# 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_spkb17921 # _entry.id spkb17921 # 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 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" "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 ILE 4 1 n VAL 5 1 n LEU 6 1 n MET 7 1 n MET 8 1 n MET 9 1 n LEU 10 1 n PHE 11 1 n ALA 12 1 n ALA 13 1 n PHE 14 1 n SER 15 1 n ALA 16 1 n VAL 17 1 n VAL 18 1 n LEU 19 1 n ALA 20 # _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 04:36:47)" _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 94.96 _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 89.11 1 1 A LYS 2 2 89.07 1 2 A ILE 3 2 94.56 1 3 A ILE 4 2 95.63 1 4 A VAL 5 2 97.31 1 5 A LEU 6 2 95.42 1 6 A MET 7 2 94.47 1 7 A MET 8 2 95.19 1 8 A MET 9 2 94.28 1 9 A LEU 10 2 95.72 1 10 A PHE 11 2 95.61 1 11 A ALA 12 2 98.26 1 12 A ALA 13 2 98.30 1 13 A PHE 14 2 95.21 1 14 A SER 15 2 96.48 1 15 A ALA 16 2 98.19 1 16 A VAL 17 2 97.60 1 17 A VAL 18 2 97.06 1 18 A LEU 19 2 94.22 1 19 A ALA 20 2 92.23 1 20 # _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 ILE . 4 A 4 A 5 1 n VAL . 5 A 5 A 6 1 n LEU . 6 A 6 A 7 1 n MET . 7 A 7 A 8 1 n MET . 8 A 8 A 9 1 n MET . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n PHE . 11 A 11 A 12 1 n ALA . 12 A 12 A 13 1 n ALA . 13 A 13 A 14 1 n PHE . 14 A 14 A 15 1 n SER . 15 A 15 A 16 1 n ALA . 16 A 16 A 17 1 n VAL . 17 A 17 A 18 1 n VAL . 18 A 18 A 19 1 n LEU . 19 A 19 A 20 1 n ALA . 20 A 20 # _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 ? -1.428 8.412 -10.014 1.00 94.39 1 A 1 ATOM 2 C CA . MET A 1 1 ? -0.348 7.402 -9.983 1.00 95.34 1 A 1 ATOM 3 C C . MET A 1 1 ? -0.858 6.101 -9.373 1.00 95.57 1 A 1 ATOM 4 O O . MET A 1 1 ? -1.389 6.104 -8.269 1.00 92.88 1 A 1 ATOM 5 C CB . MET A 1 1 ? 0.831 7.915 -9.167 1.00 91.80 1 A 1 ATOM 6 C CG . MET A 1 1 ? 1.488 9.125 -9.808 1.00 86.03 1 A 1 ATOM 7 S SD . MET A 1 1 ? 2.831 9.772 -8.814 1.00 83.14 1 A 1 ATOM 8 C CE . MET A 1 1 ? 3.313 11.173 -9.800 1.00 73.72 1 A 1 ATOM 9 N N . LYS A 1 2 ? -0.696 5.008 -10.093 1.00 95.67 2 A 1 ATOM 10 C CA . LYS A 1 2 ? -1.170 3.710 -9.607 1.00 96.19 2 A 1 ATOM 11 C C . LYS A 1 2 ? -0.183 3.084 -8.625 1.00 96.74 2 A 1 ATOM 12 O O . LYS A 1 2 ? -0.587 2.370 -7.710 1.00 96.25 2 A 1 ATOM 13 C CB . LYS A 1 2 ? -1.411 2.776 -10.790 1.00 94.37 2 A 1 ATOM 14 C CG . LYS A 1 2 ? -2.623 3.179 -11.613 1.00 87.58 2 A 1 ATOM 15 C CD . LYS A 1 2 ? -2.829 2.249 -12.785 1.00 84.90 2 A 1 ATOM 16 C CE . LYS A 1 2 ? -4.039 2.667 -13.596 1.00 77.88 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? -4.189 1.824 -14.807 1.00 72.01 2 A 1 ATOM 18 N N . ILE A 1 3 ? 1.090 3.361 -8.815 1.00 97.05 3 A 1 ATOM 19 C CA . ILE A 1 3 ? 2.120 2.820 -7.931 1.00 97.29 3 A 1 ATOM 20 C C . ILE A 1 3 ? 1.961 3.365 -6.521 1.00 97.68 3 A 1 ATOM 21 O O . ILE A 1 3 ? 2.066 2.634 -5.534 1.00 97.03 3 A 1 ATOM 22 C CB . ILE A 1 3 ? 3.525 3.150 -8.461 1.00 96.64 3 A 1 ATOM 23 C CG1 . ILE A 1 3 ? 3.672 2.693 -9.917 1.00 92.82 3 A 1 ATOM 24 C CG2 . ILE A 1 3 ? 4.583 2.491 -7.585 1.00 91.46 3 A 1 ATOM 25 C CD1 . ILE A 1 3 ? 3.480 1.193 -10.083 1.00 86.47 3 A 1 ATOM 26 N N . ILE A 1 4 ? 1.704 4.658 -6.431 1.00 97.71 4 A 1 ATOM 27 C CA . ILE A 1 4 ? 1.531 5.307 -5.136 1.00 97.55 4 A 1 ATOM 28 C C . ILE A 1 4 ? 0.301 4.763 -4.432 1.00 97.70 4 A 1 ATOM 29 O O . ILE A 1 4 ? 0.313 4.514 -3.223 1.00 97.37 4 A 1 ATOM 30 C CB . ILE A 1 4 ? 1.418 6.831 -5.301 1.00 97.35 4 A 1 ATOM 31 C CG1 . ILE A 1 4 ? 2.641 7.386 -6.047 1.00 94.77 4 A 1 ATOM 32 C CG2 . ILE A 1 4 ? 1.276 7.506 -3.940 1.00 93.55 4 A 1 ATOM 33 C CD1 . ILE A 1 4 ? 3.950 7.115 -5.321 1.00 89.04 4 A 1 ATOM 34 N N . VAL A 1 5 ? -0.770 4.582 -5.184 1.00 98.11 5 A 1 ATOM 35 C CA . VAL A 1 5 ? -2.016 4.063 -4.624 1.00 98.12 5 A 1 ATOM 36 C C . VAL A 1 5 ? -1.802 2.647 -4.100 1.00 98.15 5 A 1 ATOM 37 O O . VAL A 1 5 ? -2.286 2.293 -3.019 1.00 97.96 5 A 1 ATOM 38 C CB . VAL A 1 5 ? -3.136 4.081 -5.677 1.00 97.87 5 A 1 ATOM 39 C CG1 . VAL A 1 5 ? -4.406 3.456 -5.124 1.00 95.57 5 A 1 ATOM 40 C CG2 . VAL A 1 5 ? -3.413 5.509 -6.125 1.00 95.41 5 A 1 ATOM 41 N N . LEU A 1 6 ? -1.077 1.851 -4.856 1.00 98.11 6 A 1 ATOM 42 C CA . LEU A 1 6 ? -0.784 0.479 -4.450 1.00 97.93 6 A 1 ATOM 43 C C . LEU A 1 6 ? 0.051 0.458 -3.177 1.00 98.16 6 A 1 ATOM 44 O O . LEU A 1 6 ? -0.209 -0.330 -2.266 1.00 98.20 6 A 1 ATOM 45 C CB . LEU A 1 6 ? -0.041 -0.241 -5.576 1.00 97.77 6 A 1 ATOM 46 C CG . LEU A 1 6 ? -0.960 -1.049 -6.482 1.00 91.83 6 A 1 ATOM 47 C CD1 . LEU A 1 6 ? -0.314 -1.280 -7.837 1.00 90.14 6 A 1 ATOM 48 C CD2 . LEU A 1 6 ? -1.293 -2.382 -5.831 1.00 91.21 6 A 1 ATOM 49 N N . MET A 1 7 ? 1.041 1.318 -3.122 1.00 97.79 7 A 1 ATOM 50 C CA . MET A 1 7 ? 1.906 1.409 -1.949 1.00 97.87 7 A 1 ATOM 51 C C . MET A 1 7 ? 1.124 1.868 -0.726 1.00 98.21 7 A 1 ATOM 52 O O . MET A 1 7 ? 1.303 1.345 0.372 1.00 98.12 7 A 1 ATOM 53 C CB . MET A 1 7 ? 3.056 2.376 -2.235 1.00 97.62 7 A 1 ATOM 54 C CG . MET A 1 7 ? 4.113 1.754 -3.143 1.00 95.05 7 A 1 ATOM 55 S SD . MET A 1 7 ? 5.125 0.581 -2.257 1.00 89.37 7 A 1 ATOM 56 C CE . MET A 1 7 ? 6.177 -0.010 -3.566 1.00 81.75 7 A 1 ATOM 57 N N . MET A 1 8 ? 0.255 2.841 -0.922 1.00 98.05 8 A 1 ATOM 58 C CA . MET A 1 8 ? -0.562 3.354 0.174 1.00 98.15 8 A 1 ATOM 59 C C . MET A 1 8 ? -1.498 2.276 0.710 1.00 98.34 8 A 1 ATOM 60 O O . MET A 1 8 ? -1.616 2.086 1.917 1.00 98.14 8 A 1 ATOM 61 C CB . MET A 1 8 ? -1.376 4.557 -0.296 1.00 98.09 8 A 1 ATOM 62 C CG . MET A 1 8 ? -0.568 5.843 -0.303 1.00 96.32 8 A 1 ATOM 63 S SD . MET A 1 8 ? -1.610 7.277 -0.553 1.00 90.49 8 A 1 ATOM 64 C CE . MET A 1 8 ? -0.389 8.570 -0.539 1.00 83.92 8 A 1 ATOM 65 N N . MET A 1 9 ? -2.160 1.580 -0.193 1.00 97.93 9 A 1 ATOM 66 C CA . MET A 1 9 ? -3.092 0.529 0.205 1.00 97.88 9 A 1 ATOM 67 C C . MET A 1 9 ? -2.355 -0.627 0.875 1.00 98.12 9 A 1 ATOM 68 O O . MET A 1 9 ? -2.818 -1.167 1.877 1.00 97.72 9 A 1 ATOM 69 C CB . MET A 1 9 ? -3.865 0.027 -1.010 1.00 97.74 9 A 1 ATOM 70 C CG . MET A 1 9 ? -4.978 0.977 -1.416 1.00 95.08 9 A 1 ATOM 71 S SD . MET A 1 9 ? -6.068 0.273 -2.648 1.00 88.60 9 A 1 ATOM 72 C CE . MET A 1 9 ? -7.387 1.472 -2.627 1.00 81.14 9 A 1 ATOM 73 N N . LEU A 1 10 ? -1.215 -0.971 0.320 1.00 98.13 10 A 1 ATOM 74 C CA . LEU A 1 10 ? -0.415 -2.058 0.871 1.00 98.07 10 A 1 ATOM 75 C C . LEU A 1 10 ? 0.091 -1.693 2.260 1.00 98.28 10 A 1 ATOM 76 O O . LEU A 1 10 ? 0.034 -2.503 3.189 1.00 98.19 10 A 1 ATOM 77 C CB . LEU A 1 10 ? 0.755 -2.358 -0.067 1.00 97.86 10 A 1 ATOM 78 C CG . LEU A 1 10 ? 1.262 -3.795 0.023 1.00 93.02 10 A 1 ATOM 79 C CD1 . LEU A 1 10 ? 1.958 -4.186 -1.270 1.00 90.52 10 A 1 ATOM 80 C CD2 . LEU A 1 10 ? 2.209 -3.971 1.191 1.00 91.69 10 A 1 ATOM 81 N N . PHE A 1 11 ? 0.575 -0.474 2.402 1.00 98.12 11 A 1 ATOM 82 C CA . PHE A 1 11 ? 1.079 0.004 3.680 1.00 98.06 11 A 1 ATOM 83 C C . PHE A 1 11 ? -0.043 0.082 4.704 1.00 98.25 11 A 1 ATOM 84 O O . PHE A 1 11 ? 0.136 -0.288 5.865 1.00 97.90 11 A 1 ATOM 85 C CB . PHE A 1 11 ? 1.721 1.377 3.496 1.00 97.69 11 A 1 ATOM 86 C CG . PHE A 1 11 ? 2.706 1.695 4.586 1.00 95.82 11 A 1 ATOM 87 C CD1 . PHE A 1 11 ? 4.004 1.218 4.518 1.00 93.48 11 A 1 ATOM 88 C CD2 . PHE A 1 11 ? 2.327 2.468 5.670 1.00 94.00 11 A 1 ATOM 89 C CE1 . PHE A 1 11 ? 4.917 1.501 5.520 1.00 92.95 11 A 1 ATOM 90 C CE2 . PHE A 1 11 ? 3.234 2.753 6.681 1.00 92.67 11 A 1 ATOM 91 C CZ . PHE A 1 11 ? 4.528 2.270 6.605 1.00 92.79 11 A 1 ATOM 92 N N . ALA A 1 12 ? -1.200 0.564 4.269 1.00 98.36 12 A 1 ATOM 93 C CA . ALA A 1 12 ? -2.352 0.678 5.157 1.00 98.34 12 A 1 ATOM 94 C C . ALA A 1 12 ? -2.797 -0.698 5.640 1.00 98.48 12 A 1 ATOM 95 O O . ALA A 1 12 ? -3.075 -0.886 6.825 1.00 98.10 12 A 1 ATOM 96 C CB . ALA A 1 12 ? -3.494 1.378 4.436 1.00 98.03 12 A 1 ATOM 97 N N . ALA A 1 13 ? -2.862 -1.647 4.731 1.00 98.41 13 A 1 ATOM 98 C CA . ALA A 1 13 ? -3.271 -3.003 5.078 1.00 98.42 13 A 1 ATOM 99 C C . ALA A 1 13 ? -2.257 -3.655 6.011 1.00 98.53 13 A 1 ATOM 100 O O . ALA A 1 13 ? -2.624 -4.291 6.999 1.00 98.08 13 A 1 ATOM 101 C CB . ALA A 1 13 ? -3.438 -3.832 3.814 1.00 98.08 13 A 1 ATOM 102 N N . PHE A 1 14 ? -0.982 -3.488 5.701 1.00 97.82 14 A 1 ATOM 103 C CA . PHE A 1 14 ? 0.088 -4.042 6.520 1.00 97.69 14 A 1 ATOM 104 C C . PHE A 1 14 ? 0.080 -3.422 7.909 1.00 97.99 14 A 1 ATOM 105 O O . PHE A 1 14 ? 0.216 -4.124 8.912 1.00 97.50 14 A 1 ATOM 106 C CB . PHE A 1 14 ? 1.434 -3.795 5.844 1.00 97.21 14 A 1 ATOM 107 C CG . PHE A 1 14 ? 2.551 -4.550 6.507 1.00 95.33 14 A 1 ATOM 108 C CD1 . PHE A 1 14 ? 2.722 -5.902 6.262 1.00 93.03 14 A 1 ATOM 109 C CD2 . PHE A 1 14 ? 3.420 -3.906 7.368 1.00 93.82 14 A 1 ATOM 110 C CE1 . PHE A 1 14 ? 3.748 -6.605 6.869 1.00 92.48 14 A 1 ATOM 111 C CE2 . PHE A 1 14 ? 4.447 -4.606 7.985 1.00 92.03 14 A 1 ATOM 112 C CZ . PHE A 1 14 ? 4.610 -5.955 7.734 1.00 92.40 14 A 1 ATOM 113 N N . SER A 1 15 ? -0.098 -2.117 7.957 1.00 97.96 15 A 1 ATOM 114 C CA . SER A 1 15 ? -0.143 -1.401 9.228 1.00 97.92 15 A 1 ATOM 115 C C . SER A 1 15 ? -1.320 -1.870 10.073 1.00 98.12 15 A 1 ATOM 116 O O . SER A 1 15 ? -1.208 -2.009 11.289 1.00 97.61 15 A 1 ATOM 117 C CB . SER A 1 15 ? -0.247 0.100 8.980 1.00 97.19 15 A 1 ATOM 118 O OG . SER A 1 15 ? -0.186 0.794 10.198 1.00 90.10 15 A 1 ATOM 119 N N . ALA A 1 16 ? -2.452 -2.104 9.424 1.00 98.35 16 A 1 ATOM 120 C CA . ALA A 1 16 ? -3.649 -2.570 10.118 1.00 98.31 16 A 1 ATOM 121 C C . ALA A 1 16 ? -3.411 -3.937 10.752 1.00 98.47 16 A 1 ATOM 122 O O . ALA A 1 16 ? -3.828 -4.182 11.882 1.00 97.96 16 A 1 ATOM 123 C CB . ALA A 1 16 ? -4.821 -2.630 9.152 1.00 97.85 16 A 1 ATOM 124 N N . VAL A 1 17 ? -2.739 -4.817 10.033 1.00 98.45 17 A 1 ATOM 125 C CA . VAL A 1 17 ? -2.445 -6.157 10.536 1.00 98.36 17 A 1 ATOM 126 C C . VAL A 1 17 ? -1.465 -6.097 11.700 1.00 98.48 17 A 1 ATOM 127 O O . VAL A 1 17 ? -1.635 -6.800 12.699 1.00 98.08 17 A 1 ATOM 128 C CB . VAL A 1 17 ? -1.879 -7.044 9.420 1.00 97.85 17 A 1 ATOM 129 C CG1 . VAL A 1 17 ? -1.471 -8.401 9.973 1.00 96.00 17 A 1 ATOM 130 C CG2 . VAL A 1 17 ? -2.908 -7.219 8.319 1.00 96.00 17 A 1 ATOM 131 N N . VAL A 1 18 ? -0.453 -5.270 11.569 1.00 98.15 18 A 1 ATOM 132 C CA . VAL A 1 18 ? 0.554 -5.127 12.617 1.00 98.00 18 A 1 ATOM 133 C C . VAL A 1 18 ? -0.042 -4.495 13.867 1.00 98.08 18 A 1 ATOM 134 O O . VAL A 1 18 ? 0.268 -4.903 14.989 1.00 97.61 18 A 1 ATOM 135 C CB . VAL A 1 18 ? 1.738 -4.287 12.121 1.00 97.34 18 A 1 ATOM 136 C CG1 . VAL A 1 18 ? 2.717 -4.025 13.251 1.00 95.33 18 A 1 ATOM 137 C CG2 . VAL A 1 18 ? 2.439 -4.998 10.983 1.00 94.91 18 A 1 ATOM 138 N N . LEU A 1 19 ? -0.885 -3.501 13.674 1.00 97.66 19 A 1 ATOM 139 C CA . LEU A 1 19 ? -1.519 -2.808 14.794 1.00 97.41 19 A 1 ATOM 140 C C . LEU A 1 19 ? -2.524 -3.698 15.504 1.00 97.51 19 A 1 ATOM 141 O O . LEU A 1 19 ? -2.626 -3.678 16.730 1.00 96.82 19 A 1 ATOM 142 C CB . LEU A 1 19 ? -2.212 -1.541 14.289 1.00 96.58 19 A 1 ATOM 143 C CG . LEU A 1 19 ? -1.245 -0.407 13.956 1.00 92.11 19 A 1 ATOM 144 C CD1 . LEU A 1 19 ? -1.943 0.655 13.127 1.00 88.18 19 A 1 ATOM 145 C CD2 . LEU A 1 19 ? -0.697 0.204 15.235 1.00 87.48 19 A 1 ATOM 146 N N . ALA A 1 20 ? -3.285 -4.456 14.738 1.00 96.32 20 A 1 ATOM 147 C CA . ALA A 1 20 ? -4.316 -5.324 15.281 1.00 95.28 20 A 1 ATOM 148 C C . ALA A 1 20 ? -3.732 -6.605 15.864 1.00 93.86 20 A 1 ATOM 149 O O . ALA A 1 20 ? -2.714 -7.095 15.356 1.00 90.39 20 A 1 ATOM 150 C CB . ALA A 1 20 ? -5.345 -5.645 14.211 1.00 93.04 20 A 1 ATOM 151 O OXT . ALA A 1 20 ? -4.328 -7.155 16.799 1.00 84.51 20 A 1 #