# 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_spkb37237 # _entry.id spkb37237 # 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" "C5 H10 N2 O3" 146.144 GLN y GLUTAMINE C(CC(=O)N)[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" "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 GLN 2 1 n PHE 3 1 n THR 4 1 n LYS 5 1 n TRP 6 1 n PHE 7 1 n ILE 8 1 n ALA 9 1 n LEU 10 1 n PRO 11 1 n LEU 12 1 n ALA 13 1 n VAL 14 1 n THR 15 1 n ALA 16 1 n LEU 17 1 n SER 18 1 n GLY 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 @ 2025-07-05 20:01:32)" _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 93.71 _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 84.22 1 1 A GLN 2 2 87.10 1 2 A PHE 3 2 91.71 1 3 A THR 4 2 95.22 1 4 A LYS 5 2 91.52 1 5 A TRP 6 2 92.90 1 6 A PHE 7 2 93.93 1 7 A ILE 8 2 95.30 1 8 A ALA 9 2 97.68 1 9 A LEU 10 2 94.77 1 10 A PRO 11 2 97.50 1 11 A LEU 12 2 95.79 1 12 A ALA 13 2 97.70 1 13 A VAL 14 2 97.70 1 14 A THR 15 2 96.75 1 15 A ALA 16 2 98.03 1 16 A LEU 17 2 95.28 1 17 A SER 18 2 95.52 1 18 A GLY 19 2 89.05 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 GLN . 2 A 2 A 3 1 n PHE . 3 A 3 A 4 1 n THR . 4 A 4 A 5 1 n LYS . 5 A 5 A 6 1 n TRP . 6 A 6 A 7 1 n PHE . 7 A 7 A 8 1 n ILE . 8 A 8 A 9 1 n ALA . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n PRO . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n ALA . 13 A 13 A 14 1 n VAL . 14 A 14 A 15 1 n THR . 15 A 15 A 16 1 n ALA . 16 A 16 A 17 1 n LEU . 17 A 17 A 18 1 n SER . 18 A 18 A 19 1 n GLY . 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 ? -11.956 -0.111 7.704 1.00 91.53 1 A 1 ATOM 2 C CA . MET A 1 1 ? -10.777 -0.401 6.860 1.00 92.11 1 A 1 ATOM 3 C C . MET A 1 1 ? -11.233 -0.691 5.428 1.00 92.54 1 A 1 ATOM 4 O O . MET A 1 1 ? -11.571 -1.825 5.090 1.00 89.55 1 A 1 ATOM 5 C CB . MET A 1 1 ? -10.005 -1.599 7.408 1.00 86.80 1 A 1 ATOM 6 C CG . MET A 1 1 ? -9.613 -1.409 8.874 1.00 81.26 1 A 1 ATOM 7 S SD . MET A 1 1 ? -11.038 -1.532 9.964 1.00 74.54 1 A 1 ATOM 8 C CE . MET A 1 1 ? -10.261 -1.240 11.546 1.00 65.39 1 A 1 ATOM 9 N N . GLN A 1 2 ? -11.248 0.315 4.606 1.00 94.03 2 A 1 ATOM 10 C CA . GLN A 1 2 ? -11.689 0.176 3.224 1.00 94.73 2 A 1 ATOM 11 C C . GLN A 1 2 ? -10.680 -0.613 2.388 1.00 95.36 2 A 1 ATOM 12 O O . GLN A 1 2 ? -9.483 -0.607 2.662 1.00 93.37 2 A 1 ATOM 13 C CB . GLN A 1 2 ? -11.907 1.561 2.617 1.00 92.47 2 A 1 ATOM 14 C CG . GLN A 1 2 ? -10.675 2.463 2.687 1.00 84.86 2 A 1 ATOM 15 C CD . GLN A 1 2 ? -10.664 3.343 3.926 1.00 81.71 2 A 1 ATOM 16 O OE1 . GLN A 1 2 ? -11.068 2.937 5.003 1.00 75.07 2 A 1 ATOM 17 N NE2 . GLN A 1 2 ? -10.193 4.569 3.790 1.00 72.29 2 A 1 ATOM 18 N N . PHE A 1 3 ? -11.177 -1.280 1.357 1.00 94.16 3 A 1 ATOM 19 C CA . PHE A 1 3 ? -10.342 -2.091 0.468 1.00 95.04 3 A 1 ATOM 20 C C . PHE A 1 3 ? -9.425 -1.203 -0.371 1.00 96.22 3 A 1 ATOM 21 O O . PHE A 1 3 ? -8.271 -1.550 -0.627 1.00 95.52 3 A 1 ATOM 22 C CB . PHE A 1 3 ? -11.243 -2.928 -0.440 1.00 94.07 3 A 1 ATOM 23 C CG . PHE A 1 3 ? -10.537 -4.139 -0.989 1.00 91.98 3 A 1 ATOM 24 C CD1 . PHE A 1 3 ? -9.790 -4.051 -2.154 1.00 88.38 3 A 1 ATOM 25 C CD2 . PHE A 1 3 ? -10.629 -5.361 -0.339 1.00 89.10 3 A 1 ATOM 26 C CE1 . PHE A 1 3 ? -9.132 -5.168 -2.663 1.00 88.02 3 A 1 ATOM 27 C CE2 . PHE A 1 3 ? -9.977 -6.481 -0.845 1.00 88.64 3 A 1 ATOM 28 C CZ . PHE A 1 3 ? -9.228 -6.384 -2.009 1.00 87.64 3 A 1 ATOM 29 N N . THR A 1 4 ? -9.933 -0.060 -0.787 1.00 96.71 4 A 1 ATOM 30 C CA . THR A 1 4 ? -9.166 0.888 -1.601 1.00 97.05 4 A 1 ATOM 31 C C . THR A 1 4 ? -7.943 1.392 -0.845 1.00 97.31 4 A 1 ATOM 32 O O . THR A 1 4 ? -6.874 1.571 -1.425 1.00 96.87 4 A 1 ATOM 33 C CB . THR A 1 4 ? -10.050 2.078 -1.997 1.00 96.63 4 A 1 ATOM 34 O OG1 . THR A 1 4 ? -11.245 1.606 -2.606 1.00 92.14 4 A 1 ATOM 35 C CG2 . THR A 1 4 ? -9.325 2.984 -2.980 1.00 89.82 4 A 1 ATOM 36 N N . LYS A 1 5 ? -8.104 1.635 0.432 1.00 96.80 5 A 1 ATOM 37 C CA . LYS A 1 5 ? -7.013 2.134 1.267 1.00 97.02 5 A 1 ATOM 38 C C . LYS A 1 5 ? -5.849 1.141 1.269 1.00 97.27 5 A 1 ATOM 39 O O . LYS A 1 5 ? -4.684 1.538 1.212 1.00 97.28 5 A 1 ATOM 40 C CB . LYS A 1 5 ? -7.524 2.369 2.689 1.00 96.62 5 A 1 ATOM 41 C CG . LYS A 1 5 ? -6.748 3.466 3.414 1.00 91.71 5 A 1 ATOM 42 C CD . LYS A 1 5 ? -5.401 2.973 3.910 1.00 88.74 5 A 1 ATOM 43 C CE . LYS A 1 5 ? -4.540 4.117 4.413 1.00 82.86 5 A 1 ATOM 44 N NZ . LYS A 1 5 ? -3.174 3.649 4.759 1.00 75.38 5 A 1 ATOM 45 N N . TRP A 1 6 ? -6.161 -0.151 1.323 1.00 96.05 6 A 1 ATOM 46 C CA . TRP A 1 6 ? -5.138 -1.195 1.335 1.00 96.17 6 A 1 ATOM 47 C C . TRP A 1 6 ? -4.369 -1.215 0.019 1.00 96.88 6 A 1 ATOM 48 O O . TRP A 1 6 ? -3.153 -1.371 0.004 1.00 96.34 6 A 1 ATOM 49 C CB . TRP A 1 6 ? -5.797 -2.556 1.583 1.00 95.90 6 A 1 ATOM 50 C CG . TRP A 1 6 ? -5.017 -3.397 2.534 1.00 94.48 6 A 1 ATOM 51 C CD1 . TRP A 1 6 ? -5.344 -3.683 3.824 1.00 91.06 6 A 1 ATOM 52 C CD2 . TRP A 1 6 ? -3.769 -4.077 2.286 1.00 93.56 6 A 1 ATOM 53 N NE1 . TRP A 1 6 ? -4.382 -4.491 4.384 1.00 90.34 6 A 1 ATOM 54 C CE2 . TRP A 1 6 ? -3.398 -4.748 3.469 1.00 93.35 6 A 1 ATOM 55 C CE3 . TRP A 1 6 ? -2.931 -4.181 1.179 1.00 90.53 6 A 1 ATOM 56 C CZ2 . TRP A 1 6 ? -2.227 -5.507 3.553 1.00 90.62 6 A 1 ATOM 57 C CZ3 . TRP A 1 6 ? -1.762 -4.941 1.266 1.00 87.37 6 A 1 ATOM 58 C CH2 . TRP A 1 6 ? -1.423 -5.590 2.441 1.00 87.88 6 A 1 ATOM 59 N N . PHE A 1 7 ? -5.077 -1.027 -1.081 1.00 96.34 7 A 1 ATOM 60 C CA . PHE A 1 7 ? -4.460 -1.023 -2.409 1.00 96.41 7 A 1 ATOM 61 C C . PHE A 1 7 ? -3.551 0.186 -2.606 1.00 97.07 7 A 1 ATOM 62 O O . PHE A 1 7 ? -2.612 0.136 -3.397 1.00 96.79 7 A 1 ATOM 63 C CB . PHE A 1 7 ? -5.545 -1.039 -3.482 1.00 95.99 7 A 1 ATOM 64 C CG . PHE A 1 7 ? -5.726 -2.402 -4.099 1.00 94.20 7 A 1 ATOM 65 C CD1 . PHE A 1 7 ? -6.376 -3.414 -3.409 1.00 90.88 7 A 1 ATOM 66 C CD2 . PHE A 1 7 ? -5.234 -2.657 -5.372 1.00 91.79 7 A 1 ATOM 67 C CE1 . PHE A 1 7 ? -6.532 -4.672 -3.979 1.00 90.77 7 A 1 ATOM 68 C CE2 . PHE A 1 7 ? -5.390 -3.910 -5.947 1.00 91.37 7 A 1 ATOM 69 C CZ . PHE A 1 7 ? -6.042 -4.922 -5.251 1.00 91.66 7 A 1 ATOM 70 N N . ILE A 1 8 ? -3.821 1.259 -1.910 1.00 97.00 8 A 1 ATOM 71 C CA . ILE A 1 8 ? -3.018 2.478 -2.017 1.00 96.74 8 A 1 ATOM 72 C C . ILE A 1 8 ? -1.774 2.385 -1.134 1.00 97.13 8 A 1 ATOM 73 O O . ILE A 1 8 ? -0.723 2.936 -1.463 1.00 97.03 8 A 1 ATOM 74 C CB . ILE A 1 8 ? -3.858 3.708 -1.623 1.00 96.43 8 A 1 ATOM 75 C CG1 . ILE A 1 8 ? -5.022 3.898 -2.598 1.00 94.45 8 A 1 ATOM 76 C CG2 . ILE A 1 8 ? -2.988 4.967 -1.612 1.00 94.11 8 A 1 ATOM 77 C CD1 . ILE A 1 8 ? -6.076 4.863 -2.091 1.00 89.49 8 A 1 ATOM 78 N N . ALA A 1 9 ? -1.900 1.701 -0.011 1.00 97.73 9 A 1 ATOM 79 C CA . ALA A 1 9 ? -0.790 1.561 0.929 1.00 97.76 9 A 1 ATOM 80 C C . ALA A 1 9 ? 0.326 0.684 0.359 1.00 97.92 9 A 1 ATOM 81 O O . ALA A 1 9 ? 1.507 0.960 0.576 1.00 97.57 9 A 1 ATOM 82 C CB . ALA A 1 9 ? -1.299 0.973 2.240 1.00 97.43 9 A 1 ATOM 83 N N . LEU A 1 10 ? -0.052 -0.362 -0.361 1.00 97.31 10 A 1 ATOM 84 C CA . LEU A 1 10 ? 0.925 -1.280 -0.953 1.00 97.19 10 A 1 ATOM 85 C C . LEU A 1 10 ? 1.860 -0.579 -1.943 1.00 97.59 10 A 1 ATOM 86 O O . LEU A 1 10 ? 3.084 -0.600 -1.762 1.00 97.44 10 A 1 ATOM 87 C CB . LEU A 1 10 ? 0.201 -2.447 -1.636 1.00 96.59 10 A 1 ATOM 88 C CG . LEU A 1 10 ? 0.312 -3.774 -0.892 1.00 92.74 10 A 1 ATOM 89 C CD1 . LEU A 1 10 ? -0.660 -4.787 -1.484 1.00 89.34 10 A 1 ATOM 90 C CD2 . LEU A 1 10 ? 1.736 -4.301 -0.963 1.00 89.94 10 A 1 ATOM 91 N N . PRO A 1 11 ? 1.319 0.031 -2.993 1.00 97.89 11 A 1 ATOM 92 C CA . PRO A 1 11 ? 2.142 0.725 -3.998 1.00 97.84 11 A 1 ATOM 93 C C . PRO A 1 11 ? 2.962 1.851 -3.386 1.00 98.19 11 A 1 ATOM 94 O O . PRO A 1 11 ? 4.070 2.141 -3.842 1.00 97.94 11 A 1 ATOM 95 C CB . PRO A 1 11 ? 1.108 1.293 -4.980 1.00 97.10 11 A 1 ATOM 96 C CG . PRO A 1 11 ? -0.113 0.479 -4.771 1.00 96.22 11 A 1 ATOM 97 C CD . PRO A 1 11 ? -0.091 0.075 -3.316 1.00 97.35 11 A 1 ATOM 98 N N . LEU A 1 12 ? 2.431 2.479 -2.359 1.00 97.63 12 A 1 ATOM 99 C CA . LEU A 1 12 ? 3.117 3.584 -1.688 1.00 97.59 12 A 1 ATOM 100 C C . LEU A 1 12 ? 4.410 3.098 -1.042 1.00 98.02 12 A 1 ATOM 101 O O . LEU A 1 12 ? 5.433 3.783 -1.084 1.00 97.86 12 A 1 ATOM 102 C CB . LEU A 1 12 ? 2.190 4.195 -0.635 1.00 97.04 12 A 1 ATOM 103 C CG . LEU A 1 12 ? 2.394 5.695 -0.454 1.00 94.27 12 A 1 ATOM 104 C CD1 . LEU A 1 12 ? 1.045 6.402 -0.391 1.00 91.85 12 A 1 ATOM 105 C CD2 . LEU A 1 12 ? 3.190 5.978 0.799 1.00 92.06 12 A 1 ATOM 106 N N . ALA A 1 13 ? 4.371 1.905 -0.447 1.00 97.73 13 A 1 ATOM 107 C CA . ALA A 1 13 ? 5.550 1.325 0.197 1.00 97.73 13 A 1 ATOM 108 C C . ALA A 1 13 ? 6.639 1.040 -0.835 1.00 98.13 13 A 1 ATOM 109 O O . ALA A 1 13 ? 7.825 1.237 -0.569 1.00 97.77 13 A 1 ATOM 110 C CB . ALA A 1 13 ? 5.162 0.042 0.925 1.00 97.16 13 A 1 ATOM 111 N N . VAL A 1 14 ? 6.242 0.577 -2.005 1.00 98.28 14 A 1 ATOM 112 C CA . VAL A 1 14 ? 7.184 0.267 -3.084 1.00 98.31 14 A 1 ATOM 113 C C . VAL A 1 14 ? 7.845 1.544 -3.592 1.00 98.54 14 A 1 ATOM 114 O O . VAL A 1 14 ? 9.037 1.550 -3.917 1.00 98.42 14 A 1 ATOM 115 C CB . VAL A 1 14 ? 6.469 -0.450 -4.241 1.00 97.85 14 A 1 ATOM 116 C CG1 . VAL A 1 14 ? 7.447 -0.778 -5.363 1.00 96.12 14 A 1 ATOM 117 C CG2 . VAL A 1 14 ? 5.807 -1.725 -3.741 1.00 96.37 14 A 1 ATOM 118 N N . THR A 1 15 ? 7.084 2.612 -3.655 1.00 98.33 15 A 1 ATOM 119 C CA . THR A 1 15 ? 7.590 3.903 -4.127 1.00 98.18 15 A 1 ATOM 120 C C . THR A 1 15 ? 8.685 4.420 -3.199 1.00 98.37 15 A 1 ATOM 121 O O . THR A 1 15 ? 9.686 4.974 -3.658 1.00 98.08 15 A 1 ATOM 122 C CB . THR A 1 15 ? 6.447 4.926 -4.188 1.00 97.58 15 A 1 ATOM 123 O OG1 . THR A 1 15 ? 5.397 4.416 -5.006 1.00 93.88 15 A 1 ATOM 124 C CG2 . THR A 1 15 ? 6.928 6.238 -4.787 1.00 92.85 15 A 1 ATOM 125 N N . ALA A 1 16 ? 8.502 4.237 -1.907 1.00 98.31 16 A 1 ATOM 126 C CA . ALA A 1 16 ? 9.481 4.680 -0.915 1.00 98.16 16 A 1 ATOM 127 C C . ALA A 1 16 ? 10.786 3.902 -1.056 1.00 98.26 16 A 1 ATOM 128 O O . ALA A 1 16 ? 11.870 4.458 -0.879 1.00 97.74 16 A 1 ATOM 129 C CB . ALA A 1 16 ? 8.914 4.498 0.487 1.00 97.68 16 A 1 ATOM 130 N N . LEU A 1 17 ? 10.677 2.617 -1.356 1.00 98.21 17 A 1 ATOM 131 C CA . LEU A 1 17 ? 11.854 1.763 -1.535 1.00 97.91 17 A 1 ATOM 132 C C . LEU A 1 17 ? 12.594 2.107 -2.816 1.00 97.98 17 A 1 ATOM 133 O O . LEU A 1 17 ? 13.817 1.940 -2.897 1.00 97.53 17 A 1 ATOM 134 C CB . LEU A 1 17 ? 11.424 0.292 -1.562 1.00 97.36 17 A 1 ATOM 135 C CG . LEU A 1 17 ? 11.491 -0.394 -0.197 1.00 93.92 17 A 1 ATOM 136 C CD1 . LEU A 1 17 ? 10.557 -1.590 -0.151 1.00 89.89 17 A 1 ATOM 137 C CD2 . LEU A 1 17 ? 12.923 -0.830 0.091 1.00 89.44 17 A 1 ATOM 138 N N . SER A 1 18 ? 11.872 2.588 -3.813 1.00 98.18 18 A 1 ATOM 139 C CA . SER A 1 18 ? 12.451 2.961 -5.107 1.00 97.78 18 A 1 ATOM 140 C C . SER A 1 18 ? 13.552 4.002 -4.936 1.00 97.59 18 A 1 ATOM 141 O O . SER A 1 18 ? 14.518 4.022 -5.708 1.00 95.26 18 A 1 ATOM 142 C CB . SER A 1 18 ? 11.366 3.504 -6.032 1.00 96.55 18 A 1 ATOM 143 O OG . SER A 1 18 ? 11.810 3.476 -7.367 1.00 87.74 18 A 1 ATOM 144 N N . GLY A 1 19 ? 13.430 4.835 -3.919 1.00 95.62 19 A 1 ATOM 145 C CA . GLY A 1 19 ? 14.432 5.869 -3.636 1.00 92.02 19 A 1 ATOM 146 C C . GLY A 1 19 ? 14.507 6.900 -4.751 1.00 88.19 19 A 1 ATOM 147 O O . GLY A 1 19 ? 15.572 7.051 -5.352 1.00 81.12 19 A 1 ATOM 148 O OXT . GLY A 1 19 ? 13.497 7.576 -4.979 1.00 88.32 19 A 1 #