# 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_spkb18494 # _entry.id spkb18494 # 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" "C4 H8 N2 O3" 132.118 ASN y ASPARAGINE C([C@@H](C(=O)O)N)C(=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 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" "C3 H7 N O3" 105.093 SER y SERINE C([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 SER 2 1 n ASN 3 1 n LYS 4 1 n ILE 5 1 n ALA 6 1 n ILE 7 1 n LEU 8 1 n LEU 9 1 n LEU 10 1 n ALA 11 1 n VAL 12 1 n VAL 13 1 n VAL 14 1 n ALA 15 1 n VAL 16 1 n VAL 17 1 n ALA 18 1 n CYS 19 # _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 @ 2025-07-05 16:46:30)" _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 95.79 _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 86.43 1 1 A SER 2 2 93.04 1 2 A ASN 3 2 94.33 1 3 A LYS 4 2 94.08 1 4 A ILE 5 2 96.11 1 5 A ALA 6 2 98.28 1 6 A ILE 7 2 96.76 1 7 A LEU 8 2 96.51 1 8 A LEU 9 2 95.97 1 9 A LEU 10 2 96.37 1 10 A ALA 11 2 98.57 1 11 A VAL 12 2 98.10 1 12 A VAL 13 2 98.09 1 13 A VAL 14 2 98.00 1 14 A ALA 15 2 98.80 1 15 A VAL 16 2 98.20 1 16 A VAL 17 2 97.74 1 17 A ALA 18 2 98.35 1 18 A CYS 19 2 90.65 1 19 # _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 SER . 2 A 2 A 3 1 n ASN . 3 A 3 A 4 1 n LYS . 4 A 4 A 5 1 n ILE . 5 A 5 A 6 1 n ALA . 6 A 6 A 7 1 n ILE . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n ALA . 11 A 11 A 12 1 n VAL . 12 A 12 A 13 1 n VAL . 13 A 13 A 14 1 n VAL . 14 A 14 A 15 1 n ALA . 15 A 15 A 16 1 n VAL . 16 A 16 A 17 1 n VAL . 17 A 17 A 18 1 n ALA . 18 A 18 A 19 1 n CYS . 19 A 19 # _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 ? -1.665 0.643 -15.084 1.00 91.33 1 A 1 ATOM 2 C CA . MET A 1 1 ? -1.938 0.651 -13.635 1.00 92.23 1 A 1 ATOM 3 C C . MET A 1 1 ? -3.221 1.404 -13.333 1.00 92.80 1 A 1 ATOM 4 O O . MET A 1 1 ? -3.283 2.613 -13.541 1.00 91.41 1 A 1 ATOM 5 C CB . MET A 1 1 ? -0.807 1.344 -12.886 1.00 88.15 1 A 1 ATOM 6 C CG . MET A 1 1 ? 0.480 0.562 -12.934 1.00 83.02 1 A 1 ATOM 7 S SD . MET A 1 1 ? 1.761 1.363 -11.974 1.00 80.53 1 A 1 ATOM 8 C CE . MET A 1 1 ? 3.201 0.626 -12.705 1.00 71.96 1 A 1 ATOM 9 N N . SER A 1 2 ? -4.213 0.709 -12.869 1.00 94.24 2 A 1 ATOM 10 C CA . SER A 1 2 ? -5.489 1.335 -12.540 1.00 95.50 2 A 1 ATOM 11 C C . SER A 1 2 ? -5.771 1.173 -11.044 1.00 96.37 2 A 1 ATOM 12 O O . SER A 1 2 ? -6.267 0.140 -10.604 1.00 95.27 2 A 1 ATOM 13 C CB . SER A 1 2 ? -6.614 0.717 -13.358 1.00 93.68 2 A 1 ATOM 14 O OG . SER A 1 2 ? -7.794 1.502 -13.257 1.00 83.17 2 A 1 ATOM 15 N N . ASN A 1 3 ? -5.427 2.208 -10.264 1.00 96.73 3 A 1 ATOM 16 C CA . ASN A 1 3 ? -5.649 2.177 -8.817 1.00 97.52 3 A 1 ATOM 17 C C . ASN A 1 3 ? -4.878 1.037 -8.150 1.00 98.01 3 A 1 ATOM 18 O O . ASN A 1 3 ? -5.274 0.546 -7.095 1.00 97.71 3 A 1 ATOM 19 C CB . ASN A 1 3 ? -7.148 2.036 -8.524 1.00 96.48 3 A 1 ATOM 20 C CG . ASN A 1 3 ? -7.947 3.199 -9.087 1.00 92.28 3 A 1 ATOM 21 O OD1 . ASN A 1 3 ? -8.315 3.188 -10.244 1.00 89.13 3 A 1 ATOM 22 N ND2 . ASN A 1 3 ? -8.228 4.196 -8.265 1.00 86.75 3 A 1 ATOM 23 N N . LYS A 1 4 ? -3.774 0.611 -8.764 1.00 98.04 4 A 1 ATOM 24 C CA . LYS A 1 4 ? -2.967 -0.474 -8.203 1.00 98.25 4 A 1 ATOM 25 C C . LYS A 1 4 ? -2.048 0.061 -7.113 1.00 98.39 4 A 1 ATOM 26 O O . LYS A 1 4 ? -1.875 -0.560 -6.070 1.00 98.19 4 A 1 ATOM 27 C CB . LYS A 1 4 ? -2.137 -1.126 -9.314 1.00 98.00 4 A 1 ATOM 28 C CG . LYS A 1 4 ? -2.997 -1.899 -10.299 1.00 95.79 4 A 1 ATOM 29 C CD . LYS A 1 4 ? -3.562 -3.160 -9.662 1.00 91.74 4 A 1 ATOM 30 C CE . LYS A 1 4 ? -4.342 -3.981 -10.670 1.00 87.17 4 A 1 ATOM 31 N NZ . LYS A 1 4 ? -4.927 -5.181 -10.033 1.00 81.12 4 A 1 ATOM 32 N N . ILE A 1 5 ? -1.464 1.226 -7.350 1.00 97.87 5 A 1 ATOM 33 C CA . ILE A 1 5 ? -0.560 1.850 -6.388 1.00 97.82 5 A 1 ATOM 34 C C . ILE A 1 5 ? -1.313 2.223 -5.114 1.00 98.04 5 A 1 ATOM 35 O O . ILE A 1 5 ? -0.786 2.107 -4.007 1.00 97.92 5 A 1 ATOM 36 C CB . ILE A 1 5 ? 0.099 3.101 -6.993 1.00 97.68 5 A 1 ATOM 37 C CG1 . ILE A 1 5 ? 0.836 2.751 -8.285 1.00 95.57 5 A 1 ATOM 38 C CG2 . ILE A 1 5 ? 1.078 3.715 -5.991 1.00 94.72 5 A 1 ATOM 39 C CD1 . ILE A 1 5 ? 1.190 3.982 -9.102 1.00 89.29 5 A 1 ATOM 40 N N . ALA A 1 6 ? -2.552 2.677 -5.277 1.00 98.24 6 A 1 ATOM 41 C CA . ALA A 1 6 ? -3.373 3.064 -4.132 1.00 98.29 6 A 1 ATOM 42 C C . ALA A 1 6 ? -3.612 1.873 -3.204 1.00 98.46 6 A 1 ATOM 43 O O . ALA A 1 6 ? -3.564 2.004 -1.982 1.00 98.35 6 A 1 ATOM 44 C CB . ALA A 1 6 ? -4.704 3.621 -4.623 1.00 98.08 6 A 1 ATOM 45 N N . ILE A 1 7 ? -3.870 0.705 -3.785 1.00 98.16 7 A 1 ATOM 46 C CA . ILE A 1 7 ? -4.116 -0.510 -3.012 1.00 98.11 7 A 1 ATOM 47 C C . ILE A 1 7 ? -2.867 -0.912 -2.235 1.00 98.32 7 A 1 ATOM 48 O O . ILE A 1 7 ? -2.938 -1.272 -1.061 1.00 98.25 7 A 1 ATOM 49 C CB . ILE A 1 7 ? -4.555 -1.660 -3.935 1.00 97.98 7 A 1 ATOM 50 C CG1 . ILE A 1 7 ? -5.806 -1.264 -4.740 1.00 96.29 7 A 1 ATOM 51 C CG2 . ILE A 1 7 ? -4.843 -2.914 -3.101 1.00 95.76 7 A 1 ATOM 52 C CD1 . ILE A 1 7 ? -7.005 -0.964 -3.858 1.00 91.21 7 A 1 ATOM 53 N N . LEU A 1 8 ? -1.717 -0.860 -2.897 1.00 98.03 8 A 1 ATOM 54 C CA . LEU A 1 8 ? -0.449 -1.214 -2.262 1.00 98.01 8 A 1 ATOM 55 C C . LEU A 1 8 ? -0.144 -0.273 -1.102 1.00 98.40 8 A 1 ATOM 56 O O . LEU A 1 8 ? 0.236 -0.713 -0.018 1.00 98.49 8 A 1 ATOM 57 C CB . LEU A 1 8 ? 0.686 -1.159 -3.286 1.00 97.98 8 A 1 ATOM 58 C CG . LEU A 1 8 ? 1.017 -2.524 -3.890 1.00 94.44 8 A 1 ATOM 59 C CD1 . LEU A 1 8 ? 0.056 -2.852 -5.024 1.00 92.83 8 A 1 ATOM 60 C CD2 . LEU A 1 8 ? 2.454 -2.559 -4.388 1.00 93.89 8 A 1 ATOM 61 N N . LEU A 1 9 ? -0.316 1.019 -1.331 1.00 98.11 9 A 1 ATOM 62 C CA . LEU A 1 9 ? -0.055 2.018 -0.298 1.00 98.22 9 A 1 ATOM 63 C C . LEU A 1 9 ? -0.972 1.806 0.899 1.00 98.50 9 A 1 ATOM 64 O O . LEU A 1 9 ? -0.540 1.891 2.049 1.00 98.57 9 A 1 ATOM 65 C CB . LEU A 1 9 ? -0.273 3.419 -0.882 1.00 98.13 9 A 1 ATOM 66 C CG . LEU A 1 9 ? 0.911 3.912 -1.717 1.00 91.75 9 A 1 ATOM 67 C CD1 . LEU A 1 9 ? 0.478 5.032 -2.656 1.00 91.30 9 A 1 ATOM 68 C CD2 . LEU A 1 9 ? 2.024 4.403 -0.803 1.00 93.18 9 A 1 ATOM 69 N N . LEU A 1 10 ? -2.234 1.529 0.626 1.00 98.35 10 A 1 ATOM 70 C CA . LEU A 1 10 ? -3.211 1.298 1.688 1.00 98.35 10 A 1 ATOM 71 C C . LEU A 1 10 ? -2.816 0.082 2.523 1.00 98.58 10 A 1 ATOM 72 O O . LEU A 1 10 ? -2.895 0.107 3.750 1.00 98.51 10 A 1 ATOM 73 C CB . LEU A 1 10 ? -4.599 1.077 1.075 1.00 98.05 10 A 1 ATOM 74 C CG . LEU A 1 10 ? -5.727 1.092 2.107 1.00 94.30 10 A 1 ATOM 75 C CD1 . LEU A 1 10 ? -5.984 2.516 2.598 1.00 91.97 10 A 1 ATOM 76 C CD2 . LEU A 1 10 ? -7.000 0.514 1.503 1.00 92.85 10 A 1 ATOM 77 N N . ALA A 1 11 ? -2.391 -0.986 1.855 1.00 98.58 11 A 1 ATOM 78 C CA . ALA A 1 11 ? -1.991 -2.213 2.542 1.00 98.61 11 A 1 ATOM 79 C C . ALA A 1 11 ? -0.794 -1.962 3.456 1.00 98.72 11 A 1 ATOM 80 O O . ALA A 1 11 ? -0.750 -2.457 4.584 1.00 98.55 11 A 1 ATOM 81 C CB . ALA A 1 11 ? -1.657 -3.289 1.513 1.00 98.37 11 A 1 ATOM 82 N N . VAL A 1 12 ? 0.172 -1.196 2.977 1.00 98.68 12 A 1 ATOM 83 C CA . VAL A 1 12 ? 1.367 -0.883 3.760 1.00 98.69 12 A 1 ATOM 84 C C . VAL A 1 12 ? 0.999 -0.063 4.991 1.00 98.78 12 A 1 ATOM 85 O O . VAL A 1 12 ? 1.472 -0.336 6.096 1.00 98.58 12 A 1 ATOM 86 C CB . VAL A 1 12 ? 2.396 -0.115 2.910 1.00 98.43 12 A 1 ATOM 87 C CG1 . VAL A 1 12 ? 3.590 0.316 3.757 1.00 96.84 12 A 1 ATOM 88 C CG2 . VAL A 1 12 ? 2.876 -0.987 1.752 1.00 96.72 12 A 1 ATOM 89 N N . VAL A 1 13 ? 0.162 0.939 4.802 1.00 98.67 13 A 1 ATOM 90 C CA . VAL A 1 13 ? -0.262 1.800 5.908 1.00 98.67 13 A 1 ATOM 91 C C . VAL A 1 13 ? -0.984 0.984 6.974 1.00 98.75 13 A 1 ATOM 92 O O . VAL A 1 13 ? -0.726 1.137 8.170 1.00 98.54 13 A 1 ATOM 93 C CB . VAL A 1 13 ? -1.179 2.926 5.401 1.00 98.39 13 A 1 ATOM 94 C CG1 . VAL A 1 13 ? -1.733 3.737 6.568 1.00 96.76 13 A 1 ATOM 95 C CG2 . VAL A 1 13 ? -0.410 3.841 4.455 1.00 96.85 13 A 1 ATOM 96 N N . VAL A 1 14 ? -1.887 0.126 6.548 1.00 98.73 14 A 1 ATOM 97 C CA . VAL A 1 14 ? -2.647 -0.712 7.477 1.00 98.69 14 A 1 ATOM 98 C C . VAL A 1 14 ? -1.713 -1.634 8.254 1.00 98.77 14 A 1 ATOM 99 O O . VAL A 1 14 ? -1.866 -1.814 9.464 1.00 98.55 14 A 1 ATOM 100 C CB . VAL A 1 14 ? -3.694 -1.553 6.723 1.00 98.36 14 A 1 ATOM 101 C CG1 . VAL A 1 14 ? -4.389 -2.528 7.669 1.00 96.35 14 A 1 ATOM 102 C CG2 . VAL A 1 14 ? -4.726 -0.638 6.073 1.00 96.53 14 A 1 ATOM 103 N N . ALA A 1 15 ? -0.746 -2.215 7.556 1.00 98.85 15 A 1 ATOM 104 C CA . ALA A 1 15 ? 0.210 -3.125 8.189 1.00 98.84 15 A 1 ATOM 105 C C . ALA A 1 15 ? 1.049 -2.397 9.239 1.00 98.87 15 A 1 ATOM 106 O O . ALA A 1 15 ? 1.285 -2.923 10.326 1.00 98.71 15 A 1 ATOM 107 C CB . ALA A 1 15 ? 1.114 -3.742 7.128 1.00 98.72 15 A 1 ATOM 108 N N . VAL A 1 16 ? 1.495 -1.193 8.920 1.00 98.82 16 A 1 ATOM 109 C CA . VAL A 1 16 ? 2.310 -0.400 9.844 1.00 98.78 16 A 1 ATOM 110 C C . VAL A 1 16 ? 1.502 -0.008 11.076 1.00 98.81 16 A 1 ATOM 111 O O . VAL A 1 16 ? 1.991 -0.092 12.205 1.00 98.54 16 A 1 ATOM 112 C CB . VAL A 1 16 ? 2.847 0.863 9.148 1.00 98.52 16 A 1 ATOM 113 C CG1 . VAL A 1 16 ? 3.579 1.758 10.142 1.00 96.80 16 A 1 ATOM 114 C CG2 . VAL A 1 16 ? 3.792 0.475 8.015 1.00 97.16 16 A 1 ATOM 115 N N . VAL A 1 17 ? 0.277 0.435 10.864 1.00 98.68 17 A 1 ATOM 116 C CA . VAL A 1 17 ? -0.592 0.846 11.968 1.00 98.63 17 A 1 ATOM 117 C C . VAL A 1 17 ? -0.933 -0.341 12.862 1.00 98.68 17 A 1 ATOM 118 O O . VAL A 1 17 ? -1.001 -0.210 14.088 1.00 98.35 17 A 1 ATOM 119 C CB . VAL A 1 17 ? -1.887 1.477 11.433 1.00 98.18 17 A 1 ATOM 120 C CG1 . VAL A 1 17 ? -2.852 1.777 12.573 1.00 95.50 17 A 1 ATOM 121 C CG2 . VAL A 1 17 ? -1.571 2.754 10.670 1.00 96.17 17 A 1 ATOM 122 N N . ALA A 1 18 ? -1.159 -1.492 12.256 1.00 98.64 18 A 1 ATOM 123 C CA . ALA A 1 18 ? -1.504 -2.707 12.998 1.00 98.56 18 A 1 ATOM 124 C C . ALA A 1 18 ? -0.289 -3.323 13.686 1.00 98.57 18 A 1 ATOM 125 O O . ALA A 1 18 ? -0.433 -4.178 14.564 1.00 97.84 18 A 1 ATOM 126 C CB . ALA A 1 18 ? -2.134 -3.729 12.055 1.00 98.14 18 A 1 ATOM 127 N N . CYS A 1 19 ? 0.910 -2.900 13.297 1.00 97.19 19 A 1 ATOM 128 C CA . CYS A 1 19 ? 2.141 -3.454 13.855 1.00 95.95 19 A 1 ATOM 129 C C . CYS A 1 19 ? 2.358 -2.981 15.292 1.00 93.74 19 A 1 ATOM 130 O O . CYS A 1 19 ? 2.079 -1.817 15.591 1.00 87.63 19 A 1 ATOM 131 C CB . CYS A 1 19 ? 3.347 -3.072 12.995 1.00 92.97 19 A 1 ATOM 132 S SG . CYS A 1 19 ? 4.847 -3.953 13.479 1.00 84.00 19 A 1 ATOM 133 O OXT . CYS A 1 19 ? 2.827 -3.772 16.110 1.00 83.10 19 A 1 #