# 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_spkb45017 # _entry.id spkb45017 # 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 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 LYS 3 1 n LEU 4 1 n LEU 5 1 n LEU 6 1 n ALA 7 1 n ALA 8 1 n SER 9 1 n ILE 10 1 n VAL 11 1 n TYR 12 1 n PHE 13 1 n ALA 14 1 n SER 15 1 n ALA 16 1 n CYS 17 1 n LEU 18 1 n ALA 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 @ 2025-07-07 23:56:22)" _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 92.89 _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 87.69 1 1 A LYS 2 2 88.91 1 2 A LYS 3 2 90.48 1 3 A LEU 4 2 91.55 1 4 A LEU 5 2 90.98 1 5 A LEU 6 2 92.78 1 6 A ALA 7 2 97.37 1 7 A ALA 8 2 97.71 1 8 A SER 9 2 95.38 1 9 A ILE 10 2 95.15 1 10 A VAL 11 2 96.19 1 11 A TYR 12 2 94.21 1 12 A PHE 13 2 94.29 1 13 A ALA 14 2 97.20 1 14 A SER 15 2 94.78 1 15 A ALA 16 2 97.13 1 16 A CYS 17 2 95.52 1 17 A LEU 18 2 89.04 1 18 A ALA 19 2 85.15 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 LYS . 3 A 3 A 4 1 n LEU . 4 A 4 A 5 1 n LEU . 5 A 5 A 6 1 n LEU . 6 A 6 A 7 1 n ALA . 7 A 7 A 8 1 n ALA . 8 A 8 A 9 1 n SER . 9 A 9 A 10 1 n ILE . 10 A 10 A 11 1 n VAL . 11 A 11 A 12 1 n TYR . 12 A 12 A 13 1 n PHE . 13 A 13 A 14 1 n ALA . 14 A 14 A 15 1 n SER . 15 A 15 A 16 1 n ALA . 16 A 16 A 17 1 n CYS . 17 A 17 A 18 1 n LEU . 18 A 18 A 19 1 n ALA . 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 ? -13.469 7.157 2.527 1.00 92.87 1 A 1 ATOM 2 C CA . MET A 1 1 ? -13.142 5.775 2.098 1.00 94.17 1 A 1 ATOM 3 C C . MET A 1 1 ? -11.716 5.423 2.505 1.00 94.52 1 A 1 ATOM 4 O O . MET A 1 1 ? -10.779 6.035 2.015 1.00 92.47 1 A 1 ATOM 5 C CB . MET A 1 1 ? -13.282 5.652 0.583 1.00 90.63 1 A 1 ATOM 6 C CG . MET A 1 1 ? -14.737 5.768 0.151 1.00 85.74 1 A 1 ATOM 7 S SD . MET A 1 1 ? -15.003 5.176 -1.526 1.00 80.85 1 A 1 ATOM 8 C CE . MET A 1 1 ? -14.783 6.688 -2.452 1.00 70.26 1 A 1 ATOM 9 N N . LYS A 1 2 ? -11.548 4.457 3.402 1.00 94.57 2 A 1 ATOM 10 C CA . LYS A 1 2 ? -10.216 4.034 3.862 1.00 95.65 2 A 1 ATOM 11 C C . LYS A 1 2 ? -9.627 2.928 2.980 1.00 96.04 2 A 1 ATOM 12 O O . LYS A 1 2 ? -8.475 2.547 3.156 1.00 94.93 2 A 1 ATOM 13 C CB . LYS A 1 2 ? -10.315 3.553 5.310 1.00 94.06 2 A 1 ATOM 14 C CG . LYS A 1 2 ? -10.643 4.676 6.290 1.00 87.85 2 A 1 ATOM 15 C CD . LYS A 1 2 ? -10.555 4.181 7.728 1.00 85.90 2 A 1 ATOM 16 C CE . LYS A 1 2 ? -11.237 5.119 8.702 1.00 78.78 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? -10.277 6.063 9.318 1.00 72.38 2 A 1 ATOM 18 N N . LYS A 1 3 ? -10.395 2.402 2.043 1.00 96.56 3 A 1 ATOM 19 C CA . LYS A 1 3 ? -9.935 1.313 1.165 1.00 96.99 3 A 1 ATOM 20 C C . LYS A 1 3 ? -8.771 1.763 0.282 1.00 97.20 3 A 1 ATOM 21 O O . LYS A 1 3 ? -7.867 0.974 0.010 1.00 96.29 3 A 1 ATOM 22 C CB . LYS A 1 3 ? -11.097 0.820 0.299 1.00 96.32 3 A 1 ATOM 23 C CG . LYS A 1 3 ? -12.019 -0.124 1.068 1.00 91.69 3 A 1 ATOM 24 C CD . LYS A 1 3 ? -12.381 -1.342 0.232 1.00 86.43 3 A 1 ATOM 25 C CE . LYS A 1 3 ? -13.298 -2.288 0.988 1.00 80.34 3 A 1 ATOM 26 N NZ . LYS A 1 3 ? -13.587 -3.513 0.189 1.00 72.46 3 A 1 ATOM 27 N N . LEU A 1 4 ? -8.784 3.009 -0.163 1.00 94.64 4 A 1 ATOM 28 C CA . LEU A 1 4 ? -7.711 3.536 -1.010 1.00 94.67 4 A 1 ATOM 29 C C . LEU A 1 4 ? -6.378 3.535 -0.266 1.00 96.22 4 A 1 ATOM 30 O O . LEU A 1 4 ? -5.352 3.153 -0.825 1.00 95.63 4 A 1 ATOM 31 C CB . LEU A 1 4 ? -8.086 4.956 -1.460 1.00 94.39 4 A 1 ATOM 32 C CG . LEU A 1 4 ? -8.692 4.975 -2.864 1.00 87.81 4 A 1 ATOM 33 C CD1 . LEU A 1 4 ? -9.724 6.085 -2.993 1.00 84.33 4 A 1 ATOM 34 C CD2 . LEU A 1 4 ? -7.588 5.185 -3.898 1.00 84.70 4 A 1 ATOM 35 N N . LEU A 1 5 ? -6.391 3.926 0.997 1.00 93.23 5 A 1 ATOM 36 C CA . LEU A 1 5 ? -5.177 3.942 1.814 1.00 93.51 5 A 1 ATOM 37 C C . LEU A 1 5 ? -4.651 2.526 2.033 1.00 95.14 5 A 1 ATOM 38 O O . LEU A 1 5 ? -3.448 2.287 1.953 1.00 95.17 5 A 1 ATOM 39 C CB . LEU A 1 5 ? -5.476 4.615 3.158 1.00 93.75 5 A 1 ATOM 40 C CG . LEU A 1 5 ? -4.936 6.042 3.231 1.00 87.00 5 A 1 ATOM 41 C CD1 . LEU A 1 5 ? -6.065 7.058 3.292 1.00 84.57 5 A 1 ATOM 42 C CD2 . LEU A 1 5 ? -4.037 6.205 4.450 1.00 85.47 5 A 1 ATOM 43 N N . LEU A 1 6 ? -5.549 1.585 2.288 1.00 96.28 6 A 1 ATOM 44 C CA . LEU A 1 6 ? -5.160 0.192 2.507 1.00 96.26 6 A 1 ATOM 45 C C . LEU A 1 6 ? -4.548 -0.404 1.242 1.00 97.05 6 A 1 ATOM 46 O O . LEU A 1 6 ? -3.512 -1.064 1.301 1.00 97.11 6 A 1 ATOM 47 C CB . LEU A 1 6 ? -6.386 -0.621 2.939 1.00 96.24 6 A 1 ATOM 48 C CG . LEU A 1 6 ? -6.105 -1.463 4.181 1.00 87.80 6 A 1 ATOM 49 C CD1 . LEU A 1 6 ? -6.730 -0.814 5.412 1.00 85.02 6 A 1 ATOM 50 C CD2 . LEU A 1 6 ? -6.644 -2.869 4.017 1.00 86.48 6 A 1 ATOM 51 N N . ALA A 1 7 ? -5.180 -0.167 0.099 1.00 97.45 7 A 1 ATOM 52 C CA . ALA A 1 7 ? -4.683 -0.679 -1.176 1.00 97.43 7 A 1 ATOM 53 C C . ALA A 1 7 ? -3.299 -0.108 -1.490 1.00 97.66 7 A 1 ATOM 54 O O . ALA A 1 7 ? -2.403 -0.837 -1.911 1.00 97.25 7 A 1 ATOM 55 C CB . ALA A 1 7 ? -5.681 -0.325 -2.277 1.00 97.05 7 A 1 ATOM 56 N N . ALA A 1 8 ? -3.111 1.172 -1.260 1.00 97.79 8 A 1 ATOM 57 C CA . ALA A 1 8 ? -1.824 1.818 -1.502 1.00 97.81 8 A 1 ATOM 58 C C . ALA A 1 8 ? -0.737 1.228 -0.599 1.00 97.98 8 A 1 ATOM 59 O O . ALA A 1 8 ? 0.378 0.978 -1.051 1.00 97.52 8 A 1 ATOM 60 C CB . ALA A 1 8 ? -1.973 3.319 -1.268 1.00 97.47 8 A 1 ATOM 61 N N . SER A 1 9 ? -1.061 0.974 0.656 1.00 97.45 9 A 1 ATOM 62 C CA . SER A 1 9 ? -0.107 0.406 1.610 1.00 97.36 9 A 1 ATOM 63 C C . SER A 1 9 ? 0.310 -1.010 1.202 1.00 97.58 9 A 1 ATOM 64 O O . SER A 1 9 ? 1.491 -1.353 1.250 1.00 96.93 9 A 1 ATOM 65 C CB . SER A 1 9 ? -0.725 0.395 3.005 1.00 96.72 9 A 1 ATOM 66 O OG . SER A 1 9 ? 0.259 0.074 3.953 1.00 86.25 9 A 1 ATOM 67 N N . ILE A 1 10 ? -0.638 -1.828 0.776 1.00 97.41 10 A 1 ATOM 68 C CA . ILE A 1 10 ? -0.351 -3.203 0.351 1.00 97.25 10 A 1 ATOM 69 C C . ILE A 1 10 ? 0.534 -3.205 -0.893 1.00 97.51 10 A 1 ATOM 70 O O . ILE A 1 10 ? 1.504 -3.963 -0.973 1.00 97.03 10 A 1 ATOM 71 C CB . ILE A 1 10 ? -1.668 -3.959 0.089 1.00 96.96 10 A 1 ATOM 72 C CG1 . ILE A 1 10 ? -2.429 -4.166 1.407 1.00 93.98 10 A 1 ATOM 73 C CG2 . ILE A 1 10 ? -1.384 -5.328 -0.551 1.00 93.00 10 A 1 ATOM 74 C CD1 . ILE A 1 10 ? -3.886 -4.551 1.192 1.00 88.09 10 A 1 ATOM 75 N N . VAL A 1 11 ? 0.212 -2.371 -1.863 1.00 97.73 11 A 1 ATOM 76 C CA . VAL A 1 11 ? 0.997 -2.286 -3.100 1.00 97.43 11 A 1 ATOM 77 C C . VAL A 1 11 ? 2.418 -1.812 -2.796 1.00 97.49 11 A 1 ATOM 78 O O . VAL A 1 11 ? 3.385 -2.351 -3.339 1.00 96.82 11 A 1 ATOM 79 C CB . VAL A 1 11 ? 0.310 -1.345 -4.104 1.00 96.77 11 A 1 ATOM 80 C CG1 . VAL A 1 11 ? 1.182 -1.104 -5.329 1.00 93.56 11 A 1 ATOM 81 C CG2 . VAL A 1 11 ? -1.016 -1.944 -4.560 1.00 93.51 11 A 1 ATOM 82 N N . TYR A 1 12 ? 2.552 -0.840 -1.928 1.00 96.88 12 A 1 ATOM 83 C CA . TYR A 1 12 ? 3.867 -0.329 -1.532 1.00 97.03 12 A 1 ATOM 84 C C . TYR A 1 12 ? 4.704 -1.427 -0.884 1.00 97.33 12 A 1 ATOM 85 O O . TYR A 1 12 ? 5.876 -1.606 -1.216 1.00 96.93 12 A 1 ATOM 86 C CB . TYR A 1 12 ? 3.690 0.837 -0.555 1.00 96.88 12 A 1 ATOM 87 C CG . TYR A 1 12 ? 4.050 2.165 -1.188 1.00 94.02 12 A 1 ATOM 88 C CD1 . TYR A 1 12 ? 3.180 2.783 -2.090 1.00 92.25 12 A 1 ATOM 89 C CD2 . TYR A 1 12 ? 5.264 2.787 -0.878 1.00 92.26 12 A 1 ATOM 90 C CE1 . TYR A 1 12 ? 3.516 4.002 -2.673 1.00 91.50 12 A 1 ATOM 91 C CE2 . TYR A 1 12 ? 5.602 4.013 -1.456 1.00 91.96 12 A 1 ATOM 92 C CZ . TYR A 1 12 ? 4.723 4.616 -2.354 1.00 92.72 12 A 1 ATOM 93 O OH . TYR A 1 12 ? 5.055 5.815 -2.927 1.00 90.79 12 A 1 ATOM 94 N N . PHE A 1 13 ? 4.104 -2.176 0.023 1.00 97.12 13 A 1 ATOM 95 C CA . PHE A 1 13 ? 4.807 -3.253 0.720 1.00 97.02 13 A 1 ATOM 96 C C . PHE A 1 13 ? 5.196 -4.365 -0.252 1.00 97.39 13 A 1 ATOM 97 O O . PHE A 1 13 ? 6.321 -4.865 -0.214 1.00 96.85 13 A 1 ATOM 98 C CB . PHE A 1 13 ? 3.919 -3.797 1.838 1.00 96.67 13 A 1 ATOM 99 C CG . PHE A 1 13 ? 4.732 -4.226 3.039 1.00 94.75 13 A 1 ATOM 100 C CD1 . PHE A 1 13 ? 5.310 -5.488 3.092 1.00 92.29 13 A 1 ATOM 101 C CD2 . PHE A 1 13 ? 4.922 -3.342 4.104 1.00 92.75 13 A 1 ATOM 102 C CE1 . PHE A 1 13 ? 6.073 -5.874 4.194 1.00 90.89 13 A 1 ATOM 103 C CE2 . PHE A 1 13 ? 5.681 -3.726 5.213 1.00 90.73 13 A 1 ATOM 104 C CZ . PHE A 1 13 ? 6.258 -4.990 5.256 1.00 90.70 13 A 1 ATOM 105 N N . ALA A 1 14 ? 4.287 -4.743 -1.138 1.00 97.43 14 A 1 ATOM 106 C CA . ALA A 1 14 ? 4.561 -5.787 -2.126 1.00 97.30 14 A 1 ATOM 107 C C . ALA A 1 14 ? 5.701 -5.374 -3.060 1.00 97.68 14 A 1 ATOM 108 O O . ALA A 1 14 ? 6.585 -6.176 -3.356 1.00 96.82 14 A 1 ATOM 109 C CB . ALA A 1 14 ? 3.284 -6.068 -2.916 1.00 96.76 14 A 1 ATOM 110 N N . SER A 1 15 ? 5.698 -4.140 -3.503 1.00 97.40 15 A 1 ATOM 111 C CA . SER A 1 15 ? 6.749 -3.623 -4.383 1.00 97.21 15 A 1 ATOM 112 C C . SER A 1 15 ? 8.102 -3.602 -3.670 1.00 97.42 15 A 1 ATOM 113 O O . SER A 1 15 ? 9.124 -3.957 -4.253 1.00 96.52 15 A 1 ATOM 114 C CB . SER A 1 15 ? 6.375 -2.219 -4.853 1.00 96.20 15 A 1 ATOM 115 O OG . SER A 1 15 ? 7.263 -1.798 -5.857 1.00 83.93 15 A 1 ATOM 116 N N . ALA A 1 16 ? 8.118 -3.219 -2.414 1.00 97.48 16 A 1 ATOM 117 C CA . ALA A 1 16 ? 9.349 -3.177 -1.624 1.00 97.35 16 A 1 ATOM 118 C C . ALA A 1 16 ? 9.898 -4.584 -1.369 1.00 97.73 16 A 1 ATOM 119 O O . ALA A 1 16 ? 11.109 -4.792 -1.389 1.00 96.77 16 A 1 ATOM 120 C CB . ALA A 1 16 ? 9.070 -2.456 -0.306 1.00 96.33 16 A 1 ATOM 121 N N . CYS A 1 17 ? 9.031 -5.561 -1.140 1.00 97.10 17 A 1 ATOM 122 C CA . CYS A 1 17 ? 9.451 -6.946 -0.901 1.00 97.15 17 A 1 ATOM 123 C C . CYS A 1 17 ? 10.079 -7.569 -2.148 1.00 97.39 17 A 1 ATOM 124 O O . CYS A 1 17 ? 10.966 -8.410 -2.040 1.00 96.18 17 A 1 ATOM 125 C CB . CYS A 1 17 ? 8.239 -7.772 -0.459 1.00 95.98 17 A 1 ATOM 126 S SG . CYS A 1 17 ? 7.899 -7.535 1.302 1.00 89.32 17 A 1 ATOM 127 N N . LEU A 1 18 ? 9.614 -7.177 -3.321 1.00 94.22 18 A 1 ATOM 128 C CA . LEU A 1 18 ? 10.141 -7.711 -4.579 1.00 94.08 18 A 1 ATOM 129 C C . LEU A 1 18 ? 11.528 -7.160 -4.892 1.00 94.68 18 A 1 ATOM 130 O O . LEU A 1 18 ? 12.335 -7.838 -5.532 1.00 93.06 18 A 1 ATOM 131 C CB . LEU A 1 18 ? 9.167 -7.384 -5.714 1.00 92.47 18 A 1 ATOM 132 C CG . LEU A 1 18 ? 8.814 -8.615 -6.541 1.00 85.75 18 A 1 ATOM 133 C CD1 . LEU A 1 18 ? 7.343 -8.961 -6.381 1.00 79.28 18 A 1 ATOM 134 C CD2 . LEU A 1 18 ? 9.130 -8.382 -8.007 1.00 78.80 18 A 1 ATOM 135 N N . ALA A 1 19 ? 11.806 -5.956 -4.446 1.00 91.95 19 A 1 ATOM 136 C CA . ALA A 1 19 ? 13.087 -5.315 -4.690 1.00 89.89 19 A 1 ATOM 137 C C . ALA A 1 19 ? 14.179 -5.840 -3.757 1.00 86.94 19 A 1 ATOM 138 O O . ALA A 1 19 ? 13.862 -6.221 -2.611 1.00 81.35 19 A 1 ATOM 139 C CB . ALA A 1 19 ? 12.930 -3.801 -4.560 1.00 84.87 19 A 1 ATOM 140 O OXT . ALA A 1 19 ? 15.356 -5.849 -4.160 1.00 75.88 19 A 1 #