# 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_spkb22857 # _entry.id spkb22857 # 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 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" "C6 H15 N2 O2" 147.195 LYS y LYSINE C(CC[NH3+])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" "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" "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" # _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 ALA 4 1 n LYS 5 1 n TRP 6 1 n LEU 7 1 n ILE 8 1 n ALA 9 1 n SER 10 1 n LEU 11 1 n ALA 12 1 n PHE 13 1 n ALA 14 1 n SER 15 1 n THR 16 1 n GLY 17 1 n LEU 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 @ 2025-07-10 01:40:26)" _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 91.79 _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 76.07 1 1 A ALA 2 2 89.15 1 2 A PRO 3 2 93.17 1 3 A ALA 4 2 95.65 1 4 A LYS 5 2 90.76 1 5 A TRP 6 2 92.43 1 6 A LEU 7 2 94.39 1 7 A ILE 8 2 95.20 1 8 A ALA 9 2 96.84 1 9 A SER 10 2 95.52 1 10 A LEU 11 2 94.81 1 11 A ALA 12 2 96.90 1 12 A PHE 13 2 93.29 1 13 A ALA 14 2 96.39 1 14 A SER 15 2 94.64 1 15 A THR 16 2 93.67 1 16 A GLY 17 2 94.18 1 17 A LEU 18 2 84.56 1 18 A ALA 19 2 82.26 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 ALA . 2 A 2 A 3 1 n PRO . 3 A 3 A 4 1 n ALA . 4 A 4 A 5 1 n LYS . 5 A 5 A 6 1 n TRP . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n ILE . 8 A 8 A 9 1 n ALA . 9 A 9 A 10 1 n SER . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n ALA . 12 A 12 A 13 1 n PHE . 13 A 13 A 14 1 n ALA . 14 A 14 A 15 1 n SER . 15 A 15 A 16 1 n THR . 16 A 16 A 17 1 n GLY . 17 A 17 A 18 1 n LEU . 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 ? -12.824 11.618 5.898 1.00 82.34 1 A 1 ATOM 2 C CA . MET A 1 1 ? -11.515 11.297 5.294 1.00 83.40 1 A 1 ATOM 3 C C . MET A 1 1 ? -11.415 9.800 5.014 1.00 82.99 1 A 1 ATOM 4 O O . MET A 1 1 ? -11.593 8.994 5.930 1.00 77.80 1 A 1 ATOM 5 C CB . MET A 1 1 ? -10.375 11.711 6.226 1.00 77.57 1 A 1 ATOM 6 C CG . MET A 1 1 ? -10.316 13.215 6.450 1.00 73.49 1 A 1 ATOM 7 S SD . MET A 1 1 ? -9.001 13.682 7.592 1.00 69.97 1 A 1 ATOM 8 C CE . MET A 1 1 ? -9.205 15.456 7.608 1.00 61.01 1 A 1 ATOM 9 N N . ALA A 1 2 ? -11.148 9.432 3.755 1.00 84.95 2 A 1 ATOM 10 C CA . ALA A 1 2 ? -11.019 8.028 3.363 1.00 90.20 2 A 1 ATOM 11 C C . ALA A 1 2 ? -9.713 7.813 2.586 1.00 93.03 2 A 1 ATOM 12 O O . ALA A 1 2 ? -9.702 7.900 1.356 1.00 91.74 2 A 1 ATOM 13 C CB . ALA A 1 2 ? -12.220 7.615 2.518 1.00 85.84 2 A 1 ATOM 14 N N . PRO A 1 3 ? -8.610 7.535 3.286 1.00 93.94 3 A 1 ATOM 15 C CA . PRO A 1 3 ? -7.298 7.340 2.661 1.00 95.00 3 A 1 ATOM 16 C C . PRO A 1 3 ? -7.165 5.969 1.996 1.00 96.22 3 A 1 ATOM 17 O O . PRO A 1 3 ? -6.501 5.070 2.524 1.00 94.64 3 A 1 ATOM 18 C CB . PRO A 1 3 ? -6.321 7.483 3.830 1.00 92.08 3 A 1 ATOM 19 C CG . PRO A 1 3 ? -7.089 7.036 5.031 1.00 88.87 3 A 1 ATOM 20 C CD . PRO A 1 3 ? -8.540 7.392 4.754 1.00 91.43 3 A 1 ATOM 21 N N . ALA A 1 4 ? -7.804 5.798 0.835 1.00 94.95 4 A 1 ATOM 22 C CA . ALA A 1 4 ? -7.749 4.536 0.098 1.00 96.06 4 A 1 ATOM 23 C C . ALA A 1 4 ? -6.324 4.232 -0.358 1.00 96.70 4 A 1 ATOM 24 O O . ALA A 1 4 ? -5.891 3.078 -0.353 1.00 95.50 4 A 1 ATOM 25 C CB . ALA A 1 4 ? -8.696 4.592 -1.097 1.00 95.02 4 A 1 ATOM 26 N N . LYS A 1 5 ? -5.583 5.280 -0.746 1.00 96.02 5 A 1 ATOM 27 C CA . LYS A 1 5 ? -4.195 5.131 -1.191 1.00 96.10 5 A 1 ATOM 28 C C . LYS A 1 5 ? -3.317 4.590 -0.066 1.00 96.40 5 A 1 ATOM 29 O O . LYS A 1 5 ? -2.427 3.776 -0.302 1.00 96.39 5 A 1 ATOM 30 C CB . LYS A 1 5 ? -3.659 6.473 -1.683 1.00 95.42 5 A 1 ATOM 31 C CG . LYS A 1 5 ? -4.306 6.920 -2.984 1.00 90.57 5 A 1 ATOM 32 C CD . LYS A 1 5 ? -3.660 8.188 -3.533 1.00 87.02 5 A 1 ATOM 33 C CE . LYS A 1 5 ? -4.094 9.415 -2.749 1.00 82.64 5 A 1 ATOM 34 N NZ . LYS A 1 5 ? -3.591 10.666 -3.392 1.00 76.24 5 A 1 ATOM 35 N N . TRP A 1 6 ? -3.583 5.037 1.172 1.00 96.24 6 A 1 ATOM 36 C CA . TRP A 1 6 ? -2.824 4.581 2.333 1.00 96.24 6 A 1 ATOM 37 C C . TRP A 1 6 ? -3.087 3.102 2.593 1.00 96.58 6 A 1 ATOM 38 O O . TRP A 1 6 ? -2.170 2.345 2.912 1.00 95.85 6 A 1 ATOM 39 C CB . TRP A 1 6 ? -3.189 5.417 3.564 1.00 95.99 6 A 1 ATOM 40 C CG . TRP A 1 6 ? -1.986 5.996 4.245 1.00 94.22 6 A 1 ATOM 41 C CD1 . TRP A 1 6 ? -1.396 7.188 3.972 1.00 90.68 6 A 1 ATOM 42 C CD2 . TRP A 1 6 ? -1.212 5.401 5.311 1.00 93.19 6 A 1 ATOM 43 N NE1 . TRP A 1 6 ? -0.306 7.372 4.792 1.00 89.76 6 A 1 ATOM 44 C CE2 . TRP A 1 6 ? -0.169 6.294 5.626 1.00 92.53 6 A 1 ATOM 45 C CE3 . TRP A 1 6 ? -1.315 4.208 6.023 1.00 89.99 6 A 1 ATOM 46 C CZ2 . TRP A 1 6 ? 0.766 6.014 6.628 1.00 90.64 6 A 1 ATOM 47 C CZ3 . TRP A 1 6 ? -0.384 3.936 7.025 1.00 85.91 6 A 1 ATOM 48 C CH2 . TRP A 1 6 ? 0.640 4.835 7.311 1.00 86.16 6 A 1 ATOM 49 N N . LEU A 1 7 ? -4.354 2.679 2.424 1.00 96.38 7 A 1 ATOM 50 C CA . LEU A 1 7 ? -4.730 1.279 2.605 1.00 96.25 7 A 1 ATOM 51 C C . LEU A 1 7 ? -4.035 0.398 1.569 1.00 96.72 7 A 1 ATOM 52 O O . LEU A 1 7 ? -3.528 -0.678 1.893 1.00 96.75 7 A 1 ATOM 53 C CB . LEU A 1 7 ? -6.250 1.127 2.488 1.00 96.40 7 A 1 ATOM 54 C CG . LEU A 1 7 ? -7.043 1.767 3.629 1.00 93.05 7 A 1 ATOM 55 C CD1 . LEU A 1 7 ? -8.531 1.772 3.312 1.00 89.40 7 A 1 ATOM 56 C CD2 . LEU A 1 7 ? -6.788 1.029 4.936 1.00 90.20 7 A 1 ATOM 57 N N . ILE A 1 8 ? -4.006 0.859 0.323 1.00 96.68 8 A 1 ATOM 58 C CA . ILE A 1 8 ? -3.350 0.130 -0.764 1.00 96.33 8 A 1 ATOM 59 C C . ILE A 1 8 ? -1.848 0.033 -0.500 1.00 96.35 8 A 1 ATOM 60 O O . ILE A 1 8 ? -1.230 -1.013 -0.728 1.00 96.12 8 A 1 ATOM 61 C CB . ILE A 1 8 ? -3.618 0.816 -2.117 1.00 96.39 8 A 1 ATOM 62 C CG1 . ILE A 1 8 ? -5.118 0.781 -2.452 1.00 94.99 8 A 1 ATOM 63 C CG2 . ILE A 1 8 ? -2.824 0.123 -3.231 1.00 94.07 8 A 1 ATOM 64 C CD1 . ILE A 1 8 ? -5.495 1.678 -3.615 1.00 90.68 8 A 1 ATOM 65 N N . ALA A 1 9 ? -1.258 1.119 -0.012 1.00 97.21 9 A 1 ATOM 66 C CA . ALA A 1 9 ? 0.167 1.147 0.305 1.00 96.92 9 A 1 ATOM 67 C C . ALA A 1 9 ? 0.501 0.144 1.404 1.00 97.04 9 A 1 ATOM 68 O O . ALA A 1 9 ? 1.507 -0.565 1.326 1.00 96.38 9 A 1 ATOM 69 C CB . ALA A 1 9 ? 0.574 2.552 0.733 1.00 96.67 9 A 1 ATOM 70 N N . SER A 1 10 ? -0.358 0.073 2.425 1.00 96.74 10 A 1 ATOM 71 C CA . SER A 1 10 ? -0.172 -0.865 3.528 1.00 96.45 10 A 1 ATOM 72 C C . SER A 1 10 ? -0.278 -2.304 3.035 1.00 96.79 10 A 1 ATOM 73 O O . SER A 1 10 ? 0.500 -3.171 3.437 1.00 96.11 10 A 1 ATOM 74 C CB . SER A 1 10 ? -1.211 -0.612 4.617 1.00 95.82 10 A 1 ATOM 75 O OG . SER A 1 10 ? -1.049 0.684 5.165 1.00 91.23 10 A 1 ATOM 76 N N . LEU A 1 11 ? -1.243 -2.554 2.144 1.00 96.70 11 A 1 ATOM 77 C CA . LEU A 1 11 ? -1.443 -3.883 1.574 1.00 96.37 11 A 1 ATOM 78 C C . LEU A 1 11 ? -0.237 -4.297 0.739 1.00 96.87 11 A 1 ATOM 79 O O . LEU A 1 11 ? 0.219 -5.441 0.819 1.00 96.53 11 A 1 ATOM 80 C CB . LEU A 1 11 ? -2.706 -3.895 0.709 1.00 96.10 11 A 1 ATOM 81 C CG . LEU A 1 11 ? -3.146 -5.291 0.265 1.00 93.22 11 A 1 ATOM 82 C CD1 . LEU A 1 11 ? -3.698 -6.078 1.439 1.00 90.53 11 A 1 ATOM 83 C CD2 . LEU A 1 11 ? -4.188 -5.191 -0.840 1.00 92.13 11 A 1 ATOM 84 N N . ALA A 1 12 ? 0.286 -3.369 -0.063 1.00 97.03 12 A 1 ATOM 85 C CA . ALA A 1 12 ? 1.459 -3.629 -0.893 1.00 96.94 12 A 1 ATOM 86 C C . ALA A 1 12 ? 2.684 -3.905 -0.029 1.00 97.25 12 A 1 ATOM 87 O O . ALA A 1 12 ? 3.485 -4.792 -0.333 1.00 96.66 12 A 1 ATOM 88 C CB . ALA A 1 12 ? 1.717 -2.437 -1.812 1.00 96.60 12 A 1 ATOM 89 N N . PHE A 1 13 ? 2.810 -3.162 1.063 1.00 95.91 13 A 1 ATOM 90 C CA . PHE A 1 13 ? 3.908 -3.338 2.008 1.00 95.56 13 A 1 ATOM 91 C C . PHE A 1 13 ? 3.881 -4.741 2.611 1.00 96.56 13 A 1 ATOM 92 O O . PHE A 1 13 ? 4.915 -5.405 2.716 1.00 96.01 13 A 1 ATOM 93 C CB . PHE A 1 13 ? 3.804 -2.282 3.111 1.00 94.88 13 A 1 ATOM 94 C CG . PHE A 1 13 ? 4.866 -2.411 4.174 1.00 93.53 13 A 1 ATOM 95 C CD1 . PHE A 1 13 ? 6.149 -1.933 3.949 1.00 91.58 13 A 1 ATOM 96 C CD2 . PHE A 1 13 ? 4.572 -2.994 5.394 1.00 91.72 13 A 1 ATOM 97 C CE1 . PHE A 1 13 ? 7.130 -2.046 4.925 1.00 90.10 13 A 1 ATOM 98 C CE2 . PHE A 1 13 ? 5.551 -3.111 6.377 1.00 90.29 13 A 1 ATOM 99 C CZ . PHE A 1 13 ? 6.830 -2.637 6.139 1.00 90.06 13 A 1 ATOM 100 N N . ALA A 1 14 ? 2.691 -5.194 3.000 1.00 96.64 14 A 1 ATOM 101 C CA . ALA A 1 14 ? 2.527 -6.530 3.573 1.00 96.45 14 A 1 ATOM 102 C C . ALA A 1 14 ? 2.692 -7.612 2.508 1.00 97.17 14 A 1 ATOM 103 O O . ALA A 1 14 ? 3.217 -8.690 2.787 1.00 96.30 14 A 1 ATOM 104 C CB . ALA A 1 14 ? 1.159 -6.643 4.239 1.00 95.38 14 A 1 ATOM 105 N N . SER A 1 15 ? 2.232 -7.326 1.279 1.00 96.74 15 A 1 ATOM 106 C CA . SER A 1 15 ? 2.307 -8.271 0.167 1.00 96.63 15 A 1 ATOM 107 C C . SER A 1 15 ? 3.754 -8.579 -0.198 1.00 96.80 15 A 1 ATOM 108 O O . SER A 1 15 ? 4.113 -9.739 -0.405 1.00 95.27 15 A 1 ATOM 109 C CB . SER A 1 15 ? 1.575 -7.717 -1.053 1.00 95.37 15 A 1 ATOM 110 O OG . SER A 1 15 ? 1.536 -8.675 -2.083 1.00 87.02 15 A 1 ATOM 111 N N . THR A 1 16 ? 4.592 -7.547 -0.274 1.00 96.64 16 A 1 ATOM 112 C CA . THR A 1 16 ? 6.002 -7.732 -0.620 1.00 96.16 16 A 1 ATOM 113 C C . THR A 1 16 ? 6.823 -8.191 0.581 1.00 96.39 16 A 1 ATOM 114 O O . THR A 1 16 ? 7.929 -8.709 0.424 1.00 93.89 16 A 1 ATOM 115 C CB . THR A 1 16 ? 6.594 -6.434 -1.197 1.00 94.35 16 A 1 ATOM 116 O OG1 . THR A 1 16 ? 7.892 -6.696 -1.728 1.00 89.73 16 A 1 ATOM 117 C CG2 . THR A 1 16 ? 6.703 -5.352 -0.142 1.00 88.56 16 A 1 ATOM 118 N N . GLY A 1 17 ? 6.261 -8.031 1.770 1.00 94.91 17 A 1 ATOM 119 C CA . GLY A 1 17 ? 6.941 -8.443 2.995 1.00 93.89 17 A 1 ATOM 120 C C . GLY A 1 17 ? 8.217 -7.661 3.251 1.00 94.73 17 A 1 ATOM 121 O O . GLY A 1 17 ? 9.123 -8.153 3.923 1.00 93.18 17 A 1 ATOM 122 N N . LEU A 1 18 ? 8.277 -6.443 2.704 1.00 89.70 18 A 1 ATOM 123 C CA . LEU A 1 18 ? 9.463 -5.586 2.837 1.00 89.41 18 A 1 ATOM 124 C C . LEU A 1 18 ? 10.717 -6.336 2.385 1.00 91.15 18 A 1 ATOM 125 O O . LEU A 1 18 ? 11.680 -6.509 3.139 1.00 88.47 18 A 1 ATOM 126 C CB . LEU A 1 18 ? 9.587 -5.103 4.290 1.00 85.92 18 A 1 ATOM 127 C CG . LEU A 1 18 ? 10.354 -3.793 4.508 1.00 81.72 18 A 1 ATOM 128 C CD1 . LEU A 1 18 ? 11.842 -4.000 4.493 1.00 76.77 18 A 1 ATOM 129 C CD2 . LEU A 1 18 ? 9.928 -2.765 3.470 1.00 73.36 18 A 1 ATOM 130 N N . ALA A 1 19 ? 10.676 -6.808 1.098 1.00 88.45 19 A 1 ATOM 131 C CA . ALA A 1 19 ? 11.784 -7.573 0.538 1.00 87.25 19 A 1 ATOM 132 C C . ALA A 1 19 ? 12.293 -6.903 -0.735 1.00 85.05 19 A 1 ATOM 133 O O . ALA A 1 19 ? 11.499 -6.710 -1.664 1.00 78.97 19 A 1 ATOM 134 C CB . ALA A 1 19 ? 11.359 -9.005 0.261 1.00 80.53 19 A 1 ATOM 135 O OXT . ALA A 1 19 ? 13.494 -6.572 -0.825 1.00 73.30 19 A 1 #