# 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_spkb29582 # _entry.id spkb29582 # 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" "C4 H8 N2 O3" 132.118 ASN y ASPARAGINE C([C@@H](C(=O)O)N)C(=O)N ? "L-PEPTIDE LINKING" "C5 H9 N O4" 147.129 GLU y "GLUTAMIC ACID" C(CC(=O)O)[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" "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" "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 ASN 2 1 n PRO 3 1 n LEU 4 1 n ALA 5 1 n LEU 6 1 n LEU 7 1 n VAL 8 1 n GLU 9 1 n ILE 10 1 n LEU 11 1 n ILE 12 1 n ILE 13 1 n ILE 14 1 n GLU 15 1 n VAL 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 @ 2025-07-12 06:50:06)" _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 93.92 _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 81.82 1 1 A ASN 2 2 90.57 1 2 A PRO 3 2 95.39 1 3 A LEU 4 2 94.50 1 4 A ALA 5 2 96.98 1 5 A LEU 6 2 95.55 1 6 A LEU 7 2 95.17 1 7 A VAL 8 2 96.32 1 8 A GLU 9 2 92.46 1 9 A ILE 10 2 95.80 1 10 A LEU 11 2 95.68 1 11 A ILE 12 2 96.28 1 12 A ILE 13 2 95.86 1 13 A ILE 14 2 96.70 1 14 A GLU 15 2 91.10 1 15 A VAL 16 2 95.12 1 16 A THR 17 2 94.91 1 17 A THR 18 2 92.80 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 ASN . 2 A 2 A 3 1 n PRO . 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 VAL . 8 A 8 A 9 1 n GLU . 9 A 9 A 10 1 n ILE . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n ILE . 12 A 12 A 13 1 n ILE . 13 A 13 A 14 1 n ILE . 14 A 14 A 15 1 n GLU . 15 A 15 A 16 1 n VAL . 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 ? -9.701 10.420 9.094 1.00 87.37 1 A 1 ATOM 2 C CA . MET A 1 1 ? -8.792 9.459 8.451 1.00 88.98 1 A 1 ATOM 3 C C . MET A 1 1 ? -7.476 9.382 9.212 1.00 90.52 1 A 1 ATOM 4 O O . MET A 1 1 ? -6.930 10.401 9.623 1.00 87.83 1 A 1 ATOM 5 C CB . MET A 1 1 ? -8.509 9.856 7.002 1.00 83.73 1 A 1 ATOM 6 C CG . MET A 1 1 ? -7.682 8.824 6.257 1.00 78.04 1 A 1 ATOM 7 S SD . MET A 1 1 ? -7.338 9.289 4.552 1.00 73.13 1 A 1 ATOM 8 C CE . MET A 1 1 ? -8.972 9.182 3.847 1.00 64.99 1 A 1 ATOM 9 N N . ASN A 1 2 ? -6.956 8.183 9.392 1.00 89.91 2 A 1 ATOM 10 C CA . ASN A 1 2 ? -5.711 7.982 10.123 1.00 94.48 2 A 1 ATOM 11 C C . ASN A 1 2 ? -4.507 8.122 9.195 1.00 95.75 2 A 1 ATOM 12 O O . ASN A 1 2 ? -4.420 7.413 8.189 1.00 94.58 2 A 1 ATOM 13 C CB . ASN A 1 2 ? -5.703 6.603 10.773 1.00 91.61 2 A 1 ATOM 14 C CG . ASN A 1 2 ? -6.699 6.501 11.907 1.00 88.80 2 A 1 ATOM 15 O OD1 . ASN A 1 2 ? -7.363 7.467 12.254 1.00 85.64 2 A 1 ATOM 16 N ND2 . ASN A 1 2 ? -6.811 5.320 12.489 1.00 83.78 2 A 1 ATOM 17 N N . PRO A 1 3 ? -3.567 9.015 9.510 1.00 95.72 3 A 1 ATOM 18 C CA . PRO A 1 3 ? -2.364 9.209 8.687 1.00 96.51 3 A 1 ATOM 19 C C . PRO A 1 3 ? -1.555 7.926 8.546 1.00 97.21 3 A 1 ATOM 20 O O . PRO A 1 3 ? -0.973 7.667 7.490 1.00 96.09 3 A 1 ATOM 21 C CB . PRO A 1 3 ? -1.564 10.273 9.452 1.00 94.95 3 A 1 ATOM 22 C CG . PRO A 1 3 ? -2.579 10.970 10.300 1.00 92.90 3 A 1 ATOM 23 C CD . PRO A 1 3 ? -3.616 9.937 10.643 1.00 94.33 3 A 1 ATOM 24 N N . LEU A 1 4 ? -1.517 7.117 9.602 1.00 96.64 4 A 1 ATOM 25 C CA . LEU A 1 4 ? -0.769 5.864 9.583 1.00 96.95 4 A 1 ATOM 26 C C . LEU A 1 4 ? -1.310 4.926 8.512 1.00 97.20 4 A 1 ATOM 27 O O . LEU A 1 4 ? -0.546 4.258 7.812 1.00 96.70 4 A 1 ATOM 28 C CB . LEU A 1 4 ? -0.850 5.188 10.950 1.00 96.16 4 A 1 ATOM 29 C CG . LEU A 1 4 ? -0.069 3.880 11.025 1.00 92.56 4 A 1 ATOM 30 C CD1 . LEU A 1 4 ? 1.407 4.125 10.765 1.00 90.16 4 A 1 ATOM 31 C CD2 . LEU A 1 4 ? -0.262 3.239 12.393 1.00 89.59 4 A 1 ATOM 32 N N . ALA A 1 5 ? -2.631 4.867 8.379 1.00 96.92 5 A 1 ATOM 33 C CA . ALA A 1 5 ? -3.267 4.011 7.382 1.00 97.28 5 A 1 ATOM 34 C C . ALA A 1 5 ? -2.852 4.423 5.973 1.00 97.46 5 A 1 ATOM 35 O O . ALA A 1 5 ? -2.621 3.575 5.111 1.00 96.70 5 A 1 ATOM 36 C CB . ALA A 1 5 ? -4.782 4.084 7.526 1.00 96.56 5 A 1 ATOM 37 N N . LEU A 1 6 ? -2.756 5.716 5.737 1.00 97.07 6 A 1 ATOM 38 C CA . LEU A 1 6 ? -2.354 6.232 4.431 1.00 97.31 6 A 1 ATOM 39 C C . LEU A 1 6 ? -0.921 5.822 4.104 1.00 97.55 6 A 1 ATOM 40 O O . LEU A 1 6 ? -0.618 5.428 2.977 1.00 97.05 6 A 1 ATOM 41 C CB . LEU A 1 6 ? -2.482 7.755 4.408 1.00 96.85 6 A 1 ATOM 42 C CG . LEU A 1 6 ? -2.094 8.386 3.076 1.00 94.45 6 A 1 ATOM 43 C CD1 . LEU A 1 6 ? -3.005 7.890 1.962 1.00 92.32 6 A 1 ATOM 44 C CD2 . LEU A 1 6 ? -2.174 9.903 3.175 1.00 91.78 6 A 1 ATOM 45 N N . LEU A 1 7 ? -0.040 5.911 5.091 1.00 96.88 7 A 1 ATOM 46 C CA . LEU A 1 7 ? 1.360 5.541 4.903 1.00 97.07 7 A 1 ATOM 47 C C . LEU A 1 7 ? 1.487 4.068 4.547 1.00 97.36 7 A 1 ATOM 48 O O . LEU A 1 7 ? 2.276 3.695 3.678 1.00 97.11 7 A 1 ATOM 49 C CB . LEU A 1 7 ? 2.148 5.834 6.179 1.00 96.59 7 A 1 ATOM 50 C CG . LEU A 1 7 ? 2.258 7.318 6.518 1.00 93.54 7 A 1 ATOM 51 C CD1 . LEU A 1 7 ? 2.897 7.511 7.879 1.00 91.58 7 A 1 ATOM 52 C CD2 . LEU A 1 7 ? 3.069 8.047 5.452 1.00 91.25 7 A 1 ATOM 53 N N . VAL A 1 8 ? 0.710 3.237 5.226 1.00 97.06 8 A 1 ATOM 54 C CA . VAL A 1 8 ? 0.732 1.798 4.976 1.00 97.24 8 A 1 ATOM 55 C C . VAL A 1 8 ? 0.245 1.492 3.567 1.00 97.45 8 A 1 ATOM 56 O O . VAL A 1 8 ? 0.808 0.640 2.875 1.00 96.97 8 A 1 ATOM 57 C CB . VAL A 1 8 ? -0.134 1.054 6.003 1.00 96.57 8 A 1 ATOM 58 C CG1 . VAL A 1 8 ? -0.226 -0.426 5.659 1.00 94.59 8 A 1 ATOM 59 C CG2 . VAL A 1 8 ? 0.445 1.230 7.399 1.00 94.39 8 A 1 ATOM 60 N N . GLU A 1 9 ? -0.806 2.170 3.136 1.00 96.95 9 A 1 ATOM 61 C CA . GLU A 1 9 ? -1.360 1.954 1.799 1.00 97.27 9 A 1 ATOM 62 C C . GLU A 1 9 ? -0.322 2.263 0.726 1.00 97.51 9 A 1 ATOM 63 O O . GLU A 1 9 ? -0.187 1.523 -0.253 1.00 96.48 9 A 1 ATOM 64 C CB . GLU A 1 9 ? -2.594 2.835 1.597 1.00 96.57 9 A 1 ATOM 65 C CG . GLU A 1 9 ? -3.790 2.357 2.405 1.00 91.09 9 A 1 ATOM 66 C CD . GLU A 1 9 ? -4.974 3.296 2.269 1.00 88.46 9 A 1 ATOM 67 O OE1 . GLU A 1 9 ? -4.872 4.269 1.503 1.00 83.15 9 A 1 ATOM 68 O OE2 . GLU A 1 9 ? -5.997 3.060 2.931 1.00 84.70 9 A 1 ATOM 69 N N . ILE A 1 10 ? 0.415 3.344 0.907 1.00 97.21 10 A 1 ATOM 70 C CA . ILE A 1 10 ? 1.449 3.731 -0.051 1.00 97.30 10 A 1 ATOM 71 C C . ILE A 1 10 ? 2.528 2.658 -0.127 1.00 97.63 10 A 1 ATOM 72 O O . ILE A 1 10 ? 2.987 2.301 -1.216 1.00 97.06 10 A 1 ATOM 73 C CB . ILE A 1 10 ? 2.075 5.081 0.341 1.00 96.76 10 A 1 ATOM 74 C CG1 . ILE A 1 10 ? 1.026 6.194 0.246 1.00 94.66 10 A 1 ATOM 75 C CG2 . ILE A 1 10 ? 3.262 5.397 -0.563 1.00 94.37 10 A 1 ATOM 76 C CD1 . ILE A 1 10 ? 1.467 7.477 0.921 1.00 91.43 10 A 1 ATOM 77 N N . LEU A 1 11 ? 2.927 2.138 1.022 1.00 97.24 11 A 1 ATOM 78 C CA . LEU A 1 11 ? 3.954 1.104 1.074 1.00 97.31 11 A 1 ATOM 79 C C . LEU A 1 11 ? 3.492 -0.154 0.351 1.00 97.46 11 A 1 ATOM 80 O O . LEU A 1 11 ? 4.264 -0.788 -0.369 1.00 96.73 11 A 1 ATOM 81 C CB . LEU A 1 11 ? 4.288 0.780 2.530 1.00 96.88 11 A 1 ATOM 82 C CG . LEU A 1 11 ? 5.381 -0.270 2.690 1.00 95.02 11 A 1 ATOM 83 C CD1 . LEU A 1 11 ? 6.681 0.214 2.075 1.00 92.55 11 A 1 ATOM 84 C CD2 . LEU A 1 11 ? 5.594 -0.595 4.164 1.00 92.24 11 A 1 ATOM 85 N N . ILE A 1 12 ? 2.232 -0.526 0.545 1.00 97.63 12 A 1 ATOM 86 C CA . ILE A 1 12 ? 1.669 -1.711 -0.097 1.00 97.65 12 A 1 ATOM 87 C C . ILE A 1 12 ? 1.682 -1.552 -1.613 1.00 97.80 12 A 1 ATOM 88 O O . ILE A 1 12 ? 2.023 -2.485 -2.342 1.00 97.02 12 A 1 ATOM 89 C CB . ILE A 1 12 ? 0.236 -1.964 0.395 1.00 97.22 12 A 1 ATOM 90 C CG1 . ILE A 1 12 ? 0.245 -2.340 1.878 1.00 95.52 12 A 1 ATOM 91 C CG2 . ILE A 1 12 ? -0.418 -3.079 -0.424 1.00 95.34 12 A 1 ATOM 92 C CD1 . ILE A 1 12 ? -1.133 -2.300 2.513 1.00 92.10 12 A 1 ATOM 93 N N . ILE A 1 13 ? 1.312 -0.375 -2.095 1.00 97.64 13 A 1 ATOM 94 C CA . ILE A 1 13 ? 1.283 -0.113 -3.531 1.00 97.71 13 A 1 ATOM 95 C C . ILE A 1 13 ? 2.674 -0.285 -4.135 1.00 97.89 13 A 1 ATOM 96 O O . ILE A 1 13 ? 2.826 -0.846 -5.223 1.00 97.32 13 A 1 ATOM 97 C CB . ILE A 1 13 ? 0.760 1.306 -3.813 1.00 97.13 13 A 1 ATOM 98 C CG1 . ILE A 1 13 ? -0.711 1.419 -3.404 1.00 94.55 13 A 1 ATOM 99 C CG2 . ILE A 1 13 ? 0.918 1.643 -5.296 1.00 94.38 13 A 1 ATOM 100 C CD1 . ILE A 1 13 ? -1.195 2.855 -3.324 1.00 90.27 13 A 1 ATOM 101 N N . ILE A 1 14 ? 3.691 0.186 -3.434 1.00 98.23 14 A 1 ATOM 102 C CA . ILE A 1 14 ? 5.066 0.065 -3.907 1.00 98.14 14 A 1 ATOM 103 C C . ILE A 1 14 ? 5.470 -1.399 -4.010 1.00 98.19 14 A 1 ATOM 104 O O . ILE A 1 14 ? 6.090 -1.815 -4.992 1.00 97.60 14 A 1 ATOM 105 C CB . ILE A 1 14 ? 6.026 0.810 -2.967 1.00 97.69 14 A 1 ATOM 106 C CG1 . ILE A 1 14 ? 5.737 2.313 -3.002 1.00 95.42 14 A 1 ATOM 107 C CG2 . ILE A 1 14 ? 7.474 0.541 -3.368 1.00 94.92 14 A 1 ATOM 108 C CD1 . ILE A 1 14 ? 6.414 3.071 -1.881 1.00 93.43 14 A 1 ATOM 109 N N . GLU A 1 15 ? 5.116 -2.188 -2.995 1.00 97.69 15 A 1 ATOM 110 C CA . GLU A 1 15 ? 5.451 -3.609 -2.981 1.00 97.62 15 A 1 ATOM 111 C C . GLU A 1 15 ? 4.763 -4.342 -4.117 1.00 97.55 15 A 1 ATOM 112 O O . GLU A 1 15 ? 5.352 -5.221 -4.751 1.00 96.05 15 A 1 ATOM 113 C CB . GLU A 1 15 ? 5.047 -4.234 -1.644 1.00 96.77 15 A 1 ATOM 114 C CG . GLU A 1 15 ? 5.909 -3.762 -0.489 1.00 89.49 15 A 1 ATOM 115 C CD . GLU A 1 15 ? 7.340 -4.237 -0.665 1.00 85.33 15 A 1 ATOM 116 O OE1 . GLU A 1 15 ? 7.534 -5.384 -1.093 1.00 79.05 15 A 1 ATOM 117 O OE2 . GLU A 1 15 ? 8.259 -3.458 -0.380 1.00 80.31 15 A 1 ATOM 118 N N . VAL A 1 16 ? 3.512 -3.986 -4.389 1.00 97.24 16 A 1 ATOM 119 C CA . VAL A 1 16 ? 2.752 -4.620 -5.463 1.00 97.12 16 A 1 ATOM 120 C C . VAL A 1 16 ? 3.343 -4.261 -6.823 1.00 97.42 16 A 1 ATOM 121 O O . VAL A 1 16 ? 3.367 -5.084 -7.743 1.00 96.05 16 A 1 ATOM 122 C CB . VAL A 1 16 ? 1.273 -4.201 -5.408 1.00 95.81 16 A 1 ATOM 123 C CG1 . VAL A 1 16 ? 0.515 -4.735 -6.615 1.00 91.05 16 A 1 ATOM 124 C CG2 . VAL A 1 16 ? 0.628 -4.701 -4.127 1.00 91.12 16 A 1 ATOM 125 N N . THR A 1 17 ? 3.816 -3.043 -6.957 1.00 97.43 17 A 1 ATOM 126 C CA . THR A 1 17 ? 4.393 -2.579 -8.216 1.00 97.32 17 A 1 ATOM 127 C C . THR A 1 17 ? 5.686 -3.322 -8.541 1.00 97.01 17 A 1 ATOM 128 O O . THR A 1 17 ? 5.950 -3.652 -9.697 1.00 95.15 17 A 1 ATOM 129 C CB . THR A 1 17 ? 4.681 -1.078 -8.157 1.00 96.31 17 A 1 ATOM 130 O OG1 . THR A 1 17 ? 3.477 -0.375 -7.859 1.00 91.44 17 A 1 ATOM 131 C CG2 . THR A 1 17 ? 5.226 -0.589 -9.489 1.00 89.68 17 A 1 ATOM 132 N N . THR A 1 18 ? 6.490 -3.577 -7.521 1.00 96.74 18 A 1 ATOM 133 C CA . THR A 1 18 ? 7.764 -4.275 -7.706 1.00 96.25 18 A 1 ATOM 134 C C . THR A 1 18 ? 7.527 -5.753 -7.993 1.00 94.32 18 A 1 ATOM 135 O O . THR A 1 18 ? 8.230 -6.319 -8.850 1.00 89.70 18 A 1 ATOM 136 C CB . THR A 1 18 ? 8.646 -4.148 -6.450 1.00 94.39 18 A 1 ATOM 137 O OG1 . THR A 1 18 ? 7.939 -4.657 -5.317 1.00 90.50 18 A 1 ATOM 138 C CG2 . THR A 1 18 ? 9.014 -2.700 -6.196 1.00 90.92 18 A 1 ATOM 139 O OXT . THR A 1 18 ? 6.676 -6.346 -7.376 1.00 89.57 18 A 1 #