# 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_spkb19545 # _entry.id spkb19545 # 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" "C3 H7 N O2 S" 121.158 CYS y CYSTEINE C([C@@H](C(=O)O)N)S ? "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" "C4 H9 N O3" 119.119 THR y THREONINE C[C@H]([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 ILE 2 1 n ARG 3 1 n ILE 4 1 n PHE 5 1 n ALA 6 1 n LEU 7 1 n ILE 8 1 n THR 9 1 n ALA 10 1 n LEU 11 1 n ALA 12 1 n ILE 13 1 n THR 14 1 n VAL 15 1 n LYS 16 1 n CYS 17 # _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 @ 2025-07-06 03:01:24)" _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 93.33 _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 88.71 1 1 A ILE 2 2 92.12 1 2 A ARG 3 2 85.06 1 3 A ILE 4 2 95.04 1 4 A PHE 5 2 91.95 1 5 A ALA 6 2 97.71 1 6 A LEU 7 2 95.52 1 7 A ILE 8 2 95.66 1 8 A THR 9 2 95.91 1 9 A ALA 10 2 97.99 1 10 A LEU 11 2 95.95 1 11 A ALA 12 2 98.00 1 12 A ILE 13 2 95.95 1 13 A THR 14 2 95.66 1 14 A VAL 15 2 95.58 1 15 A LYS 16 2 89.78 1 16 A CYS 17 2 89.75 1 17 # _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 ILE . 2 A 2 A 3 1 n ARG . 3 A 3 A 4 1 n ILE . 4 A 4 A 5 1 n PHE . 5 A 5 A 6 1 n ALA . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n ILE . 8 A 8 A 9 1 n THR . 9 A 9 A 10 1 n ALA . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n ALA . 12 A 12 A 13 1 n ILE . 13 A 13 A 14 1 n THR . 14 A 14 A 15 1 n VAL . 15 A 15 A 16 1 n LYS . 16 A 16 A 17 1 n CYS . 17 A 17 # _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 ? -10.544 -0.102 0.205 1.00 93.89 1 A 1 ATOM 2 C CA . MET A 1 1 ? -9.347 -0.880 0.565 1.00 94.78 1 A 1 ATOM 3 C C . MET A 1 1 ? -8.300 -0.829 -0.540 1.00 95.14 1 A 1 ATOM 4 O O . MET A 1 1 ? -7.110 -0.800 -0.266 1.00 93.73 1 A 1 ATOM 5 C CB . MET A 1 1 ? -9.727 -2.337 0.841 1.00 91.32 1 A 1 ATOM 6 C CG . MET A 1 1 ? -9.788 -2.625 2.326 1.00 84.22 1 A 1 ATOM 7 S SD . MET A 1 1 ? -10.133 -4.337 2.670 1.00 82.99 1 A 1 ATOM 8 C CE . MET A 1 1 ? -9.894 -4.336 4.447 1.00 73.61 1 A 1 ATOM 9 N N . ILE A 1 2 ? -8.775 -0.844 -1.767 1.00 94.03 2 A 1 ATOM 10 C CA . ILE A 1 2 ? -7.861 -0.799 -2.906 1.00 95.42 2 A 1 ATOM 11 C C . ILE A 1 2 ? -7.270 0.594 -3.097 1.00 96.44 2 A 1 ATOM 12 O O . ILE A 1 2 ? -6.084 0.745 -3.402 1.00 94.99 2 A 1 ATOM 13 C CB . ILE A 1 2 ? -8.587 -1.256 -4.186 1.00 94.33 2 A 1 ATOM 14 C CG1 . ILE A 1 2 ? -7.589 -1.465 -5.318 1.00 89.51 2 A 1 ATOM 15 C CG2 . ILE A 1 2 ? -9.655 -0.232 -4.595 1.00 88.96 2 A 1 ATOM 16 C CD1 . ILE A 1 2 ? -7.002 -2.838 -5.333 1.00 83.27 2 A 1 ATOM 17 N N . ARG A 1 3 ? -8.100 1.601 -2.920 1.00 94.74 3 A 1 ATOM 18 C CA . ARG A 1 3 ? -7.649 2.988 -3.086 1.00 94.89 3 A 1 ATOM 19 C C . ARG A 1 3 ? -6.755 3.408 -1.929 1.00 95.67 3 A 1 ATOM 20 O O . ARG A 1 3 ? -5.746 4.083 -2.125 1.00 94.26 3 A 1 ATOM 21 C CB . ARG A 1 3 ? -8.853 3.927 -3.177 1.00 93.56 3 A 1 ATOM 22 C CG . ARG A 1 3 ? -9.554 3.826 -4.521 1.00 86.32 3 A 1 ATOM 23 C CD . ARG A 1 3 ? -10.692 4.822 -4.601 1.00 85.09 3 A 1 ATOM 24 N NE . ARG A 1 3 ? -11.375 4.752 -5.889 1.00 77.93 3 A 1 ATOM 25 C CZ . ARG A 1 3 ? -12.479 5.433 -6.176 1.00 75.75 3 A 1 ATOM 26 N NH1 . ARG A 1 3 ? -13.025 6.233 -5.278 1.00 68.30 3 A 1 ATOM 27 N NH2 . ARG A 1 3 ? -13.036 5.307 -7.362 1.00 69.16 3 A 1 ATOM 28 N N . ILE A 1 4 ? -7.119 3.001 -0.729 1.00 96.99 4 A 1 ATOM 29 C CA . ILE A 1 4 ? -6.336 3.325 0.459 1.00 97.10 4 A 1 ATOM 30 C C . ILE A 1 4 ? -4.973 2.647 0.396 1.00 97.30 4 A 1 ATOM 31 O O . ILE A 1 4 ? -4.020 3.067 1.048 1.00 96.67 4 A 1 ATOM 32 C CB . ILE A 1 4 ? -7.082 2.894 1.735 1.00 96.94 4 A 1 ATOM 33 C CG1 . ILE A 1 4 ? -8.512 3.460 1.728 1.00 93.83 4 A 1 ATOM 34 C CG2 . ILE A 1 4 ? -6.349 3.382 2.982 1.00 92.82 4 A 1 ATOM 35 C CD1 . ILE A 1 4 ? -8.547 4.976 1.669 1.00 88.70 4 A 1 ATOM 36 N N . PHE A 1 5 ? -4.888 1.601 -0.390 1.00 95.50 5 A 1 ATOM 37 C CA . PHE A 1 5 ? -3.640 0.856 -0.544 1.00 95.84 5 A 1 ATOM 38 C C . PHE A 1 5 ? -2.506 1.783 -0.967 1.00 96.74 5 A 1 ATOM 39 O O . PHE A 1 5 ? -1.377 1.648 -0.495 1.00 96.26 5 A 1 ATOM 40 C CB . PHE A 1 5 ? -3.828 -0.237 -1.588 1.00 95.58 5 A 1 ATOM 41 C CG . PHE A 1 5 ? -2.631 -1.141 -1.673 1.00 92.00 5 A 1 ATOM 42 C CD1 . PHE A 1 5 ? -1.597 -0.864 -2.553 1.00 88.58 5 A 1 ATOM 43 C CD2 . PHE A 1 5 ? -2.542 -2.263 -0.866 1.00 88.80 5 A 1 ATOM 44 C CE1 . PHE A 1 5 ? -0.486 -1.692 -2.627 1.00 87.82 5 A 1 ATOM 45 C CE2 . PHE A 1 5 ? -1.433 -3.095 -0.936 1.00 87.65 5 A 1 ATOM 46 C CZ . PHE A 1 5 ? -0.405 -2.807 -1.818 1.00 86.69 5 A 1 ATOM 47 N N . ALA A 1 6 ? -2.824 2.714 -1.838 1.00 97.80 6 A 1 ATOM 48 C CA . ALA A 1 6 ? -1.824 3.668 -2.313 1.00 97.77 6 A 1 ATOM 49 C C . ALA A 1 6 ? -1.297 4.527 -1.169 1.00 98.03 6 A 1 ATOM 50 O O . ALA A 1 6 ? -0.111 4.848 -1.116 1.00 97.57 6 A 1 ATOM 51 C CB . ALA A 1 6 ? -2.434 4.552 -3.392 1.00 97.38 6 A 1 ATOM 52 N N . LEU A 1 7 ? -2.186 4.883 -0.259 1.00 97.95 7 A 1 ATOM 53 C CA . LEU A 1 7 ? -1.805 5.704 0.889 1.00 97.99 7 A 1 ATOM 54 C C . LEU A 1 7 ? -1.009 4.891 1.900 1.00 98.18 7 A 1 ATOM 55 O O . LEU A 1 7 ? 0.003 5.354 2.426 1.00 97.84 7 A 1 ATOM 56 C CB . LEU A 1 7 ? -3.059 6.280 1.549 1.00 97.84 7 A 1 ATOM 57 C CG . LEU A 1 7 ? -2.754 7.353 2.590 1.00 93.47 7 A 1 ATOM 58 C CD1 . LEU A 1 7 ? -2.577 8.708 1.915 1.00 89.96 7 A 1 ATOM 59 C CD2 . LEU A 1 7 ? -3.870 7.432 3.619 1.00 90.89 7 A 1 ATOM 60 N N . ILE A 1 8 ? -1.474 3.695 2.171 1.00 97.42 8 A 1 ATOM 61 C CA . ILE A 1 8 ? -0.811 2.825 3.138 1.00 97.48 8 A 1 ATOM 62 C C . ILE A 1 8 ? 0.519 2.318 2.594 1.00 97.70 8 A 1 ATOM 63 O O . ILE A 1 8 ? 1.527 2.313 3.300 1.00 97.50 8 A 1 ATOM 64 C CB . ILE A 1 8 ? -1.719 1.638 3.503 1.00 97.50 8 A 1 ATOM 65 C CG1 . ILE A 1 8 ? -3.014 2.139 4.146 1.00 95.12 8 A 1 ATOM 66 C CG2 . ILE A 1 8 ? -0.988 0.702 4.468 1.00 94.23 8 A 1 ATOM 67 C CD1 . ILE A 1 8 ? -4.057 1.052 4.287 1.00 88.29 8 A 1 ATOM 68 N N . THR A 1 9 ? 0.510 1.900 1.356 1.00 98.02 9 A 1 ATOM 69 C CA . THR A 1 9 ? 1.722 1.362 0.739 1.00 97.86 9 A 1 ATOM 70 C C . THR A 1 9 ? 2.801 2.437 0.645 1.00 98.07 9 A 1 ATOM 71 O O . THR A 1 9 ? 3.986 2.153 0.808 1.00 97.73 9 A 1 ATOM 72 C CB . THR A 1 9 ? 1.413 0.787 -0.652 1.00 97.33 9 A 1 ATOM 73 O OG1 . THR A 1 9 ? 2.485 -0.065 -1.054 1.00 92.04 9 A 1 ATOM 74 C CG2 . THR A 1 9 ? 1.245 1.874 -1.696 1.00 90.34 9 A 1 ATOM 75 N N . ALA A 1 10 ? 2.385 3.658 0.394 1.00 98.22 10 A 1 ATOM 76 C CA . ALA A 1 10 ? 3.325 4.769 0.285 1.00 98.09 10 A 1 ATOM 77 C C . ALA A 1 10 ? 4.042 4.995 1.612 1.00 98.27 10 A 1 ATOM 78 O O . ALA A 1 10 ? 5.256 5.181 1.644 1.00 97.69 10 A 1 ATOM 79 C CB . ALA A 1 10 ? 2.588 6.032 -0.137 1.00 97.69 10 A 1 ATOM 80 N N . LEU A 1 11 ? 3.284 4.971 2.699 1.00 98.11 11 A 1 ATOM 81 C CA . LEU A 1 11 ? 3.856 5.155 4.027 1.00 97.97 11 A 1 ATOM 82 C C . LEU A 1 11 ? 4.666 3.937 4.440 1.00 98.23 11 A 1 ATOM 83 O O . LEU A 1 11 ? 5.715 4.067 5.068 1.00 97.90 11 A 1 ATOM 84 C CB . LEU A 1 11 ? 2.743 5.405 5.042 1.00 97.67 11 A 1 ATOM 85 C CG . LEU A 1 11 ? 2.685 6.848 5.517 1.00 94.66 11 A 1 ATOM 86 C CD1 . LEU A 1 11 ? 1.740 7.656 4.643 1.00 90.81 11 A 1 ATOM 87 C CD2 . LEU A 1 11 ? 2.239 6.908 6.970 1.00 92.22 11 A 1 ATOM 88 N N . ALA A 1 12 ? 4.166 2.773 4.096 1.00 98.14 12 A 1 ATOM 89 C CA . ALA A 1 12 ? 4.840 1.526 4.437 1.00 98.10 12 A 1 ATOM 90 C C . ALA A 1 12 ? 6.233 1.473 3.819 1.00 98.25 12 A 1 ATOM 91 O O . ALA A 1 12 ? 7.191 1.067 4.468 1.00 97.78 12 A 1 ATOM 92 C CB . ALA A 1 12 ? 4.004 0.347 3.958 1.00 97.72 12 A 1 ATOM 93 N N . ILE A 1 13 ? 6.337 1.883 2.580 1.00 98.08 13 A 1 ATOM 94 C CA . ILE A 1 13 ? 7.618 1.887 1.877 1.00 97.91 13 A 1 ATOM 95 C C . ILE A 1 13 ? 8.566 2.914 2.488 1.00 98.02 13 A 1 ATOM 96 O O . ILE A 1 13 ? 9.768 2.672 2.609 1.00 97.28 13 A 1 ATOM 97 C CB . ILE A 1 13 ? 7.410 2.186 0.383 1.00 97.58 13 A 1 ATOM 98 C CG1 . ILE A 1 13 ? 6.590 1.075 -0.278 1.00 94.59 13 A 1 ATOM 99 C CG2 . ILE A 1 13 ? 8.761 2.319 -0.320 1.00 94.14 13 A 1 ATOM 100 C CD1 . ILE A 1 13 ? 5.989 1.495 -1.607 1.00 90.00 13 A 1 ATOM 101 N N . THR A 1 14 ? 8.017 4.039 2.863 1.00 98.19 14 A 1 ATOM 102 C CA . THR A 1 14 ? 8.817 5.108 3.459 1.00 97.97 14 A 1 ATOM 103 C C . THR A 1 14 ? 9.389 4.673 4.802 1.00 97.92 14 A 1 ATOM 104 O O . THR A 1 14 ? 10.559 4.927 5.094 1.00 96.70 14 A 1 ATOM 105 C CB . THR A 1 14 ? 7.959 6.363 3.658 1.00 97.28 14 A 1 ATOM 106 O OG1 . THR A 1 14 ? 7.386 6.752 2.416 1.00 91.39 14 A 1 ATOM 107 C CG2 . THR A 1 14 ? 8.804 7.517 4.180 1.00 90.17 14 A 1 ATOM 108 N N . VAL A 1 15 ? 8.558 4.037 5.614 1.00 97.84 15 A 1 ATOM 109 C CA . VAL A 1 15 ? 8.994 3.567 6.926 1.00 97.63 15 A 1 ATOM 110 C C . VAL A 1 15 ? 9.858 2.323 6.795 1.00 97.60 15 A 1 ATOM 111 O O . VAL A 1 15 ? 11.021 2.330 7.205 1.00 96.32 15 A 1 ATOM 112 C CB . VAL A 1 15 ? 7.783 3.281 7.827 1.00 96.89 15 A 1 ATOM 113 C CG1 . VAL A 1 15 ? 8.247 2.763 9.179 1.00 90.70 15 A 1 ATOM 114 C CG2 . VAL A 1 15 ? 6.953 4.538 8.011 1.00 92.09 15 A 1 ATOM 115 N N . LYS A 1 16 ? 9.260 1.282 6.239 1.00 97.12 16 A 1 ATOM 116 C CA . LYS A 1 16 ? 9.905 -0.021 6.032 1.00 96.06 16 A 1 ATOM 117 C C . LYS A 1 16 ? 10.839 -0.386 7.186 1.00 95.02 16 A 1 ATOM 118 O O . LYS A 1 16 ? 11.477 0.471 7.786 1.00 91.38 16 A 1 ATOM 119 C CB . LYS A 1 16 ? 10.667 -0.028 4.699 1.00 95.11 16 A 1 ATOM 120 C CG . LYS A 1 16 ? 11.763 1.020 4.649 1.00 89.28 16 A 1 ATOM 121 C CD . LYS A 1 16 ? 12.348 1.122 3.258 1.00 87.52 16 A 1 ATOM 122 C CE . LYS A 1 16 ? 13.397 2.215 3.195 1.00 82.48 16 A 1 ATOM 123 N NZ . LYS A 1 16 ? 13.899 2.400 1.806 1.00 74.02 16 A 1 ATOM 124 N N . CYS A 1 17 ? 10.921 -1.674 7.481 1.00 96.22 17 A 1 ATOM 125 C CA . CYS A 1 17 ? 11.758 -2.139 8.591 1.00 94.80 17 A 1 ATOM 126 C C . CYS A 1 17 ? 13.195 -2.408 8.126 1.00 93.30 17 A 1 ATOM 127 O O . CYS A 1 17 ? 14.126 -2.276 8.919 1.00 88.52 17 A 1 ATOM 128 C CB . CYS A 1 17 ? 11.137 -3.399 9.200 1.00 90.96 17 A 1 ATOM 129 S SG . CYS A 1 17 ? 10.304 -3.049 10.772 1.00 83.34 17 A 1 ATOM 130 O OXT . CYS A 1 17 ? 13.390 -2.782 6.967 1.00 81.14 17 A 1 #