# 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_spkb19474 # _entry.id spkb19474 # 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 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" "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 LEU 3 1 n LEU 4 1 n ALA 5 1 n LEU 6 1 n LEU 7 1 n LEU 8 1 n VAL 9 1 n VAL 10 1 n ALA 11 1 n LEU 12 1 n PRO 13 1 n ARG 14 1 n VAL 15 1 n TRP 16 1 n THR 17 # _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 @ 2025-07-09 13:06:36)" _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 93.18 _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 86.42 1 1 A ALA 2 2 96.74 1 2 A LEU 3 2 96.00 1 3 A LEU 4 2 95.45 1 4 A ALA 5 2 97.62 1 5 A LEU 6 2 95.23 1 6 A LEU 7 2 95.18 1 7 A LEU 8 2 94.82 1 8 A VAL 9 2 96.06 1 9 A VAL 10 2 95.39 1 10 A ALA 11 2 96.44 1 11 A LEU 12 2 93.60 1 12 A PRO 13 2 95.87 1 13 A ARG 14 2 89.05 1 14 A VAL 15 2 93.08 1 15 A TRP 16 2 88.87 1 16 A THR 17 2 88.14 1 17 # _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 LEU . 3 A 3 A 4 1 n LEU . 4 A 4 A 5 1 n ALA . 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 VAL . 9 A 9 A 10 1 n VAL . 10 A 10 A 11 1 n ALA . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n PRO . 13 A 13 A 14 1 n ARG . 14 A 14 A 15 1 n VAL . 15 A 15 A 16 1 n TRP . 16 A 16 A 17 1 n THR . 17 A 17 # _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 ? -1.402 2.407 15.652 1.00 92.65 1 A 1 ATOM 2 C CA . MET A 1 1 ? -0.543 3.079 14.661 1.00 92.64 1 A 1 ATOM 3 C C . MET A 1 1 ? -0.365 2.220 13.412 1.00 93.26 1 A 1 ATOM 4 O O . MET A 1 1 ? 0.724 2.113 12.856 1.00 92.55 1 A 1 ATOM 5 C CB . MET A 1 1 ? 0.817 3.360 15.296 1.00 88.73 1 A 1 ATOM 6 C CG . MET A 1 1 ? 0.737 4.517 16.272 1.00 81.79 1 A 1 ATOM 7 S SD . MET A 1 1 ? 1.968 4.375 17.565 1.00 79.46 1 A 1 ATOM 8 C CE . MET A 1 1 ? 1.332 5.571 18.725 1.00 70.30 1 A 1 ATOM 9 N N . ALA A 1 2 ? -1.453 1.625 12.969 1.00 95.28 2 A 1 ATOM 10 C CA . ALA A 1 2 ? -1.414 0.777 11.779 1.00 96.96 2 A 1 ATOM 11 C C . ALA A 1 2 ? -1.834 1.551 10.530 1.00 97.80 2 A 1 ATOM 12 O O . ALA A 1 2 ? -1.917 0.992 9.442 1.00 97.39 2 A 1 ATOM 13 C CB . ALA A 1 2 ? -2.321 -0.423 11.991 1.00 96.26 2 A 1 ATOM 14 N N . LEU A 1 3 ? -2.106 2.822 10.670 1.00 97.76 3 A 1 ATOM 15 C CA . LEU A 1 3 ? -2.516 3.659 9.541 1.00 97.76 3 A 1 ATOM 16 C C . LEU A 1 3 ? -1.408 3.744 8.494 1.00 97.94 3 A 1 ATOM 17 O O . LEU A 1 3 ? -1.677 3.786 7.297 1.00 97.56 3 A 1 ATOM 18 C CB . LEU A 1 3 ? -2.872 5.054 10.061 1.00 97.61 3 A 1 ATOM 19 C CG . LEU A 1 3 ? -1.899 5.559 11.117 1.00 94.87 3 A 1 ATOM 20 C CD1 . LEU A 1 3 ? -0.890 6.505 10.488 1.00 92.56 3 A 1 ATOM 21 C CD2 . LEU A 1 3 ? -2.654 6.268 12.227 1.00 91.90 3 A 1 ATOM 22 N N . LEU A 1 4 ? -0.165 3.746 8.932 1.00 97.75 4 A 1 ATOM 23 C CA . LEU A 1 4 ? 0.971 3.804 8.013 1.00 97.46 4 A 1 ATOM 24 C C . LEU A 1 4 ? 1.078 2.516 7.208 1.00 97.61 4 A 1 ATOM 25 O O . LEU A 1 4 ? 1.299 2.542 5.998 1.00 97.31 4 A 1 ATOM 26 C CB . LEU A 1 4 ? 2.260 4.035 8.804 1.00 97.22 4 A 1 ATOM 27 C CG . LEU A 1 4 ? 2.337 5.408 9.462 1.00 93.45 4 A 1 ATOM 28 C CD1 . LEU A 1 4 ? 3.168 5.341 10.730 1.00 91.40 4 A 1 ATOM 29 C CD2 . LEU A 1 4 ? 2.946 6.413 8.493 1.00 91.38 4 A 1 ATOM 30 N N . ALA A 1 5 ? 0.938 1.391 7.885 1.00 97.72 5 A 1 ATOM 31 C CA . ALA A 1 5 ? 1.013 0.085 7.226 1.00 97.79 5 A 1 ATOM 32 C C . ALA A 1 5 ? -0.175 -0.114 6.287 1.00 97.90 5 A 1 ATOM 33 O O . ALA A 1 5 ? -0.031 -0.643 5.190 1.00 97.23 5 A 1 ATOM 34 C CB . ALA A 1 5 ? 1.052 -1.018 8.277 1.00 97.48 5 A 1 ATOM 35 N N . LEU A 1 6 ? -1.348 0.305 6.713 1.00 97.65 6 A 1 ATOM 36 C CA . LEU A 1 6 ? -2.555 0.171 5.901 1.00 97.29 6 A 1 ATOM 37 C C . LEU A 1 6 ? -2.475 1.058 4.662 1.00 97.41 6 A 1 ATOM 38 O O . LEU A 1 6 ? -2.847 0.647 3.564 1.00 96.69 6 A 1 ATOM 39 C CB . LEU A 1 6 ? -3.774 0.546 6.746 1.00 97.07 6 A 1 ATOM 40 C CG . LEU A 1 6 ? -4.643 -0.648 7.115 1.00 93.18 6 A 1 ATOM 41 C CD1 . LEU A 1 6 ? -5.465 -0.342 8.366 1.00 91.22 6 A 1 ATOM 42 C CD2 . LEU A 1 6 ? -5.572 -0.986 5.958 1.00 91.30 6 A 1 ATOM 43 N N . LEU A 1 7 ? -1.992 2.250 4.829 1.00 97.26 7 A 1 ATOM 44 C CA . LEU A 1 7 ? -1.846 3.188 3.714 1.00 96.97 7 A 1 ATOM 45 C C . LEU A 1 7 ? -0.861 2.660 2.680 1.00 97.08 7 A 1 ATOM 46 O O . LEU A 1 7 ? -1.076 2.793 1.477 1.00 96.65 7 A 1 ATOM 47 C CB . LEU A 1 7 ? -1.367 4.535 4.256 1.00 96.89 7 A 1 ATOM 48 C CG . LEU A 1 7 ? -2.513 5.484 4.597 1.00 93.78 7 A 1 ATOM 49 C CD1 . LEU A 1 7 ? -2.106 6.458 5.692 1.00 91.32 7 A 1 ATOM 50 C CD2 . LEU A 1 7 ? -2.931 6.254 3.351 1.00 91.50 7 A 1 ATOM 51 N N . LEU A 1 8 ? 0.219 2.065 3.150 1.00 97.23 8 A 1 ATOM 52 C CA . LEU A 1 8 ? 1.237 1.508 2.261 1.00 96.99 8 A 1 ATOM 53 C C . LEU A 1 8 ? 0.720 0.255 1.561 1.00 97.19 8 A 1 ATOM 54 O O . LEU A 1 8 ? 0.951 0.056 0.369 1.00 96.69 8 A 1 ATOM 55 C CB . LEU A 1 8 ? 2.500 1.185 3.069 1.00 96.67 8 A 1 ATOM 56 C CG . LEU A 1 8 ? 3.685 2.093 2.737 1.00 92.28 8 A 1 ATOM 57 C CD1 . LEU A 1 8 ? 4.456 2.469 3.995 1.00 90.71 8 A 1 ATOM 58 C CD2 . LEU A 1 8 ? 4.605 1.409 1.745 1.00 90.77 8 A 1 ATOM 59 N N . VAL A 1 9 ? 0.023 -0.583 2.298 1.00 97.22 9 A 1 ATOM 60 C CA . VAL A 1 9 ? -0.514 -1.830 1.750 1.00 97.02 9 A 1 ATOM 61 C C . VAL A 1 9 ? -1.684 -1.562 0.804 1.00 97.01 9 A 1 ATOM 62 O O . VAL A 1 9 ? -1.973 -2.363 -0.082 1.00 95.85 9 A 1 ATOM 63 C CB . VAL A 1 9 ? -0.962 -2.758 2.894 1.00 96.44 9 A 1 ATOM 64 C CG1 . VAL A 1 9 ? -1.705 -3.969 2.358 1.00 94.39 9 A 1 ATOM 65 C CG2 . VAL A 1 9 ? 0.246 -3.214 3.700 1.00 94.52 9 A 1 ATOM 66 N N . VAL A 1 10 ? -2.352 -0.463 0.973 1.00 97.04 10 A 1 ATOM 67 C CA . VAL A 1 10 ? -3.503 -0.122 0.138 1.00 96.58 10 A 1 ATOM 68 C C . VAL A 1 10 ? -3.104 0.740 -1.058 1.00 96.58 10 A 1 ATOM 69 O O . VAL A 1 10 ? -3.854 0.855 -2.028 1.00 95.31 10 A 1 ATOM 70 C CB . VAL A 1 10 ? -4.556 0.613 0.985 1.00 95.97 10 A 1 ATOM 71 C CG1 . VAL A 1 10 ? -5.700 1.119 0.121 1.00 93.22 10 A 1 ATOM 72 C CG2 . VAL A 1 10 ? -5.092 -0.312 2.064 1.00 93.06 10 A 1 ATOM 73 N N . ALA A 1 11 ? -1.942 1.314 -0.997 1.00 96.88 11 A 1 ATOM 74 C CA . ALA A 1 11 ? -1.475 2.202 -2.061 1.00 96.58 11 A 1 ATOM 75 C C . ALA A 1 11 ? -0.580 1.487 -3.070 1.00 96.88 11 A 1 ATOM 76 O O . ALA A 1 11 ? -0.069 2.110 -3.994 1.00 95.69 11 A 1 ATOM 77 C CB . ALA A 1 11 ? -0.722 3.378 -1.443 1.00 96.18 11 A 1 ATOM 78 N N . LEU A 1 12 ? -0.383 0.190 -2.886 1.00 96.39 12 A 1 ATOM 79 C CA . LEU A 1 12 ? 0.490 -0.577 -3.778 1.00 95.94 12 A 1 ATOM 80 C C . LEU A 1 12 ? -0.276 -1.637 -4.575 1.00 96.32 12 A 1 ATOM 81 O O . LEU A 1 12 ? -0.249 -1.631 -5.806 1.00 95.51 12 A 1 ATOM 82 C CB . LEU A 1 12 ? 1.609 -1.231 -2.954 1.00 95.43 12 A 1 ATOM 83 C CG . LEU A 1 12 ? 2.823 -1.631 -3.791 1.00 91.94 12 A 1 ATOM 84 C CD1 . LEU A 1 12 ? 3.828 -0.484 -3.860 1.00 89.07 12 A 1 ATOM 85 C CD2 . LEU A 1 12 ? 3.484 -2.867 -3.201 1.00 88.21 12 A 1 ATOM 86 N N . PRO A 1 13 ? -0.948 -2.568 -3.895 1.00 96.87 13 A 1 ATOM 87 C CA . PRO A 1 13 ? -1.668 -3.652 -4.581 1.00 96.39 13 A 1 ATOM 88 C C . PRO A 1 13 ? -2.907 -3.192 -5.343 1.00 96.60 13 A 1 ATOM 89 O O . PRO A 1 13 ? -3.310 -3.826 -6.317 1.00 94.94 13 A 1 ATOM 90 C CB . PRO A 1 13 ? -2.065 -4.585 -3.431 1.00 95.29 13 A 1 ATOM 91 C CG . PRO A 1 13 ? -2.140 -3.701 -2.234 1.00 94.73 13 A 1 ATOM 92 C CD . PRO A 1 13 ? -1.098 -2.628 -2.437 1.00 96.27 13 A 1 ATOM 93 N N . ARG A 1 14 ? -3.523 -2.125 -4.928 1.00 96.05 14 A 1 ATOM 94 C CA . ARG A 1 14 ? -4.737 -1.615 -5.581 1.00 96.01 14 A 1 ATOM 95 C C . ARG A 1 14 ? -4.453 -1.174 -7.018 1.00 96.38 14 A 1 ATOM 96 O O . ARG A 1 14 ? -5.365 -1.090 -7.831 1.00 94.86 14 A 1 ATOM 97 C CB . ARG A 1 14 ? -5.272 -0.421 -4.790 1.00 94.83 14 A 1 ATOM 98 C CG . ARG A 1 14 ? -4.488 0.851 -5.064 1.00 89.75 14 A 1 ATOM 99 C CD . ARG A 1 14 ? -3.932 1.433 -3.792 1.00 87.54 14 A 1 ATOM 100 N NE . ARG A 1 14 ? -4.926 2.310 -3.161 1.00 84.72 14 A 1 ATOM 101 C CZ . ARG A 1 14 ? -5.071 3.585 -3.458 1.00 83.23 14 A 1 ATOM 102 N NH1 . ARG A 1 14 ? -4.320 4.174 -4.368 1.00 77.25 14 A 1 ATOM 103 N NH2 . ARG A 1 14 ? -5.992 4.289 -2.824 1.00 78.93 14 A 1 ATOM 104 N N . VAL A 1 15 ? -3.214 -0.884 -7.327 1.00 95.77 15 A 1 ATOM 105 C CA . VAL A 1 15 ? -2.846 -0.442 -8.675 1.00 95.39 15 A 1 ATOM 106 C C . VAL A 1 15 ? -2.805 -1.609 -9.661 1.00 95.84 15 A 1 ATOM 107 O O . VAL A 1 15 ? -2.924 -1.421 -10.868 1.00 94.01 15 A 1 ATOM 108 C CB . VAL A 1 15 ? -1.473 0.262 -8.649 1.00 94.05 15 A 1 ATOM 109 C CG1 . VAL A 1 15 ? -0.340 -0.753 -8.551 1.00 88.48 15 A 1 ATOM 110 C CG2 . VAL A 1 15 ? -1.302 1.104 -9.899 1.00 88.03 15 A 1 ATOM 111 N N . TRP A 1 16 ? -2.632 -2.831 -9.151 1.00 95.53 16 A 1 ATOM 112 C CA . TRP A 1 16 ? -2.553 -4.020 -9.999 1.00 94.84 16 A 1 ATOM 113 C C . TRP A 1 16 ? -3.915 -4.675 -10.193 1.00 95.09 16 A 1 ATOM 114 O O . TRP A 1 16 ? -4.021 -5.752 -10.762 1.00 93.23 16 A 1 ATOM 115 C CB . TRP A 1 16 ? -1.565 -5.018 -9.384 1.00 93.72 16 A 1 ATOM 116 C CG . TRP A 1 16 ? -0.832 -5.797 -10.421 1.00 90.10 16 A 1 ATOM 117 C CD1 . TRP A 1 16 ? -0.924 -7.148 -10.633 1.00 86.24 16 A 1 ATOM 118 C CD2 . TRP A 1 16 ? 0.099 -5.308 -11.394 1.00 89.07 16 A 1 ATOM 119 N NE1 . TRP A 1 16 ? -0.106 -7.515 -11.676 1.00 84.94 16 A 1 ATOM 120 C CE2 . TRP A 1 16 ? 0.538 -6.400 -12.169 1.00 87.82 16 A 1 ATOM 121 C CE3 . TRP A 1 16 ? 0.609 -4.039 -11.689 1.00 84.13 16 A 1 ATOM 122 C CZ2 . TRP A 1 16 ? 1.459 -6.254 -13.209 1.00 85.80 16 A 1 ATOM 123 C CZ3 . TRP A 1 16 ? 1.517 -3.898 -12.725 1.00 81.51 16 A 1 ATOM 124 C CH2 . TRP A 1 16 ? 1.934 -4.994 -13.476 1.00 82.14 16 A 1 ATOM 125 N N . THR A 1 17 ? -4.959 -4.010 -9.744 1.00 94.06 17 A 1 ATOM 126 C CA . THR A 1 17 ? -6.310 -4.552 -9.857 1.00 92.92 17 A 1 ATOM 127 C C . THR A 1 17 ? -7.173 -3.688 -10.778 1.00 91.50 17 A 1 ATOM 128 O O . THR A 1 17 ? -6.942 -2.470 -10.834 1.00 87.34 17 A 1 ATOM 129 C CB . THR A 1 17 ? -6.960 -4.632 -8.470 1.00 88.04 17 A 1 ATOM 130 O OG1 . THR A 1 17 ? -6.891 -3.360 -7.844 1.00 83.48 17 A 1 ATOM 131 C CG2 . THR A 1 17 ? -6.261 -5.664 -7.607 1.00 84.59 17 A 1 ATOM 132 O OXT . THR A 1 17 ? -8.092 -4.220 -11.435 1.00 83.18 17 A 1 #