# 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_spkb44407 # _entry.id spkb44407 # 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" "C2 H5 N O2" 75.067 GLY y GLYCINE C(C(=O)O)N ? "PEPTIDE LINKING" "C6 H10 N3 O2" 156.162 HIS y HISTIDINE c1c([nH+]c[nH]1)C[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" "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" "C9 H11 N O3" 181.189 TYR y TYROSINE c1cc(ccc1C[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 PHE 2 1 n LEU 3 1 n HIS 4 1 n LEU 5 1 n ILE 6 1 n LEU 7 1 n LEU 8 1 n ALA 9 1 n GLY 10 1 n LEU 11 1 n ALA 12 1 n PRO 13 1 n VAL 14 1 n VAL 15 1 n TYR 16 1 n LEU 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 @ 2025-07-10 19:46:55)" _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 88.08 _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 85.77 1 1 A PHE 2 2 79.38 1 2 A LEU 3 2 86.05 1 3 A HIS 4 2 86.03 1 4 A LEU 5 2 88.27 1 5 A ILE 6 2 90.25 1 6 A LEU 7 2 88.94 1 7 A LEU 8 2 89.11 1 8 A ALA 9 2 92.57 1 9 A GLY 10 2 94.27 1 10 A LEU 11 2 89.74 1 11 A ALA 12 2 90.91 1 12 A PRO 13 2 91.74 1 13 A VAL 14 2 92.10 1 14 A VAL 15 2 90.53 1 15 A TYR 16 2 88.64 1 16 A LEU 17 2 84.15 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 PHE . 2 A 2 A 3 1 n LEU . 3 A 3 A 4 1 n HIS . 4 A 4 A 5 1 n LEU . 5 A 5 A 6 1 n ILE . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n ALA . 9 A 9 A 10 1 n GLY . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n ALA . 12 A 12 A 13 1 n PRO . 13 A 13 A 14 1 n VAL . 14 A 14 A 15 1 n VAL . 15 A 15 A 16 1 n TYR . 16 A 16 A 17 1 n LEU . 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 ? -5.538 -8.330 4.508 1.00 89.75 1 A 1 ATOM 2 C CA . MET A 1 1 ? -5.402 -7.968 3.079 1.00 91.80 1 A 1 ATOM 3 C C . MET A 1 1 ? -4.090 -7.216 2.850 1.00 93.08 1 A 1 ATOM 4 O O . MET A 1 1 ? -4.019 -6.005 3.030 1.00 91.87 1 A 1 ATOM 5 C CB . MET A 1 1 ? -6.572 -7.097 2.662 1.00 86.32 1 A 1 ATOM 6 C CG . MET A 1 1 ? -7.904 -7.735 3.027 1.00 80.24 1 A 1 ATOM 7 S SD . MET A 1 1 ? -8.035 -9.390 2.362 1.00 80.81 1 A 1 ATOM 8 C CE . MET A 1 1 ? -9.460 -9.964 3.246 1.00 72.25 1 A 1 ATOM 9 N N . PHE A 1 2 ? -3.060 -7.944 2.443 1.00 81.75 2 A 1 ATOM 10 C CA . PHE A 1 2 ? -1.746 -7.349 2.206 1.00 85.67 2 A 1 ATOM 11 C C . PHE A 1 2 ? -1.778 -6.370 1.034 1.00 90.02 2 A 1 ATOM 12 O O . PHE A 1 2 ? -1.155 -5.309 1.087 1.00 88.11 2 A 1 ATOM 13 C CB . PHE A 1 2 ? -0.729 -8.455 1.928 1.00 82.01 2 A 1 ATOM 14 C CG . PHE A 1 2 ? -0.523 -9.349 3.124 1.00 77.61 2 A 1 ATOM 15 C CD1 . PHE A 1 2 ? 0.224 -8.900 4.201 1.00 76.52 2 A 1 ATOM 16 C CD2 . PHE A 1 2 ? -1.077 -10.618 3.168 1.00 74.29 2 A 1 ATOM 17 C CE1 . PHE A 1 2 ? 0.415 -9.714 5.311 1.00 74.07 2 A 1 ATOM 18 C CE2 . PHE A 1 2 ? -0.891 -11.434 4.278 1.00 72.05 2 A 1 ATOM 19 C CZ . PHE A 1 2 ? -0.144 -10.981 5.351 1.00 71.12 2 A 1 ATOM 20 N N . LEU A 1 3 ? -2.500 -6.727 -0.013 1.00 88.40 3 A 1 ATOM 21 C CA . LEU A 1 3 ? -2.601 -5.855 -1.190 1.00 89.78 3 A 1 ATOM 22 C C . LEU A 1 3 ? -3.211 -4.508 -0.818 1.00 91.79 3 A 1 ATOM 23 O O . LEU A 1 3 ? -2.779 -3.464 -1.305 1.00 90.02 3 A 1 ATOM 24 C CB . LEU A 1 3 ? -3.458 -6.541 -2.253 1.00 87.60 3 A 1 ATOM 25 C CG . LEU A 1 3 ? -2.753 -7.729 -2.904 1.00 82.67 3 A 1 ATOM 26 C CD1 . LEU A 1 3 ? -3.760 -8.563 -3.678 1.00 80.00 3 A 1 ATOM 27 C CD2 . LEU A 1 3 ? -1.657 -7.242 -3.846 1.00 78.15 3 A 1 ATOM 28 N N . HIS A 1 4 ? -4.210 -4.543 0.053 1.00 91.62 4 A 1 ATOM 29 C CA . HIS A 1 4 ? -4.863 -3.311 0.501 1.00 90.98 4 A 1 ATOM 30 C C . HIS A 1 4 ? -3.945 -2.528 1.434 1.00 92.38 4 A 1 ATOM 31 O O . HIS A 1 4 ? -3.915 -1.298 1.403 1.00 90.99 4 A 1 ATOM 32 C CB . HIS A 1 4 ? -6.169 -3.652 1.220 1.00 89.74 4 A 1 ATOM 33 C CG . HIS A 1 4 ? -7.235 -4.086 0.261 1.00 86.70 4 A 1 ATOM 34 N ND1 . HIS A 1 4 ? -7.112 -5.174 -0.566 1.00 78.83 4 A 1 ATOM 35 C CD2 . HIS A 1 4 ? -8.462 -3.561 -0.004 1.00 79.16 4 A 1 ATOM 36 C CE1 . HIS A 1 4 ? -8.211 -5.288 -1.295 1.00 79.71 4 A 1 ATOM 37 N NE2 . HIS A 1 4 ? -9.052 -4.327 -0.970 1.00 80.16 4 A 1 ATOM 38 N N . LEU A 1 5 ? -3.193 -3.236 2.255 1.00 91.57 5 A 1 ATOM 39 C CA . LEU A 1 5 ? -2.263 -2.602 3.192 1.00 91.33 5 A 1 ATOM 40 C C . LEU A 1 5 ? -1.163 -1.867 2.437 1.00 92.47 5 A 1 ATOM 41 O O . LEU A 1 5 ? -0.722 -0.795 2.850 1.00 90.86 5 A 1 ATOM 42 C CB . LEU A 1 5 ? -1.647 -3.672 4.095 1.00 89.53 5 A 1 ATOM 43 C CG . LEU A 1 5 ? -2.626 -4.185 5.149 1.00 84.73 5 A 1 ATOM 44 C CD1 . LEU A 1 5 ? -2.083 -5.449 5.792 1.00 83.52 5 A 1 ATOM 45 C CD2 . LEU A 1 5 ? -2.852 -3.118 6.215 1.00 82.19 5 A 1 ATOM 46 N N . ILE A 1 6 ? -0.716 -2.449 1.342 1.00 92.18 6 A 1 ATOM 47 C CA . ILE A 1 6 ? 0.332 -1.841 0.524 1.00 91.67 6 A 1 ATOM 48 C C . ILE A 1 6 ? -0.166 -0.526 -0.070 1.00 92.03 6 A 1 ATOM 49 O O . ILE A 1 6 ? 0.601 0.429 -0.222 1.00 91.10 6 A 1 ATOM 50 C CB . ILE A 1 6 ? 0.751 -2.807 -0.596 1.00 91.84 6 A 1 ATOM 51 C CG1 . ILE A 1 6 ? 1.438 -4.040 0.004 1.00 89.88 6 A 1 ATOM 52 C CG2 . ILE A 1 6 ? 1.716 -2.112 -1.564 1.00 89.56 6 A 1 ATOM 53 C CD1 . ILE A 1 6 ? 1.522 -5.193 -0.978 1.00 83.70 6 A 1 ATOM 54 N N . LEU A 1 7 ? -1.438 -0.487 -0.390 1.00 91.95 7 A 1 ATOM 55 C CA . LEU A 1 7 ? -2.040 0.718 -0.965 1.00 91.51 7 A 1 ATOM 56 C C . LEU A 1 7 ? -1.975 1.862 0.049 1.00 92.38 7 A 1 ATOM 57 O O . LEU A 1 7 ? -1.575 2.981 -0.278 1.00 91.43 7 A 1 ATOM 58 C CB . LEU A 1 7 ? -3.498 0.425 -1.356 1.00 90.83 7 A 1 ATOM 59 C CG . LEU A 1 7 ? -4.006 1.274 -2.533 1.00 85.54 7 A 1 ATOM 60 C CD1 . LEU A 1 7 ? -3.919 2.753 -2.224 1.00 84.37 7 A 1 ATOM 61 C CD2 . LEU A 1 7 ? -3.193 0.938 -3.781 1.00 83.55 7 A 1 ATOM 62 N N . LEU A 1 8 ? -2.361 1.564 1.289 1.00 92.67 8 A 1 ATOM 63 C CA . LEU A 1 8 ? -2.344 2.566 2.353 1.00 92.01 8 A 1 ATOM 64 C C . LEU A 1 8 ? -0.912 2.939 2.717 1.00 92.72 8 A 1 ATOM 65 O O . LEU A 1 8 ? -0.596 4.106 2.958 1.00 91.49 8 A 1 ATOM 66 C CB . LEU A 1 8 ? -3.077 2.018 3.585 1.00 90.66 8 A 1 ATOM 67 C CG . LEU A 1 8 ? -4.587 2.268 3.563 1.00 85.04 8 A 1 ATOM 68 C CD1 . LEU A 1 8 ? -4.860 3.764 3.584 1.00 84.76 8 A 1 ATOM 69 C CD2 . LEU A 1 8 ? -5.226 1.647 2.333 1.00 83.55 8 A 1 ATOM 70 N N . ALA A 1 9 ? -0.051 1.936 2.760 1.00 93.04 9 A 1 ATOM 71 C CA . ALA A 1 9 ? 1.355 2.147 3.102 1.00 92.78 9 A 1 ATOM 72 C C . ALA A 1 9 ? 2.116 2.790 1.950 1.00 93.76 9 A 1 ATOM 73 O O . ALA A 1 9 ? 3.222 3.294 2.135 1.00 91.54 9 A 1 ATOM 74 C CB . ALA A 1 9 ? 1.995 0.810 3.464 1.00 91.75 9 A 1 ATOM 75 N N . GLY A 1 10 ? 1.545 2.756 0.769 1.00 94.28 10 A 1 ATOM 76 C CA . GLY A 1 10 ? 2.189 3.343 -0.403 1.00 94.08 10 A 1 ATOM 77 C C . GLY A 1 10 ? 2.132 4.859 -0.386 1.00 95.14 10 A 1 ATOM 78 O O . GLY A 1 10 ? 3.001 5.536 -0.933 1.00 93.58 10 A 1 ATOM 79 N N . LEU A 1 11 ? 1.115 5.405 0.254 1.00 93.09 11 A 1 ATOM 80 C CA . LEU A 1 11 ? 0.944 6.855 0.330 1.00 92.88 11 A 1 ATOM 81 C C . LEU A 1 11 ? 1.728 7.445 1.494 1.00 93.82 11 A 1 ATOM 82 O O . LEU A 1 11 ? 2.187 8.583 1.421 1.00 91.66 11 A 1 ATOM 83 C CB . LEU A 1 11 ? -0.541 7.178 0.495 1.00 91.06 11 A 1 ATOM 84 C CG . LEU A 1 11 ? -1.347 6.865 -0.764 1.00 86.90 11 A 1 ATOM 85 C CD1 . LEU A 1 11 ? -2.826 6.801 -0.440 1.00 84.86 11 A 1 ATOM 86 C CD2 . LEU A 1 11 ? -1.085 7.921 -1.829 1.00 83.65 11 A 1 ATOM 87 N N . ALA A 1 12 ? 1.879 6.676 2.562 1.00 91.29 12 A 1 ATOM 88 C CA . ALA A 1 12 ? 2.610 7.128 3.745 1.00 91.01 12 A 1 ATOM 89 C C . ALA A 1 12 ? 4.041 7.552 3.406 1.00 92.60 12 A 1 ATOM 90 O O . ALA A 1 12 ? 4.455 8.657 3.755 1.00 90.56 12 A 1 ATOM 91 C CB . ALA A 1 12 ? 2.607 6.030 4.803 1.00 89.10 12 A 1 ATOM 92 N N . PRO A 1 13 ? 4.817 6.692 2.733 1.00 92.92 13 A 1 ATOM 93 C CA . PRO A 1 13 ? 6.205 7.029 2.388 1.00 92.42 13 A 1 ATOM 94 C C . PRO A 1 13 ? 6.286 8.203 1.424 1.00 94.02 13 A 1 ATOM 95 O O . PRO A 1 13 ? 7.242 8.975 1.465 1.00 91.72 13 A 1 ATOM 96 C CB . PRO A 1 13 ? 6.737 5.748 1.739 1.00 90.13 13 A 1 ATOM 97 C CG . PRO A 1 13 ? 5.511 5.042 1.261 1.00 88.35 13 A 1 ATOM 98 C CD . PRO A 1 13 ? 4.449 5.371 2.280 1.00 92.59 13 A 1 ATOM 99 N N . VAL A 1 14 ? 5.310 8.347 0.566 1.00 93.25 14 A 1 ATOM 100 C CA . VAL A 1 14 ? 5.284 9.442 -0.403 1.00 93.84 14 A 1 ATOM 101 C C . VAL A 1 14 ? 5.118 10.781 0.309 1.00 94.70 14 A 1 ATOM 102 O O . VAL A 1 14 ? 5.719 11.780 -0.084 1.00 92.76 14 A 1 ATOM 103 C CB . VAL A 1 14 ? 4.137 9.247 -1.402 1.00 92.38 14 A 1 ATOM 104 C CG1 . VAL A 1 14 ? 4.056 10.435 -2.350 1.00 88.65 14 A 1 ATOM 105 C CG2 . VAL A 1 14 ? 4.359 7.969 -2.191 1.00 89.13 14 A 1 ATOM 106 N N . VAL A 1 15 ? 4.316 10.801 1.353 1.00 92.98 15 A 1 ATOM 107 C CA . VAL A 1 15 ? 4.077 12.024 2.118 1.00 92.54 15 A 1 ATOM 108 C C . VAL A 1 15 ? 5.339 12.457 2.859 1.00 93.58 15 A 1 ATOM 109 O O . VAL A 1 15 ? 5.601 13.651 3.006 1.00 92.07 15 A 1 ATOM 110 C CB . VAL A 1 15 ? 2.938 11.814 3.123 1.00 90.57 15 A 1 ATOM 111 C CG1 . VAL A 1 15 ? 2.750 13.059 3.977 1.00 85.85 15 A 1 ATOM 112 C CG2 . VAL A 1 15 ? 1.654 11.497 2.378 1.00 86.13 15 A 1 ATOM 113 N N . TYR A 1 16 ? 6.105 11.482 3.318 1.00 93.43 16 A 1 ATOM 114 C CA . TYR A 1 16 ? 7.333 11.781 4.056 1.00 92.68 16 A 1 ATOM 115 C C . TYR A 1 16 ? 8.368 12.434 3.147 1.00 92.65 16 A 1 ATOM 116 O O . TYR A 1 16 ? 9.111 13.316 3.578 1.00 89.70 16 A 1 ATOM 117 C CB . TYR A 1 16 ? 7.910 10.493 4.642 1.00 91.37 16 A 1 ATOM 118 C CG . TYR A 1 16 ? 7.173 10.072 5.893 1.00 88.33 16 A 1 ATOM 119 C CD1 . TYR A 1 16 ? 5.909 9.510 5.818 1.00 86.78 16 A 1 ATOM 120 C CD2 . TYR A 1 16 ? 7.751 10.248 7.148 1.00 86.33 16 A 1 ATOM 121 C CE1 . TYR A 1 16 ? 5.227 9.134 6.968 1.00 86.45 16 A 1 ATOM 122 C CE2 . TYR A 1 16 ? 7.077 9.869 8.304 1.00 85.48 16 A 1 ATOM 123 C CZ . TYR A 1 16 ? 5.815 9.311 8.207 1.00 85.88 16 A 1 ATOM 124 O OH . TYR A 1 16 ? 5.148 8.937 9.344 1.00 84.54 16 A 1 ATOM 125 N N . LEU A 1 17 ? 8.409 11.994 1.902 1.00 91.31 17 A 1 ATOM 126 C CA . LEU A 1 17 ? 9.356 12.525 0.922 1.00 88.91 17 A 1 ATOM 127 C C . LEU A 1 17 ? 8.782 13.755 0.235 1.00 86.67 17 A 1 ATOM 128 O O . LEU A 1 17 ? 9.556 14.677 -0.068 1.00 81.65 17 A 1 ATOM 129 C CB . LEU A 1 17 ? 9.684 11.439 -0.111 1.00 84.94 17 A 1 ATOM 130 C CG . LEU A 1 17 ? 10.445 10.248 0.474 1.00 84.22 17 A 1 ATOM 131 C CD1 . LEU A 1 17 ? 10.465 9.092 -0.517 1.00 82.35 17 A 1 ATOM 132 C CD2 . LEU A 1 17 ? 11.870 10.670 0.798 1.00 78.04 17 A 1 ATOM 133 O OXT . LEU A 1 17 ? 7.565 13.784 -0.010 1.00 79.28 17 A 1 #