# 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_spkb20847 # _entry.id spkb20847 # 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" "C2 H5 N O2" 75.067 GLY y GLYCINE C(C(=O)O)N ? "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" # _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 ARG 4 1 n LEU 5 1 n LEU 6 1 n LEU 7 1 n LEU 8 1 n LEU 9 1 n LEU 10 1 n ALA 11 1 n PHE 12 1 n LEU 13 1 n ARG 14 1 n LEU 15 1 n GLY 16 1 n THR 17 1 n THR 18 # _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 @ 2025-07-04 15:41:48)" _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 92.61 _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 85.23 1 1 A ALA 2 2 91.93 1 2 A PRO 3 2 94.59 1 3 A ARG 4 2 89.41 1 4 A LEU 5 2 94.62 1 5 A LEU 6 2 95.06 1 6 A LEU 7 2 95.62 1 7 A LEU 8 2 95.07 1 8 A LEU 9 2 95.18 1 9 A LEU 10 2 94.98 1 10 A ALA 11 2 97.26 1 11 A PHE 12 2 94.24 1 12 A LEU 13 2 95.67 1 13 A ARG 14 2 90.18 1 14 A LEU 15 2 93.32 1 15 A GLY 16 2 94.04 1 16 A THR 17 2 89.34 1 17 A THR 18 2 84.76 1 18 # _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 ARG . 4 A 4 A 5 1 n LEU . 5 A 5 A 6 1 n LEU . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n ALA . 11 A 11 A 12 1 n PHE . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n ARG . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n GLY . 16 A 16 A 17 1 n THR . 17 A 17 A 18 1 n THR . 18 A 18 # _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 ? -16.527 1.884 -8.801 1.00 90.50 1 A 1 ATOM 2 C CA . MET A 1 1 ? -15.873 2.103 -7.500 1.00 92.50 1 A 1 ATOM 3 C C . MET A 1 1 ? -14.386 1.803 -7.615 1.00 93.51 1 A 1 ATOM 4 O O . MET A 1 1 ? -14.008 0.751 -8.115 1.00 91.73 1 A 1 ATOM 5 C CB . MET A 1 1 ? -16.498 1.221 -6.422 1.00 87.76 1 A 1 ATOM 6 C CG . MET A 1 1 ? -16.069 1.603 -5.014 1.00 80.66 1 A 1 ATOM 7 S SD . MET A 1 1 ? -16.946 0.656 -3.760 1.00 76.73 1 A 1 ATOM 8 C CE . MET A 1 1 ? -16.352 1.452 -2.272 1.00 68.42 1 A 1 ATOM 9 N N . ALA A 1 2 ? -13.553 2.723 -7.159 1.00 88.80 2 A 1 ATOM 10 C CA . ALA A 1 2 ? -12.110 2.545 -7.237 1.00 92.80 2 A 1 ATOM 11 C C . ALA A 1 2 ? -11.639 1.546 -6.180 1.00 94.77 2 A 1 ATOM 12 O O . ALA A 1 2 ? -12.050 1.638 -5.021 1.00 93.77 2 A 1 ATOM 13 C CB . ALA A 1 2 ? -11.404 3.883 -7.049 1.00 89.53 2 A 1 ATOM 14 N N . PRO A 1 3 ? -10.790 0.601 -6.559 1.00 95.49 3 A 1 ATOM 15 C CA . PRO A 1 3 ? -10.282 -0.402 -5.626 1.00 96.38 3 A 1 ATOM 16 C C . PRO A 1 3 ? -9.299 0.208 -4.631 1.00 97.09 3 A 1 ATOM 17 O O . PRO A 1 3 ? -8.113 0.366 -4.927 1.00 95.58 3 A 1 ATOM 18 C CB . PRO A 1 3 ? -9.598 -1.432 -6.530 1.00 94.12 3 A 1 ATOM 19 C CG . PRO A 1 3 ? -9.208 -0.678 -7.753 1.00 90.52 3 A 1 ATOM 20 C CD . PRO A 1 3 ? -10.261 0.398 -7.915 1.00 92.92 3 A 1 ATOM 21 N N . ARG A 1 4 ? -9.809 0.545 -3.457 1.00 97.06 4 A 1 ATOM 22 C CA . ARG A 1 4 ? -8.972 1.110 -2.404 1.00 97.39 4 A 1 ATOM 23 C C . ARG A 1 4 ? -8.033 0.064 -1.827 1.00 97.87 4 A 1 ATOM 24 O O . ARG A 1 4 ? -7.109 0.404 -1.089 1.00 97.02 4 A 1 ATOM 25 C CB . ARG A 1 4 ? -9.837 1.703 -1.293 1.00 96.69 4 A 1 ATOM 26 C CG . ARG A 1 4 ? -10.353 3.090 -1.628 1.00 91.57 4 A 1 ATOM 27 C CD . ARG A 1 4 ? -11.141 3.667 -0.469 1.00 89.09 4 A 1 ATOM 28 N NE . ARG A 1 4 ? -11.049 5.125 -0.431 1.00 84.74 4 A 1 ATOM 29 C CZ . ARG A 1 4 ? -11.634 5.888 0.481 1.00 81.70 4 A 1 ATOM 30 N NH1 . ARG A 1 4 ? -12.395 5.354 1.421 1.00 74.11 4 A 1 ATOM 31 N NH2 . ARG A 1 4 ? -11.458 7.193 0.460 1.00 76.24 4 A 1 ATOM 32 N N . LEU A 1 5 ? -8.265 -1.187 -2.166 1.00 96.95 5 A 1 ATOM 33 C CA . LEU A 1 5 ? -7.418 -2.278 -1.700 1.00 97.01 5 A 1 ATOM 34 C C . LEU A 1 5 ? -5.973 -2.053 -2.129 1.00 97.30 5 A 1 ATOM 35 O O . LEU A 1 5 ? -5.042 -2.301 -1.368 1.00 96.81 5 A 1 ATOM 36 C CB . LEU A 1 5 ? -7.929 -3.619 -2.238 1.00 96.81 5 A 1 ATOM 37 C CG . LEU A 1 5 ? -8.607 -4.485 -1.184 1.00 92.76 5 A 1 ATOM 38 C CD1 . LEU A 1 5 ? -7.614 -4.908 -0.121 1.00 89.74 5 A 1 ATOM 39 C CD2 . LEU A 1 5 ? -9.775 -3.739 -0.557 1.00 89.57 5 A 1 ATOM 40 N N . LEU A 1 6 ? -5.804 -1.572 -3.360 1.00 97.52 6 A 1 ATOM 41 C CA . LEU A 1 6 ? -4.464 -1.303 -3.870 1.00 97.41 6 A 1 ATOM 42 C C . LEU A 1 6 ? -3.811 -0.161 -3.102 1.00 97.52 6 A 1 ATOM 43 O O . LEU A 1 6 ? -2.626 -0.220 -2.774 1.00 97.26 6 A 1 ATOM 44 C CB . LEU A 1 6 ? -4.523 -0.981 -5.358 1.00 97.30 6 A 1 ATOM 45 C CG . LEU A 1 6 ? -3.152 -0.906 -6.028 1.00 92.87 6 A 1 ATOM 46 C CD1 . LEU A 1 6 ? -2.433 -2.249 -5.943 1.00 89.77 6 A 1 ATOM 47 C CD2 . LEU A 1 6 ? -3.297 -0.491 -7.481 1.00 90.85 6 A 1 ATOM 48 N N . LEU A 1 7 ? -4.590 0.879 -2.807 1.00 97.76 7 A 1 ATOM 49 C CA . LEU A 1 7 ? -4.078 2.010 -2.039 1.00 97.60 7 A 1 ATOM 50 C C . LEU A 1 7 ? -3.698 1.573 -0.634 1.00 97.67 7 A 1 ATOM 51 O O . LEU A 1 7 ? -2.633 1.930 -0.130 1.00 97.45 7 A 1 ATOM 52 C CB . LEU A 1 7 ? -5.129 3.119 -1.971 1.00 97.40 7 A 1 ATOM 53 C CG . LEU A 1 7 ? -5.316 3.872 -3.278 1.00 93.40 7 A 1 ATOM 54 C CD1 . LEU A 1 7 ? -6.494 4.823 -3.167 1.00 91.50 7 A 1 ATOM 55 C CD2 . LEU A 1 7 ? -4.056 4.650 -3.633 1.00 92.15 7 A 1 ATOM 56 N N . LEU A 1 8 ? -4.564 0.794 -0.011 1.00 97.44 8 A 1 ATOM 57 C CA . LEU A 1 8 ? -4.289 0.280 1.325 1.00 97.30 8 A 1 ATOM 58 C C . LEU A 1 8 ? -3.092 -0.658 1.299 1.00 97.46 8 A 1 ATOM 59 O O . LEU A 1 8 ? -2.275 -0.655 2.218 1.00 97.34 8 A 1 ATOM 60 C CB . LEU A 1 8 ? -5.516 -0.451 1.866 1.00 97.20 8 A 1 ATOM 61 C CG . LEU A 1 8 ? -6.672 0.472 2.227 1.00 92.44 8 A 1 ATOM 62 C CD1 . LEU A 1 8 ? -7.905 -0.347 2.575 1.00 89.94 8 A 1 ATOM 63 C CD2 . LEU A 1 8 ? -6.297 1.369 3.402 1.00 91.46 8 A 1 ATOM 64 N N . LEU A 1 9 ? -2.993 -1.439 0.247 1.00 97.03 9 A 1 ATOM 65 C CA . LEU A 1 9 ? -1.871 -2.358 0.092 1.00 96.90 9 A 1 ATOM 66 C C . LEU A 1 9 ? -0.567 -1.583 -0.041 1.00 97.28 9 A 1 ATOM 67 O O . LEU A 1 9 ? 0.438 -1.941 0.576 1.00 97.20 9 A 1 ATOM 68 C CB . LEU A 1 9 ? -2.101 -3.257 -1.123 1.00 96.84 9 A 1 ATOM 69 C CG . LEU A 1 9 ? -1.128 -4.431 -1.218 1.00 93.31 9 A 1 ATOM 70 C CD1 . LEU A 1 9 ? -1.809 -5.626 -1.868 1.00 91.07 9 A 1 ATOM 71 C CD2 . LEU A 1 9 ? 0.102 -4.055 -2.027 1.00 91.79 9 A 1 ATOM 72 N N . LEU A 1 10 ? -0.582 -0.515 -0.832 1.00 97.26 10 A 1 ATOM 73 C CA . LEU A 1 10 ? 0.607 0.313 -1.000 1.00 97.05 10 A 1 ATOM 74 C C . LEU A 1 10 ? 0.985 0.981 0.314 1.00 97.31 10 A 1 ATOM 75 O O . LEU A 1 10 ? 2.161 1.020 0.681 1.00 96.97 10 A 1 ATOM 76 C CB . LEU A 1 10 ? 0.354 1.370 -2.073 1.00 96.76 10 A 1 ATOM 77 C CG . LEU A 1 10 ? 0.349 0.816 -3.492 1.00 92.95 10 A 1 ATOM 78 C CD1 . LEU A 1 10 ? -0.147 1.873 -4.468 1.00 90.20 10 A 1 ATOM 79 C CD2 . LEU A 1 10 ? 1.742 0.358 -3.893 1.00 91.30 10 A 1 ATOM 80 N N . ALA A 1 11 ? -0.008 1.504 1.026 1.00 97.47 11 A 1 ATOM 81 C CA . ALA A 1 11 ? 0.234 2.131 2.321 1.00 97.32 11 A 1 ATOM 82 C C . ALA A 1 11 ? 0.755 1.105 3.321 1.00 97.62 11 A 1 ATOM 83 O O . ALA A 1 11 ? 1.705 1.367 4.056 1.00 96.91 11 A 1 ATOM 84 C CB . ALA A 1 11 ? -1.049 2.773 2.838 1.00 96.98 11 A 1 ATOM 85 N N . PHE A 1 12 ? 0.130 -0.064 3.337 1.00 97.36 12 A 1 ATOM 86 C CA . PHE A 1 12 ? 0.546 -1.145 4.221 1.00 97.25 12 A 1 ATOM 87 C C . PHE A 1 12 ? 1.959 -1.597 3.884 1.00 97.51 12 A 1 ATOM 88 O O . PHE A 1 12 ? 2.777 -1.821 4.779 1.00 96.74 12 A 1 ATOM 89 C CB . PHE A 1 12 ? -0.421 -2.318 4.092 1.00 96.87 12 A 1 ATOM 90 C CG . PHE A 1 12 ? -0.021 -3.491 4.940 1.00 94.89 12 A 1 ATOM 91 C CD1 . PHE A 1 12 ? 0.728 -4.526 4.403 1.00 91.21 12 A 1 ATOM 92 C CD2 . PHE A 1 12 ? -0.382 -3.542 6.275 1.00 91.93 12 A 1 ATOM 93 C CE1 . PHE A 1 12 ? 1.109 -5.605 5.186 1.00 91.05 12 A 1 ATOM 94 C CE2 . PHE A 1 12 ? 0.001 -4.619 7.062 1.00 90.63 12 A 1 ATOM 95 C CZ . PHE A 1 12 ? 0.744 -5.648 6.519 1.00 91.16 12 A 1 ATOM 96 N N . LEU A 1 13 ? 2.247 -1.719 2.599 1.00 97.53 13 A 1 ATOM 97 C CA . LEU A 1 13 ? 3.573 -2.120 2.156 1.00 97.41 13 A 1 ATOM 98 C C . LEU A 1 13 ? 4.609 -1.104 2.608 1.00 97.50 13 A 1 ATOM 99 O O . LEU A 1 13 ? 5.694 -1.468 3.057 1.00 96.57 13 A 1 ATOM 100 C CB . LEU A 1 13 ? 3.596 -2.262 0.638 1.00 97.18 13 A 1 ATOM 101 C CG . LEU A 1 13 ? 4.904 -2.811 0.083 1.00 95.77 13 A 1 ATOM 102 C CD1 . LEU A 1 13 ? 5.128 -4.242 0.561 1.00 91.66 13 A 1 ATOM 103 C CD2 . LEU A 1 13 ? 4.896 -2.765 -1.432 1.00 91.73 13 A 1 ATOM 104 N N . ARG A 1 14 ? 4.262 0.177 2.504 1.00 97.84 14 A 1 ATOM 105 C CA . ARG A 1 14 ? 5.165 1.243 2.932 1.00 97.65 14 A 1 ATOM 106 C C . ARG A 1 14 ? 5.402 1.174 4.433 1.00 97.81 14 A 1 ATOM 107 O O . ARG A 1 14 ? 6.513 1.422 4.899 1.00 96.73 14 A 1 ATOM 108 C CB . ARG A 1 14 ? 4.590 2.596 2.545 1.00 97.02 14 A 1 ATOM 109 C CG . ARG A 1 14 ? 5.550 3.749 2.805 1.00 92.03 14 A 1 ATOM 110 C CD . ARG A 1 14 ? 6.802 3.619 1.955 1.00 89.44 14 A 1 ATOM 111 N NE . ARG A 1 14 ? 7.730 4.728 2.171 1.00 85.90 14 A 1 ATOM 112 C CZ . ARG A 1 14 ? 8.954 4.778 1.673 1.00 82.25 14 A 1 ATOM 113 N NH1 . ARG A 1 14 ? 9.416 3.794 0.932 1.00 76.66 14 A 1 ATOM 114 N NH2 . ARG A 1 14 ? 9.724 5.821 1.926 1.00 78.63 14 A 1 ATOM 115 N N . LEU A 1 15 ? 4.355 0.842 5.184 1.00 96.82 15 A 1 ATOM 116 C CA . LEU A 1 15 ? 4.471 0.715 6.633 1.00 96.42 15 A 1 ATOM 117 C C . LEU A 1 15 ? 5.266 -0.527 7.008 1.00 96.50 15 A 1 ATOM 118 O O . LEU A 1 15 ? 6.041 -0.509 7.966 1.00 94.62 15 A 1 ATOM 119 C CB . LEU A 1 15 ? 3.081 0.657 7.265 1.00 95.52 15 A 1 ATOM 120 C CG . LEU A 1 15 ? 2.310 1.970 7.215 1.00 92.66 15 A 1 ATOM 121 C CD1 . LEU A 1 15 ? 0.872 1.755 7.648 1.00 87.81 15 A 1 ATOM 122 C CD2 . LEU A 1 15 ? 2.977 3.012 8.102 1.00 86.20 15 A 1 ATOM 123 N N . GLY A 1 16 ? 5.068 -1.591 6.261 1.00 95.39 16 A 1 ATOM 124 C CA . GLY A 1 16 ? 5.758 -2.848 6.527 1.00 94.18 16 A 1 ATOM 125 C C . GLY A 1 16 ? 7.176 -2.882 5.995 1.00 94.26 16 A 1 ATOM 126 O O . GLY A 1 16 ? 7.960 -3.748 6.376 1.00 92.34 16 A 1 ATOM 127 N N . THR A 1 17 ? 7.510 -1.942 5.119 1.00 94.21 17 A 1 ATOM 128 C CA . THR A 1 17 ? 8.852 -1.880 4.543 1.00 93.29 17 A 1 ATOM 129 C C . THR A 1 17 ? 9.419 -0.474 4.671 1.00 92.23 17 A 1 ATOM 130 O O . THR A 1 17 ? 9.146 0.403 3.858 1.00 86.95 17 A 1 ATOM 131 C CB . THR A 1 17 ? 8.841 -2.299 3.071 1.00 90.87 17 A 1 ATOM 132 O OG1 . THR A 1 17 ? 7.975 -1.464 2.318 1.00 84.65 17 A 1 ATOM 133 C CG2 . THR A 1 17 ? 8.389 -3.738 2.918 1.00 83.21 17 A 1 ATOM 134 N N . THR A 1 18 ? 10.213 -0.273 5.710 1.00 93.91 18 A 1 ATOM 135 C CA . THR A 1 18 ? 10.855 1.006 5.965 1.00 92.06 18 A 1 ATOM 136 C C . THR A 1 18 ? 12.340 0.797 6.261 1.00 88.82 18 A 1 ATOM 137 O O . THR A 1 18 ? 12.684 -0.149 6.985 1.00 81.24 18 A 1 ATOM 138 C CB . THR A 1 18 ? 10.197 1.739 7.143 1.00 86.51 18 A 1 ATOM 139 O OG1 . THR A 1 18 ? 10.114 0.867 8.259 1.00 77.43 18 A 1 ATOM 140 C CG2 . THR A 1 18 ? 8.812 2.225 6.771 1.00 79.88 18 A 1 ATOM 141 O OXT . THR A 1 18 ? 13.175 1.577 5.770 1.00 78.25 18 A 1 #