# 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_spkb28979 # _entry.id spkb28979 # 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" "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" "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 GLY 3 1 n ILE 4 1 n PRO 5 1 n GLY 6 1 n LEU 7 1 n LEU 8 1 n PHE 9 1 n LEU 10 1 n LEU 11 1 n PHE 12 1 n LEU 13 1 n LEU 14 1 n LEU 15 1 n CYS 16 1 n ALA 17 1 n VAL 18 1 n GLY 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 @ 2025-07-02 23:26:53)" _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 93.05 _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 73.05 1 1 A ALA 2 2 83.39 1 2 A GLY 3 2 90.45 1 3 A ILE 4 2 90.56 1 4 A PRO 5 2 93.46 1 5 A GLY 6 2 96.19 1 6 A LEU 7 2 94.20 1 7 A LEU 8 2 95.05 1 8 A PHE 9 2 95.40 1 9 A LEU 10 2 95.09 1 10 A LEU 11 2 95.15 1 11 A PHE 12 2 95.31 1 12 A LEU 13 2 96.66 1 13 A LEU 14 2 95.89 1 14 A LEU 15 2 96.03 1 15 A CYS 16 2 97.52 1 16 A ALA 17 2 98.02 1 17 A VAL 18 2 94.76 1 18 A GLY 19 2 88.01 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 GLY . 3 A 3 A 4 1 n ILE . 4 A 4 A 5 1 n PRO . 5 A 5 A 6 1 n GLY . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n PHE . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n PHE . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n CYS . 16 A 16 A 17 1 n ALA . 17 A 17 A 18 1 n VAL . 18 A 18 A 19 1 n GLY . 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 ? -15.083 -1.393 -1.577 1.00 78.86 1 A 1 ATOM 2 C CA . MET A 1 1 ? -13.832 -1.784 -0.897 1.00 79.84 1 A 1 ATOM 3 C C . MET A 1 1 ? -14.037 -1.791 0.613 1.00 81.06 1 A 1 ATOM 4 O O . MET A 1 1 ? -14.686 -0.897 1.146 1.00 75.95 1 A 1 ATOM 5 C CB . MET A 1 1 ? -12.711 -0.816 -1.263 1.00 73.87 1 A 1 ATOM 6 C CG . MET A 1 1 ? -12.265 -1.009 -2.701 1.00 69.63 1 A 1 ATOM 7 S SD . MET A 1 1 ? -11.439 0.436 -3.354 1.00 65.93 1 A 1 ATOM 8 C CE . MET A 1 1 ? -11.134 -0.109 -5.034 1.00 59.23 1 A 1 ATOM 9 N N . ALA A 1 2 ? -13.504 -2.782 1.260 1.00 80.40 2 A 1 ATOM 10 C CA . ALA A 1 2 ? -13.714 -2.953 2.700 1.00 85.15 2 A 1 ATOM 11 C C . ALA A 1 2 ? -12.960 -1.919 3.526 1.00 88.78 2 A 1 ATOM 12 O O . ALA A 1 2 ? -13.547 -1.246 4.371 1.00 82.74 2 A 1 ATOM 13 C CB . ALA A 1 2 ? -13.302 -4.358 3.113 1.00 79.89 2 A 1 ATOM 14 N N . GLY A 1 3 ? -11.669 -1.795 3.296 1.00 87.40 3 A 1 ATOM 15 C CA . GLY A 1 3 ? -10.874 -0.857 4.086 1.00 90.69 3 A 1 ATOM 16 C C . GLY A 1 3 ? -9.935 -0.016 3.240 1.00 93.21 3 A 1 ATOM 17 O O . GLY A 1 3 ? -9.193 -0.535 2.414 1.00 90.50 3 A 1 ATOM 18 N N . ILE A 1 4 ? -9.981 1.284 3.475 1.00 92.83 4 A 1 ATOM 19 C CA . ILE A 1 4 ? -9.092 2.224 2.784 1.00 94.11 4 A 1 ATOM 20 C C . ILE A 1 4 ? -7.635 2.004 3.206 1.00 95.42 4 A 1 ATOM 21 O O . ILE A 1 4 ? -6.740 2.007 2.357 1.00 94.81 4 A 1 ATOM 22 C CB . ILE A 1 4 ? -9.530 3.676 3.073 1.00 92.57 4 A 1 ATOM 23 C CG1 . ILE A 1 4 ? -10.997 3.896 2.668 1.00 88.53 4 A 1 ATOM 24 C CG2 . ILE A 1 4 ? -8.625 4.670 2.357 1.00 86.44 4 A 1 ATOM 25 C CD1 . ILE A 1 4 ? -11.218 3.807 1.175 1.00 79.76 4 A 1 ATOM 26 N N . PRO A 1 5 ? -7.378 1.844 4.503 1.00 94.16 5 A 1 ATOM 27 C CA . PRO A 1 5 ? -5.999 1.633 4.968 1.00 95.27 5 A 1 ATOM 28 C C . PRO A 1 5 ? -5.382 0.359 4.404 1.00 96.25 5 A 1 ATOM 29 O O . PRO A 1 5 ? -4.171 0.293 4.197 1.00 94.56 5 A 1 ATOM 30 C CB . PRO A 1 5 ? -6.138 1.552 6.495 1.00 92.43 5 A 1 ATOM 31 C CG . PRO A 1 5 ? -7.564 1.239 6.750 1.00 89.28 5 A 1 ATOM 32 C CD . PRO A 1 5 ? -8.324 1.895 5.630 1.00 92.24 5 A 1 ATOM 33 N N . GLY A 1 6 ? -6.201 -0.639 4.156 1.00 95.46 6 A 1 ATOM 34 C CA . GLY A 1 6 ? -5.704 -1.890 3.587 1.00 96.18 6 A 1 ATOM 35 C C . GLY A 1 6 ? -5.131 -1.685 2.195 1.00 96.99 6 A 1 ATOM 36 O O . GLY A 1 6 ? -4.108 -2.268 1.836 1.00 96.11 6 A 1 ATOM 37 N N . LEU A 1 7 ? -5.797 -0.854 1.405 1.00 96.47 7 A 1 ATOM 38 C CA . LEU A 1 7 ? -5.339 -0.535 0.052 1.00 96.78 7 A 1 ATOM 39 C C . LEU A 1 7 ? -3.990 0.175 0.096 1.00 97.19 7 A 1 ATOM 40 O O . LEU A 1 7 ? -3.090 -0.134 -0.688 1.00 96.77 7 A 1 ATOM 41 C CB . LEU A 1 7 ? -6.379 0.350 -0.639 1.00 96.47 7 A 1 ATOM 42 C CG . LEU A 1 7 ? -6.229 0.380 -2.153 1.00 92.23 7 A 1 ATOM 43 C CD1 . LEU A 1 7 ? -6.897 -0.842 -2.773 1.00 88.87 7 A 1 ATOM 44 C CD2 . LEU A 1 7 ? -6.832 1.651 -2.713 1.00 88.84 7 A 1 ATOM 45 N N . LEU A 1 8 ? -3.863 1.111 1.004 1.00 96.95 8 A 1 ATOM 46 C CA . LEU A 1 8 ? -2.614 1.860 1.164 1.00 97.02 8 A 1 ATOM 47 C C . LEU A 1 8 ? -1.480 0.936 1.591 1.00 97.33 8 A 1 ATOM 48 O O . LEU A 1 8 ? -0.353 1.055 1.110 1.00 97.21 8 A 1 ATOM 49 C CB . LEU A 1 8 ? -2.816 2.966 2.202 1.00 96.67 8 A 1 ATOM 50 C CG . LEU A 1 8 ? -3.006 4.343 1.576 1.00 93.33 8 A 1 ATOM 51 C CD1 . LEU A 1 8 ? -3.544 5.322 2.604 1.00 90.93 8 A 1 ATOM 52 C CD2 . LEU A 1 8 ? -1.681 4.846 1.018 1.00 90.97 8 A 1 ATOM 53 N N . PHE A 1 9 ? -1.791 0.018 2.483 1.00 96.96 9 A 1 ATOM 54 C CA . PHE A 1 9 ? -0.795 -0.939 2.969 1.00 96.98 9 A 1 ATOM 55 C C . PHE A 1 9 ? -0.278 -1.810 1.824 1.00 97.53 9 A 1 ATOM 56 O O . PHE A 1 9 ? 0.930 -2.024 1.689 1.00 97.47 9 A 1 ATOM 57 C CB . PHE A 1 9 ? -1.427 -1.805 4.051 1.00 96.58 9 A 1 ATOM 58 C CG . PHE A 1 9 ? -0.444 -2.765 4.662 1.00 95.75 9 A 1 ATOM 59 C CD1 . PHE A 1 9 ? 0.602 -2.295 5.438 1.00 93.73 9 A 1 ATOM 60 C CD2 . PHE A 1 9 ? -0.583 -4.129 4.463 1.00 93.99 9 A 1 ATOM 61 C CE1 . PHE A 1 9 ? 1.511 -3.172 6.009 1.00 93.42 9 A 1 ATOM 62 C CE2 . PHE A 1 9 ? 0.326 -5.017 5.028 1.00 93.10 9 A 1 ATOM 63 C CZ . PHE A 1 9 ? 1.374 -4.539 5.800 1.00 93.90 9 A 1 ATOM 64 N N . LEU A 1 10 ? -1.189 -2.293 1.007 1.00 97.00 10 A 1 ATOM 65 C CA . LEU A 1 10 ? -0.808 -3.118 -0.140 1.00 97.07 10 A 1 ATOM 66 C C . LEU A 1 10 ? 0.027 -2.318 -1.132 1.00 97.49 10 A 1 ATOM 67 O O . LEU A 1 10 ? 1.021 -2.817 -1.665 1.00 97.31 10 A 1 ATOM 68 C CB . LEU A 1 10 ? -2.074 -3.641 -0.821 1.00 96.80 10 A 1 ATOM 69 C CG . LEU A 1 10 ? -2.474 -5.030 -0.342 1.00 93.16 10 A 1 ATOM 70 C CD1 . LEU A 1 10 ? -3.925 -5.316 -0.694 1.00 90.81 10 A 1 ATOM 71 C CD2 . LEU A 1 10 ? -1.567 -6.079 -0.983 1.00 91.04 10 A 1 ATOM 72 N N . LEU A 1 11 ? -0.380 -1.084 -1.379 1.00 96.96 11 A 1 ATOM 73 C CA . LEU A 1 11 ? 0.347 -0.199 -2.289 1.00 96.96 11 A 1 ATOM 74 C C . LEU A 1 11 ? 1.759 0.055 -1.773 1.00 97.53 11 A 1 ATOM 75 O O . LEU A 1 11 ? 2.721 0.048 -2.543 1.00 97.49 11 A 1 ATOM 76 C CB . LEU A 1 11 ? -0.406 1.125 -2.419 1.00 96.63 11 A 1 ATOM 77 C CG . LEU A 1 11 ? 0.021 1.931 -3.639 1.00 93.14 11 A 1 ATOM 78 C CD1 . LEU A 1 11 ? -0.755 1.476 -4.872 1.00 91.11 11 A 1 ATOM 79 C CD2 . LEU A 1 11 ? -0.202 3.411 -3.404 1.00 91.41 11 A 1 ATOM 80 N N . PHE A 1 12 ? 1.869 0.280 -0.482 1.00 97.16 12 A 1 ATOM 81 C CA . PHE A 1 12 ? 3.165 0.527 0.151 1.00 97.18 12 A 1 ATOM 82 C C . PHE A 1 12 ? 4.090 -0.677 -0.027 1.00 97.70 12 A 1 ATOM 83 O O . PHE A 1 12 ? 5.260 -0.529 -0.380 1.00 97.59 12 A 1 ATOM 84 C CB . PHE A 1 12 ? 2.947 0.817 1.633 1.00 96.81 12 A 1 ATOM 85 C CG . PHE A 1 12 ? 4.239 1.016 2.378 1.00 95.76 12 A 1 ATOM 86 C CD1 . PHE A 1 12 ? 4.995 2.164 2.180 1.00 93.32 12 A 1 ATOM 87 C CD2 . PHE A 1 12 ? 4.686 0.052 3.269 1.00 93.73 12 A 1 ATOM 88 C CE1 . PHE A 1 12 ? 6.188 2.353 2.860 1.00 92.82 12 A 1 ATOM 89 C CE2 . PHE A 1 12 ? 5.883 0.233 3.952 1.00 92.85 12 A 1 ATOM 90 C CZ . PHE A 1 12 ? 6.636 1.382 3.748 1.00 93.49 12 A 1 ATOM 91 N N . LEU A 1 13 ? 3.552 -1.864 0.208 1.00 97.85 13 A 1 ATOM 92 C CA . LEU A 1 13 ? 4.341 -3.087 0.060 1.00 97.87 13 A 1 ATOM 93 C C . LEU A 1 13 ? 4.769 -3.279 -1.391 1.00 98.12 13 A 1 ATOM 94 O O . LEU A 1 13 ? 5.901 -3.682 -1.666 1.00 97.84 13 A 1 ATOM 95 C CB . LEU A 1 13 ? 3.514 -4.289 0.521 1.00 97.57 13 A 1 ATOM 96 C CG . LEU A 1 13 ? 3.433 -4.439 2.041 1.00 95.64 13 A 1 ATOM 97 C CD1 . LEU A 1 13 ? 2.474 -5.557 2.398 1.00 94.17 13 A 1 ATOM 98 C CD2 . LEU A 1 13 ? 4.820 -4.740 2.616 1.00 94.20 13 A 1 ATOM 99 N N . LEU A 1 14 ? 3.867 -2.982 -2.307 1.00 98.03 14 A 1 ATOM 100 C CA . LEU A 1 14 ? 4.160 -3.095 -3.735 1.00 97.98 14 A 1 ATOM 101 C C . LEU A 1 14 ? 5.289 -2.150 -4.127 1.00 98.20 14 A 1 ATOM 102 O O . LEU A 1 14 ? 6.204 -2.530 -4.860 1.00 97.89 14 A 1 ATOM 103 C CB . LEU A 1 14 ? 2.903 -2.765 -4.536 1.00 97.67 14 A 1 ATOM 104 C CG . LEU A 1 14 ? 2.963 -3.268 -5.973 1.00 93.84 14 A 1 ATOM 105 C CD1 . LEU A 1 14 ? 2.481 -4.714 -6.049 1.00 91.49 14 A 1 ATOM 106 C CD2 . LEU A 1 14 ? 2.119 -2.395 -6.877 1.00 92.02 14 A 1 ATOM 107 N N . LEU A 1 15 ? 5.218 -0.926 -3.641 1.00 98.04 15 A 1 ATOM 108 C CA . LEU A 1 15 ? 6.240 0.079 -3.934 1.00 97.93 15 A 1 ATOM 109 C C . LEU A 1 15 ? 7.594 -0.364 -3.394 1.00 98.16 15 A 1 ATOM 110 O O . LEU A 1 15 ? 8.622 -0.196 -4.054 1.00 97.80 15 A 1 ATOM 111 C CB . LEU A 1 15 ? 5.819 1.414 -3.310 1.00 97.48 15 A 1 ATOM 112 C CG . LEU A 1 15 ? 6.177 2.613 -4.181 1.00 94.65 15 A 1 ATOM 113 C CD1 . LEU A 1 15 ? 5.075 3.661 -4.115 1.00 92.29 15 A 1 ATOM 114 C CD2 . LEU A 1 15 ? 7.495 3.217 -3.734 1.00 91.89 15 A 1 ATOM 115 N N . CYS A 1 16 ? 7.596 -0.945 -2.212 1.00 98.30 16 A 1 ATOM 116 C CA . CYS A 1 16 ? 8.831 -1.433 -1.596 1.00 98.21 16 A 1 ATOM 117 C C . CYS A 1 16 ? 9.428 -2.582 -2.412 1.00 98.26 16 A 1 ATOM 118 O O . CYS A 1 16 ? 10.646 -2.711 -2.517 1.00 97.38 16 A 1 ATOM 119 C CB . CYS A 1 16 ? 8.539 -1.903 -0.170 1.00 97.53 16 A 1 ATOM 120 S SG . CYS A 1 16 ? 8.933 -0.626 1.044 1.00 95.46 16 A 1 ATOM 121 N N . ALA A 1 17 ? 8.576 -3.402 -2.970 1.00 98.41 17 A 1 ATOM 122 C CA . ALA A 1 17 ? 9.028 -4.541 -3.768 1.00 98.28 17 A 1 ATOM 123 C C . ALA A 1 17 ? 9.590 -4.092 -5.118 1.00 98.30 17 A 1 ATOM 124 O O . ALA A 1 17 ? 10.529 -4.699 -5.637 1.00 97.40 17 A 1 ATOM 125 C CB . ALA A 1 17 ? 7.867 -5.512 -3.973 1.00 97.70 17 A 1 ATOM 126 N N . VAL A 1 18 ? 9.010 -3.045 -5.678 1.00 97.80 18 A 1 ATOM 127 C CA . VAL A 1 18 ? 9.445 -2.529 -6.981 1.00 97.43 18 A 1 ATOM 128 C C . VAL A 1 18 ? 10.762 -1.773 -6.881 1.00 97.30 18 A 1 ATOM 129 O O . VAL A 1 18 ? 11.696 -2.029 -7.654 1.00 95.08 18 A 1 ATOM 130 C CB . VAL A 1 18 ? 8.359 -1.621 -7.586 1.00 95.78 18 A 1 ATOM 131 C CG1 . VAL A 1 18 ? 8.865 -0.944 -8.857 1.00 90.00 18 A 1 ATOM 132 C CG2 . VAL A 1 18 ? 7.109 -2.424 -7.906 1.00 89.95 18 A 1 ATOM 133 N N . GLY A 1 19 ? 10.830 -0.833 -5.960 1.00 94.63 19 A 1 ATOM 134 C CA . GLY A 1 19 ? 12.017 -0.008 -5.811 1.00 91.46 19 A 1 ATOM 135 C C . GLY A 1 19 ? 12.652 -0.077 -4.446 1.00 87.18 19 A 1 ATOM 136 O O . GLY A 1 19 ? 12.193 -0.839 -3.584 1.00 81.68 19 A 1 ATOM 137 O OXT . GLY A 1 19 ? 13.623 0.670 -4.232 1.00 85.12 19 A 1 #