# 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_spkb36843 # _entry.id spkb36843 # 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" "C2 H5 N O2" 75.067 GLY y GLYCINE C(C(=O)O)N ? "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" "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 LYS 2 1 n PHE 3 1 n LEU 4 1 n ALA 5 1 n LEU 6 1 n LEU 7 1 n VAL 8 1 n LEU 9 1 n LEU 10 1 n GLY 11 1 n VAL 12 1 n SER 13 1 n THR 14 1 n ILE 15 1 n LEU 16 1 n VAL 17 1 n SER 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 @ 2025-07-03 18:02:30)" _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 95.51 _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 92.07 1 1 A LYS 2 2 91.82 1 2 A PHE 3 2 95.42 1 3 A LEU 4 2 96.09 1 4 A ALA 5 2 98.54 1 5 A LEU 6 2 96.56 1 6 A LEU 7 2 96.27 1 7 A VAL 8 2 97.85 1 8 A LEU 9 2 96.14 1 9 A LEU 10 2 95.84 1 10 A GLY 11 2 98.32 1 11 A VAL 12 2 97.57 1 12 A SER 13 2 97.42 1 13 A THR 14 2 97.10 1 14 A ILE 15 2 97.11 1 15 A LEU 16 2 95.36 1 16 A VAL 17 2 96.30 1 17 A SER 18 2 94.92 1 18 A CYS 19 2 87.19 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 LYS . 2 A 2 A 3 1 n PHE . 3 A 3 A 4 1 n LEU . 4 A 4 A 5 1 n ALA . 5 A 5 A 6 1 n LEU . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n VAL . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n GLY . 11 A 11 A 12 1 n VAL . 12 A 12 A 13 1 n SER . 13 A 13 A 14 1 n THR . 14 A 14 A 15 1 n ILE . 15 A 15 A 16 1 n LEU . 16 A 16 A 17 1 n VAL . 17 A 17 A 18 1 n SER . 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 ? -12.206 1.712 6.022 1.00 97.44 1 A 1 ATOM 2 C CA . MET A 1 1 ? -12.458 1.609 4.574 1.00 97.50 1 A 1 ATOM 3 C C . MET A 1 1 ? -11.413 0.717 3.900 1.00 97.54 1 A 1 ATOM 4 O O . MET A 1 1 ? -10.300 0.577 4.395 1.00 96.33 1 A 1 ATOM 5 C CB . MET A 1 1 ? -12.416 2.990 3.928 1.00 95.52 1 A 1 ATOM 6 C CG . MET A 1 1 ? -13.465 3.934 4.485 1.00 90.67 1 A 1 ATOM 7 S SD . MET A 1 1 ? -13.395 5.551 3.711 1.00 86.30 1 A 1 ATOM 8 C CE . MET A 1 1 ? -14.719 6.371 4.580 1.00 75.27 1 A 1 ATOM 9 N N . LYS A 1 2 ? -11.789 0.134 2.749 1.00 98.02 2 A 1 ATOM 10 C CA . LYS A 1 2 ? -10.881 -0.737 2.005 1.00 97.82 2 A 1 ATOM 11 C C . LYS A 1 2 ? -9.807 0.073 1.286 1.00 97.90 2 A 1 ATOM 12 O O . LYS A 1 2 ? -8.623 -0.263 1.327 1.00 97.48 2 A 1 ATOM 13 C CB . LYS A 1 2 ? -11.668 -1.559 0.990 1.00 96.95 2 A 1 ATOM 14 C CG . LYS A 1 2 ? -12.765 -2.418 1.604 1.00 91.63 2 A 1 ATOM 15 C CD . LYS A 1 2 ? -12.200 -3.472 2.536 1.00 88.55 2 A 1 ATOM 16 C CE . LYS A 1 2 ? -13.295 -4.355 3.102 1.00 82.29 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? -12.753 -5.412 3.985 1.00 75.74 2 A 1 ATOM 18 N N . PHE A 1 3 ? -10.223 1.148 0.612 1.00 98.02 3 A 1 ATOM 19 C CA . PHE A 1 3 ? -9.297 2.008 -0.122 1.00 98.24 3 A 1 ATOM 20 C C . PHE A 1 3 ? -8.286 2.665 0.813 1.00 98.45 3 A 1 ATOM 21 O O . PHE A 1 3 ? -7.112 2.821 0.467 1.00 98.08 3 A 1 ATOM 22 C CB . PHE A 1 3 ? -10.073 3.083 -0.879 1.00 97.93 3 A 1 ATOM 23 C CG . PHE A 1 3 ? -9.182 3.971 -1.708 1.00 95.89 3 A 1 ATOM 24 C CD1 . PHE A 1 3 ? -8.636 3.513 -2.895 1.00 92.84 3 A 1 ATOM 25 C CD2 . PHE A 1 3 ? -8.886 5.256 -1.288 1.00 93.03 3 A 1 ATOM 26 C CE1 . PHE A 1 3 ? -7.812 4.320 -3.661 1.00 92.53 3 A 1 ATOM 27 C CE2 . PHE A 1 3 ? -8.054 6.076 -2.046 1.00 92.70 3 A 1 ATOM 28 C CZ . PHE A 1 3 ? -7.520 5.604 -3.235 1.00 91.95 3 A 1 ATOM 29 N N . LEU A 1 4 ? -8.741 3.051 2.001 1.00 98.37 4 A 1 ATOM 30 C CA . LEU A 1 4 ? -7.874 3.687 2.989 1.00 98.36 4 A 1 ATOM 31 C C . LEU A 1 4 ? -6.753 2.745 3.414 1.00 98.53 4 A 1 ATOM 32 O O . LEU A 1 4 ? -5.614 3.158 3.625 1.00 98.47 4 A 1 ATOM 33 C CB . LEU A 1 4 ? -8.689 4.111 4.218 1.00 98.15 4 A 1 ATOM 34 C CG . LEU A 1 4 ? -8.425 5.536 4.694 1.00 94.54 4 A 1 ATOM 35 C CD1 . LEU A 1 4 ? -6.953 5.730 5.013 1.00 90.58 4 A 1 ATOM 36 C CD2 . LEU A 1 4 ? -8.882 6.524 3.631 1.00 91.73 4 A 1 ATOM 37 N N . ALA A 1 5 ? -7.086 1.460 3.544 1.00 98.57 5 A 1 ATOM 38 C CA . ALA A 1 5 ? -6.104 0.447 3.925 1.00 98.59 5 A 1 ATOM 39 C C . ALA A 1 5 ? -5.003 0.340 2.873 1.00 98.67 5 A 1 ATOM 40 O O . ALA A 1 5 ? -3.829 0.168 3.203 1.00 98.49 5 A 1 ATOM 41 C CB . ALA A 1 5 ? -6.789 -0.906 4.097 1.00 98.40 5 A 1 ATOM 42 N N . LEU A 1 6 ? -5.386 0.445 1.613 1.00 98.58 6 A 1 ATOM 43 C CA . LEU A 1 6 ? -4.431 0.384 0.511 1.00 98.55 6 A 1 ATOM 44 C C . LEU A 1 6 ? -3.501 1.590 0.535 1.00 98.62 6 A 1 ATOM 45 O O . LEU A 1 6 ? -2.312 1.480 0.228 1.00 98.50 6 A 1 ATOM 46 C CB . LEU A 1 6 ? -5.171 0.332 -0.826 1.00 98.42 6 A 1 ATOM 47 C CG . LEU A 1 6 ? -6.007 -0.926 -1.048 1.00 95.51 6 A 1 ATOM 48 C CD1 . LEU A 1 6 ? -6.800 -0.811 -2.339 1.00 91.25 6 A 1 ATOM 49 C CD2 . LEU A 1 6 ? -5.123 -2.163 -1.080 1.00 93.09 6 A 1 ATOM 50 N N . LEU A 1 7 ? -4.040 2.746 0.905 1.00 98.54 7 A 1 ATOM 51 C CA . LEU A 1 7 ? -3.262 3.978 0.985 1.00 98.50 7 A 1 ATOM 52 C C . LEU A 1 7 ? -2.149 3.857 2.021 1.00 98.60 7 A 1 ATOM 53 O O . LEU A 1 7 ? -1.006 4.245 1.771 1.00 98.50 7 A 1 ATOM 54 C CB . LEU A 1 7 ? -4.173 5.154 1.342 1.00 98.32 7 A 1 ATOM 55 C CG . LEU A 1 7 ? -3.457 6.501 1.457 1.00 94.34 7 A 1 ATOM 56 C CD1 . LEU A 1 7 ? -2.866 6.909 0.114 1.00 90.98 7 A 1 ATOM 57 C CD2 . LEU A 1 7 ? -4.419 7.568 1.955 1.00 92.36 7 A 1 ATOM 58 N N . VAL A 1 8 ? -2.489 3.321 3.180 1.00 98.54 8 A 1 ATOM 59 C CA . VAL A 1 8 ? -1.517 3.142 4.257 1.00 98.45 8 A 1 ATOM 60 C C . VAL A 1 8 ? -0.465 2.109 3.876 1.00 98.49 8 A 1 ATOM 61 O O . VAL A 1 8 ? 0.736 2.326 4.068 1.00 98.33 8 A 1 ATOM 62 C CB . VAL A 1 8 ? -2.211 2.702 5.556 1.00 98.20 8 A 1 ATOM 63 C CG1 . VAL A 1 8 ? -1.186 2.450 6.660 1.00 96.76 8 A 1 ATOM 64 C CG2 . VAL A 1 8 ? -3.213 3.757 6.002 1.00 96.17 8 A 1 ATOM 65 N N . LEU A 1 9 ? -0.920 0.987 3.335 1.00 98.59 9 A 1 ATOM 66 C CA . LEU A 1 9 ? -0.019 -0.087 2.929 1.00 98.49 9 A 1 ATOM 67 C C . LEU A 1 9 ? 0.940 0.383 1.843 1.00 98.52 9 A 1 ATOM 68 O O . LEU A 1 9 ? 2.131 0.065 1.876 1.00 98.33 9 A 1 ATOM 69 C CB . LEU A 1 9 ? -0.827 -1.284 2.425 1.00 98.34 9 A 1 ATOM 70 C CG . LEU A 1 9 ? 0.005 -2.519 2.076 1.00 93.73 9 A 1 ATOM 71 C CD1 . LEU A 1 9 ? 0.717 -3.053 3.313 1.00 90.43 9 A 1 ATOM 72 C CD2 . LEU A 1 9 ? -0.879 -3.595 1.471 1.00 92.73 9 A 1 ATOM 73 N N . LEU A 1 10 ? 0.424 1.136 0.885 1.00 98.60 10 A 1 ATOM 74 C CA . LEU A 1 10 ? 1.226 1.653 -0.220 1.00 98.45 10 A 1 ATOM 75 C C . LEU A 1 10 ? 2.267 2.643 0.293 1.00 98.50 10 A 1 ATOM 76 O O . LEU A 1 10 ? 3.415 2.652 -0.150 1.00 98.17 10 A 1 ATOM 77 C CB . LEU A 1 10 ? 0.320 2.327 -1.258 1.00 98.20 10 A 1 ATOM 78 C CG . LEU A 1 10 ? 0.806 2.254 -2.706 1.00 93.89 10 A 1 ATOM 79 C CD1 . LEU A 1 10 ? 2.126 2.974 -2.883 1.00 89.56 10 A 1 ATOM 80 C CD2 . LEU A 1 10 ? 0.924 0.792 -3.119 1.00 91.36 10 A 1 ATOM 81 N N . GLY A 1 11 ? 1.855 3.492 1.246 1.00 98.41 11 A 1 ATOM 82 C CA . GLY A 1 11 ? 2.756 4.481 1.820 1.00 98.37 11 A 1 ATOM 83 C C . GLY A 1 11 ? 3.932 3.845 2.535 1.00 98.44 11 A 1 ATOM 84 O O . GLY A 1 11 ? 5.074 4.279 2.385 1.00 98.05 11 A 1 ATOM 85 N N . VAL A 1 12 ? 3.662 2.810 3.318 1.00 98.59 12 A 1 ATOM 86 C CA . VAL A 1 12 ? 4.708 2.100 4.051 1.00 98.48 12 A 1 ATOM 87 C C . VAL A 1 12 ? 5.686 1.433 3.093 1.00 98.51 12 A 1 ATOM 88 O O . VAL A 1 12 ? 6.902 1.476 3.298 1.00 97.97 12 A 1 ATOM 89 C CB . VAL A 1 12 ? 4.109 1.041 4.986 1.00 98.06 12 A 1 ATOM 90 C CG1 . VAL A 1 12 ? 5.214 0.244 5.673 1.00 95.58 12 A 1 ATOM 91 C CG2 . VAL A 1 12 ? 3.218 1.700 6.022 1.00 95.82 12 A 1 ATOM 92 N N . SER A 1 13 ? 5.156 0.816 2.048 1.00 98.63 13 A 1 ATOM 93 C CA . SER A 1 13 ? 5.989 0.139 1.058 1.00 98.59 13 A 1 ATOM 94 C C . SER A 1 13 ? 6.890 1.131 0.327 1.00 98.64 13 A 1 ATOM 95 O O . SER A 1 13 ? 8.038 0.824 0.006 1.00 98.23 13 A 1 ATOM 96 C CB . SER A 1 13 ? 5.116 -0.600 0.049 1.00 98.26 13 A 1 ATOM 97 O OG . SER A 1 13 ? 4.326 -1.576 0.695 1.00 92.16 13 A 1 ATOM 98 N N . THR A 1 14 ? 6.380 2.337 0.081 1.00 98.52 14 A 1 ATOM 99 C CA . THR A 1 14 ? 7.129 3.372 -0.624 1.00 98.48 14 A 1 ATOM 100 C C . THR A 1 14 ? 8.342 3.832 0.177 1.00 98.55 14 A 1 ATOM 101 O O . THR A 1 14 ? 9.437 3.966 -0.365 1.00 97.97 14 A 1 ATOM 102 C CB . THR A 1 14 ? 6.239 4.585 -0.916 1.00 98.07 14 A 1 ATOM 103 O OG1 . THR A 1 14 ? 5.115 4.185 -1.692 1.00 94.18 14 A 1 ATOM 104 C CG2 . THR A 1 14 ? 7.016 5.641 -1.680 1.00 93.94 14 A 1 ATOM 105 N N . ILE A 1 15 ? 8.159 4.080 1.471 1.00 98.53 15 A 1 ATOM 106 C CA . ILE A 1 15 ? 9.251 4.538 2.317 1.00 98.40 15 A 1 ATOM 107 C C . ILE A 1 15 ? 10.333 3.472 2.460 1.00 98.40 15 A 1 ATOM 108 O O . ILE A 1 15 ? 11.515 3.795 2.552 1.00 97.92 15 A 1 ATOM 109 C CB . ILE A 1 15 ? 8.750 4.953 3.712 1.00 98.21 15 A 1 ATOM 110 C CG1 . ILE A 1 15 ? 8.047 3.796 4.407 1.00 96.77 15 A 1 ATOM 111 C CG2 . ILE A 1 15 ? 7.826 6.157 3.586 1.00 96.23 15 A 1 ATOM 112 C CD1 . ILE A 1 15 ? 7.671 4.082 5.844 1.00 92.45 15 A 1 ATOM 113 N N . LEU A 1 16 ? 9.926 2.209 2.480 1.00 98.43 16 A 1 ATOM 114 C CA . LEU A 1 16 ? 10.868 1.103 2.608 1.00 98.24 16 A 1 ATOM 115 C C . LEU A 1 16 ? 11.782 1.020 1.394 1.00 98.18 16 A 1 ATOM 116 O O . LEU A 1 16 ? 12.986 0.781 1.523 1.00 97.67 16 A 1 ATOM 117 C CB . LEU A 1 16 ? 10.113 -0.220 2.778 1.00 97.96 16 A 1 ATOM 118 C CG . LEU A 1 16 ? 9.368 -0.358 4.102 1.00 94.03 16 A 1 ATOM 119 C CD1 . LEU A 1 16 ? 8.539 -1.637 4.105 1.00 88.99 16 A 1 ATOM 120 C CD2 . LEU A 1 16 ? 10.342 -0.362 5.269 1.00 89.39 16 A 1 ATOM 121 N N . VAL A 1 17 ? 11.218 1.214 0.215 1.00 98.12 17 A 1 ATOM 122 C CA . VAL A 1 17 ? 11.984 1.169 -1.029 1.00 97.72 17 A 1 ATOM 123 C C . VAL A 1 17 ? 12.845 2.418 -1.193 1.00 97.74 17 A 1 ATOM 124 O O . VAL A 1 17 ? 13.991 2.342 -1.650 1.00 97.00 17 A 1 ATOM 125 C CB . VAL A 1 17 ? 11.054 1.029 -2.242 1.00 96.76 17 A 1 ATOM 126 C CG1 . VAL A 1 17 ? 11.863 1.045 -3.537 1.00 93.11 17 A 1 ATOM 127 C CG2 . VAL A 1 17 ? 10.243 -0.243 -2.144 1.00 93.68 17 A 1 ATOM 128 N N . SER A 1 18 ? 12.301 3.574 -0.816 1.00 97.88 18 A 1 ATOM 129 C CA . SER A 1 18 ? 13.004 4.845 -0.947 1.00 97.34 18 A 1 ATOM 130 C C . SER A 1 18 ? 14.147 4.974 0.053 1.00 96.34 18 A 1 ATOM 131 O O . SER A 1 18 ? 15.173 5.585 -0.243 1.00 93.23 18 A 1 ATOM 132 C CB . SER A 1 18 ? 12.035 6.008 -0.758 1.00 96.59 18 A 1 ATOM 133 O OG . SER A 1 18 ? 11.021 5.982 -1.741 1.00 88.13 18 A 1 ATOM 134 N N . CYS A 1 19 ? 13.978 4.396 1.233 1.00 95.18 19 A 1 ATOM 135 C CA . CYS A 1 19 ? 14.982 4.459 2.290 1.00 92.99 19 A 1 ATOM 136 C C . CYS A 1 19 ? 16.239 3.673 1.909 1.00 91.61 19 A 1 ATOM 137 O O . CYS A 1 19 ? 17.332 4.262 1.933 1.00 87.69 19 A 1 ATOM 138 C CB . CYS A 1 19 ? 14.408 3.914 3.602 1.00 87.84 19 A 1 ATOM 139 S SG . CYS A 1 19 ? 15.542 4.102 4.990 1.00 78.68 19 A 1 ATOM 140 O OXT . CYS A 1 19 ? 16.105 2.477 1.606 1.00 76.33 19 A 1 #