# 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_spkb24284 # _entry.id spkb24284 # 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" "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" "C3 H7 N O3" 105.093 SER y SERINE C([C@@H](C(=O)O)N)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 SER 2 1 n ALA 3 1 n ASN 4 1 n VAL 5 1 n THR 6 1 n LEU 7 1 n LEU 8 1 n LEU 9 1 n ILE 10 1 n PHE 11 1 n VAL 12 1 n THR 13 1 n LEU 14 1 n ALA 15 1 n SER 16 1 n VAL 17 1 n THR 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 @ 2025-07-08 10:12:00)" _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 94.71 _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 79.63 1 1 A SER 2 2 90.78 1 2 A ALA 3 2 96.69 1 3 A ASN 4 2 94.16 1 4 A VAL 5 2 96.37 1 5 A THR 6 2 96.43 1 6 A LEU 7 2 95.91 1 7 A LEU 8 2 94.87 1 8 A LEU 9 2 95.20 1 9 A ILE 10 2 97.25 1 10 A PHE 11 2 94.90 1 11 A VAL 12 2 97.56 1 12 A THR 13 2 96.93 1 13 A LEU 14 2 96.47 1 14 A ALA 15 2 98.21 1 15 A SER 16 2 97.36 1 16 A VAL 17 2 96.16 1 17 A THR 18 2 94.88 1 18 A ALA 19 2 91.91 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 SER . 2 A 2 A 3 1 n ALA . 3 A 3 A 4 1 n ASN . 4 A 4 A 5 1 n VAL . 5 A 5 A 6 1 n THR . 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 ILE . 10 A 10 A 11 1 n PHE . 11 A 11 A 12 1 n VAL . 12 A 12 A 13 1 n THR . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n ALA . 15 A 15 A 16 1 n SER . 16 A 16 A 17 1 n VAL . 17 A 17 A 18 1 n THR . 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 ? -12.599 0.333 8.716 1.00 85.45 1 A 1 ATOM 2 C CA . MET A 1 1 ? -11.469 0.345 7.769 1.00 86.36 1 A 1 ATOM 3 C C . MET A 1 1 ? -11.971 0.330 6.335 1.00 87.58 1 A 1 ATOM 4 O O . MET A 1 1 ? -12.807 -0.500 5.978 1.00 85.78 1 A 1 ATOM 5 C CB . MET A 1 1 ? -10.563 -0.870 7.998 1.00 79.55 1 A 1 ATOM 6 C CG . MET A 1 1 ? -9.301 -0.820 7.159 1.00 75.96 1 A 1 ATOM 7 S SD . MET A 1 1 ? -8.175 -2.183 7.489 1.00 71.63 1 A 1 ATOM 8 C CE . MET A 1 1 ? -7.586 -1.731 9.115 1.00 64.75 1 A 1 ATOM 9 N N . SER A 1 2 ? -11.467 1.236 5.526 1.00 88.29 2 A 1 ATOM 10 C CA . SER A 1 2 ? -11.881 1.329 4.128 1.00 94.38 2 A 1 ATOM 11 C C . SER A 1 2 ? -11.032 0.418 3.243 1.00 95.95 2 A 1 ATOM 12 O O . SER A 1 2 ? -9.858 0.182 3.525 1.00 94.40 2 A 1 ATOM 13 C CB . SER A 1 2 ? -11.764 2.761 3.628 1.00 90.54 2 A 1 ATOM 14 O OG . SER A 1 2 ? -12.186 2.849 2.277 1.00 81.13 2 A 1 ATOM 15 N N . ALA A 1 3 ? -11.638 -0.069 2.150 1.00 95.78 3 A 1 ATOM 16 C CA . ALA A 1 3 ? -10.928 -0.933 1.204 1.00 97.02 3 A 1 ATOM 17 C C . ALA A 1 3 ? -9.788 -0.171 0.532 1.00 97.72 3 A 1 ATOM 18 O O . ALA A 1 3 ? -8.732 -0.736 0.242 1.00 97.19 3 A 1 ATOM 19 C CB . ALA A 1 3 ? -11.902 -1.456 0.152 1.00 95.75 3 A 1 ATOM 20 N N . ASN A 1 4 ? -10.007 1.121 0.292 1.00 96.39 4 A 1 ATOM 21 C CA . ASN A 1 4 ? -8.986 1.956 -0.347 1.00 97.33 4 A 1 ATOM 22 C C . ASN A 1 4 ? -7.718 1.998 0.495 1.00 97.71 4 A 1 ATOM 23 O O . ASN A 1 4 ? -6.610 2.021 -0.035 1.00 97.18 4 A 1 ATOM 24 C CB . ASN A 1 4 ? -9.525 3.371 -0.543 1.00 96.12 4 A 1 ATOM 25 C CG . ASN A 1 4 ? -10.672 3.386 -1.542 1.00 92.65 4 A 1 ATOM 26 O OD1 . ASN A 1 4 ? -11.798 3.686 -1.190 1.00 88.94 4 A 1 ATOM 27 N ND2 . ASN A 1 4 ? -10.393 3.063 -2.792 1.00 86.99 4 A 1 ATOM 28 N N . VAL A 1 5 ? -7.874 2.002 1.796 1.00 97.41 5 A 1 ATOM 29 C CA . VAL A 1 5 ? -6.730 2.017 2.709 1.00 97.61 5 A 1 ATOM 30 C C . VAL A 1 5 ? -5.892 0.760 2.513 1.00 97.98 5 A 1 ATOM 31 O O . VAL A 1 5 ? -4.660 0.812 2.518 1.00 97.62 5 A 1 ATOM 32 C CB . VAL A 1 5 ? -7.198 2.112 4.166 1.00 96.80 5 A 1 ATOM 33 C CG1 . VAL A 1 5 ? -6.008 2.053 5.112 1.00 93.63 5 A 1 ATOM 34 C CG2 . VAL A 1 5 ? -7.978 3.402 4.374 1.00 93.56 5 A 1 ATOM 35 N N . THR A 1 6 ? -6.559 -0.369 2.338 1.00 97.56 6 A 1 ATOM 36 C CA . THR A 1 6 ? -5.862 -1.640 2.133 1.00 97.85 6 A 1 ATOM 37 C C . THR A 1 6 ? -5.019 -1.582 0.861 1.00 98.14 6 A 1 ATOM 38 O O . THR A 1 6 ? -3.874 -2.037 0.846 1.00 97.93 6 A 1 ATOM 39 C CB . THR A 1 6 ? -6.865 -2.796 2.030 1.00 97.54 6 A 1 ATOM 40 O OG1 . THR A 1 6 ? -7.703 -2.799 3.188 1.00 93.99 6 A 1 ATOM 41 C CG2 . THR A 1 6 ? -6.140 -4.131 1.931 1.00 92.02 6 A 1 ATOM 42 N N . LEU A 1 7 ? -5.582 -1.027 -0.210 1.00 97.69 7 A 1 ATOM 43 C CA . LEU A 1 7 ? -4.862 -0.907 -1.476 1.00 97.80 7 A 1 ATOM 44 C C . LEU A 1 7 ? -3.609 -0.050 -1.298 1.00 97.95 7 A 1 ATOM 45 O O . LEU A 1 7 ? -2.543 -0.373 -1.818 1.00 97.82 7 A 1 ATOM 46 C CB . LEU A 1 7 ? -5.770 -0.301 -2.559 1.00 97.63 7 A 1 ATOM 47 C CG . LEU A 1 7 ? -6.697 -1.305 -3.270 1.00 93.66 7 A 1 ATOM 48 C CD1 . LEU A 1 7 ? -5.879 -2.406 -3.932 1.00 92.22 7 A 1 ATOM 49 C CD2 . LEU A 1 7 ? -7.696 -1.915 -2.303 1.00 92.55 7 A 1 ATOM 50 N N . LEU A 1 8 ? -3.738 1.038 -0.558 1.00 97.46 8 A 1 ATOM 51 C CA . LEU A 1 8 ? -2.606 1.928 -0.316 1.00 97.33 8 A 1 ATOM 52 C C . LEU A 1 8 ? -1.483 1.188 0.402 1.00 97.64 8 A 1 ATOM 53 O O . LEU A 1 8 ? -0.318 1.295 0.023 1.00 97.65 8 A 1 ATOM 54 C CB . LEU A 1 8 ? -3.062 3.126 0.522 1.00 97.02 8 A 1 ATOM 55 C CG . LEU A 1 8 ? -3.847 4.164 -0.279 1.00 91.24 8 A 1 ATOM 56 C CD1 . LEU A 1 8 ? -4.500 5.172 0.655 1.00 90.20 8 A 1 ATOM 57 C CD2 . LEU A 1 8 ? -2.924 4.888 -1.256 1.00 90.44 8 A 1 ATOM 58 N N . LEU A 1 9 ? -1.834 0.431 1.425 1.00 97.47 9 A 1 ATOM 59 C CA . LEU A 1 9 ? -0.841 -0.325 2.185 1.00 97.63 9 A 1 ATOM 60 C C . LEU A 1 9 ? -0.136 -1.344 1.293 1.00 97.99 9 A 1 ATOM 61 O O . LEU A 1 9 ? 1.077 -1.534 1.386 1.00 98.07 9 A 1 ATOM 62 C CB . LEU A 1 9 ? -1.507 -1.037 3.363 1.00 97.34 9 A 1 ATOM 63 C CG . LEU A 1 9 ? -1.487 -0.221 4.660 1.00 91.40 9 A 1 ATOM 64 C CD1 . LEU A 1 9 ? -2.322 1.051 4.513 1.00 90.61 9 A 1 ATOM 65 C CD2 . LEU A 1 9 ? -2.008 -1.049 5.824 1.00 91.09 9 A 1 ATOM 66 N N . ILE A 1 10 ? -0.898 -1.997 0.428 1.00 97.93 10 A 1 ATOM 67 C CA . ILE A 1 10 ? -0.332 -2.991 -0.481 1.00 97.98 10 A 1 ATOM 68 C C . ILE A 1 10 ? 0.659 -2.331 -1.439 1.00 98.15 10 A 1 ATOM 69 O O . ILE A 1 10 ? 1.773 -2.828 -1.635 1.00 98.02 10 A 1 ATOM 70 C CB . ILE A 1 10 ? -1.449 -3.702 -1.272 1.00 97.94 10 A 1 ATOM 71 C CG1 . ILE A 1 10 ? -2.289 -4.572 -0.327 1.00 96.94 10 A 1 ATOM 72 C CG2 . ILE A 1 10 ? -0.838 -4.575 -2.377 1.00 96.43 10 A 1 ATOM 73 C CD1 . ILE A 1 10 ? -3.584 -5.058 -0.954 1.00 94.63 10 A 1 ATOM 74 N N . PHE A 1 11 ? 0.258 -1.218 -2.048 1.00 97.61 11 A 1 ATOM 75 C CA . PHE A 1 11 ? 1.128 -0.525 -2.993 1.00 97.56 11 A 1 ATOM 76 C C . PHE A 1 11 ? 2.388 -0.017 -2.306 1.00 97.96 11 A 1 ATOM 77 O O . PHE A 1 11 ? 3.488 -0.114 -2.854 1.00 97.73 11 A 1 ATOM 78 C CB . PHE A 1 11 ? 0.380 0.645 -3.638 1.00 97.10 11 A 1 ATOM 79 C CG . PHE A 1 11 ? -0.653 0.187 -4.646 1.00 94.79 11 A 1 ATOM 80 C CD1 . PHE A 1 11 ? -0.274 -0.593 -5.729 1.00 92.30 11 A 1 ATOM 81 C CD2 . PHE A 1 11 ? -1.982 0.561 -4.516 1.00 92.65 11 A 1 ATOM 82 C CE1 . PHE A 1 11 ? -1.217 -1.014 -6.662 1.00 92.24 11 A 1 ATOM 83 C CE2 . PHE A 1 11 ? -2.927 0.141 -5.447 1.00 91.94 11 A 1 ATOM 84 C CZ . PHE A 1 11 ? -2.546 -0.649 -6.518 1.00 92.03 11 A 1 ATOM 85 N N . VAL A 1 12 ? 2.244 0.516 -1.108 1.00 98.26 12 A 1 ATOM 86 C CA . VAL A 1 12 ? 3.395 1.022 -0.359 1.00 98.24 12 A 1 ATOM 87 C C . VAL A 1 12 ? 4.362 -0.119 -0.058 1.00 98.43 12 A 1 ATOM 88 O O . VAL A 1 12 ? 5.579 0.027 -0.199 1.00 98.17 12 A 1 ATOM 89 C CB . VAL A 1 12 ? 2.944 1.702 0.945 1.00 97.76 12 A 1 ATOM 90 C CG1 . VAL A 1 12 ? 4.145 2.073 1.809 1.00 96.02 12 A 1 ATOM 91 C CG2 . VAL A 1 12 ? 2.135 2.955 0.629 1.00 96.04 12 A 1 ATOM 92 N N . THR A 1 13 ? 3.822 -1.246 0.345 1.00 98.11 13 A 1 ATOM 93 C CA . THR A 1 13 ? 4.652 -2.404 0.666 1.00 98.10 13 A 1 ATOM 94 C C . THR A 1 13 ? 5.395 -2.888 -0.578 1.00 98.24 13 A 1 ATOM 95 O O . THR A 1 13 ? 6.592 -3.183 -0.524 1.00 97.83 13 A 1 ATOM 96 C CB . THR A 1 13 ? 3.794 -3.544 1.224 1.00 97.72 13 A 1 ATOM 97 O OG1 . THR A 1 13 ? 3.102 -3.094 2.388 1.00 94.95 13 A 1 ATOM 98 C CG2 . THR A 1 13 ? 4.668 -4.736 1.601 1.00 93.58 13 A 1 ATOM 99 N N . LEU A 1 14 ? 4.694 -2.963 -1.698 1.00 98.23 14 A 1 ATOM 100 C CA . LEU A 1 14 ? 5.301 -3.405 -2.951 1.00 98.12 14 A 1 ATOM 101 C C . LEU A 1 14 ? 6.416 -2.457 -3.370 1.00 98.20 14 A 1 ATOM 102 O O . LEU A 1 14 ? 7.494 -2.894 -3.770 1.00 97.90 14 A 1 ATOM 103 C CB . LEU A 1 14 ? 4.237 -3.470 -4.046 1.00 97.70 14 A 1 ATOM 104 C CG . LEU A 1 14 ? 3.266 -4.639 -3.887 1.00 94.62 14 A 1 ATOM 105 C CD1 . LEU A 1 14 ? 2.099 -4.489 -4.846 1.00 93.62 14 A 1 ATOM 106 C CD2 . LEU A 1 14 ? 3.982 -5.962 -4.133 1.00 93.36 14 A 1 ATOM 107 N N . ALA A 1 15 ? 6.155 -1.164 -3.285 1.00 98.41 15 A 1 ATOM 108 C CA . ALA A 1 15 ? 7.152 -0.164 -3.661 1.00 98.31 15 A 1 ATOM 109 C C . ALA A 1 15 ? 8.381 -0.261 -2.763 1.00 98.44 15 A 1 ATOM 110 O O . ALA A 1 15 ? 9.514 -0.123 -3.227 1.00 98.04 15 A 1 ATOM 111 C CB . ALA A 1 15 ? 6.538 1.229 -3.573 1.00 97.85 15 A 1 ATOM 112 N N . SER A 1 16 ? 8.163 -0.513 -1.490 1.00 98.47 16 A 1 ATOM 113 C CA . SER A 1 16 ? 9.258 -0.613 -0.527 1.00 98.44 16 A 1 ATOM 114 C C . SER A 1 16 ? 10.122 -1.839 -0.800 1.00 98.49 16 A 1 ATOM 115 O O . SER A 1 16 ? 11.351 -1.756 -0.794 1.00 97.80 16 A 1 ATOM 116 C CB . SER A 1 16 ? 8.704 -0.675 0.894 1.00 97.94 16 A 1 ATOM 117 O OG . SER A 1 16 ? 9.763 -0.719 1.828 1.00 93.01 16 A 1 ATOM 118 N N . VAL A 1 17 ? 9.484 -2.974 -1.036 1.00 98.14 17 A 1 ATOM 119 C CA . VAL A 1 17 ? 10.223 -4.214 -1.285 1.00 97.90 17 A 1 ATOM 120 C C . VAL A 1 17 ? 10.872 -4.206 -2.664 1.00 98.12 17 A 1 ATOM 121 O O . VAL A 1 17 ? 11.910 -4.837 -2.874 1.00 97.42 17 A 1 ATOM 122 C CB . VAL A 1 17 ? 9.293 -5.434 -1.152 1.00 96.72 17 A 1 ATOM 123 C CG1 . VAL A 1 17 ? 8.302 -5.488 -2.308 1.00 92.34 17 A 1 ATOM 124 C CG2 . VAL A 1 17 ? 10.109 -6.712 -1.098 1.00 92.46 17 A 1 ATOM 125 N N . THR A 1 18 ? 10.275 -3.499 -3.611 1.00 97.33 18 A 1 ATOM 126 C CA . THR A 1 18 ? 10.814 -3.424 -4.971 1.00 97.02 18 A 1 ATOM 127 C C . THR A 1 18 ? 12.099 -2.611 -5.009 1.00 96.77 18 A 1 ATOM 128 O O . THR A 1 18 ? 13.017 -2.918 -5.773 1.00 95.28 18 A 1 ATOM 129 C CB . THR A 1 18 ? 9.791 -2.789 -5.919 1.00 95.61 18 A 1 ATOM 130 O OG1 . THR A 1 18 ? 8.605 -3.582 -5.932 1.00 91.58 18 A 1 ATOM 131 C CG2 . THR A 1 18 ? 10.341 -2.712 -7.333 1.00 90.57 18 A 1 ATOM 132 N N . ALA A 1 19 ? 12.171 -1.571 -4.185 1.00 96.52 19 A 1 ATOM 133 C CA . ALA A 1 19 ? 13.339 -0.703 -4.157 1.00 95.19 19 A 1 ATOM 134 C C . ALA A 1 19 ? 14.558 -1.434 -3.594 1.00 93.67 19 A 1 ATOM 135 O O . ALA A 1 19 ? 14.408 -2.193 -2.622 1.00 89.99 19 A 1 ATOM 136 C CB . ALA A 1 19 ? 13.042 0.556 -3.345 1.00 91.97 19 A 1 ATOM 137 O OXT . ALA A 1 19 ? 15.664 -1.239 -4.117 1.00 84.10 19 A 1 #