# 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_spkb16382 # _entry.id spkb16382 # 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" "C6 H15 N4 O2" 175.209 ARG y ARGININE C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N ? "L-PEPTIDE LINKING" "C3 H7 N O2 S" 121.158 CYS y CYSTEINE C([C@@H](C(=O)O)N)S ? "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" "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" "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" # _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 MET 3 1 n ALA 4 1 n GLU 5 1 n MET 6 1 n ARG 7 1 n CYS 8 1 n PRO 9 1 n PHE 10 1 n SER 11 1 n GLY 12 1 n HIS 13 1 n GLY 14 1 n ALA 15 1 n ALA 16 1 n THR 17 1 n THR 18 1 n PRO 19 1 n ALA 20 1 n SER 21 1 n ALA 22 # _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 @ 2025-07-02 16:58:48)" _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 78.42 _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 72.88 1 1 A SER 2 2 74.64 1 2 A MET 3 2 76.26 1 3 A ALA 4 2 80.93 1 4 A GLU 5 2 76.08 1 5 A MET 6 2 78.25 1 6 A ARG 7 2 76.07 1 7 A CYS 8 2 80.40 1 8 A PRO 9 2 85.12 1 9 A PHE 10 2 81.37 1 10 A SER 11 2 82.92 1 11 A GLY 12 2 83.21 1 12 A HIS 13 2 77.33 1 13 A GLY 14 2 80.41 1 14 A ALA 15 2 78.83 1 15 A ALA 16 2 79.53 1 16 A THR 17 2 76.18 1 17 A THR 18 2 77.82 1 18 A PRO 19 2 79.93 1 19 A ALA 20 2 82.37 1 20 A SER 21 2 77.04 1 21 A ALA 22 2 74.44 1 22 # _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 MET . 3 A 3 A 4 1 n ALA . 4 A 4 A 5 1 n GLU . 5 A 5 A 6 1 n MET . 6 A 6 A 7 1 n ARG . 7 A 7 A 8 1 n CYS . 8 A 8 A 9 1 n PRO . 9 A 9 A 10 1 n PHE . 10 A 10 A 11 1 n SER . 11 A 11 A 12 1 n GLY . 12 A 12 A 13 1 n HIS . 13 A 13 A 14 1 n GLY . 14 A 14 A 15 1 n ALA . 15 A 15 A 16 1 n ALA . 16 A 16 A 17 1 n THR . 17 A 17 A 18 1 n THR . 18 A 18 A 19 1 n PRO . 19 A 19 A 20 1 n ALA . 20 A 20 A 21 1 n SER . 21 A 21 A 22 1 n ALA . 22 A 22 # _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 ? -4.271 13.097 1.455 1.00 76.71 1 A 1 ATOM 2 C CA . MET A 1 1 ? -3.207 12.130 1.135 1.00 79.44 1 A 1 ATOM 3 C C . MET A 1 1 ? -2.935 11.204 2.324 1.00 80.84 1 A 1 ATOM 4 O O . MET A 1 1 ? -2.784 11.662 3.451 1.00 75.81 1 A 1 ATOM 5 C CB . MET A 1 1 ? -1.927 12.876 0.754 1.00 74.31 1 A 1 ATOM 6 C CG . MET A 1 1 ? -1.433 13.816 1.851 1.00 69.42 1 A 1 ATOM 7 S SD . MET A 1 1 ? -0.024 14.817 1.336 1.00 67.15 1 A 1 ATOM 8 C CE . MET A 1 1 ? -0.867 16.119 0.457 1.00 59.40 1 A 1 ATOM 9 N N . SER A 1 2 ? -2.884 9.912 2.068 1.00 73.53 2 A 1 ATOM 10 C CA . SER A 1 2 ? -2.626 8.927 3.118 1.00 77.39 2 A 1 ATOM 11 C C . SER A 1 2 ? -1.172 8.454 3.081 1.00 78.54 2 A 1 ATOM 12 O O . SER A 1 2 ? -0.489 8.599 2.067 1.00 76.49 2 A 1 ATOM 13 C CB . SER A 1 2 ? -3.570 7.741 2.951 1.00 73.82 2 A 1 ATOM 14 O OG . SER A 1 2 ? -4.916 8.133 3.147 1.00 68.08 2 A 1 ATOM 15 N N . MET A 1 3 ? -0.709 7.884 4.194 1.00 79.29 3 A 1 ATOM 16 C CA . MET A 1 3 ? 0.668 7.388 4.287 1.00 81.51 3 A 1 ATOM 17 C C . MET A 1 3 ? 0.877 6.147 3.418 1.00 83.59 3 A 1 ATOM 18 O O . MET A 1 3 ? 1.964 5.904 2.914 1.00 81.16 3 A 1 ATOM 19 C CB . MET A 1 3 ? 0.995 7.049 5.743 1.00 79.22 3 A 1 ATOM 20 C CG . MET A 1 3 ? 0.961 8.254 6.664 1.00 73.37 3 A 1 ATOM 21 S SD . MET A 1 3 ? 0.892 7.762 8.391 1.00 70.63 3 A 1 ATOM 22 C CE . MET A 1 3 ? -0.375 8.872 8.975 1.00 61.32 3 A 1 ATOM 23 N N . ALA A 1 4 ? -0.177 5.362 3.240 1.00 79.80 4 A 1 ATOM 24 C CA . ALA A 1 4 ? -0.110 4.147 2.428 1.00 81.55 4 A 1 ATOM 25 C C . ALA A 1 4 ? 0.113 4.465 0.952 1.00 82.64 4 A 1 ATOM 26 O O . ALA A 1 4 ? 0.563 3.613 0.191 1.00 80.68 4 A 1 ATOM 27 C CB . ALA A 1 4 ? -1.396 3.348 2.603 1.00 79.99 4 A 1 ATOM 28 N N . GLU A 1 5 ? -0.197 5.686 0.552 1.00 79.54 5 A 1 ATOM 29 C CA . GLU A 1 5 ? -0.024 6.101 -0.841 1.00 80.90 5 A 1 ATOM 30 C C . GLU A 1 5 ? 1.448 6.311 -1.181 1.00 81.60 5 A 1 ATOM 31 O O . GLU A 1 5 ? 1.881 6.005 -2.290 1.00 80.81 5 A 1 ATOM 32 C CB . GLU A 1 5 ? -0.799 7.399 -1.094 1.00 80.10 5 A 1 ATOM 33 C CG . GLU A 1 5 ? -2.292 7.185 -1.201 1.00 73.49 5 A 1 ATOM 34 C CD . GLU A 1 5 ? -3.051 8.493 -1.302 1.00 72.63 5 A 1 ATOM 35 O OE1 . GLU A 1 5 ? -3.519 8.977 -0.266 1.00 66.49 5 A 1 ATOM 36 O OE2 . GLU A 1 5 ? -3.151 9.026 -2.417 1.00 69.20 5 A 1 ATOM 37 N N . MET A 1 6 ? 2.224 6.839 -0.225 1.00 82.07 6 A 1 ATOM 38 C CA . MET A 1 6 ? 3.648 7.098 -0.446 1.00 81.82 6 A 1 ATOM 39 C C . MET A 1 6 ? 4.512 5.888 -0.100 1.00 82.90 6 A 1 ATOM 40 O O . MET A 1 6 ? 5.461 5.576 -0.813 1.00 80.14 6 A 1 ATOM 41 C CB . MET A 1 6 ? 4.093 8.312 0.375 1.00 81.14 6 A 1 ATOM 42 C CG . MET A 1 6 ? 3.522 9.616 -0.135 1.00 77.31 6 A 1 ATOM 43 S SD . MET A 1 6 ? 4.569 11.024 0.264 1.00 73.96 6 A 1 ATOM 44 C CE . MET A 1 6 ? 5.677 11.000 -1.136 1.00 66.66 6 A 1 ATOM 45 N N . ARG A 1 7 ? 4.163 5.197 0.994 1.00 82.06 7 A 1 ATOM 46 C CA . ARG A 1 7 ? 4.942 4.037 1.440 1.00 81.92 7 A 1 ATOM 47 C C . ARG A 1 7 ? 4.714 2.823 0.550 1.00 81.63 7 A 1 ATOM 48 O O . ARG A 1 7 ? 5.661 2.230 0.043 1.00 79.41 7 A 1 ATOM 49 C CB . ARG A 1 7 ? 4.593 3.693 2.886 1.00 80.22 7 A 1 ATOM 50 C CG . ARG A 1 7 ? 5.253 4.639 3.872 1.00 77.12 7 A 1 ATOM 51 C CD . ARG A 1 7 ? 5.430 3.968 5.210 1.00 76.82 7 A 1 ATOM 52 N NE . ARG A 1 7 ? 6.233 4.792 6.112 1.00 73.06 7 A 1 ATOM 53 C CZ . ARG A 1 7 ? 6.729 4.363 7.259 1.00 71.21 7 A 1 ATOM 54 N NH1 . ARG A 1 7 ? 6.515 3.126 7.664 1.00 68.09 7 A 1 ATOM 55 N NH2 . ARG A 1 7 ? 7.437 5.179 8.016 1.00 65.22 7 A 1 ATOM 56 N N . CYS A 1 8 ? 3.464 2.454 0.363 1.00 82.17 8 A 1 ATOM 57 C CA . CYS A 1 8 ? 3.144 1.287 -0.454 1.00 82.43 8 A 1 ATOM 58 C C . CYS A 1 8 ? 1.796 1.462 -1.156 1.00 83.03 8 A 1 ATOM 59 O O . CYS A 1 8 ? 0.771 0.997 -0.668 1.00 80.58 8 A 1 ATOM 60 C CB . CYS A 1 8 ? 3.127 0.033 0.423 1.00 79.93 8 A 1 ATOM 61 S SG . CYS A 1 8 ? 2.257 0.270 1.991 1.00 74.23 8 A 1 ATOM 62 N N . PRO A 1 9 ? 1.796 2.119 -2.309 1.00 84.30 9 A 1 ATOM 63 C CA . PRO A 1 9 ? 0.563 2.323 -3.080 1.00 85.49 9 A 1 ATOM 64 C C . PRO A 1 9 ? 0.029 1.027 -3.689 1.00 86.31 9 A 1 ATOM 65 O O . PRO A 1 9 ? -1.134 0.956 -4.090 1.00 84.02 9 A 1 ATOM 66 C CB . PRO A 1 9 ? 0.985 3.311 -4.174 1.00 84.03 9 A 1 ATOM 67 C CG . PRO A 1 9 ? 2.453 3.100 -4.328 1.00 84.10 9 A 1 ATOM 68 C CD . PRO A 1 9 ? 2.963 2.733 -2.950 1.00 87.56 9 A 1 ATOM 69 N N . PHE A 1 10 ? 0.864 0.009 -3.750 1.00 83.63 10 A 1 ATOM 70 C CA . PHE A 1 10 ? 0.477 -1.288 -4.305 1.00 84.55 10 A 1 ATOM 71 C C . PHE A 1 10 ? -0.081 -2.219 -3.233 1.00 85.98 10 A 1 ATOM 72 O O . PHE A 1 10 ? -0.332 -3.398 -3.499 1.00 84.10 10 A 1 ATOM 73 C CB . PHE A 1 10 ? 1.678 -1.941 -4.992 1.00 82.99 10 A 1 ATOM 74 C CG . PHE A 1 10 ? 2.941 -1.872 -4.163 1.00 80.21 10 A 1 ATOM 75 C CD1 . PHE A 1 10 ? 3.201 -2.831 -3.197 1.00 79.29 10 A 1 ATOM 76 C CD2 . PHE A 1 10 ? 3.854 -0.844 -4.354 1.00 78.56 10 A 1 ATOM 77 C CE1 . PHE A 1 10 ? 4.355 -2.767 -2.429 1.00 78.71 10 A 1 ATOM 78 C CE2 . PHE A 1 10 ? 5.012 -0.777 -3.581 1.00 78.63 10 A 1 ATOM 79 C CZ . PHE A 1 10 ? 5.259 -1.739 -2.622 1.00 78.40 10 A 1 ATOM 80 N N . SER A 1 11 ? -0.284 -1.716 -2.034 1.00 85.43 11 A 1 ATOM 81 C CA . SER A 1 11 ? -0.806 -2.507 -0.921 1.00 85.74 11 A 1 ATOM 82 C C . SER A 1 11 ? -2.326 -2.383 -0.820 1.00 86.25 11 A 1 ATOM 83 O O . SER A 1 11 ? -2.893 -2.355 0.266 1.00 82.54 11 A 1 ATOM 84 C CB . SER A 1 11 ? -0.151 -2.077 0.392 1.00 83.05 11 A 1 ATOM 85 O OG . SER A 1 11 ? -0.524 -2.936 1.442 1.00 74.52 11 A 1 ATOM 86 N N . GLY A 1 12 ? -2.979 -2.303 -1.950 1.00 82.70 12 A 1 ATOM 87 C CA . GLY A 1 12 ? -4.439 -2.173 -1.988 1.00 82.96 12 A 1 ATOM 88 C C . GLY A 1 12 ? -5.152 -3.499 -1.813 1.00 84.57 12 A 1 ATOM 89 O O . GLY A 1 12 ? -6.003 -3.851 -2.623 1.00 82.62 12 A 1 ATOM 90 N N . HIS A 1 13 ? -4.830 -4.231 -0.740 1.00 83.37 13 A 1 ATOM 91 C CA . HIS A 1 13 ? -5.455 -5.521 -0.433 1.00 84.62 13 A 1 ATOM 92 C C . HIS A 1 13 ? -5.361 -6.478 -1.622 1.00 85.94 13 A 1 ATOM 93 O O . HIS A 1 13 ? -6.370 -6.979 -2.119 1.00 81.13 13 A 1 ATOM 94 C CB . HIS A 1 13 ? -6.923 -5.296 -0.037 1.00 81.42 13 A 1 ATOM 95 C CG . HIS A 1 13 ? -7.397 -6.246 1.026 1.00 76.57 13 A 1 ATOM 96 N ND1 . HIS A 1 13 ? -8.296 -7.246 0.788 1.00 69.83 13 A 1 ATOM 97 C CD2 . HIS A 1 13 ? -7.096 -6.311 2.338 1.00 70.59 13 A 1 ATOM 98 C CE1 . HIS A 1 13 ? -8.517 -7.897 1.925 1.00 70.28 13 A 1 ATOM 99 N NE2 . HIS A 1 13 ? -7.810 -7.352 2.888 1.00 69.51 13 A 1 ATOM 100 N N . GLY A 1 14 ? -4.137 -6.725 -2.081 1.00 79.86 14 A 1 ATOM 101 C CA . GLY A 1 14 ? -3.920 -7.617 -3.219 1.00 80.43 14 A 1 ATOM 102 C C . GLY A 1 14 ? -4.236 -9.061 -2.893 1.00 81.73 14 A 1 ATOM 103 O O . GLY A 1 14 ? -5.179 -9.637 -3.439 1.00 79.60 14 A 1 ATOM 104 N N . ALA A 1 15 ? -3.448 -9.669 -2.005 1.00 79.50 15 A 1 ATOM 105 C CA . ALA A 1 15 ? -3.649 -11.059 -1.591 1.00 80.05 15 A 1 ATOM 106 C C . ALA A 1 15 ? -2.766 -11.414 -0.399 1.00 80.78 15 A 1 ATOM 107 O O . ALA A 1 15 ? -3.247 -11.908 0.617 1.00 77.71 15 A 1 ATOM 108 C CB . ALA A 1 15 ? -3.348 -11.991 -2.753 1.00 76.12 15 A 1 ATOM 109 N N . ALA A 1 16 ? -1.473 -11.157 -0.522 1.00 80.32 16 A 1 ATOM 110 C CA . ALA A 1 16 ? -0.509 -11.445 0.539 1.00 80.61 16 A 1 ATOM 111 C C . ALA A 1 16 ? 0.020 -10.159 1.168 1.00 81.40 16 A 1 ATOM 112 O O . ALA A 1 16 ? 1.194 -10.057 1.522 1.00 78.13 16 A 1 ATOM 113 C CB . ALA A 1 16 ? 0.636 -12.274 -0.019 1.00 77.20 16 A 1 ATOM 114 N N . THR A 1 17 ? -0.858 -9.169 1.298 1.00 79.89 17 A 1 ATOM 115 C CA . THR A 1 17 ? -0.479 -7.880 1.872 1.00 79.88 17 A 1 ATOM 116 C C . THR A 1 17 ? -1.431 -7.485 2.992 1.00 79.94 17 A 1 ATOM 117 O O . THR A 1 17 ? -2.644 -7.679 2.888 1.00 76.73 17 A 1 ATOM 118 C CB . THR A 1 17 ? -0.478 -6.784 0.799 1.00 76.78 17 A 1 ATOM 119 O OG1 . THR A 1 17 ? -1.742 -6.748 0.141 1.00 70.54 17 A 1 ATOM 120 C CG2 . THR A 1 17 ? 0.609 -7.017 -0.229 1.00 69.51 17 A 1 ATOM 121 N N . THR A 1 18 ? -0.885 -6.919 4.050 1.00 80.35 18 A 1 ATOM 122 C CA . THR A 1 18 ? -1.692 -6.495 5.201 1.00 80.87 18 A 1 ATOM 123 C C . THR A 1 18 ? -1.647 -4.974 5.346 1.00 81.32 18 A 1 ATOM 124 O O . THR A 1 18 ? -0.633 -4.421 5.775 1.00 80.39 18 A 1 ATOM 125 C CB . THR A 1 18 ? -1.177 -7.141 6.495 1.00 78.23 18 A 1 ATOM 126 O OG1 . THR A 1 18 ? -0.795 -8.488 6.251 1.00 72.62 18 A 1 ATOM 127 C CG2 . THR A 1 18 ? -2.244 -7.119 7.578 1.00 70.94 18 A 1 ATOM 128 N N . PRO A 1 19 ? -2.734 -4.293 4.991 1.00 80.49 19 A 1 ATOM 129 C CA . PRO A 1 19 ? -2.790 -2.825 5.088 1.00 81.55 19 A 1 ATOM 130 C C . PRO A 1 19 ? -2.806 -2.325 6.533 1.00 82.11 19 A 1 ATOM 131 O O . PRO A 1 19 ? -2.370 -1.206 6.810 1.00 77.92 19 A 1 ATOM 132 C CB . PRO A 1 19 ? -4.097 -2.473 4.368 1.00 78.90 19 A 1 ATOM 133 C CG . PRO A 1 19 ? -4.934 -3.701 4.490 1.00 77.47 19 A 1 ATOM 134 C CD . PRO A 1 19 ? -3.975 -4.864 4.473 1.00 81.05 19 A 1 ATOM 135 N N . ALA A 1 20 ? -3.302 -3.142 7.443 1.00 82.90 20 A 1 ATOM 136 C CA . ALA A 1 20 ? -3.377 -2.783 8.863 1.00 82.94 20 A 1 ATOM 137 C C . ALA A 1 20 ? -2.245 -3.436 9.658 1.00 84.30 20 A 1 ATOM 138 O O . ALA A 1 20 ? -2.474 -4.045 10.704 1.00 81.66 20 A 1 ATOM 139 C CB . ALA A 1 20 ? -4.736 -3.187 9.428 1.00 80.03 20 A 1 ATOM 140 N N . SER A 1 21 ? -1.033 -3.313 9.139 1.00 79.58 21 A 1 ATOM 141 C CA . SER A 1 21 ? 0.135 -3.888 9.803 1.00 79.97 21 A 1 ATOM 142 C C . SER A 1 21 ? 1.119 -2.790 10.214 1.00 80.02 21 A 1 ATOM 143 O O . SER A 1 21 ? 1.661 -2.085 9.364 1.00 76.81 21 A 1 ATOM 144 C CB . SER A 1 21 ? 0.830 -4.885 8.877 1.00 76.83 21 A 1 ATOM 145 O OG . SER A 1 21 ? 1.673 -5.741 9.611 1.00 69.02 21 A 1 ATOM 146 N N . ALA A 1 22 ? 1.334 -2.651 11.532 1.00 79.58 22 A 1 ATOM 147 C CA . ALA A 1 22 ? 2.240 -1.629 12.047 1.00 78.49 22 A 1 ATOM 148 C C . ALA A 1 22 ? 3.205 -2.215 13.082 1.00 76.75 22 A 1 ATOM 149 O O . ALA A 1 22 ? 3.046 -3.389 13.462 1.00 72.57 22 A 1 ATOM 150 C CB . ALA A 1 22 ? 1.431 -0.490 12.668 1.00 72.56 22 A 1 ATOM 151 O OXT . ALA A 1 22 ? 4.116 -1.494 13.544 1.00 66.70 22 A 1 #