# By using this file you agree to the legally binding terms of use found at # https://github.com/google-deepmind/alphafold3/blob/main/OUTPUT_TERMS_OF_USE.md. # To request access to the AlphaFold 3 model parameters, follow the process set # out at https://github.com/google-deepmind/alphafold3. You may only use these if # received directly from Google. Use is subject to terms of use available at # https://github.com/google-deepmind/alphafold3/blob/main/WEIGHTS_TERMS_OF_USE.md. data_atd1 # _entry.id atd1 # loop_ _atom_type.symbol C N O S # loop_ _audit_author.name _audit_author.pdbx_ordinal "Google DeepMind" 1 "Isomorphic Labs" 2 # _audit_conform.dict_location https://raw.githubusercontent.com/ihmwg/ModelCIF/master/dist/mmcif_ma.dic _audit_conform.dict_name mmcif_ma.dic _audit_conform.dict_version 1.4.5 # loop_ _chem_comp.formula _chem_comp.formula_weight _chem_comp.id _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_smiles _chem_comp.pdbx_synonyms _chem_comp.type "C3 H7 N O2" 89.093 ALA y ALANINE C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H15 N4 O2" 175.209 ARG y ARGININE C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N ? "L-PEPTIDE LINKING" "C4 H8 N2 O3" 132.118 ASN y ASPARAGINE C([C@@H](C(=O)O)N)C(=O)N ? "L-PEPTIDE LINKING" "C4 H7 N O4" 133.103 ASP y "ASPARTIC ACID" C([C@@H](C(=O)O)N)C(=O)O ? "L-PEPTIDE LINKING" "C5 H10 N2 O3" 146.144 GLN y GLUTAMINE C(CC(=O)N)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H9 N O4" 147.129 GLU y "GLUTAMIC ACID" C(CC(=O)O)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C2 H5 N O2" 75.067 GLY y GLYCINE C(C(=O)O)N ? "PEPTIDE LINKING" "C6 H10 N3 O2" 156.162 HIS y HISTIDINE c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H13 N O2" 131.173 ILE y ISOLEUCINE CC[C@H](C)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H13 N O2" 131.173 LEU y LEUCINE CC(C)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H15 N2 O2" 147.195 LYS y LYSINE C(CC[NH3+])C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H11 N O2 S" 149.211 MET y METHIONINE CSCC[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C9 H11 N O2" 165.189 PHE y PHENYLALANINE c1ccc(cc1)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H9 N O2" 115.130 PRO y PROLINE C1C[C@H](NC1)C(=O)O ? "L-PEPTIDE LINKING" "C3 H7 N O3" 105.093 SER y SERINE C([C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C4 H9 N O3" 119.119 THR y THREONINE C[C@H]([C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C9 H11 N O3" 181.189 TYR y TYROSINE c1cc(ccc1C[C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C5 H11 N O2" 117.146 VAL y VALINE CC(C)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" # _citation.book_publisher ? _citation.country UK _citation.id primary _citation.journal_full Nature _citation.journal_id_ASTM NATUAS _citation.journal_id_CSD 0006 _citation.journal_id_ISSN 0028-0836 _citation.journal_volume 630 _citation.page_first 493 _citation.page_last 500 _citation.pdbx_database_id_DOI 10.1038/s41586-024-07487-w _citation.pdbx_database_id_PubMed 38718835 _citation.title "Accurate structure prediction of biomolecular interactions with AlphaFold 3" _citation.year 2024 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary "Google DeepMind" 1 primary "Isomorphic Labs" 2 # _entity.id 1 _entity.pdbx_description . _entity.type polymer # _entity_poly.entity_id 1 _entity_poly.pdbx_strand_id A _entity_poly.type polypeptide(L) # loop_ _entity_poly_seq.entity_id _entity_poly_seq.hetero _entity_poly_seq.mon_id _entity_poly_seq.num 1 n MET 1 1 n GLU 2 1 n ASP 3 1 n LYS 4 1 n PRO 5 1 n GLY 6 1 n TYR 7 1 n HIS 8 1 n LEU 9 1 n ASP 10 1 n LYS 11 1 n ILE 12 1 n LYS 13 1 n LYS 14 1 n ARG 15 1 n ARG 16 1 n PHE 17 1 n GLY 18 1 n SER 19 1 n LEU 20 1 n GLY 21 1 n LYS 22 1 n ILE 23 1 n GLN 24 1 n GLU 25 1 n GLU 26 1 n VAL 27 1 n GLU 28 1 n GLU 29 1 n LEU 30 1 n VAL 31 1 n ASP 32 1 n ALA 33 1 n HIS 34 1 n ARG 35 1 n GLN 36 1 n GLY 37 1 n SER 38 1 n HIS 39 1 n VAL 40 1 n MET 41 1 n ILE 42 1 n LEU 43 1 n VAL 44 1 n GLU 45 1 n MET 46 1 n SER 47 1 n ASP 48 1 n LEU 49 1 n TYR 50 1 n GLY 51 1 n ALA 52 1 n MET 53 1 n GLN 54 1 n GLY 55 1 n PHE 56 1 n LEU 57 1 n GLU 58 1 n GLU 59 1 n ASN 60 1 n TYR 61 1 n PRO 62 1 n GLY 63 1 n PHE 64 1 n LYS 65 1 n MET 66 1 n GLU 67 1 n ASP 68 1 n LEU 69 1 n LYS 70 1 n LYS 71 1 n PHE 72 1 n SER 73 1 n GLY 74 1 n ILE 75 1 n THR 76 1 n GLN 77 1 n ARG 78 1 n ALA 79 1 n PHE 80 1 n LYS 81 1 n ASN 82 1 n GLY 83 1 n TYR 84 1 n ARG 85 1 n GLY 86 # _ma_data.content_type "model coordinates" _ma_data.id 1 _ma_data.name Model # _ma_model_list.data_id 1 _ma_model_list.model_group_id 1 _ma_model_list.model_group_name "AlphaFold-beta-20231127 (3.0.1 @ 2025-04-07 01:02:50)" _ma_model_list.model_id 1 _ma_model_list.model_name "Top ranked model" _ma_model_list.model_type "Ab initio model" _ma_model_list.ordinal_id 1 # loop_ _ma_protocol_step.method_type _ma_protocol_step.ordinal_id _ma_protocol_step.protocol_id _ma_protocol_step.step_id "coevolution MSA" 1 1 1 "template search" 2 1 2 modeling 3 1 3 # loop_ _ma_qa_metric.id _ma_qa_metric.mode _ma_qa_metric.name _ma_qa_metric.software_group_id _ma_qa_metric.type 1 global pLDDT 1 pLDDT 2 local pLDDT 1 pLDDT # _ma_qa_metric_global.metric_id 1 _ma_qa_metric_global.metric_value 87.97 _ma_qa_metric_global.model_id 1 _ma_qa_metric_global.ordinal_id 1 # loop_ _ma_qa_metric_local.label_asym_id _ma_qa_metric_local.label_comp_id _ma_qa_metric_local.label_seq_id _ma_qa_metric_local.metric_id _ma_qa_metric_local.metric_value _ma_qa_metric_local.model_id _ma_qa_metric_local.ordinal_id A MET 1 2 58.17 1 1 A GLU 2 2 58.29 1 2 A ASP 3 2 64.90 1 3 A LYS 4 2 60.60 1 4 A PRO 5 2 69.77 1 5 A GLY 6 2 75.38 1 6 A TYR 7 2 70.46 1 7 A HIS 8 2 80.06 1 8 A LEU 9 2 79.68 1 9 A ASP 10 2 79.50 1 10 A LYS 11 2 74.04 1 11 A ILE 12 2 85.55 1 12 A LYS 13 2 81.12 1 13 A LYS 14 2 84.63 1 14 A ARG 15 2 88.45 1 15 A ARG 16 2 88.21 1 16 A PHE 17 2 94.10 1 17 A GLY 18 2 97.16 1 18 A SER 19 2 97.42 1 19 A LEU 20 2 96.09 1 20 A GLY 21 2 97.59 1 21 A LYS 22 2 95.37 1 22 A ILE 23 2 97.90 1 23 A GLN 24 2 89.81 1 24 A GLU 25 2 94.43 1 25 A GLU 26 2 94.96 1 26 A VAL 27 2 96.77 1 27 A GLU 28 2 93.31 1 28 A GLU 29 2 92.92 1 29 A LEU 30 2 96.08 1 30 A VAL 31 2 95.69 1 31 A ASP 32 2 92.51 1 32 A ALA 33 2 94.85 1 33 A HIS 34 2 91.37 1 34 A ARG 35 2 84.37 1 35 A GLN 36 2 92.32 1 36 A GLY 37 2 95.22 1 37 A SER 38 2 94.06 1 38 A HIS 39 2 91.17 1 39 A VAL 40 2 96.77 1 40 A MET 41 2 93.44 1 41 A ILE 42 2 96.94 1 42 A LEU 43 2 97.18 1 43 A VAL 44 2 96.39 1 44 A GLU 45 2 94.23 1 45 A MET 46 2 95.55 1 46 A SER 47 2 95.31 1 47 A ASP 48 2 95.30 1 48 A LEU 49 2 96.89 1 49 A TYR 50 2 96.77 1 50 A GLY 51 2 98.20 1 51 A ALA 52 2 98.07 1 52 A MET 53 2 95.15 1 53 A GLN 54 2 90.74 1 54 A GLY 55 2 97.77 1 55 A PHE 56 2 97.41 1 56 A LEU 57 2 93.57 1 57 A GLU 58 2 92.41 1 58 A GLU 59 2 90.90 1 59 A ASN 60 2 94.28 1 60 A TYR 61 2 94.93 1 61 A PRO 62 2 90.00 1 62 A GLY 63 2 92.65 1 63 A PHE 64 2 94.23 1 64 A LYS 65 2 88.46 1 65 A MET 66 2 95.89 1 66 A GLU 67 2 86.74 1 67 A ASP 68 2 96.10 1 68 A LEU 69 2 95.59 1 69 A LYS 70 2 93.07 1 70 A LYS 71 2 91.00 1 71 A PHE 72 2 94.66 1 72 A SER 73 2 94.70 1 73 A GLY 74 2 96.07 1 74 A ILE 75 2 93.97 1 75 A THR 76 2 91.63 1 76 A GLN 77 2 86.77 1 77 A ARG 78 2 80.31 1 78 A ALA 79 2 84.44 1 79 A PHE 80 2 81.05 1 80 A LYS 81 2 78.73 1 81 A ASN 82 2 77.86 1 82 A GLY 83 2 74.68 1 83 A TYR 84 2 64.11 1 84 A ARG 85 2 60.50 1 85 A GLY 86 2 65.95 1 86 # _ma_software_group.group_id 1 _ma_software_group.ordinal_id 1 _ma_software_group.software_id 1 # _ma_target_entity.data_id 1 _ma_target_entity.entity_id 1 _ma_target_entity.origin . # _ma_target_entity_instance.asym_id A _ma_target_entity_instance.details . _ma_target_entity_instance.entity_id 1 # loop_ _pdbx_data_usage.details _pdbx_data_usage.id _pdbx_data_usage.type _pdbx_data_usage.url ;Non-commercial use only, by using this file you agree to the terms of use found at https://github.com/google-deepmind/alphafold3/blob/main/OUTPUT_TERMS_OF_USE.md. To request access to the AlphaFold 3 model parameters, follow the process set out at https://github.com/google-deepmind/alphafold3. You may only use these if received directly from Google. Use is subject to terms of use available at https://github.com/google-deepmind/alphafold3/blob/main/WEIGHTS_TERMS_OF_USE.md. ; 1 license https://github.com/google-deepmind/alphafold3/blob/main/OUTPUT_TERMS_OF_USE.md ;AlphaFold 3 and its output are not intended for, have not been validated for, and are not approved for clinical use. They are provided "as-is" without any warranty of any kind, whether expressed or implied. No warranty is given that use shall not infringe the rights of any third party. ; 2 disclaimer ? # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.hetero _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.seq_id A 1 1 n MET . 1 A 1 A 2 1 n GLU . 2 A 2 A 3 1 n ASP . 3 A 3 A 4 1 n LYS . 4 A 4 A 5 1 n PRO . 5 A 5 A 6 1 n GLY . 6 A 6 A 7 1 n TYR . 7 A 7 A 8 1 n HIS . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n ASP . 10 A 10 A 11 1 n LYS . 11 A 11 A 12 1 n ILE . 12 A 12 A 13 1 n LYS . 13 A 13 A 14 1 n LYS . 14 A 14 A 15 1 n ARG . 15 A 15 A 16 1 n ARG . 16 A 16 A 17 1 n PHE . 17 A 17 A 18 1 n GLY . 18 A 18 A 19 1 n SER . 19 A 19 A 20 1 n LEU . 20 A 20 A 21 1 n GLY . 21 A 21 A 22 1 n LYS . 22 A 22 A 23 1 n ILE . 23 A 23 A 24 1 n GLN . 24 A 24 A 25 1 n GLU . 25 A 25 A 26 1 n GLU . 26 A 26 A 27 1 n VAL . 27 A 27 A 28 1 n GLU . 28 A 28 A 29 1 n GLU . 29 A 29 A 30 1 n LEU . 30 A 30 A 31 1 n VAL . 31 A 31 A 32 1 n ASP . 32 A 32 A 33 1 n ALA . 33 A 33 A 34 1 n HIS . 34 A 34 A 35 1 n ARG . 35 A 35 A 36 1 n GLN . 36 A 36 A 37 1 n GLY . 37 A 37 A 38 1 n SER . 38 A 38 A 39 1 n HIS . 39 A 39 A 40 1 n VAL . 40 A 40 A 41 1 n MET . 41 A 41 A 42 1 n ILE . 42 A 42 A 43 1 n LEU . 43 A 43 A 44 1 n VAL . 44 A 44 A 45 1 n GLU . 45 A 45 A 46 1 n MET . 46 A 46 A 47 1 n SER . 47 A 47 A 48 1 n ASP . 48 A 48 A 49 1 n LEU . 49 A 49 A 50 1 n TYR . 50 A 50 A 51 1 n GLY . 51 A 51 A 52 1 n ALA . 52 A 52 A 53 1 n MET . 53 A 53 A 54 1 n GLN . 54 A 54 A 55 1 n GLY . 55 A 55 A 56 1 n PHE . 56 A 56 A 57 1 n LEU . 57 A 57 A 58 1 n GLU . 58 A 58 A 59 1 n GLU . 59 A 59 A 60 1 n ASN . 60 A 60 A 61 1 n TYR . 61 A 61 A 62 1 n PRO . 62 A 62 A 63 1 n GLY . 63 A 63 A 64 1 n PHE . 64 A 64 A 65 1 n LYS . 65 A 65 A 66 1 n MET . 66 A 66 A 67 1 n GLU . 67 A 67 A 68 1 n ASP . 68 A 68 A 69 1 n LEU . 69 A 69 A 70 1 n LYS . 70 A 70 A 71 1 n LYS . 71 A 71 A 72 1 n PHE . 72 A 72 A 73 1 n SER . 73 A 73 A 74 1 n GLY . 74 A 74 A 75 1 n ILE . 75 A 75 A 76 1 n THR . 76 A 76 A 77 1 n GLN . 77 A 77 A 78 1 n ARG . 78 A 78 A 79 1 n ALA . 79 A 79 A 80 1 n PHE . 80 A 80 A 81 1 n LYS . 81 A 81 A 82 1 n ASN . 82 A 82 A 83 1 n GLY . 83 A 83 A 84 1 n TYR . 84 A 84 A 85 1 n ARG . 85 A 85 A 86 1 n GLY . 86 A 86 # _software.classification other _software.date ? _software.description "Structure prediction" _software.name AlphaFold _software.pdbx_ordinal 1 _software.type package _software.version "AlphaFold-beta-20231127 (fa08f1a239cfd4fd49a5c37bef32bd41139da97e359ba389d3209450484ef018)" # _struct_asym.entity_id 1 _struct_asym.id A # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.auth_seq_id _atom_site.auth_asym_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . MET A 1 1 ? -7.634 30.560 -10.530 1.00 56.01 1 A 1 ATOM 2 C CA . MET A 1 1 ? -8.310 29.918 -9.388 1.00 66.46 1 A 1 ATOM 3 C C . MET A 1 1 ? -7.229 29.175 -8.625 1.00 68.78 1 A 1 ATOM 4 O O . MET A 1 1 ? -6.580 28.333 -9.227 1.00 65.35 1 A 1 ATOM 5 C CB . MET A 1 1 ? -9.411 28.950 -9.848 1.00 63.49 1 A 1 ATOM 6 C CG . MET A 1 1 ? -10.705 29.686 -10.239 1.00 56.53 1 A 1 ATOM 7 S SD . MET A 1 1 ? -11.936 28.626 -11.044 1.00 48.43 1 A 1 ATOM 8 C CE . MET A 1 1 ? -13.375 29.717 -11.058 1.00 40.34 1 A 1 ATOM 9 N N . GLU A 1 2 ? -6.950 29.566 -7.382 1.00 61.26 2 A 1 ATOM 10 C CA . GLU A 1 2 ? -6.103 28.750 -6.511 1.00 66.61 2 A 1 ATOM 11 C C . GLU A 1 2 ? -6.808 27.403 -6.336 1.00 66.19 2 A 1 ATOM 12 O O . GLU A 1 2 ? -7.981 27.364 -5.935 1.00 62.27 2 A 1 ATOM 13 C CB . GLU A 1 2 ? -5.886 29.450 -5.161 1.00 64.14 2 A 1 ATOM 14 C CG . GLU A 1 2 ? -4.931 30.654 -5.292 1.00 56.31 2 A 1 ATOM 15 C CD . GLU A 1 2 ? -4.741 31.442 -3.987 1.00 50.73 2 A 1 ATOM 16 O OE1 . GLU A 1 2 ? -3.703 32.131 -3.891 1.00 46.52 2 A 1 ATOM 17 O OE2 . GLU A 1 2 ? -5.662 31.406 -3.142 1.00 50.58 2 A 1 ATOM 18 N N . ASP A 1 3 ? -6.138 26.297 -6.733 1.00 69.80 3 A 1 ATOM 19 C CA . ASP A 1 3 ? -6.595 24.946 -6.435 1.00 73.13 3 A 1 ATOM 20 C C . ASP A 1 3 ? -6.758 24.863 -4.915 1.00 73.71 3 A 1 ATOM 21 O O . ASP A 1 3 ? -5.768 24.886 -4.181 1.00 67.97 3 A 1 ATOM 22 C CB . ASP A 1 3 ? -5.567 23.894 -6.897 1.00 67.23 3 A 1 ATOM 23 C CG . ASP A 1 3 ? -5.675 23.456 -8.364 1.00 58.63 3 A 1 ATOM 24 O OD1 . ASP A 1 3 ? -6.814 23.400 -8.889 1.00 53.89 3 A 1 ATOM 25 O OD2 . ASP A 1 3 ? -4.590 23.155 -8.933 1.00 54.84 3 A 1 ATOM 26 N N . LYS A 1 4 ? -7.994 24.820 -4.425 1.00 67.14 4 A 1 ATOM 27 C CA . LYS A 1 4 ? -8.246 24.564 -3.008 1.00 69.65 4 A 1 ATOM 28 C C . LYS A 1 4 ? -7.695 23.168 -2.707 1.00 70.37 4 A 1 ATOM 29 O O . LYS A 1 4 ? -8.157 22.222 -3.355 1.00 64.88 4 A 1 ATOM 30 C CB . LYS A 1 4 ? -9.742 24.661 -2.675 1.00 65.06 4 A 1 ATOM 31 C CG . LYS A 1 4 ? -10.256 26.104 -2.777 1.00 61.23 4 A 1 ATOM 32 C CD . LYS A 1 4 ? -11.731 26.182 -2.361 1.00 55.43 4 A 1 ATOM 33 C CE . LYS A 1 4 ? -12.225 27.627 -2.470 1.00 50.68 4 A 1 ATOM 34 N NZ . LYS A 1 4 ? -13.642 27.747 -2.056 1.00 40.92 4 A 1 ATOM 35 N N . PRO A 1 5 ? -6.723 23.019 -1.792 1.00 70.13 5 A 1 ATOM 36 C CA . PRO A 1 5 ? -6.219 21.705 -1.438 1.00 72.62 5 A 1 ATOM 37 C C . PRO A 1 5 ? -7.386 20.843 -0.936 1.00 74.21 5 A 1 ATOM 38 O O . PRO A 1 5 ? -8.259 21.316 -0.201 1.00 67.65 5 A 1 ATOM 39 C CB . PRO A 1 5 ? -5.123 21.938 -0.388 1.00 67.48 5 A 1 ATOM 40 C CG . PRO A 1 5 ? -5.452 23.311 0.193 1.00 65.10 5 A 1 ATOM 41 C CD . PRO A 1 5 ? -6.115 24.053 -0.960 1.00 71.19 5 A 1 ATOM 42 N N . GLY A 1 6 ? -7.438 19.586 -1.404 1.00 74.59 6 A 1 ATOM 43 C CA . GLY A 1 6 ? -8.324 18.562 -0.847 1.00 75.36 6 A 1 ATOM 44 C C . GLY A 1 6 ? -7.818 18.117 0.530 1.00 77.97 6 A 1 ATOM 45 O O . GLY A 1 6 ? -7.381 18.935 1.337 1.00 73.59 6 A 1 ATOM 46 N N . TYR A 1 7 ? -7.849 16.814 0.802 1.00 80.49 7 A 1 ATOM 47 C CA . TYR A 1 7 ? -7.275 16.284 2.041 1.00 83.26 7 A 1 ATOM 48 C C . TYR A 1 7 ? -5.746 16.414 2.076 1.00 85.48 7 A 1 ATOM 49 O O . TYR A 1 7 ? -5.188 16.734 3.121 1.00 80.76 7 A 1 ATOM 50 C CB . TYR A 1 7 ? -7.717 14.826 2.223 1.00 78.05 7 A 1 ATOM 51 C CG . TYR A 1 7 ? -9.221 14.652 2.359 1.00 73.65 7 A 1 ATOM 52 C CD1 . TYR A 1 7 ? -9.889 15.192 3.479 1.00 66.22 7 A 1 ATOM 53 C CD2 . TYR A 1 7 ? -9.954 13.954 1.376 1.00 64.22 7 A 1 ATOM 54 C CE1 . TYR A 1 7 ? -11.281 15.042 3.612 1.00 59.37 7 A 1 ATOM 55 C CE2 . TYR A 1 7 ? -11.350 13.802 1.508 1.00 60.30 7 A 1 ATOM 56 C CZ . TYR A 1 7 ? -12.014 14.346 2.628 1.00 57.49 7 A 1 ATOM 57 O OH . TYR A 1 7 ? -13.361 14.196 2.754 1.00 56.29 7 A 1 ATOM 58 N N . HIS A 1 8 ? -5.087 16.228 0.918 1.00 81.72 8 A 1 ATOM 59 C CA . HIS A 1 8 ? -3.639 16.365 0.784 1.00 83.97 8 A 1 ATOM 60 C C . HIS A 1 8 ? -3.235 17.809 0.471 1.00 83.92 8 A 1 ATOM 61 O O . HIS A 1 8 ? -3.884 18.496 -0.323 1.00 80.30 8 A 1 ATOM 62 C CB . HIS A 1 8 ? -3.118 15.382 -0.267 1.00 81.84 8 A 1 ATOM 63 C CG . HIS A 1 8 ? -3.375 13.960 0.149 1.00 83.26 8 A 1 ATOM 64 N ND1 . HIS A 1 8 ? -2.771 13.311 1.211 1.00 75.24 8 A 1 ATOM 65 C CD2 . HIS A 1 8 ? -4.324 13.118 -0.372 1.00 73.80 8 A 1 ATOM 66 C CE1 . HIS A 1 8 ? -3.349 12.104 1.324 1.00 77.57 8 A 1 ATOM 67 N NE2 . HIS A 1 8 ? -4.298 11.950 0.387 1.00 79.01 8 A 1 ATOM 68 N N . LEU A 1 9 ? -2.161 18.264 1.113 1.00 81.62 9 A 1 ATOM 69 C CA . LEU A 1 9 ? -1.552 19.576 0.875 1.00 81.89 9 A 1 ATOM 70 C C . LEU A 1 9 ? -0.603 19.542 -0.327 1.00 82.72 9 A 1 ATOM 71 O O . LEU A 1 9 ? -0.439 20.551 -1.020 1.00 79.08 9 A 1 ATOM 72 C CB . LEU A 1 9 ? -0.801 20.031 2.139 1.00 80.82 9 A 1 ATOM 73 C CG . LEU A 1 9 ? -1.676 20.189 3.395 1.00 78.76 9 A 1 ATOM 74 C CD1 . LEU A 1 9 ? -0.797 20.616 4.571 1.00 75.44 9 A 1 ATOM 75 C CD2 . LEU A 1 9 ? -2.776 21.241 3.213 1.00 77.12 9 A 1 ATOM 76 N N . ASP A 1 10 ? 0.011 18.382 -0.586 1.00 82.66 10 A 1 ATOM 77 C CA . ASP A 1 10 ? 0.897 18.181 -1.728 1.00 81.96 10 A 1 ATOM 78 C C . ASP A 1 10 ? 0.116 17.859 -3.008 1.00 83.37 10 A 1 ATOM 79 O O . ASP A 1 10 ? -0.926 17.203 -3.006 1.00 81.30 10 A 1 ATOM 80 C CB . ASP A 1 10 ? 1.946 17.099 -1.420 1.00 79.92 10 A 1 ATOM 81 C CG . ASP A 1 10 ? 3.015 17.586 -0.439 1.00 78.48 10 A 1 ATOM 82 O OD1 . ASP A 1 10 ? 3.280 18.814 -0.372 1.00 73.56 10 A 1 ATOM 83 O OD2 . ASP A 1 10 ? 3.606 16.769 0.290 1.00 74.79 10 A 1 ATOM 84 N N . LYS A 1 11 ? 0.654 18.296 -4.152 1.00 83.84 11 A 1 ATOM 85 C CA . LYS A 1 11 ? 0.130 17.912 -5.467 1.00 84.58 11 A 1 ATOM 86 C C . LYS A 1 11 ? 0.607 16.505 -5.824 1.00 86.49 11 A 1 ATOM 87 O O . LYS A 1 11 ? 1.655 16.334 -6.448 1.00 84.07 11 A 1 ATOM 88 C CB . LYS A 1 11 ? 0.498 18.947 -6.542 1.00 82.51 11 A 1 ATOM 89 C CG . LYS A 1 11 ? -0.228 20.282 -6.314 1.00 72.93 11 A 1 ATOM 90 C CD . LYS A 1 11 ? -0.107 21.215 -7.525 1.00 66.30 11 A 1 ATOM 91 C CE . LYS A 1 11 ? -0.915 22.484 -7.231 1.00 57.82 11 A 1 ATOM 92 N NZ . LYS A 1 11 ? -1.227 23.282 -8.446 1.00 47.78 11 A 1 ATOM 93 N N . ILE A 1 12 ? -0.186 15.499 -5.473 1.00 84.85 12 A 1 ATOM 94 C CA . ILE A 1 12 ? 0.115 14.090 -5.728 1.00 85.85 12 A 1 ATOM 95 C C . ILE A 1 12 ? -0.491 13.668 -7.071 1.00 87.00 12 A 1 ATOM 96 O O . ILE A 1 12 ? -1.668 13.892 -7.367 1.00 86.30 12 A 1 ATOM 97 C CB . ILE A 1 12 ? -0.341 13.218 -4.536 1.00 85.83 12 A 1 ATOM 98 C CG1 . ILE A 1 12 ? 0.413 13.655 -3.256 1.00 86.12 12 A 1 ATOM 99 C CG2 . ILE A 1 12 ? -0.083 11.734 -4.839 1.00 85.83 12 A 1 ATOM 100 C CD1 . ILE A 1 12 ? -0.234 13.178 -1.967 1.00 82.58 12 A 1 ATOM 101 N N . LYS A 1 13 ? 0.340 13.065 -7.925 1.00 87.87 13 A 1 ATOM 102 C CA . LYS A 1 13 ? -0.085 12.588 -9.244 1.00 89.18 13 A 1 ATOM 103 C C . LYS A 1 13 ? -0.880 11.295 -9.100 1.00 91.24 13 A 1 ATOM 104 O O . LYS A 1 13 ? -0.310 10.278 -8.704 1.00 89.95 13 A 1 ATOM 105 C CB . LYS A 1 13 ? 1.143 12.410 -10.147 1.00 87.54 13 A 1 ATOM 106 C CG . LYS A 1 13 ? 0.750 11.933 -11.555 1.00 80.56 13 A 1 ATOM 107 C CD . LYS A 1 13 ? 1.994 11.760 -12.431 1.00 76.58 13 A 1 ATOM 108 C CE . LYS A 1 13 ? 1.585 11.227 -13.807 1.00 68.13 13 A 1 ATOM 109 N NZ . LYS A 1 13 ? 2.763 11.047 -14.687 1.00 59.04 13 A 1 ATOM 110 N N . LYS A 1 14 ? -2.139 11.297 -9.540 1.00 93.76 14 A 1 ATOM 111 C CA . LYS A 1 14 ? -2.969 10.079 -9.615 1.00 94.23 14 A 1 ATOM 112 C C . LYS A 1 14 ? -2.445 9.098 -10.673 1.00 95.81 14 A 1 ATOM 113 O O . LYS A 1 14 ? -2.008 9.500 -11.758 1.00 94.43 14 A 1 ATOM 114 C CB . LYS A 1 14 ? -4.447 10.444 -9.832 1.00 91.79 14 A 1 ATOM 115 C CG . LYS A 1 14 ? -5.059 11.292 -8.696 1.00 84.90 14 A 1 ATOM 116 C CD . LYS A 1 14 ? -4.982 10.619 -7.310 1.00 76.34 14 A 1 ATOM 117 C CE . LYS A 1 14 ? -5.568 11.448 -6.171 1.00 70.03 14 A 1 ATOM 118 N NZ . LYS A 1 14 ? -5.324 10.803 -4.845 1.00 60.38 14 A 1 ATOM 119 N N . ARG A 1 15 ? -2.472 7.803 -10.334 1.00 94.79 15 A 1 ATOM 120 C CA . ARG A 1 15 ? -1.928 6.705 -11.143 1.00 95.60 15 A 1 ATOM 121 C C . ARG A 1 15 ? -2.903 5.526 -11.214 1.00 96.36 15 A 1 ATOM 122 O O . ARG A 1 15 ? -3.837 5.407 -10.425 1.00 95.33 15 A 1 ATOM 123 C CB . ARG A 1 15 ? -0.546 6.302 -10.592 1.00 95.18 15 A 1 ATOM 124 C CG . ARG A 1 15 ? 0.462 7.478 -10.590 1.00 93.89 15 A 1 ATOM 125 C CD . ARG A 1 15 ? 1.745 7.099 -9.887 1.00 90.34 15 A 1 ATOM 126 N NE . ARG A 1 15 ? 2.756 8.168 -9.845 1.00 85.34 15 A 1 ATOM 127 C CZ . ARG A 1 15 ? 3.034 8.963 -8.814 1.00 78.82 15 A 1 ATOM 128 N NH1 . ARG A 1 15 ? 2.285 9.060 -7.758 1.00 73.50 15 A 1 ATOM 129 N NH2 . ARG A 1 15 ? 4.113 9.690 -8.801 1.00 73.75 15 A 1 ATOM 130 N N . ARG A 1 16 ? -2.725 4.670 -12.221 1.00 96.47 16 A 1 ATOM 131 C CA . ARG A 1 16 ? -3.616 3.534 -12.472 1.00 96.89 16 A 1 ATOM 132 C C . ARG A 1 16 ? -3.485 2.477 -11.377 1.00 97.36 16 A 1 ATOM 133 O O . ARG A 1 16 ? -2.368 2.069 -11.061 1.00 96.87 16 A 1 ATOM 134 C CB . ARG A 1 16 ? -3.305 2.950 -13.859 1.00 96.22 16 A 1 ATOM 135 C CG . ARG A 1 16 ? -4.308 1.874 -14.277 1.00 92.64 16 A 1 ATOM 136 C CD . ARG A 1 16 ? -3.931 1.220 -15.607 1.00 89.64 16 A 1 ATOM 137 N NE . ARG A 1 16 ? -2.666 0.459 -15.523 1.00 83.77 16 A 1 ATOM 138 C CZ . ARG A 1 16 ? -2.514 -0.792 -15.110 1.00 78.71 16 A 1 ATOM 139 N NH1 . ARG A 1 16 ? -3.484 -1.508 -14.629 1.00 69.64 16 A 1 ATOM 140 N NH2 . ARG A 1 16 ? -1.352 -1.373 -15.189 1.00 72.09 16 A 1 ATOM 141 N N . PHE A 1 17 ? -4.605 1.987 -10.861 1.00 96.91 17 A 1 ATOM 142 C CA . PHE A 1 17 ? -4.645 0.814 -9.976 1.00 97.05 17 A 1 ATOM 143 C C . PHE A 1 17 ? -4.013 -0.417 -10.658 1.00 97.24 17 A 1 ATOM 144 O O . PHE A 1 17 ? -4.061 -0.540 -11.881 1.00 96.44 17 A 1 ATOM 145 C CB . PHE A 1 17 ? -6.097 0.543 -9.556 1.00 96.37 17 A 1 ATOM 146 C CG . PHE A 1 17 ? -6.213 -0.522 -8.487 1.00 95.23 17 A 1 ATOM 147 C CD1 . PHE A 1 17 ? -6.564 -1.842 -8.831 1.00 91.89 17 A 1 ATOM 148 C CD2 . PHE A 1 17 ? -5.943 -0.203 -7.144 1.00 92.11 17 A 1 ATOM 149 C CE1 . PHE A 1 17 ? -6.651 -2.831 -7.836 1.00 90.02 17 A 1 ATOM 150 C CE2 . PHE A 1 17 ? -6.028 -1.192 -6.149 1.00 90.17 17 A 1 ATOM 151 C CZ . PHE A 1 17 ? -6.385 -2.506 -6.496 1.00 91.67 17 A 1 ATOM 152 N N . GLY A 1 18 ? -3.363 -1.282 -9.885 1.00 97.24 18 A 1 ATOM 153 C CA . GLY A 1 18 ? -2.585 -2.425 -10.388 1.00 97.05 18 A 1 ATOM 154 C C . GLY A 1 18 ? -1.193 -2.077 -10.935 1.00 97.51 18 A 1 ATOM 155 O O . GLY A 1 18 ? -0.388 -2.963 -11.205 1.00 96.84 18 A 1 ATOM 156 N N . SER A 1 19 ? -0.860 -0.786 -11.089 1.00 97.44 19 A 1 ATOM 157 C CA . SER A 1 19 ? 0.478 -0.361 -11.515 1.00 97.62 19 A 1 ATOM 158 C C . SER A 1 19 ? 1.417 -0.139 -10.326 1.00 97.93 19 A 1 ATOM 159 O O . SER A 1 19 ? 0.981 0.252 -9.246 1.00 97.77 19 A 1 ATOM 160 C CB . SER A 1 19 ? 0.404 0.893 -12.395 1.00 97.35 19 A 1 ATOM 161 O OG . SER A 1 19 ? 0.103 2.062 -11.659 1.00 96.39 19 A 1 ATOM 162 N N . LEU A 1 20 ? 2.731 -0.267 -10.546 1.00 97.54 20 A 1 ATOM 163 C CA . LEU A 1 20 ? 3.747 0.154 -9.565 1.00 97.68 20 A 1 ATOM 164 C C . LEU A 1 20 ? 3.599 1.637 -9.188 1.00 98.02 20 A 1 ATOM 165 O O . LEU A 1 20 ? 3.832 2.023 -8.046 1.00 97.82 20 A 1 ATOM 166 C CB . LEU A 1 20 ? 5.139 -0.122 -10.167 1.00 97.20 20 A 1 ATOM 167 C CG . LEU A 1 20 ? 6.315 0.208 -9.225 1.00 95.20 20 A 1 ATOM 168 C CD1 . LEU A 1 20 ? 6.299 -0.661 -7.966 1.00 92.64 20 A 1 ATOM 169 C CD2 . LEU A 1 20 ? 7.638 -0.030 -9.953 1.00 92.60 20 A 1 ATOM 170 N N . GLY A 1 21 ? 3.161 2.461 -10.153 1.00 97.44 21 A 1 ATOM 171 C CA . GLY A 1 21 ? 2.879 3.868 -9.917 1.00 97.42 21 A 1 ATOM 172 C C . GLY A 1 21 ? 1.801 4.098 -8.859 1.00 97.86 21 A 1 ATOM 173 O O . GLY A 1 21 ? 1.923 5.061 -8.115 1.00 97.63 21 A 1 ATOM 174 N N . LYS A 1 22 ? 0.784 3.224 -8.736 1.00 97.78 22 A 1 ATOM 175 C CA . LYS A 1 22 ? -0.240 3.365 -7.691 1.00 97.90 22 A 1 ATOM 176 C C . LYS A 1 22 ? 0.352 3.144 -6.302 1.00 98.06 22 A 1 ATOM 177 O O . LYS A 1 22 ? 0.080 3.932 -5.418 1.00 97.92 22 A 1 ATOM 178 C CB . LYS A 1 22 ? -1.438 2.451 -7.980 1.00 97.70 22 A 1 ATOM 179 C CG . LYS A 1 22 ? -2.639 2.649 -7.036 1.00 96.32 22 A 1 ATOM 180 C CD . LYS A 1 22 ? -3.139 4.106 -6.958 1.00 94.30 22 A 1 ATOM 181 C CE . LYS A 1 22 ? -4.489 4.217 -6.245 1.00 91.15 22 A 1 ATOM 182 N NZ . LYS A 1 22 ? -4.776 5.611 -5.807 1.00 87.22 22 A 1 ATOM 183 N N . ILE A 1 23 ? 1.240 2.168 -6.131 1.00 98.12 23 A 1 ATOM 184 C CA . ILE A 1 23 ? 1.981 1.987 -4.866 1.00 98.16 23 A 1 ATOM 185 C C . ILE A 1 23 ? 2.757 3.262 -4.509 1.00 98.03 23 A 1 ATOM 186 O O . ILE A 1 23 ? 2.757 3.689 -3.362 1.00 97.74 23 A 1 ATOM 187 C CB . ILE A 1 23 ? 2.932 0.770 -4.963 1.00 98.21 23 A 1 ATOM 188 C CG1 . ILE A 1 23 ? 2.118 -0.529 -5.181 1.00 97.90 23 A 1 ATOM 189 C CG2 . ILE A 1 23 ? 3.830 0.654 -3.718 1.00 97.86 23 A 1 ATOM 190 C CD1 . ILE A 1 23 ? 2.967 -1.782 -5.397 1.00 97.16 23 A 1 ATOM 191 N N . GLN A 1 24 ? 3.413 3.890 -5.492 1.00 97.62 24 A 1 ATOM 192 C CA . GLN A 1 24 ? 4.119 5.153 -5.275 1.00 97.48 24 A 1 ATOM 193 C C . GLN A 1 24 ? 3.162 6.290 -4.876 1.00 97.31 24 A 1 ATOM 194 O O . GLN A 1 24 ? 3.527 7.091 -4.023 1.00 97.02 24 A 1 ATOM 195 C CB . GLN A 1 24 ? 4.919 5.504 -6.535 1.00 97.07 24 A 1 ATOM 196 C CG . GLN A 1 24 ? 5.758 6.775 -6.320 1.00 87.52 24 A 1 ATOM 197 C CD . GLN A 1 24 ? 6.491 7.246 -7.568 1.00 84.38 24 A 1 ATOM 198 O OE1 . GLN A 1 24 ? 6.632 6.566 -8.574 1.00 76.92 24 A 1 ATOM 199 N NE2 . GLN A 1 24 ? 6.969 8.475 -7.544 1.00 73.00 24 A 1 ATOM 200 N N . GLU A 1 25 ? 1.975 6.381 -5.488 1.00 96.89 25 A 1 ATOM 201 C CA . GLU A 1 25 ? 0.949 7.375 -5.139 1.00 96.68 25 A 1 ATOM 202 C C . GLU A 1 25 ? 0.555 7.257 -3.661 1.00 96.81 25 A 1 ATOM 203 O O . GLU A 1 25 ? 0.707 8.240 -2.942 1.00 96.26 25 A 1 ATOM 204 C CB . GLU A 1 25 ? -0.246 7.214 -6.085 1.00 95.81 25 A 1 ATOM 205 C CG . GLU A 1 25 ? -1.423 8.168 -5.831 1.00 93.63 25 A 1 ATOM 206 C CD . GLU A 1 25 ? -2.595 7.888 -6.797 1.00 94.60 25 A 1 ATOM 207 O OE1 . GLU A 1 25 ? -3.757 8.206 -6.472 1.00 88.60 25 A 1 ATOM 208 O OE2 . GLU A 1 25 ? -2.376 7.351 -7.915 1.00 90.60 25 A 1 ATOM 209 N N . GLU A 1 26 ? 0.201 6.060 -3.186 1.00 96.52 26 A 1 ATOM 210 C CA . GLU A 1 26 ? -0.186 5.861 -1.778 1.00 96.68 26 A 1 ATOM 211 C C . GLU A 1 26 ? 0.955 6.190 -0.805 1.00 96.90 26 A 1 ATOM 212 O O . GLU A 1 26 ? 0.745 6.728 0.278 1.00 96.51 26 A 1 ATOM 213 C CB . GLU A 1 26 ? -0.621 4.405 -1.524 1.00 96.69 26 A 1 ATOM 214 C CG . GLU A 1 26 ? -1.728 3.846 -2.421 1.00 94.90 26 A 1 ATOM 215 C CD . GLU A 1 26 ? -2.884 4.799 -2.692 1.00 95.51 26 A 1 ATOM 216 O OE1 . GLU A 1 26 ? -3.331 4.792 -3.871 1.00 89.91 26 A 1 ATOM 217 O OE2 . GLU A 1 26 ? -3.320 5.497 -1.802 1.00 91.03 26 A 1 ATOM 218 N N . VAL A 1 27 ? 2.214 5.906 -1.186 1.00 97.12 27 A 1 ATOM 219 C CA . VAL A 1 27 ? 3.379 6.303 -0.374 1.00 97.28 27 A 1 ATOM 220 C C . VAL A 1 27 ? 3.515 7.828 -0.315 1.00 96.92 27 A 1 ATOM 221 O O . VAL A 1 27 ? 3.832 8.362 0.747 1.00 96.48 27 A 1 ATOM 222 C CB . VAL A 1 27 ? 4.672 5.648 -0.897 1.00 97.37 27 A 1 ATOM 223 C CG1 . VAL A 1 27 ? 5.940 6.206 -0.226 1.00 96.10 27 A 1 ATOM 224 C CG2 . VAL A 1 27 ? 4.659 4.137 -0.628 1.00 96.13 27 A 1 ATOM 225 N N . GLU A 1 28 ? 3.296 8.537 -1.422 1.00 96.25 28 A 1 ATOM 226 C CA . GLU A 1 28 ? 3.311 10.004 -1.461 1.00 96.06 28 A 1 ATOM 227 C C . GLU A 1 28 ? 2.180 10.588 -0.587 1.00 95.88 28 A 1 ATOM 228 O O . GLU A 1 28 ? 2.426 11.529 0.173 1.00 95.19 28 A 1 ATOM 229 C CB . GLU A 1 28 ? 3.224 10.490 -2.930 1.00 95.86 28 A 1 ATOM 230 C CG . GLU A 1 28 ? 4.521 10.267 -3.752 1.00 94.44 28 A 1 ATOM 231 C CD . GLU A 1 28 ? 4.369 10.412 -5.297 1.00 93.08 28 A 1 ATOM 232 O OE1 . GLU A 1 28 ? 5.300 10.012 -6.049 1.00 86.12 28 A 1 ATOM 233 O OE2 . GLU A 1 28 ? 3.330 10.859 -5.833 1.00 86.87 28 A 1 ATOM 234 N N . GLU A 1 29 ? 0.978 9.995 -0.626 1.00 95.88 29 A 1 ATOM 235 C CA . GLU A 1 29 ? -0.178 10.377 0.204 1.00 95.95 29 A 1 ATOM 236 C C . GLU A 1 29 ? 0.079 10.097 1.699 1.00 96.17 29 A 1 ATOM 237 O O . GLU A 1 29 ? -0.135 10.973 2.549 1.00 95.64 29 A 1 ATOM 238 C CB . GLU A 1 29 ? -1.472 9.696 -0.326 1.00 95.70 29 A 1 ATOM 239 C CG . GLU A 1 29 ? -1.843 10.247 -1.713 1.00 94.04 29 A 1 ATOM 240 C CD . GLU A 1 29 ? -3.140 9.765 -2.384 1.00 92.97 29 A 1 ATOM 241 O OE1 . GLU A 1 29 ? -3.882 10.646 -2.907 1.00 84.85 29 A 1 ATOM 242 O OE2 . GLU A 1 29 ? -3.344 8.567 -2.597 1.00 85.10 29 A 1 ATOM 243 N N . LEU A 1 30 ? 0.672 8.948 2.028 1.00 96.21 30 A 1 ATOM 244 C CA . LEU A 1 30 ? 1.080 8.592 3.393 1.00 96.73 30 A 1 ATOM 245 C C . LEU A 1 30 ? 2.122 9.568 3.968 1.00 96.71 30 A 1 ATOM 246 O O . LEU A 1 30 ? 2.040 9.950 5.139 1.00 96.66 30 A 1 ATOM 247 C CB . LEU A 1 30 ? 1.608 7.144 3.368 1.00 97.16 30 A 1 ATOM 248 C CG . LEU A 1 30 ? 2.140 6.632 4.719 1.00 96.13 30 A 1 ATOM 249 C CD1 . LEU A 1 30 ? 1.075 6.645 5.815 1.00 94.47 30 A 1 ATOM 250 C CD2 . LEU A 1 30 ? 2.632 5.189 4.566 1.00 94.56 30 A 1 ATOM 251 N N . VAL A 1 31 ? 3.103 9.979 3.161 1.00 96.25 31 A 1 ATOM 252 C CA . VAL A 1 31 ? 4.118 10.968 3.574 1.00 96.14 31 A 1 ATOM 253 C C . VAL A 1 31 ? 3.472 12.322 3.874 1.00 96.06 31 A 1 ATOM 254 O O . VAL A 1 31 ? 3.808 12.943 4.887 1.00 95.62 31 A 1 ATOM 255 C CB . VAL A 1 31 ? 5.231 11.086 2.510 1.00 96.02 31 A 1 ATOM 256 C CG1 . VAL A 1 31 ? 6.147 12.308 2.720 1.00 94.86 31 A 1 ATOM 257 C CG2 . VAL A 1 31 ? 6.140 9.847 2.546 1.00 94.88 31 A 1 ATOM 258 N N . ASP A 1 32 ? 2.533 12.777 3.039 1.00 95.91 32 A 1 ATOM 259 C CA . ASP A 1 32 ? 1.781 14.009 3.284 1.00 95.27 32 A 1 ATOM 260 C C . ASP A 1 32 ? 0.937 13.911 4.566 1.00 95.60 32 A 1 ATOM 261 O O . ASP A 1 32 ? 1.031 14.775 5.443 1.00 95.48 32 A 1 ATOM 262 C CB . ASP A 1 32 ? 0.921 14.340 2.056 1.00 94.08 32 A 1 ATOM 263 C CG . ASP A 1 32 ? 0.108 15.621 2.295 1.00 92.00 32 A 1 ATOM 264 O OD1 . ASP A 1 32 ? 0.699 16.721 2.256 1.00 86.29 32 A 1 ATOM 265 O OD2 . ASP A 1 32 ? -1.107 15.516 2.571 1.00 85.42 32 A 1 ATOM 266 N N . ALA A 1 33 ? 0.190 12.810 4.751 1.00 94.86 33 A 1 ATOM 267 C CA . ALA A 1 33 ? -0.605 12.561 5.956 1.00 94.69 33 A 1 ATOM 268 C C . ALA A 1 33 ? 0.254 12.564 7.231 1.00 95.12 33 A 1 ATOM 269 O O . ALA A 1 33 ? -0.129 13.143 8.254 1.00 94.94 33 A 1 ATOM 270 C CB . ALA A 1 33 ? -1.322 11.214 5.777 1.00 94.66 33 A 1 ATOM 271 N N . HIS A 1 34 ? 1.447 11.962 7.170 1.00 95.30 34 A 1 ATOM 272 C CA . HIS A 1 34 ? 2.411 11.967 8.271 1.00 95.51 34 A 1 ATOM 273 C C . HIS A 1 34 ? 2.925 13.381 8.572 1.00 95.60 34 A 1 ATOM 274 O O . HIS A 1 34 ? 2.993 13.773 9.739 1.00 95.26 34 A 1 ATOM 275 C CB . HIS A 1 34 ? 3.558 11.000 7.944 1.00 95.78 34 A 1 ATOM 276 C CG . HIS A 1 34 ? 4.577 10.913 9.051 1.00 94.28 34 A 1 ATOM 277 N ND1 . HIS A 1 34 ? 5.638 11.767 9.237 1.00 81.84 34 A 1 ATOM 278 C CD2 . HIS A 1 34 ? 4.598 10.014 10.084 1.00 84.11 34 A 1 ATOM 279 C CE1 . HIS A 1 34 ? 6.281 11.394 10.359 1.00 86.83 34 A 1 ATOM 280 N NE2 . HIS A 1 34 ? 5.682 10.326 10.908 1.00 89.15 34 A 1 ATOM 281 N N . ARG A 1 35 ? 3.247 14.174 7.544 1.00 95.84 35 A 1 ATOM 282 C CA . ARG A 1 35 ? 3.676 15.573 7.712 1.00 95.54 35 A 1 ATOM 283 C C . ARG A 1 35 ? 2.583 16.435 8.351 1.00 95.82 35 A 1 ATOM 284 O O . ARG A 1 35 ? 2.894 17.296 9.168 1.00 95.06 35 A 1 ATOM 285 C CB . ARG A 1 35 ? 4.104 16.135 6.346 1.00 94.75 35 A 1 ATOM 286 C CG . ARG A 1 35 ? 4.696 17.549 6.470 1.00 88.76 35 A 1 ATOM 287 C CD . ARG A 1 35 ? 5.042 18.136 5.099 1.00 86.29 35 A 1 ATOM 288 N NE . ARG A 1 35 ? 3.819 18.373 4.306 1.00 76.81 35 A 1 ATOM 289 C CZ . ARG A 1 35 ? 3.760 18.593 3.005 1.00 71.75 35 A 1 ATOM 290 N NH1 . ARG A 1 35 ? 4.814 18.744 2.269 1.00 64.90 35 A 1 ATOM 291 N NH2 . ARG A 1 35 ? 2.613 18.649 2.412 1.00 62.52 35 A 1 ATOM 292 N N . GLN A 1 36 ? 1.317 16.188 8.011 1.00 94.85 36 A 1 ATOM 293 C CA . GLN A 1 36 ? 0.161 16.854 8.624 1.00 94.59 36 A 1 ATOM 294 C C . GLN A 1 36 ? -0.105 16.396 10.072 1.00 95.14 36 A 1 ATOM 295 O O . GLN A 1 36 ? -0.886 17.029 10.786 1.00 94.42 36 A 1 ATOM 296 C CB . GLN A 1 36 ? -1.082 16.634 7.748 1.00 93.81 36 A 1 ATOM 297 C CG . GLN A 1 36 ? -0.995 17.313 6.367 1.00 92.02 36 A 1 ATOM 298 C CD . GLN A 1 36 ? -2.324 17.239 5.632 1.00 92.34 36 A 1 ATOM 299 O OE1 . GLN A 1 36 ? -3.347 17.670 6.149 1.00 87.56 36 A 1 ATOM 300 N NE2 . GLN A 1 36 ? -2.377 16.710 4.437 1.00 86.15 36 A 1 ATOM 301 N N . GLY A 1 37 ? 0.519 15.309 10.535 1.00 95.50 37 A 1 ATOM 302 C CA . GLY A 1 37 ? 0.295 14.750 11.874 1.00 95.32 37 A 1 ATOM 303 C C . GLY A 1 37 ? -1.092 14.125 12.064 1.00 95.77 37 A 1 ATOM 304 O O . GLY A 1 37 ? -1.535 13.932 13.198 1.00 94.29 37 A 1 ATOM 305 N N . SER A 1 38 ? -1.803 13.817 10.970 1.00 94.87 38 A 1 ATOM 306 C CA . SER A 1 38 ? -3.148 13.237 11.026 1.00 94.82 38 A 1 ATOM 307 C C . SER A 1 38 ? -3.086 11.712 11.113 1.00 95.84 38 A 1 ATOM 308 O O . SER A 1 38 ? -2.953 11.014 10.107 1.00 95.54 38 A 1 ATOM 309 C CB . SER A 1 38 ? -3.975 13.694 9.824 1.00 93.39 38 A 1 ATOM 310 O OG . SER A 1 38 ? -5.279 13.132 9.909 1.00 89.92 38 A 1 ATOM 311 N N . HIS A 1 39 ? -3.244 11.168 12.326 1.00 96.33 39 A 1 ATOM 312 C CA . HIS A 1 39 ? -3.221 9.710 12.532 1.00 96.66 39 A 1 ATOM 313 C C . HIS A 1 39 ? -4.318 8.967 11.755 1.00 97.27 39 A 1 ATOM 314 O O . HIS A 1 39 ? -4.091 7.847 11.305 1.00 96.75 39 A 1 ATOM 315 C CB . HIS A 1 39 ? -3.356 9.400 14.030 1.00 96.04 39 A 1 ATOM 316 C CG . HIS A 1 39 ? -2.227 9.908 14.891 1.00 94.53 39 A 1 ATOM 317 N ND1 . HIS A 1 39 ? -2.299 10.111 16.254 1.00 81.53 39 A 1 ATOM 318 C CD2 . HIS A 1 39 ? -0.949 10.225 14.507 1.00 81.89 39 A 1 ATOM 319 C CE1 . HIS A 1 39 ? -1.098 10.541 16.673 1.00 84.47 39 A 1 ATOM 320 N NE2 . HIS A 1 39 ? -0.244 10.625 15.641 1.00 86.22 39 A 1 ATOM 321 N N . VAL A 1 40 ? -5.503 9.584 11.584 1.00 97.42 40 A 1 ATOM 322 C CA . VAL A 1 40 ? -6.594 8.970 10.809 1.00 97.46 40 A 1 ATOM 323 C C . VAL A 1 40 ? -6.219 8.883 9.332 1.00 97.51 40 A 1 ATOM 324 O O . VAL A 1 40 ? -6.351 7.811 8.754 1.00 97.21 40 A 1 ATOM 325 C CB . VAL A 1 40 ? -7.925 9.719 11.011 1.00 97.07 40 A 1 ATOM 326 C CG1 . VAL A 1 40 ? -9.052 9.140 10.145 1.00 95.49 40 A 1 ATOM 327 C CG2 . VAL A 1 40 ? -8.373 9.626 12.481 1.00 95.23 40 A 1 ATOM 328 N N . MET A 1 41 ? -5.688 9.972 8.743 1.00 97.11 41 A 1 ATOM 329 C CA . MET A 1 41 ? -5.208 9.951 7.356 1.00 97.02 41 A 1 ATOM 330 C C . MET A 1 41 ? -4.095 8.918 7.177 1.00 97.30 41 A 1 ATOM 331 O O . MET A 1 41 ? -4.189 8.097 6.279 1.00 97.16 41 A 1 ATOM 332 C CB . MET A 1 41 ? -4.716 11.330 6.916 1.00 96.00 41 A 1 ATOM 333 C CG . MET A 1 41 ? -5.860 12.329 6.726 1.00 92.19 41 A 1 ATOM 334 S SD . MET A 1 41 ? -5.315 14.008 6.300 1.00 90.43 41 A 1 ATOM 335 C CE . MET A 1 41 ? -4.556 13.715 4.677 1.00 80.27 41 A 1 ATOM 336 N N . ILE A 1 42 ? -3.103 8.873 8.083 1.00 97.26 42 A 1 ATOM 337 C CA . ILE A 1 42 ? -2.026 7.866 8.033 1.00 97.56 42 A 1 ATOM 338 C C . ILE A 1 42 ? -2.594 6.441 7.929 1.00 97.72 42 A 1 ATOM 339 O O . ILE A 1 42 ? -2.124 5.640 7.125 1.00 97.66 42 A 1 ATOM 340 C CB . ILE A 1 42 ? -1.102 8.013 9.269 1.00 97.50 42 A 1 ATOM 341 C CG1 . ILE A 1 42 ? -0.282 9.318 9.172 1.00 96.69 42 A 1 ATOM 342 C CG2 . ILE A 1 42 ? -0.152 6.807 9.437 1.00 96.61 42 A 1 ATOM 343 C CD1 . ILE A 1 42 ? 0.399 9.726 10.485 1.00 94.50 42 A 1 ATOM 344 N N . LEU A 1 43 ? -3.617 6.109 8.736 1.00 98.01 43 A 1 ATOM 345 C CA . LEU A 1 43 ? -4.225 4.775 8.708 1.00 98.06 43 A 1 ATOM 346 C C . LEU A 1 43 ? -5.001 4.503 7.410 1.00 98.04 43 A 1 ATOM 347 O O . LEU A 1 43 ? -4.999 3.364 6.943 1.00 97.81 43 A 1 ATOM 348 C CB . LEU A 1 43 ? -5.143 4.601 9.930 1.00 98.02 43 A 1 ATOM 349 C CG . LEU A 1 43 ? -4.413 4.534 11.282 1.00 97.10 43 A 1 ATOM 350 C CD1 . LEU A 1 43 ? -5.445 4.524 12.412 1.00 95.32 43 A 1 ATOM 351 C CD2 . LEU A 1 43 ? -3.544 3.283 11.419 1.00 95.05 43 A 1 ATOM 352 N N . VAL A 1 44 ? -5.651 5.533 6.839 1.00 97.68 44 A 1 ATOM 353 C CA . VAL A 1 44 ? -6.324 5.441 5.532 1.00 97.23 44 A 1 ATOM 354 C C . VAL A 1 44 ? -5.294 5.151 4.444 1.00 97.40 44 A 1 ATOM 355 O O . VAL A 1 44 ? -5.397 4.112 3.799 1.00 97.22 44 A 1 ATOM 356 C CB . VAL A 1 44 ? -7.158 6.706 5.237 1.00 96.35 44 A 1 ATOM 357 C CG1 . VAL A 1 44 ? -7.701 6.738 3.804 1.00 94.21 44 A 1 ATOM 358 C CG2 . VAL A 1 44 ? -8.367 6.776 6.184 1.00 94.61 44 A 1 ATOM 359 N N . GLU A 1 45 ? -4.229 5.961 4.338 1.00 96.92 45 A 1 ATOM 360 C CA . GLU A 1 45 ? -3.196 5.771 3.305 1.00 96.86 45 A 1 ATOM 361 C C . GLU A 1 45 ? -2.453 4.436 3.464 1.00 97.24 45 A 1 ATOM 362 O O . GLU A 1 45 ? -2.083 3.778 2.497 1.00 96.69 45 A 1 ATOM 363 C CB . GLU A 1 45 ? -2.174 6.917 3.336 1.00 96.30 45 A 1 ATOM 364 C CG . GLU A 1 45 ? -2.737 8.346 3.254 1.00 93.64 45 A 1 ATOM 365 C CD . GLU A 1 45 ? -3.841 8.558 2.216 1.00 93.91 45 A 1 ATOM 366 O OE1 . GLU A 1 45 ? -4.709 9.427 2.500 1.00 87.47 45 A 1 ATOM 367 O OE2 . GLU A 1 45 ? -3.822 7.871 1.187 1.00 89.00 45 A 1 ATOM 368 N N . MET A 1 46 ? -2.257 3.951 4.698 1.00 98.12 46 A 1 ATOM 369 C CA . MET A 1 46 ? -1.714 2.606 4.928 1.00 98.16 46 A 1 ATOM 370 C C . MET A 1 46 ? -2.646 1.503 4.404 1.00 98.19 46 A 1 ATOM 371 O O . MET A 1 46 ? -2.166 0.478 3.911 1.00 98.03 46 A 1 ATOM 372 C CB . MET A 1 46 ? -1.453 2.380 6.420 1.00 98.04 46 A 1 ATOM 373 C CG . MET A 1 46 ? -0.209 3.117 6.927 1.00 95.95 46 A 1 ATOM 374 S SD . MET A 1 46 ? 0.138 2.836 8.691 1.00 93.55 46 A 1 ATOM 375 C CE . MET A 1 46 ? 0.679 1.108 8.627 1.00 84.32 46 A 1 ATOM 376 N N . SER A 1 47 ? -3.966 1.691 4.531 1.00 98.35 47 A 1 ATOM 377 C CA . SER A 1 47 ? -4.959 0.767 3.972 1.00 98.23 47 A 1 ATOM 378 C C . SER A 1 47 ? -4.972 0.810 2.446 1.00 98.32 47 A 1 ATOM 379 O O . SER A 1 47 ? -5.040 -0.249 1.810 1.00 98.01 47 A 1 ATOM 380 C CB . SER A 1 47 ? -6.352 1.102 4.523 1.00 97.61 47 A 1 ATOM 381 O OG . SER A 1 47 ? -7.305 0.162 4.057 1.00 81.32 47 A 1 ATOM 382 N N . ASP A 1 48 ? -4.863 2.003 1.859 1.00 98.02 48 A 1 ATOM 383 C CA . ASP A 1 48 ? -4.842 2.193 0.411 1.00 97.89 48 A 1 ATOM 384 C C . ASP A 1 48 ? -3.544 1.649 -0.201 1.00 98.05 48 A 1 ATOM 385 O O . ASP A 1 48 ? -3.587 0.919 -1.202 1.00 97.74 48 A 1 ATOM 386 C CB . ASP A 1 48 ? -5.107 3.674 0.088 1.00 97.30 48 A 1 ATOM 387 C CG . ASP A 1 48 ? -6.565 4.088 0.379 1.00 94.35 48 A 1 ATOM 388 O OD1 . ASP A 1 48 ? -7.451 3.192 0.339 1.00 90.11 48 A 1 ATOM 389 O OD2 . ASP A 1 48 ? -6.816 5.281 0.622 1.00 88.92 48 A 1 ATOM 390 N N . LEU A 1 49 ? -2.403 1.835 0.471 1.00 97.95 49 A 1 ATOM 391 C CA . LEU A 1 49 ? -1.128 1.198 0.120 1.00 98.03 49 A 1 ATOM 392 C C . LEU A 1 49 ? -1.229 -0.335 0.123 1.00 98.03 49 A 1 ATOM 393 O O . LEU A 1 49 ? -0.728 -0.995 -0.793 1.00 97.75 49 A 1 ATOM 394 C CB . LEU A 1 49 ? -0.044 1.699 1.096 1.00 97.89 49 A 1 ATOM 395 C CG . LEU A 1 49 ? 1.345 1.074 0.871 1.00 96.36 49 A 1 ATOM 396 C CD1 . LEU A 1 49 ? 1.896 1.338 -0.532 1.00 94.40 49 A 1 ATOM 397 C CD2 . LEU A 1 49 ? 2.338 1.656 1.879 1.00 94.68 49 A 1 ATOM 398 N N . TYR A 1 50 ? -1.902 -0.917 1.117 1.00 98.20 50 A 1 ATOM 399 C CA . TYR A 1 50 ? -2.152 -2.361 1.142 1.00 97.96 50 A 1 ATOM 400 C C . TYR A 1 50 ? -2.959 -2.812 -0.085 1.00 97.94 50 A 1 ATOM 401 O O . TYR A 1 50 ? -2.580 -3.782 -0.753 1.00 97.67 50 A 1 ATOM 402 C CB . TYR A 1 50 ? -2.854 -2.744 2.452 1.00 97.68 50 A 1 ATOM 403 C CG . TYR A 1 50 ? -3.122 -4.232 2.584 1.00 97.57 50 A 1 ATOM 404 C CD1 . TYR A 1 50 ? -4.295 -4.793 2.035 1.00 96.22 50 A 1 ATOM 405 C CD2 . TYR A 1 50 ? -2.184 -5.061 3.227 1.00 96.24 50 A 1 ATOM 406 C CE1 . TYR A 1 50 ? -4.523 -6.181 2.120 1.00 95.53 50 A 1 ATOM 407 C CE2 . TYR A 1 50 ? -2.409 -6.451 3.316 1.00 95.63 50 A 1 ATOM 408 C CZ . TYR A 1 50 ? -3.577 -7.009 2.756 1.00 96.00 50 A 1 ATOM 409 O OH . TYR A 1 50 ? -3.789 -8.354 2.825 1.00 94.60 50 A 1 ATOM 410 N N . GLY A 1 51 ? -4.031 -2.086 -0.428 1.00 98.26 51 A 1 ATOM 411 C CA . GLY A 1 51 ? -4.844 -2.345 -1.618 1.00 98.13 51 A 1 ATOM 412 C C . GLY A 1 51 ? -4.058 -2.176 -2.923 1.00 98.27 51 A 1 ATOM 413 O O . GLY A 1 51 ? -4.155 -3.017 -3.821 1.00 98.15 51 A 1 ATOM 414 N N . ALA A 1 52 ? -3.206 -1.146 -3.019 1.00 98.04 52 A 1 ATOM 415 C CA . ALA A 1 52 ? -2.338 -0.919 -4.176 1.00 98.12 52 A 1 ATOM 416 C C . ALA A 1 52 ? -1.323 -2.059 -4.368 1.00 98.09 52 A 1 ATOM 417 O O . ALA A 1 52 ? -1.131 -2.540 -5.489 1.00 97.96 52 A 1 ATOM 418 C CB . ALA A 1 52 ? -1.642 0.434 -3.998 1.00 98.14 52 A 1 ATOM 419 N N . MET A 1 53 ? -0.709 -2.541 -3.278 1.00 98.32 53 A 1 ATOM 420 C CA . MET A 1 53 ? 0.182 -3.708 -3.304 1.00 98.19 53 A 1 ATOM 421 C C . MET A 1 53 ? -0.550 -4.971 -3.765 1.00 98.06 53 A 1 ATOM 422 O O . MET A 1 53 ? -0.008 -5.723 -4.575 1.00 97.76 53 A 1 ATOM 423 C CB . MET A 1 53 ? 0.778 -3.959 -1.915 1.00 98.01 53 A 1 ATOM 424 C CG . MET A 1 53 ? 1.833 -2.931 -1.505 1.00 95.61 53 A 1 ATOM 425 S SD . MET A 1 53 ? 2.480 -3.182 0.173 1.00 94.06 53 A 1 ATOM 426 C CE . MET A 1 53 ? 3.262 -4.805 -0.006 1.00 81.17 53 A 1 ATOM 427 N N . GLN A 1 54 ? -1.776 -5.191 -3.278 1.00 97.96 54 A 1 ATOM 428 C CA . GLN A 1 54 ? -2.601 -6.323 -3.696 1.00 97.70 54 A 1 ATOM 429 C C . GLN A 1 54 ? -2.920 -6.256 -5.195 1.00 97.68 54 A 1 ATOM 430 O O . GLN A 1 54 ? -2.662 -7.222 -5.910 1.00 97.28 54 A 1 ATOM 431 C CB . GLN A 1 54 ? -3.865 -6.374 -2.828 1.00 96.95 54 A 1 ATOM 432 C CG . GLN A 1 54 ? -4.758 -7.556 -3.246 1.00 87.89 54 A 1 ATOM 433 C CD . GLN A 1 54 ? -6.014 -7.713 -2.401 1.00 87.29 54 A 1 ATOM 434 O OE1 . GLN A 1 54 ? -6.158 -7.197 -1.302 1.00 78.77 54 A 1 ATOM 435 N NE2 . GLN A 1 54 ? -6.970 -8.469 -2.894 1.00 75.18 54 A 1 ATOM 436 N N . GLY A 1 55 ? -3.401 -5.107 -5.689 1.00 98.00 55 A 1 ATOM 437 C CA . GLY A 1 55 ? -3.714 -4.925 -7.110 1.00 97.83 55 A 1 ATOM 438 C C . GLY A 1 55 ? -2.491 -5.097 -8.016 1.00 97.84 55 A 1 ATOM 439 O O . GLY A 1 55 ? -2.574 -5.740 -9.061 1.00 97.43 55 A 1 ATOM 440 N N . PHE A 1 56 ? -1.324 -4.595 -7.590 1.00 97.95 56 A 1 ATOM 441 C CA . PHE A 1 56 ? -0.066 -4.811 -8.311 1.00 97.87 56 A 1 ATOM 442 C C . PHE A 1 56 ? 0.317 -6.295 -8.364 1.00 97.74 56 A 1 ATOM 443 O O . PHE A 1 56 ? 0.746 -6.789 -9.408 1.00 97.34 56 A 1 ATOM 444 C CB . PHE A 1 56 ? 1.052 -3.992 -7.657 1.00 97.88 56 A 1 ATOM 445 C CG . PHE A 1 56 ? 2.392 -4.144 -8.355 1.00 97.94 56 A 1 ATOM 446 C CD1 . PHE A 1 56 ? 3.382 -4.993 -7.824 1.00 97.00 56 A 1 ATOM 447 C CD2 . PHE A 1 56 ? 2.631 -3.468 -9.562 1.00 97.23 56 A 1 ATOM 448 C CE1 . PHE A 1 56 ? 4.608 -5.157 -8.498 1.00 96.71 56 A 1 ATOM 449 C CE2 . PHE A 1 56 ? 3.856 -3.631 -10.237 1.00 96.79 56 A 1 ATOM 450 C CZ . PHE A 1 56 ? 4.845 -4.475 -9.705 1.00 97.04 56 A 1 ATOM 451 N N . LEU A 1 57 ? 0.157 -7.019 -7.253 1.00 97.42 57 A 1 ATOM 452 C CA . LEU A 1 57 ? 0.468 -8.443 -7.174 1.00 97.01 57 A 1 ATOM 453 C C . LEU A 1 57 ? -0.450 -9.271 -8.085 1.00 97.17 57 A 1 ATOM 454 O O . LEU A 1 57 ? 0.037 -10.110 -8.836 1.00 96.51 57 A 1 ATOM 455 C CB . LEU A 1 57 ? 0.359 -8.873 -5.705 1.00 95.75 57 A 1 ATOM 456 C CG . LEU A 1 57 ? 0.872 -10.291 -5.423 1.00 90.36 57 A 1 ATOM 457 C CD1 . LEU A 1 57 ? 2.387 -10.397 -5.613 1.00 87.23 57 A 1 ATOM 458 C CD2 . LEU A 1 57 ? 0.547 -10.654 -3.976 1.00 87.08 57 A 1 ATOM 459 N N . GLU A 1 58 ? -1.754 -8.990 -8.057 1.00 97.04 58 A 1 ATOM 460 C CA . GLU A 1 58 ? -2.754 -9.678 -8.882 1.00 96.66 58 A 1 ATOM 461 C C . GLU A 1 58 ? -2.491 -9.491 -10.382 1.00 96.69 58 A 1 ATOM 462 O O . GLU A 1 58 ? -2.574 -10.451 -11.151 1.00 95.85 58 A 1 ATOM 463 C CB . GLU A 1 58 ? -4.156 -9.157 -8.520 1.00 95.91 58 A 1 ATOM 464 C CG . GLU A 1 58 ? -4.644 -9.682 -7.156 1.00 91.79 58 A 1 ATOM 465 C CD . GLU A 1 58 ? -5.961 -9.046 -6.668 1.00 90.28 58 A 1 ATOM 466 O OE1 . GLU A 1 58 ? -6.351 -9.349 -5.509 1.00 83.22 58 A 1 ATOM 467 O OE2 . GLU A 1 58 ? -6.575 -8.263 -7.423 1.00 84.28 58 A 1 ATOM 468 N N . GLU A 1 59 ? -2.122 -8.271 -10.797 1.00 97.02 59 A 1 ATOM 469 C CA . GLU A 1 59 ? -1.882 -7.963 -12.211 1.00 96.85 59 A 1 ATOM 470 C C . GLU A 1 59 ? -0.539 -8.514 -12.724 1.00 97.05 59 A 1 ATOM 471 O O . GLU A 1 59 ? -0.458 -8.999 -13.855 1.00 95.91 59 A 1 ATOM 472 C CB . GLU A 1 59 ? -1.984 -6.437 -12.411 1.00 95.94 59 A 1 ATOM 473 C CG . GLU A 1 59 ? -1.952 -6.049 -13.900 1.00 87.57 59 A 1 ATOM 474 C CD . GLU A 1 59 ? -2.221 -4.552 -14.153 1.00 87.20 59 A 1 ATOM 475 O OE1 . GLU A 1 59 ? -1.671 -3.989 -15.125 1.00 79.45 59 A 1 ATOM 476 O OE2 . GLU A 1 59 ? -3.020 -3.904 -13.444 1.00 81.07 59 A 1 ATOM 477 N N . ASN A 1 60 ? 0.525 -8.445 -11.914 1.00 97.31 60 A 1 ATOM 478 C CA . ASN A 1 60 ? 1.890 -8.715 -12.383 1.00 97.04 60 A 1 ATOM 479 C C . ASN A 1 60 ? 2.429 -10.087 -11.945 1.00 97.20 60 A 1 ATOM 480 O O . ASN A 1 60 ? 3.350 -10.613 -12.570 1.00 96.05 60 A 1 ATOM 481 C CB . ASN A 1 60 ? 2.809 -7.570 -11.931 1.00 96.64 60 A 1 ATOM 482 C CG . ASN A 1 60 ? 2.406 -6.227 -12.525 1.00 95.43 60 A 1 ATOM 483 O OD1 . ASN A 1 60 ? 2.870 -5.827 -13.582 1.00 87.25 60 A 1 ATOM 484 N ND2 . ASN A 1 60 ? 1.532 -5.494 -11.878 1.00 87.29 60 A 1 ATOM 485 N N . TYR A 1 61 ? 1.867 -10.669 -10.889 1.00 96.87 61 A 1 ATOM 486 C CA . TYR A 1 61 ? 2.338 -11.920 -10.288 1.00 96.64 61 A 1 ATOM 487 C C . TYR A 1 61 ? 1.163 -12.832 -9.884 1.00 96.35 61 A 1 ATOM 488 O O . TYR A 1 61 ? 1.035 -13.180 -8.707 1.00 94.56 61 A 1 ATOM 489 C CB . TYR A 1 61 ? 3.258 -11.606 -9.098 1.00 96.15 61 A 1 ATOM 490 C CG . TYR A 1 61 ? 4.462 -10.751 -9.438 1.00 96.24 61 A 1 ATOM 491 C CD1 . TYR A 1 61 ? 5.616 -11.337 -9.992 1.00 94.18 61 A 1 ATOM 492 C CD2 . TYR A 1 61 ? 4.417 -9.361 -9.217 1.00 94.86 61 A 1 ATOM 493 C CE1 . TYR A 1 61 ? 6.726 -10.535 -10.323 1.00 93.46 61 A 1 ATOM 494 C CE2 . TYR A 1 61 ? 5.520 -8.556 -9.550 1.00 93.91 61 A 1 ATOM 495 C CZ . TYR A 1 61 ? 6.677 -9.143 -10.104 1.00 93.85 61 A 1 ATOM 496 O OH . TYR A 1 61 ? 7.744 -8.360 -10.432 1.00 92.05 61 A 1 ATOM 497 N N . PRO A 1 62 ? 0.304 -13.283 -10.836 1.00 93.83 62 A 1 ATOM 498 C CA . PRO A 1 62 ? -0.953 -13.984 -10.538 1.00 91.66 62 A 1 ATOM 499 C C . PRO A 1 62 ? -0.792 -15.314 -9.778 1.00 90.24 62 A 1 ATOM 500 O O . PRO A 1 62 ? -1.761 -15.853 -9.248 1.00 82.30 62 A 1 ATOM 501 C CB . PRO A 1 62 ? -1.610 -14.196 -11.911 1.00 89.55 62 A 1 ATOM 502 C CG . PRO A 1 62 ? -0.440 -14.175 -12.891 1.00 89.48 62 A 1 ATOM 503 C CD . PRO A 1 62 ? 0.483 -13.134 -12.274 1.00 92.91 62 A 1 ATOM 504 N N . GLY A 1 63 ? 0.422 -15.858 -9.708 1.00 92.89 63 A 1 ATOM 505 C CA . GLY A 1 63 ? 0.743 -17.050 -8.917 1.00 92.61 63 A 1 ATOM 506 C C . GLY A 1 63 ? 1.044 -16.781 -7.438 1.00 93.80 63 A 1 ATOM 507 O O . GLY A 1 63 ? 1.222 -17.739 -6.686 1.00 91.30 63 A 1 ATOM 508 N N . PHE A 1 64 ? 1.136 -15.506 -7.022 1.00 96.12 64 A 1 ATOM 509 C CA . PHE A 1 64 ? 1.482 -15.104 -5.661 1.00 95.92 64 A 1 ATOM 510 C C . PHE A 1 64 ? 0.311 -14.394 -4.981 1.00 95.71 64 A 1 ATOM 511 O O . PHE A 1 64 ? -0.550 -13.805 -5.633 1.00 93.85 64 A 1 ATOM 512 C CB . PHE A 1 64 ? 2.738 -14.228 -5.673 1.00 95.66 64 A 1 ATOM 513 C CG . PHE A 1 64 ? 4.004 -14.957 -6.081 1.00 95.66 64 A 1 ATOM 514 C CD1 . PHE A 1 64 ? 4.818 -15.555 -5.104 1.00 92.71 64 A 1 ATOM 515 C CD2 . PHE A 1 64 ? 4.363 -15.047 -7.437 1.00 93.14 64 A 1 ATOM 516 C CE1 . PHE A 1 64 ? 5.991 -16.234 -5.483 1.00 92.07 64 A 1 ATOM 517 C CE2 . PHE A 1 64 ? 5.532 -15.733 -7.816 1.00 92.61 64 A 1 ATOM 518 C CZ . PHE A 1 64 ? 6.347 -16.324 -6.838 1.00 93.13 64 A 1 ATOM 519 N N . LYS A 1 65 ? 0.303 -14.409 -3.649 1.00 96.19 65 A 1 ATOM 520 C CA . LYS A 1 65 ? -0.707 -13.763 -2.808 1.00 95.66 65 A 1 ATOM 521 C C . LYS A 1 65 ? -0.048 -12.883 -1.746 1.00 96.59 65 A 1 ATOM 522 O O . LYS A 1 65 ? 1.131 -13.045 -1.422 1.00 96.14 65 A 1 ATOM 523 C CB . LYS A 1 65 ? -1.600 -14.837 -2.162 1.00 93.49 65 A 1 ATOM 524 C CG . LYS A 1 65 ? -2.327 -15.695 -3.206 1.00 89.18 65 A 1 ATOM 525 C CD . LYS A 1 65 ? -3.247 -16.711 -2.527 1.00 84.68 65 A 1 ATOM 526 C CE . LYS A 1 65 ? -3.935 -17.546 -3.607 1.00 76.59 65 A 1 ATOM 527 N NZ . LYS A 1 65 ? -4.873 -18.529 -3.015 1.00 67.66 65 A 1 ATOM 528 N N . MET A 1 66 ? -0.830 -11.983 -1.138 1.00 96.48 66 A 1 ATOM 529 C CA . MET A 1 66 ? -0.354 -11.148 -0.021 1.00 96.94 66 A 1 ATOM 530 C C . MET A 1 66 ? 0.201 -11.985 1.148 1.00 97.33 66 A 1 ATOM 531 O O . MET A 1 66 ? 1.150 -11.567 1.810 1.00 97.07 66 A 1 ATOM 532 C CB . MET A 1 66 ? -1.496 -10.232 0.447 1.00 96.64 66 A 1 ATOM 533 C CG . MET A 1 66 ? -1.829 -9.138 -0.580 1.00 95.54 66 A 1 ATOM 534 S SD . MET A 1 66 ? -0.453 -8.010 -0.973 1.00 95.48 66 A 1 ATOM 535 C CE . MET A 1 66 ? -0.374 -7.047 0.559 1.00 91.66 66 A 1 ATOM 536 N N . GLU A 1 67 ? -0.313 -13.197 1.347 1.00 97.51 67 A 1 ATOM 537 C CA . GLU A 1 67 ? 0.211 -14.160 2.332 1.00 97.57 67 A 1 ATOM 538 C C . GLU A 1 67 ? 1.678 -14.559 2.080 1.00 97.89 67 A 1 ATOM 539 O O . GLU A 1 67 ? 2.435 -14.760 3.035 1.00 97.47 67 A 1 ATOM 540 C CB . GLU A 1 67 ? -0.698 -15.409 2.343 1.00 97.03 67 A 1 ATOM 541 C CG . GLU A 1 67 ? -1.486 -15.547 3.659 1.00 84.81 67 A 1 ATOM 542 C CD . GLU A 1 67 ? -2.331 -14.305 3.990 1.00 75.40 67 A 1 ATOM 543 O OE1 . GLU A 1 67 ? -2.388 -13.970 5.203 1.00 66.82 67 A 1 ATOM 544 O OE2 . GLU A 1 67 ? -2.861 -13.671 3.052 1.00 66.12 67 A 1 ATOM 545 N N . ASP A 1 68 ? 2.112 -14.636 0.815 1.00 97.62 68 A 1 ATOM 546 C CA . ASP A 1 68 ? 3.503 -14.948 0.469 1.00 97.48 68 A 1 ATOM 547 C C . ASP A 1 68 ? 4.429 -13.787 0.857 1.00 97.65 68 A 1 ATOM 548 O O . ASP A 1 68 ? 5.477 -13.998 1.477 1.00 97.18 68 A 1 ATOM 549 C CB . ASP A 1 68 ? 3.625 -15.277 -1.031 1.00 97.10 68 A 1 ATOM 550 C CG . ASP A 1 68 ? 2.801 -16.503 -1.421 1.00 95.99 68 A 1 ATOM 551 O OD1 . ASP A 1 68 ? 3.050 -17.577 -0.819 1.00 93.03 68 A 1 ATOM 552 O OD2 . ASP A 1 68 ? 1.929 -16.358 -2.310 1.00 92.76 68 A 1 ATOM 553 N N . LEU A 1 69 ? 3.991 -12.543 0.588 1.00 97.31 69 A 1 ATOM 554 C CA . LEU A 1 69 ? 4.700 -11.331 1.008 1.00 97.07 69 A 1 ATOM 555 C C . LEU A 1 69 ? 4.781 -11.236 2.536 1.00 97.28 69 A 1 ATOM 556 O O . LEU A 1 69 ? 5.851 -10.978 3.090 1.00 96.97 69 A 1 ATOM 557 C CB . LEU A 1 69 ? 4.015 -10.075 0.431 1.00 96.75 69 A 1 ATOM 558 C CG . LEU A 1 69 ? 3.927 -9.998 -1.107 1.00 95.20 69 A 1 ATOM 559 C CD1 . LEU A 1 69 ? 3.360 -8.637 -1.504 1.00 92.32 69 A 1 ATOM 560 C CD2 . LEU A 1 69 ? 5.288 -10.166 -1.784 1.00 91.80 69 A 1 ATOM 561 N N . LYS A 1 70 ? 3.677 -11.507 3.235 1.00 96.95 70 A 1 ATOM 562 C CA . LYS A 1 70 ? 3.611 -11.539 4.705 1.00 97.27 70 A 1 ATOM 563 C C . LYS A 1 70 ? 4.586 -12.560 5.295 1.00 97.38 70 A 1 ATOM 564 O O . LYS A 1 70 ? 5.304 -12.247 6.246 1.00 97.07 70 A 1 ATOM 565 C CB . LYS A 1 70 ? 2.164 -11.835 5.104 1.00 96.96 70 A 1 ATOM 566 C CG . LYS A 1 70 ? 1.938 -11.855 6.621 1.00 95.46 70 A 1 ATOM 567 C CD . LYS A 1 70 ? 0.463 -12.180 6.863 1.00 92.92 70 A 1 ATOM 568 C CE . LYS A 1 70 ? 0.104 -12.280 8.342 1.00 86.08 70 A 1 ATOM 569 N NZ . LYS A 1 70 ? -1.329 -12.654 8.462 1.00 77.54 70 A 1 ATOM 570 N N . LYS A 1 71 ? 4.654 -13.762 4.713 1.00 97.71 71 A 1 ATOM 571 C CA . LYS A 1 71 ? 5.596 -14.808 5.134 1.00 97.61 71 A 1 ATOM 572 C C . LYS A 1 71 ? 7.043 -14.337 5.011 1.00 97.43 71 A 1 ATOM 573 O O . LYS A 1 71 ? 7.814 -14.479 5.963 1.00 96.91 71 A 1 ATOM 574 C CB . LYS A 1 71 ? 5.323 -16.073 4.307 1.00 97.37 71 A 1 ATOM 575 C CG . LYS A 1 71 ? 6.204 -17.260 4.731 1.00 90.48 71 A 1 ATOM 576 C CD . LYS A 1 71 ? 5.850 -18.479 3.873 1.00 88.43 71 A 1 ATOM 577 C CE . LYS A 1 71 ? 6.704 -19.696 4.237 1.00 79.80 71 A 1 ATOM 578 N NZ . LYS A 1 71 ? 6.346 -20.855 3.382 1.00 73.24 71 A 1 ATOM 579 N N . PHE A 1 72 ? 7.420 -13.746 3.868 1.00 96.93 72 A 1 ATOM 580 C CA . PHE A 1 72 ? 8.778 -13.241 3.671 1.00 96.38 72 A 1 ATOM 581 C C . PHE A 1 72 ? 9.087 -12.018 4.553 1.00 96.26 72 A 1 ATOM 582 O O . PHE A 1 72 ? 10.186 -11.917 5.107 1.00 95.89 72 A 1 ATOM 583 C CB . PHE A 1 72 ? 9.009 -12.945 2.186 1.00 96.05 72 A 1 ATOM 584 C CG . PHE A 1 72 ? 10.474 -12.687 1.884 1.00 95.74 72 A 1 ATOM 585 C CD1 . PHE A 1 72 ? 10.951 -11.373 1.730 1.00 92.90 72 A 1 ATOM 586 C CD2 . PHE A 1 72 ? 11.370 -13.766 1.807 1.00 93.41 72 A 1 ATOM 587 C CE1 . PHE A 1 72 ? 12.318 -11.143 1.487 1.00 92.40 72 A 1 ATOM 588 C CE2 . PHE A 1 72 ? 12.737 -13.538 1.568 1.00 92.50 72 A 1 ATOM 589 C CZ . PHE A 1 72 ? 13.212 -12.224 1.405 1.00 92.79 72 A 1 ATOM 590 N N . SER A 1 73 ? 8.110 -11.125 4.771 1.00 96.05 73 A 1 ATOM 591 C CA . SER A 1 73 ? 8.215 -10.013 5.727 1.00 95.81 73 A 1 ATOM 592 C C . SER A 1 73 ? 8.544 -10.519 7.138 1.00 95.88 73 A 1 ATOM 593 O O . SER A 1 73 ? 9.477 -10.027 7.767 1.00 95.62 73 A 1 ATOM 594 C CB . SER A 1 73 ? 6.915 -9.201 5.724 1.00 95.48 73 A 1 ATOM 595 O OG . SER A 1 73 ? 7.020 -8.135 6.645 1.00 89.37 73 A 1 ATOM 596 N N . GLY A 1 74 ? 7.885 -11.580 7.605 1.00 96.38 74 A 1 ATOM 597 C CA . GLY A 1 74 ? 8.198 -12.217 8.892 1.00 96.19 74 A 1 ATOM 598 C C . GLY A 1 74 ? 9.624 -12.778 8.970 1.00 96.29 74 A 1 ATOM 599 O O . GLY A 1 74 ? 10.298 -12.639 9.996 1.00 95.42 74 A 1 ATOM 600 N N . ILE A 1 75 ? 10.135 -13.356 7.875 1.00 95.38 75 A 1 ATOM 601 C CA . ILE A 1 75 ? 11.537 -13.809 7.779 1.00 94.95 75 A 1 ATOM 602 C C . ILE A 1 75 ? 12.491 -12.616 7.908 1.00 94.91 75 A 1 ATOM 603 O O . ILE A 1 75 ? 13.452 -12.676 8.683 1.00 94.11 75 A 1 ATOM 604 C CB . ILE A 1 75 ? 11.773 -14.594 6.461 1.00 94.57 75 A 1 ATOM 605 C CG1 . ILE A 1 75 ? 10.987 -15.927 6.483 1.00 93.67 75 A 1 ATOM 606 C CG2 . ILE A 1 75 ? 13.272 -14.869 6.225 1.00 93.35 75 A 1 ATOM 607 C CD1 . ILE A 1 75 ? 10.895 -16.632 5.126 1.00 90.80 75 A 1 ATOM 608 N N . THR A 1 76 ? 12.206 -11.521 7.196 1.00 94.69 76 A 1 ATOM 609 C CA . THR A 1 76 ? 13.004 -10.290 7.230 1.00 93.80 76 A 1 ATOM 610 C C . THR A 1 76 ? 13.013 -9.665 8.627 1.00 93.73 76 A 1 ATOM 611 O O . THR A 1 76 ? 14.080 -9.345 9.146 1.00 93.70 76 A 1 ATOM 612 C CB . THR A 1 76 ? 12.480 -9.296 6.181 1.00 92.75 76 A 1 ATOM 613 O OG1 . THR A 1 76 ? 12.584 -9.873 4.899 1.00 87.18 76 A 1 ATOM 614 C CG2 . THR A 1 76 ? 13.285 -7.999 6.141 1.00 85.56 76 A 1 ATOM 615 N N . GLN A 1 77 ? 11.858 -9.560 9.289 1.00 94.17 77 A 1 ATOM 616 C CA . GLN A 1 77 ? 11.765 -9.052 10.664 1.00 93.53 77 A 1 ATOM 617 C C . GLN A 1 77 ? 12.604 -9.876 11.647 1.00 93.44 77 A 1 ATOM 618 O O . GLN A 1 77 ? 13.259 -9.312 12.524 1.00 92.78 77 A 1 ATOM 619 C CB . GLN A 1 77 ? 10.306 -9.067 11.125 1.00 92.90 77 A 1 ATOM 620 C CG . GLN A 1 77 ? 9.435 -7.986 10.464 1.00 85.42 77 A 1 ATOM 621 C CD . GLN A 1 77 ? 7.989 -8.063 10.938 1.00 81.59 77 A 1 ATOM 622 O OE1 . GLN A 1 77 ? 7.667 -8.680 11.945 1.00 75.20 77 A 1 ATOM 623 N NE2 . GLN A 1 77 ? 7.063 -7.441 10.250 1.00 71.87 77 A 1 ATOM 624 N N . ARG A 1 78 ? 12.626 -11.205 11.501 1.00 90.80 78 A 1 ATOM 625 C CA . ARG A 1 78 ? 13.485 -12.077 12.313 1.00 89.22 78 A 1 ATOM 626 C C . ARG A 1 78 ? 14.969 -11.781 12.079 1.00 89.73 78 A 1 ATOM 627 O O . ARG A 1 78 ? 15.720 -11.729 13.050 1.00 88.27 78 A 1 ATOM 628 C CB . ARG A 1 78 ? 13.132 -13.546 12.032 1.00 88.49 78 A 1 ATOM 629 C CG . ARG A 1 78 ? 13.955 -14.510 12.907 1.00 83.32 78 A 1 ATOM 630 C CD . ARG A 1 78 ? 13.553 -15.968 12.669 1.00 79.58 78 A 1 ATOM 631 N NE . ARG A 1 78 ? 13.837 -16.399 11.282 1.00 74.30 78 A 1 ATOM 632 C CZ . ARG A 1 78 ? 13.023 -17.027 10.449 1.00 71.40 78 A 1 ATOM 633 N NH1 . ARG A 1 78 ? 11.801 -17.346 10.769 1.00 65.03 78 A 1 ATOM 634 N NH2 . ARG A 1 78 ? 13.429 -17.357 9.258 1.00 63.28 78 A 1 ATOM 635 N N . ALA A 1 79 ? 15.387 -11.558 10.831 1.00 87.02 79 A 1 ATOM 636 C CA . ALA A 1 79 ? 16.773 -11.214 10.512 1.00 84.19 79 A 1 ATOM 637 C C . ALA A 1 79 ? 17.199 -9.872 11.141 1.00 83.55 79 A 1 ATOM 638 O O . ALA A 1 79 ? 18.297 -9.785 11.684 1.00 82.65 79 A 1 ATOM 639 C CB . ALA A 1 79 ? 16.947 -11.223 8.986 1.00 84.78 79 A 1 ATOM 640 N N . PHE A 1 80 ? 16.325 -8.854 11.154 1.00 88.22 80 A 1 ATOM 641 C CA . PHE A 1 80 ? 16.578 -7.589 11.857 1.00 85.83 80 A 1 ATOM 642 C C . PHE A 1 80 ? 16.679 -7.782 13.376 1.00 83.58 80 A 1 ATOM 643 O O . PHE A 1 80 ? 17.643 -7.335 13.990 1.00 82.01 80 A 1 ATOM 644 C CB . PHE A 1 80 ? 15.483 -6.566 11.514 1.00 85.31 80 A 1 ATOM 645 C CG . PHE A 1 80 ? 15.661 -5.879 10.174 1.00 82.04 80 A 1 ATOM 646 C CD1 . PHE A 1 80 ? 16.698 -4.945 10.009 1.00 76.99 80 A 1 ATOM 647 C CD2 . PHE A 1 80 ? 14.786 -6.142 9.105 1.00 78.52 80 A 1 ATOM 648 C CE1 . PHE A 1 80 ? 16.865 -4.283 8.777 1.00 75.29 80 A 1 ATOM 649 C CE2 . PHE A 1 80 ? 14.953 -5.480 7.873 1.00 75.88 80 A 1 ATOM 650 C CZ . PHE A 1 80 ? 15.995 -4.549 7.709 1.00 77.84 80 A 1 ATOM 651 N N . LYS A 1 81 ? 15.740 -8.511 13.987 1.00 85.29 81 A 1 ATOM 652 C CA . LYS A 1 81 ? 15.753 -8.770 15.439 1.00 83.62 81 A 1 ATOM 653 C C . LYS A 1 81 ? 17.003 -9.519 15.905 1.00 81.66 81 A 1 ATOM 654 O O . LYS A 1 81 ? 17.464 -9.290 17.015 1.00 79.31 81 A 1 ATOM 655 C CB . LYS A 1 81 ? 14.499 -9.554 15.845 1.00 84.52 81 A 1 ATOM 656 C CG . LYS A 1 81 ? 13.243 -8.676 15.830 1.00 80.94 81 A 1 ATOM 657 C CD . LYS A 1 81 ? 12.005 -9.497 16.216 1.00 76.59 81 A 1 ATOM 658 C CE . LYS A 1 81 ? 10.771 -8.590 16.182 1.00 72.23 81 A 1 ATOM 659 N NZ . LYS A 1 81 ? 9.542 -9.306 16.605 1.00 64.37 81 A 1 ATOM 660 N N . ASN A 1 82 ? 17.547 -10.391 15.057 1.00 86.80 82 A 1 ATOM 661 C CA . ASN A 1 82 ? 18.754 -11.160 15.355 1.00 83.43 82 A 1 ATOM 662 C C . ASN A 1 82 ? 20.055 -10.396 15.033 1.00 82.05 82 A 1 ATOM 663 O O . ASN A 1 82 ? 21.129 -10.979 15.150 1.00 75.28 82 A 1 ATOM 664 C CB . ASN A 1 82 ? 18.674 -12.503 14.614 1.00 81.60 82 A 1 ATOM 665 C CG . ASN A 1 82 ? 17.565 -13.428 15.096 1.00 76.24 82 A 1 ATOM 666 O OD1 . ASN A 1 82 ? 16.825 -13.195 16.035 1.00 67.85 82 A 1 ATOM 667 N ND2 . ASN A 1 82 ? 17.424 -14.562 14.450 1.00 69.62 82 A 1 ATOM 668 N N . GLY A 1 83 ? 19.978 -9.128 14.587 1.00 78.95 83 A 1 ATOM 669 C CA . GLY A 1 83 ? 21.143 -8.295 14.260 1.00 75.55 83 A 1 ATOM 670 C C . GLY A 1 83 ? 21.899 -8.708 12.991 1.00 74.14 83 A 1 ATOM 671 O O . GLY A 1 83 ? 22.979 -8.193 12.730 1.00 70.09 83 A 1 ATOM 672 N N . TYR A 1 84 ? 21.357 -9.637 12.197 1.00 74.74 84 A 1 ATOM 673 C CA . TYR A 1 84 ? 21.975 -10.052 10.928 1.00 73.13 84 A 1 ATOM 674 C C . TYR A 1 84 ? 21.766 -9.016 9.809 1.00 70.79 84 A 1 ATOM 675 O O . TYR A 1 84 ? 22.525 -8.962 8.841 1.00 64.39 84 A 1 ATOM 676 C CB . TYR A 1 84 ? 21.405 -11.420 10.530 1.00 71.39 84 A 1 ATOM 677 C CG . TYR A 1 84 ? 22.067 -12.029 9.305 1.00 66.64 84 A 1 ATOM 678 C CD1 . TYR A 1 84 ? 21.483 -11.881 8.030 1.00 62.02 84 A 1 ATOM 679 C CD2 . TYR A 1 84 ? 23.294 -12.709 9.437 1.00 60.72 84 A 1 ATOM 680 C CE1 . TYR A 1 84 ? 22.124 -12.406 6.891 1.00 55.89 84 A 1 ATOM 681 C CE2 . TYR A 1 84 ? 23.940 -13.235 8.302 1.00 56.50 84 A 1 ATOM 682 C CZ . TYR A 1 84 ? 23.355 -13.082 7.029 1.00 56.32 84 A 1 ATOM 683 O OH . TYR A 1 84 ? 23.983 -13.582 5.924 1.00 56.85 84 A 1 ATOM 684 N N . ARG A 1 85 ? 20.728 -8.183 9.933 1.00 71.34 85 A 1 ATOM 685 C CA . ARG A 1 85 ? 20.367 -7.137 8.973 1.00 68.52 85 A 1 ATOM 686 C C . ARG A 1 85 ? 19.987 -5.874 9.750 1.00 62.26 85 A 1 ATOM 687 O O . ARG A 1 85 ? 18.951 -5.861 10.398 1.00 58.28 85 A 1 ATOM 688 C CB . ARG A 1 85 ? 19.226 -7.681 8.090 1.00 67.66 85 A 1 ATOM 689 C CG . ARG A 1 85 ? 19.051 -6.895 6.794 1.00 64.55 85 A 1 ATOM 690 C CD . ARG A 1 85 ? 17.935 -7.521 5.951 1.00 60.57 85 A 1 ATOM 691 N NE . ARG A 1 85 ? 17.826 -6.864 4.634 1.00 57.66 85 A 1 ATOM 692 C CZ . ARG A 1 85 ? 17.048 -7.243 3.633 1.00 53.61 85 A 1 ATOM 693 N NH1 . ARG A 1 85 ? 16.241 -8.264 3.739 1.00 51.56 85 A 1 ATOM 694 N NH2 . ARG A 1 85 ? 17.072 -6.594 2.500 1.00 49.50 85 A 1 ATOM 695 N N . GLY A 1 86 ? 20.833 -4.854 9.684 1.00 77.35 86 A 1 ATOM 696 C CA . GLY A 1 86 ? 20.667 -3.571 10.366 1.00 70.42 86 A 1 ATOM 697 C C . GLY A 1 86 ? 21.881 -2.706 10.132 1.00 62.99 86 A 1 ATOM 698 O O . GLY A 1 86 ? 22.998 -3.279 10.031 1.00 56.22 86 A 1 ATOM 699 O OXT . GLY A 1 86 ? 21.667 -1.468 10.069 1.00 62.76 86 A 1 #