# 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_918 # _entry.id 918 # 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" "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" "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" "C5 H9 N O2" 115.130 PRO y PROLINE C1C[C@H](NC1)C(=O)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" "C11 H12 N2 O2" 204.225 TRP y TRYPTOPHAN c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N ? "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 ALA 2 1 n PRO 3 1 n LEU 4 1 n ARG 5 1 n PRO 6 1 n ILE 7 1 n PHE 8 1 n THR 9 1 n LEU 10 1 n ALA 11 1 n LEU 12 1 n LEU 13 1 n LEU 14 1 n TRP 15 1 n VAL 16 1 n VAL 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 @ 2025-06-02 00:55:23)" _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 94.64 _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 82.01 1 1 A ALA 2 2 88.30 1 2 A PRO 3 2 93.24 1 3 A LEU 4 2 93.63 1 4 A ARG 5 2 88.50 1 5 A PRO 6 2 97.02 1 6 A ILE 7 2 95.97 1 7 A PHE 8 2 95.16 1 8 A THR 9 2 96.89 1 9 A LEU 10 2 95.98 1 10 A ALA 11 2 98.07 1 11 A LEU 12 2 96.52 1 12 A LEU 13 2 96.98 1 13 A LEU 14 2 96.58 1 14 A TRP 15 2 96.58 1 15 A VAL 16 2 98.20 1 16 A VAL 17 2 97.90 1 17 A LEU 18 2 97.16 1 18 A ALA 19 2 94.18 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 ALA . 2 A 2 A 3 1 n PRO . 3 A 3 A 4 1 n LEU . 4 A 4 A 5 1 n ARG . 5 A 5 A 6 1 n PRO . 6 A 6 A 7 1 n ILE . 7 A 7 A 8 1 n PHE . 8 A 8 A 9 1 n THR . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n ALA . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n TRP . 15 A 15 A 16 1 n VAL . 16 A 16 A 17 1 n VAL . 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 ? -8.267 0.341 15.670 1.00 88.01 1 A 1 ATOM 2 C CA . MET A 1 1 ? -8.722 -0.211 14.376 1.00 88.32 1 A 1 ATOM 3 C C . MET A 1 1 ? -7.727 0.119 13.268 1.00 89.78 1 A 1 ATOM 4 O O . MET A 1 1 ? -6.983 1.085 13.376 1.00 86.28 1 A 1 ATOM 5 C CB . MET A 1 1 ? -10.082 0.380 14.029 1.00 83.89 1 A 1 ATOM 6 C CG . MET A 1 1 ? -11.163 -0.175 14.936 1.00 79.70 1 A 1 ATOM 7 S SD . MET A 1 1 ? -12.762 0.456 14.455 1.00 75.14 1 A 1 ATOM 8 C CE . MET A 1 1 ? -13.743 -0.156 15.809 1.00 64.98 1 A 1 ATOM 9 N N . ALA A 1 2 ? -7.711 -0.674 12.225 1.00 85.94 2 A 1 ATOM 10 C CA . ALA A 1 2 ? -6.788 -0.455 11.112 1.00 89.19 2 A 1 ATOM 11 C C . ALA A 1 2 ? -7.539 -0.319 9.788 1.00 91.83 2 A 1 ATOM 12 O O . ALA A 1 2 ? -7.789 -1.319 9.112 1.00 89.45 2 A 1 ATOM 13 C CB . ALA A 1 2 ? -5.807 -1.612 11.040 1.00 85.10 2 A 1 ATOM 14 N N . PRO A 1 3 ? -7.892 0.905 9.408 1.00 94.43 3 A 1 ATOM 15 C CA . PRO A 1 3 ? -8.604 1.147 8.154 1.00 95.42 3 A 1 ATOM 16 C C . PRO A 1 3 ? -7.710 0.877 6.941 1.00 96.65 3 A 1 ATOM 17 O O . PRO A 1 3 ? -6.484 0.897 7.051 1.00 94.67 3 A 1 ATOM 18 C CB . PRO A 1 3 ? -8.988 2.621 8.243 1.00 92.65 3 A 1 ATOM 19 C CG . PRO A 1 3 ? -8.041 3.218 9.215 1.00 88.21 3 A 1 ATOM 20 C CD . PRO A 1 3 ? -7.646 2.115 10.159 1.00 90.68 3 A 1 ATOM 21 N N . LEU A 1 4 ? -8.324 0.623 5.805 1.00 96.25 4 A 1 ATOM 22 C CA . LEU A 1 4 ? -7.579 0.321 4.586 1.00 96.41 4 A 1 ATOM 23 C C . LEU A 1 4 ? -7.129 1.583 3.856 1.00 96.77 4 A 1 ATOM 24 O O . LEU A 1 4 ? -6.222 1.530 3.030 1.00 95.80 4 A 1 ATOM 25 C CB . LEU A 1 4 ? -8.442 -0.540 3.664 1.00 96.03 4 A 1 ATOM 26 C CG . LEU A 1 4 ? -7.656 -1.643 2.971 1.00 93.16 4 A 1 ATOM 27 C CD1 . LEU A 1 4 ? -7.614 -2.897 3.845 1.00 88.34 4 A 1 ATOM 28 C CD2 . LEU A 1 4 ? -8.281 -1.961 1.628 1.00 86.29 4 A 1 ATOM 29 N N . ARG A 1 5 ? -7.771 2.689 4.162 1.00 97.00 5 A 1 ATOM 30 C CA . ARG A 1 5 ? -7.445 3.962 3.497 1.00 97.21 5 A 1 ATOM 31 C C . ARG A 1 5 ? -6.018 4.431 3.801 1.00 97.73 5 A 1 ATOM 32 O O . ARG A 1 5 ? -5.241 4.668 2.873 1.00 97.23 5 A 1 ATOM 33 C CB . ARG A 1 5 ? -8.475 5.018 3.908 1.00 96.14 5 A 1 ATOM 34 C CG . ARG A 1 5 ? -9.741 4.911 3.076 1.00 90.83 5 A 1 ATOM 35 C CD . ARG A 1 5 ? -10.365 6.279 2.906 1.00 87.43 5 A 1 ATOM 36 N NE . ARG A 1 5 ? -10.571 6.582 1.493 1.00 82.45 5 A 1 ATOM 37 C CZ . ARG A 1 5 ? -11.692 6.342 0.834 1.00 79.72 5 A 1 ATOM 38 N NH1 . ARG A 1 5 ? -12.683 5.663 1.375 1.00 73.93 5 A 1 ATOM 39 N NH2 . ARG A 1 5 ? -11.816 6.792 -0.396 1.00 73.81 5 A 1 ATOM 40 N N . PRO A 1 6 ? -5.671 4.557 5.070 1.00 97.54 6 A 1 ATOM 41 C CA . PRO A 1 6 ? -4.311 5.001 5.417 1.00 97.73 6 A 1 ATOM 42 C C . PRO A 1 6 ? -3.254 3.960 5.064 1.00 98.08 6 A 1 ATOM 43 O O . PRO A 1 6 ? -2.107 4.299 4.767 1.00 97.58 6 A 1 ATOM 44 C CB . PRO A 1 6 ? -4.383 5.227 6.933 1.00 96.84 6 A 1 ATOM 45 C CG . PRO A 1 6 ? -5.528 4.402 7.404 1.00 94.88 6 A 1 ATOM 46 C CD . PRO A 1 6 ? -6.501 4.352 6.263 1.00 96.46 6 A 1 ATOM 47 N N . ILE A 1 7 ? -3.650 2.708 5.098 1.00 98.09 7 A 1 ATOM 48 C CA . ILE A 1 7 ? -2.735 1.621 4.764 1.00 98.09 7 A 1 ATOM 49 C C . ILE A 1 7 ? -2.265 1.750 3.315 1.00 98.18 7 A 1 ATOM 50 O O . ILE A 1 7 ? -1.121 1.425 2.985 1.00 97.92 7 A 1 ATOM 51 C CB . ILE A 1 7 ? -3.410 0.250 5.002 1.00 97.81 7 A 1 ATOM 52 C CG1 . ILE A 1 7 ? -3.604 0.013 6.506 1.00 95.17 7 A 1 ATOM 53 C CG2 . ILE A 1 7 ? -2.556 -0.879 4.425 1.00 93.81 7 A 1 ATOM 54 C CD1 . ILE A 1 7 ? -4.595 -1.099 6.805 1.00 88.68 7 A 1 ATOM 55 N N . PHE A 1 8 ? -3.146 2.227 2.465 1.00 98.12 8 A 1 ATOM 56 C CA . PHE A 1 8 ? -2.806 2.415 1.055 1.00 98.10 8 A 1 ATOM 57 C C . PHE A 1 8 ? -1.654 3.404 0.909 1.00 98.21 8 A 1 ATOM 58 O O . PHE A 1 8 ? -0.758 3.214 0.085 1.00 98.05 8 A 1 ATOM 59 C CB . PHE A 1 8 ? -4.028 2.914 0.293 1.00 97.81 8 A 1 ATOM 60 C CG . PHE A 1 8 ? -4.644 1.838 -0.564 1.00 95.23 8 A 1 ATOM 61 C CD1 . PHE A 1 8 ? -5.467 0.870 -0.009 1.00 92.32 8 A 1 ATOM 62 C CD2 . PHE A 1 8 ? -4.387 1.798 -1.927 1.00 93.09 8 A 1 ATOM 63 C CE1 . PHE A 1 8 ? -6.031 -0.123 -0.798 1.00 91.81 8 A 1 ATOM 64 C CE2 . PHE A 1 8 ? -4.949 0.808 -2.724 1.00 92.24 8 A 1 ATOM 65 C CZ . PHE A 1 8 ? -5.772 -0.155 -2.158 1.00 91.77 8 A 1 ATOM 66 N N . THR A 1 9 ? -1.671 4.425 1.715 1.00 98.07 9 A 1 ATOM 67 C CA . THR A 1 9 ? -0.616 5.434 1.688 1.00 98.06 9 A 1 ATOM 68 C C . THR A 1 9 ? 0.713 4.812 2.116 1.00 98.22 9 A 1 ATOM 69 O O . THR A 1 9 ? 1.763 5.100 1.536 1.00 98.09 9 A 1 ATOM 70 C CB . THR A 1 9 ? -0.970 6.598 2.620 1.00 97.80 9 A 1 ATOM 71 O OG1 . THR A 1 9 ? -2.311 7.005 2.384 1.00 94.85 9 A 1 ATOM 72 C CG2 . THR A 1 9 ? -0.049 7.784 2.377 1.00 93.13 9 A 1 ATOM 73 N N . LEU A 1 10 ? 0.638 3.961 3.105 1.00 97.85 10 A 1 ATOM 74 C CA . LEU A 1 10 ? 1.831 3.275 3.591 1.00 97.82 10 A 1 ATOM 75 C C . LEU A 1 10 ? 2.381 2.344 2.518 1.00 98.04 10 A 1 ATOM 76 O O . LEU A 1 10 ? 3.598 2.224 2.354 1.00 97.99 10 A 1 ATOM 77 C CB . LEU A 1 10 ? 1.478 2.481 4.847 1.00 97.60 10 A 1 ATOM 78 C CG . LEU A 1 10 ? 1.485 3.329 6.116 1.00 93.67 10 A 1 ATOM 79 C CD1 . LEU A 1 10 ? 0.505 2.792 7.138 1.00 92.02 10 A 1 ATOM 80 C CD2 . LEU A 1 10 ? 2.896 3.355 6.706 1.00 92.85 10 A 1 ATOM 81 N N . ALA A 1 11 ? 1.480 1.696 1.808 1.00 98.03 11 A 1 ATOM 82 C CA . ALA A 1 11 ? 1.877 0.788 0.735 1.00 98.08 11 A 1 ATOM 83 C C . ALA A 1 11 ? 2.605 1.552 -0.367 1.00 98.29 11 A 1 ATOM 84 O O . ALA A 1 11 ? 3.582 1.063 -0.935 1.00 98.08 11 A 1 ATOM 85 C CB . ALA A 1 11 ? 0.640 0.094 0.175 1.00 97.87 11 A 1 ATOM 86 N N . LEU A 1 12 ? 2.131 2.742 -0.657 1.00 98.29 12 A 1 ATOM 87 C CA . LEU A 1 12 ? 2.746 3.583 -1.677 1.00 98.23 12 A 1 ATOM 88 C C . LEU A 1 12 ? 4.160 3.963 -1.256 1.00 98.42 12 A 1 ATOM 89 O O . LEU A 1 12 ? 5.085 3.943 -2.071 1.00 98.29 12 A 1 ATOM 90 C CB . LEU A 1 12 ? 1.906 4.845 -1.885 1.00 98.02 12 A 1 ATOM 91 C CG . LEU A 1 12 ? 2.133 5.489 -3.245 1.00 94.00 12 A 1 ATOM 92 C CD1 . LEU A 1 12 ? 0.961 5.196 -4.172 1.00 93.24 12 A 1 ATOM 93 C CD2 . LEU A 1 12 ? 2.326 6.989 -3.102 1.00 93.64 12 A 1 ATOM 94 N N . LEU A 1 13 ? 4.311 4.293 0.008 1.00 98.38 13 A 1 ATOM 95 C CA . LEU A 1 13 ? 5.617 4.658 0.542 1.00 98.36 13 A 1 ATOM 96 C C . LEU A 1 13 ? 6.579 3.483 0.439 1.00 98.51 13 A 1 ATOM 97 O O . LEU A 1 13 ? 7.759 3.665 0.133 1.00 98.36 13 A 1 ATOM 98 C CB . LEU A 1 13 ? 5.458 5.089 2.001 1.00 98.19 13 A 1 ATOM 99 C CG . LEU A 1 13 ? 5.181 6.579 2.160 1.00 95.59 13 A 1 ATOM 100 C CD1 . LEU A 1 13 ? 4.332 6.846 3.394 1.00 94.06 13 A 1 ATOM 101 C CD2 . LEU A 1 13 ? 6.502 7.338 2.266 1.00 94.42 13 A 1 ATOM 102 N N . LEU A 1 14 ? 6.058 2.305 0.694 1.00 98.39 14 A 1 ATOM 103 C CA . LEU A 1 14 ? 6.866 1.090 0.599 1.00 98.37 14 A 1 ATOM 104 C C . LEU A 1 14 ? 7.376 0.909 -0.824 1.00 98.57 14 A 1 ATOM 105 O O . LEU A 1 14 ? 8.529 0.534 -1.040 1.00 98.44 14 A 1 ATOM 106 C CB . LEU A 1 14 ? 6.023 -0.119 1.012 1.00 98.11 14 A 1 ATOM 107 C CG . LEU A 1 14 ? 6.864 -1.280 1.536 1.00 94.22 14 A 1 ATOM 108 C CD1 . LEU A 1 14 ? 6.972 -1.221 3.057 1.00 92.94 14 A 1 ATOM 109 C CD2 . LEU A 1 14 ? 6.264 -2.607 1.114 1.00 93.60 14 A 1 ATOM 110 N N . TRP A 1 15 ? 6.516 1.170 -1.794 1.00 98.58 15 A 1 ATOM 111 C CA . TRP A 1 15 ? 6.881 1.046 -3.206 1.00 98.61 15 A 1 ATOM 112 C C . TRP A 1 15 ? 7.955 2.070 -3.562 1.00 98.72 15 A 1 ATOM 113 O O . TRP A 1 15 ? 8.897 1.764 -4.291 1.00 98.54 15 A 1 ATOM 114 C CB . TRP A 1 15 ? 5.643 1.258 -4.076 1.00 98.45 15 A 1 ATOM 115 C CG . TRP A 1 15 ? 5.659 0.385 -5.288 1.00 97.80 15 A 1 ATOM 116 C CD1 . TRP A 1 15 ? 4.953 -0.763 -5.455 1.00 95.52 15 A 1 ATOM 117 C CD2 . TRP A 1 15 ? 6.405 0.578 -6.500 1.00 96.60 15 A 1 ATOM 118 N NE1 . TRP A 1 15 ? 5.213 -1.295 -6.697 1.00 94.96 15 A 1 ATOM 119 C CE2 . TRP A 1 15 ? 6.102 -0.497 -7.362 1.00 96.18 15 A 1 ATOM 120 C CE3 . TRP A 1 15 ? 7.300 1.555 -6.947 1.00 95.94 15 A 1 ATOM 121 C CZ2 . TRP A 1 15 ? 6.668 -0.612 -8.639 1.00 95.61 15 A 1 ATOM 122 C CZ3 . TRP A 1 15 ? 7.864 1.443 -8.221 1.00 93.41 15 A 1 ATOM 123 C CH2 . TRP A 1 15 ? 7.546 0.364 -9.043 1.00 93.17 15 A 1 ATOM 124 N N . VAL A 1 16 ? 7.813 3.251 -3.039 1.00 98.76 16 A 1 ATOM 125 C CA . VAL A 1 16 ? 8.777 4.322 -3.290 1.00 98.73 16 A 1 ATOM 126 C C . VAL A 1 16 ? 10.141 3.954 -2.712 1.00 98.80 16 A 1 ATOM 127 O O . VAL A 1 16 ? 11.177 4.224 -3.326 1.00 98.57 16 A 1 ATOM 128 C CB . VAL A 1 16 ? 8.279 5.650 -2.687 1.00 98.44 16 A 1 ATOM 129 C CG1 . VAL A 1 16 ? 9.323 6.744 -2.845 1.00 97.05 16 A 1 ATOM 130 C CG2 . VAL A 1 16 ? 6.982 6.082 -3.355 1.00 97.02 16 A 1 ATOM 131 N N . VAL A 1 17 ? 10.130 3.344 -1.555 1.00 98.72 17 A 1 ATOM 132 C CA . VAL A 1 17 ? 11.372 2.932 -0.898 1.00 98.69 17 A 1 ATOM 133 C C . VAL A 1 17 ? 12.052 1.820 -1.693 1.00 98.73 17 A 1 ATOM 134 O O . VAL A 1 17 ? 13.279 1.780 -1.800 1.00 98.37 17 A 1 ATOM 135 C CB . VAL A 1 17 ? 11.091 2.460 0.543 1.00 98.34 17 A 1 ATOM 136 C CG1 . VAL A 1 17 ? 12.355 1.912 1.191 1.00 96.18 17 A 1 ATOM 137 C CG2 . VAL A 1 17 ? 10.542 3.602 1.383 1.00 96.25 17 A 1 ATOM 138 N N . LEU A 1 18 ? 11.247 0.927 -2.226 1.00 98.54 18 A 1 ATOM 139 C CA . LEU A 1 18 ? 11.777 -0.184 -3.009 1.00 98.47 18 A 1 ATOM 140 C C . LEU A 1 18 ? 12.284 0.291 -4.365 1.00 98.53 18 A 1 ATOM 141 O O . LEU A 1 18 ? 13.259 -0.250 -4.893 1.00 98.08 18 A 1 ATOM 142 C CB . LEU A 1 18 ? 10.683 -1.242 -3.196 1.00 98.14 18 A 1 ATOM 143 C CG . LEU A 1 18 ? 10.477 -2.139 -1.974 1.00 96.88 18 A 1 ATOM 144 C CD1 . LEU A 1 18 ? 9.045 -2.653 -1.903 1.00 94.60 18 A 1 ATOM 145 C CD2 . LEU A 1 18 ? 11.450 -3.312 -2.019 1.00 94.02 18 A 1 ATOM 146 N N . ALA A 1 19 ? 11.618 1.284 -4.915 1.00 97.73 19 A 1 ATOM 147 C CA . ALA A 1 19 ? 11.983 1.841 -6.215 1.00 96.95 19 A 1 ATOM 148 C C . ALA A 1 19 ? 13.319 2.570 -6.117 1.00 96.16 19 A 1 ATOM 149 O O . ALA A 1 19 ? 14.208 2.312 -6.946 1.00 93.69 19 A 1 ATOM 150 C CB . ALA A 1 19 ? 10.884 2.773 -6.709 1.00 94.66 19 A 1 ATOM 151 O OXT . ALA A 1 19 ? 13.453 3.408 -5.218 1.00 85.86 19 A 1 #