# 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_spkb35554 # _entry.id spkb35554 # 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" "C3 H7 N O2 S" 121.158 CYS y CYSTEINE C([C@@H](C(=O)O)N)S ? "L-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" "C3 H7 N O3" 105.093 SER y SERINE C([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 LYS 2 1 n ILE 3 1 n LEU 4 1 n PHE 5 1 n VAL 6 1 n LEU 7 1 n ILE 8 1 n SER 9 1 n ILE 10 1 n LEU 11 1 n HIS 12 1 n ALA 13 1 n VAL 14 1 n TYR 15 1 n CYS 16 # _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 (3.0.0 @ 2025-07-11 10:22:47)" _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 96.65 _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 92.17 1 1 A LYS 2 2 94.61 1 2 A ILE 3 2 97.69 1 3 A LEU 4 2 97.43 1 4 A PHE 5 2 96.49 1 5 A VAL 6 2 98.69 1 6 A LEU 7 2 97.44 1 7 A ILE 8 2 97.38 1 8 A SER 9 2 97.72 1 9 A ILE 10 2 98.03 1 10 A LEU 11 2 97.20 1 11 A HIS 12 2 96.19 1 12 A ALA 13 2 98.81 1 13 A VAL 14 2 98.07 1 14 A TYR 15 2 96.50 1 15 A CYS 16 2 93.71 1 16 # _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 LYS . 2 A 2 A 3 1 n ILE . 3 A 3 A 4 1 n LEU . 4 A 4 A 5 1 n PHE . 5 A 5 A 6 1 n VAL . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n ILE . 8 A 8 A 9 1 n SER . 9 A 9 A 10 1 n ILE . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n HIS . 12 A 12 A 13 1 n ALA . 13 A 13 A 14 1 n VAL . 14 A 14 A 15 1 n TYR . 15 A 15 A 16 1 n CYS . 16 A 16 # _software.classification other _software.date ? _software.description "Structure prediction" _software.name AlphaFold _software.pdbx_ordinal 1 _software.type package _software.version "AlphaFold-beta-20231127 (9ceee3b5f7825b611ab42eaad843248507ced2da1e745fa3b3d93c6c4ad3ca74)" # _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 ? -13.882 -1.182 0.856 1.00 96.84 1 A 1 ATOM 2 C CA . MET A 1 1 ? -13.097 -0.163 1.588 1.00 97.41 1 A 1 ATOM 3 C C . MET A 1 1 ? -12.048 0.463 0.670 1.00 97.63 1 A 1 ATOM 4 O O . MET A 1 1 ? -11.173 -0.230 0.155 1.00 96.71 1 A 1 ATOM 5 C CB . MET A 1 1 ? -12.409 -0.791 2.798 1.00 95.03 1 A 1 ATOM 6 C CG . MET A 1 1 ? -11.827 0.237 3.736 1.00 89.01 1 A 1 ATOM 7 S SD . MET A 1 1 ? -13.070 1.253 4.519 1.00 87.28 1 A 1 ATOM 8 C CE . MET A 1 1 ? -13.770 0.080 5.666 1.00 77.46 1 A 1 ATOM 9 N N . LYS A 1 2 ? -12.153 1.768 0.457 1.00 98.58 2 A 1 ATOM 10 C CA . LYS A 1 2 ? -11.260 2.473 -0.461 1.00 98.65 2 A 1 ATOM 11 C C . LYS A 1 2 ? -9.986 2.953 0.233 1.00 98.76 2 A 1 ATOM 12 O O . LYS A 1 2 ? -8.888 2.816 -0.303 1.00 98.52 2 A 1 ATOM 13 C CB . LYS A 1 2 ? -11.994 3.669 -1.073 1.00 98.24 2 A 1 ATOM 14 C CG . LYS A 1 2 ? -13.271 3.282 -1.798 1.00 94.68 2 A 1 ATOM 15 C CD . LYS A 1 2 ? -14.032 4.509 -2.261 1.00 92.85 2 A 1 ATOM 16 C CE . LYS A 1 2 ? -15.346 4.118 -2.921 1.00 87.88 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? -16.139 5.313 -3.293 1.00 83.33 2 A 1 ATOM 18 N N . ILE A 1 3 ? -10.156 3.521 1.425 1.00 98.66 3 A 1 ATOM 19 C CA . ILE A 1 3 ? -9.023 4.066 2.168 1.00 98.70 3 A 1 ATOM 20 C C . ILE A 1 3 ? -8.010 2.984 2.516 1.00 98.77 3 A 1 ATOM 21 O O . ILE A 1 3 ? -6.804 3.164 2.340 1.00 98.57 3 A 1 ATOM 22 C CB . ILE A 1 3 ? -9.494 4.769 3.456 1.00 98.52 3 A 1 ATOM 23 C CG1 . ILE A 1 3 ? -10.528 5.851 3.132 1.00 97.03 3 A 1 ATOM 24 C CG2 . ILE A 1 3 ? -8.304 5.368 4.196 1.00 96.54 3 A 1 ATOM 25 C CD1 . ILE A 1 3 ? -9.999 6.922 2.193 1.00 94.73 3 A 1 ATOM 26 N N . LEU A 1 4 ? -8.494 1.854 3.006 1.00 98.87 4 A 1 ATOM 27 C CA . LEU A 1 4 ? -7.608 0.762 3.397 1.00 98.88 4 A 1 ATOM 28 C C . LEU A 1 4 ? -6.799 0.260 2.214 1.00 98.90 4 A 1 ATOM 29 O O . LEU A 1 4 ? -5.602 0.007 2.333 1.00 98.83 4 A 1 ATOM 30 C CB . LEU A 1 4 ? -8.414 -0.389 3.998 1.00 98.79 4 A 1 ATOM 31 C CG . LEU A 1 4 ? -9.103 -0.055 5.319 1.00 96.05 4 A 1 ATOM 32 C CD1 . LEU A 1 4 ? -9.866 -1.264 5.831 1.00 94.28 4 A 1 ATOM 33 C CD2 . LEU A 1 4 ? -8.089 0.406 6.354 1.00 94.86 4 A 1 ATOM 34 N N . PHE A 1 5 ? -7.437 0.120 1.062 1.00 98.79 5 A 1 ATOM 35 C CA . PHE A 1 5 ? -6.759 -0.365 -0.136 1.00 98.79 5 A 1 ATOM 36 C C . PHE A 1 5 ? -5.634 0.582 -0.537 1.00 98.84 5 A 1 ATOM 37 O O . PHE A 1 5 ? -4.562 0.146 -0.961 1.00 98.75 5 A 1 ATOM 38 C CB . PHE A 1 5 ? -7.755 -0.522 -1.280 1.00 98.63 5 A 1 ATOM 39 C CG . PHE A 1 5 ? -7.241 -1.424 -2.368 1.00 96.92 5 A 1 ATOM 40 C CD1 . PHE A 1 5 ? -6.452 -0.922 -3.387 1.00 94.44 5 A 1 ATOM 41 C CD2 . PHE A 1 5 ? -7.539 -2.777 -2.349 1.00 94.79 5 A 1 ATOM 42 C CE1 . PHE A 1 5 ? -5.961 -1.757 -4.378 1.00 93.92 5 A 1 ATOM 43 C CE2 . PHE A 1 5 ? -7.050 -3.618 -3.338 1.00 93.87 5 A 1 ATOM 44 C CZ . PHE A 1 5 ? -6.260 -3.105 -4.351 1.00 93.63 5 A 1 ATOM 45 N N . VAL A 1 6 ? -5.879 1.874 -0.398 1.00 98.90 6 A 1 ATOM 46 C CA . VAL A 1 6 ? -4.867 2.875 -0.723 1.00 98.91 6 A 1 ATOM 47 C C . VAL A 1 6 ? -3.673 2.737 0.214 1.00 98.93 6 A 1 ATOM 48 O O . VAL A 1 6 ? -2.520 2.798 -0.218 1.00 98.89 6 A 1 ATOM 49 C CB . VAL A 1 6 ? -5.446 4.299 -0.626 1.00 98.84 6 A 1 ATOM 50 C CG1 . VAL A 1 6 ? -4.356 5.344 -0.833 1.00 98.24 6 A 1 ATOM 51 C CG2 . VAL A 1 6 ? -6.550 4.485 -1.655 1.00 98.12 6 A 1 ATOM 52 N N . LEU A 1 7 ? -3.952 2.537 1.493 1.00 98.89 7 A 1 ATOM 53 C CA . LEU A 1 7 ? -2.894 2.382 2.480 1.00 98.90 7 A 1 ATOM 54 C C . LEU A 1 7 ? -2.054 1.151 2.178 1.00 98.93 7 A 1 ATOM 55 O O . LEU A 1 7 ? -0.828 1.180 2.294 1.00 98.91 7 A 1 ATOM 56 C CB . LEU A 1 7 ? -3.495 2.270 3.883 1.00 98.86 7 A 1 ATOM 57 C CG . LEU A 1 7 ? -4.205 3.530 4.368 1.00 95.18 7 A 1 ATOM 58 C CD1 . LEU A 1 7 ? -4.872 3.279 5.715 1.00 93.96 7 A 1 ATOM 59 C CD2 . LEU A 1 7 ? -3.224 4.688 4.478 1.00 95.85 7 A 1 ATOM 60 N N . ILE A 1 8 ? -2.713 0.068 1.792 1.00 98.80 8 A 1 ATOM 61 C CA . ILE A 1 8 ? -2.018 -1.163 1.444 1.00 98.76 8 A 1 ATOM 62 C C . ILE A 1 8 ? -1.142 -0.940 0.219 1.00 98.79 8 A 1 ATOM 63 O O . ILE A 1 8 ? -0.023 -1.449 0.139 1.00 98.75 8 A 1 ATOM 64 C CB . ILE A 1 8 ? -3.019 -2.300 1.178 1.00 98.63 8 A 1 ATOM 65 C CG1 . ILE A 1 8 ? -3.819 -2.613 2.448 1.00 96.88 8 A 1 ATOM 66 C CG2 . ILE A 1 8 ? -2.287 -3.549 0.702 1.00 96.57 8 A 1 ATOM 67 C CD1 . ILE A 1 8 ? -2.943 -3.055 3.613 1.00 91.85 8 A 1 ATOM 68 N N . SER A 1 9 ? -1.644 -0.184 -0.731 1.00 98.82 9 A 1 ATOM 69 C CA . SER A 1 9 ? -0.894 0.115 -1.945 1.00 98.80 9 A 1 ATOM 70 C C . SER A 1 9 ? 0.390 0.873 -1.619 1.00 98.87 9 A 1 ATOM 71 O O . SER A 1 9 ? 1.450 0.591 -2.179 1.00 98.77 9 A 1 ATOM 72 C CB . SER A 1 9 ? -1.745 0.939 -2.904 1.00 98.57 9 A 1 ATOM 73 O OG . SER A 1 9 ? -2.896 0.227 -3.289 1.00 92.49 9 A 1 ATOM 74 N N . ILE A 1 10 ? 0.282 1.821 -0.703 1.00 98.83 10 A 1 ATOM 75 C CA . ILE A 1 10 ? 1.436 2.610 -0.289 1.00 98.82 10 A 1 ATOM 76 C C . ILE A 1 10 ? 2.456 1.716 0.406 1.00 98.84 10 A 1 ATOM 77 O O . ILE A 1 10 ? 3.658 1.798 0.142 1.00 98.71 10 A 1 ATOM 78 C CB . ILE A 1 10 ? 1.014 3.755 0.649 1.00 98.73 10 A 1 ATOM 79 C CG1 . ILE A 1 10 ? 0.109 4.741 -0.092 1.00 97.83 10 A 1 ATOM 80 C CG2 . ILE A 1 10 ? 2.246 4.478 1.193 1.00 97.66 10 A 1 ATOM 81 C CD1 . ILE A 1 10 ? -0.540 5.766 0.814 1.00 94.80 10 A 1 ATOM 82 N N . LEU A 1 11 ? 1.974 0.860 1.282 1.00 98.88 11 A 1 ATOM 83 C CA . LEU A 1 11 ? 2.847 -0.059 2.002 1.00 98.86 11 A 1 ATOM 84 C C . LEU A 1 11 ? 3.566 -0.983 1.032 1.00 98.87 11 A 1 ATOM 85 O O . LEU A 1 11 ? 4.762 -1.248 1.177 1.00 98.78 11 A 1 ATOM 86 C CB . LEU A 1 11 ? 2.028 -0.884 2.995 1.00 98.74 11 A 1 ATOM 87 C CG . LEU A 1 11 ? 2.859 -1.831 3.853 1.00 96.02 11 A 1 ATOM 88 C CD1 . LEU A 1 11 ? 3.849 -1.052 4.704 1.00 92.66 11 A 1 ATOM 89 C CD2 . LEU A 1 11 ? 1.954 -2.673 4.738 1.00 94.79 11 A 1 ATOM 90 N N . HIS A 1 12 ? 2.847 -1.475 0.052 1.00 98.81 12 A 1 ATOM 91 C CA . HIS A 1 12 ? 3.429 -2.359 -0.953 1.00 98.78 12 A 1 ATOM 92 C C . HIS A 1 12 ? 4.492 -1.628 -1.764 1.00 98.83 12 A 1 ATOM 93 O O . HIS A 1 12 ? 5.513 -2.210 -2.127 1.00 98.68 12 A 1 ATOM 94 C CB . HIS A 1 12 ? 2.344 -2.896 -1.884 1.00 98.61 12 A 1 ATOM 95 C CG . HIS A 1 12 ? 2.842 -3.983 -2.793 1.00 97.24 12 A 1 ATOM 96 N ND1 . HIS A 1 12 ? 3.378 -3.746 -4.032 1.00 90.68 12 A 1 ATOM 97 C CD2 . HIS A 1 12 ? 2.889 -5.321 -2.619 1.00 93.74 12 A 1 ATOM 98 C CE1 . HIS A 1 12 ? 3.732 -4.907 -4.575 1.00 92.58 12 A 1 ATOM 99 N NE2 . HIS A 1 12 ? 3.448 -5.880 -3.746 1.00 93.92 12 A 1 ATOM 100 N N . ALA A 1 13 ? 4.250 -0.360 -2.043 1.00 98.89 13 A 1 ATOM 101 C CA . ALA A 1 13 ? 5.200 0.450 -2.798 1.00 98.88 13 A 1 ATOM 102 C C . ALA A 1 13 ? 6.521 0.574 -2.049 1.00 98.89 13 A 1 ATOM 103 O O . ALA A 1 13 ? 7.590 0.569 -2.658 1.00 98.68 13 A 1 ATOM 104 C CB . ALA A 1 13 ? 4.619 1.830 -3.065 1.00 98.73 13 A 1 ATOM 105 N N . VAL A 1 14 ? 6.443 0.680 -0.726 1.00 98.85 14 A 1 ATOM 106 C CA . VAL A 1 14 ? 7.638 0.786 0.104 1.00 98.83 14 A 1 ATOM 107 C C . VAL A 1 14 ? 8.362 -0.551 0.185 1.00 98.83 14 A 1 ATOM 108 O O . VAL A 1 14 ? 9.594 -0.605 0.136 1.00 98.43 14 A 1 ATOM 109 C CB . VAL A 1 14 ? 7.285 1.263 1.518 1.00 98.62 14 A 1 ATOM 110 C CG1 . VAL A 1 14 ? 8.530 1.300 2.396 1.00 96.19 14 A 1 ATOM 111 C CG2 . VAL A 1 14 ? 6.643 2.634 1.461 1.00 96.77 14 A 1 ATOM 112 N N . TYR A 1 15 ? 7.590 -1.617 0.324 1.00 98.73 15 A 1 ATOM 113 C CA . TYR A 1 15 ? 8.158 -2.958 0.423 1.00 98.66 15 A 1 ATOM 114 C C . TYR A 1 15 ? 8.742 -3.428 -0.903 1.00 98.56 15 A 1 ATOM 115 O O . TYR A 1 15 ? 9.838 -3.988 -0.945 1.00 97.91 15 A 1 ATOM 116 C CB . TYR A 1 15 ? 7.086 -3.952 0.887 1.00 98.41 15 A 1 ATOM 117 C CG . TYR A 1 15 ? 7.114 -4.194 2.378 1.00 96.68 15 A 1 ATOM 118 C CD1 . TYR A 1 15 ? 6.471 -3.332 3.249 1.00 95.22 15 A 1 ATOM 119 C CD2 . TYR A 1 15 ? 7.786 -5.287 2.898 1.00 95.02 15 A 1 ATOM 120 C CE1 . TYR A 1 15 ? 6.499 -3.554 4.619 1.00 95.03 15 A 1 ATOM 121 C CE2 . TYR A 1 15 ? 7.820 -5.518 4.268 1.00 94.87 15 A 1 ATOM 122 C CZ . TYR A 1 15 ? 7.173 -4.647 5.122 1.00 95.16 15 A 1 ATOM 123 O OH . TYR A 1 15 ? 7.204 -4.873 6.474 1.00 93.76 15 A 1 ATOM 124 N N . CYS A 1 16 ? 8.012 -3.202 -1.967 1.00 97.53 16 A 1 ATOM 125 C CA . CYS A 1 16 ? 8.420 -3.640 -3.299 1.00 96.71 16 A 1 ATOM 126 C C . CYS A 1 16 ? 9.727 -2.972 -3.730 1.00 96.10 16 A 1 ATOM 127 O O . CYS A 1 16 ? 10.650 -3.707 -4.133 1.00 94.54 16 A 1 ATOM 128 C CB . CYS A 1 16 ? 7.319 -3.346 -4.321 1.00 94.77 16 A 1 ATOM 129 S SG . CYS A 1 16 ? 7.694 -3.997 -5.956 1.00 89.93 16 A 1 ATOM 130 O OXT . CYS A 1 16 ? 9.813 -1.742 -3.688 1.00 86.39 16 A 1 #