# 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_spkb16802 # _entry.id spkb16802 # 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 "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 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" "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" "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 GLY 2 1 n PHE 3 1 n THR 4 1 n LEU 5 1 n HIS 6 1 n SER 7 1 n VAL 8 1 n TYR 9 1 n PHE 10 1 n THR 11 1 n LEU 12 1 n LYS 13 1 n VAL 14 1 n SER 15 1 n LEU 16 1 n LEU 17 1 n LEU 18 1 n GLY 19 1 n SER 20 1 n LEU 21 1 n LEU 22 1 n GLY 23 1 n LEU 24 1 n SER 25 1 n LEU 26 1 n GLY 27 # _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 @ 2025-07-04 15:11:27)" _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 92.62 _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 81.69 1 1 A GLY 2 2 92.61 1 2 A PHE 3 2 88.67 1 3 A THR 4 2 94.35 1 4 A LEU 5 2 94.37 1 5 A HIS 6 2 91.10 1 6 A SER 7 2 96.67 1 7 A VAL 8 2 97.66 1 8 A TYR 9 2 95.39 1 9 A PHE 10 2 96.53 1 10 A THR 11 2 97.21 1 11 A LEU 12 2 96.01 1 12 A LYS 13 2 91.62 1 13 A VAL 14 2 97.55 1 14 A SER 15 2 96.53 1 15 A LEU 16 2 95.33 1 16 A LEU 17 2 94.82 1 17 A LEU 18 2 94.69 1 18 A GLY 19 2 96.38 1 19 A SER 20 2 95.00 1 20 A LEU 21 2 93.73 1 21 A LEU 22 2 91.58 1 22 A GLY 23 2 93.20 1 23 A LEU 24 2 88.09 1 24 A SER 25 2 88.69 1 25 A LEU 26 2 85.97 1 26 A GLY 27 2 72.87 1 27 # _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 GLY . 2 A 2 A 3 1 n PHE . 3 A 3 A 4 1 n THR . 4 A 4 A 5 1 n LEU . 5 A 5 A 6 1 n HIS . 6 A 6 A 7 1 n SER . 7 A 7 A 8 1 n VAL . 8 A 8 A 9 1 n TYR . 9 A 9 A 10 1 n PHE . 10 A 10 A 11 1 n THR . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n LYS . 13 A 13 A 14 1 n VAL . 14 A 14 A 15 1 n SER . 15 A 15 A 16 1 n LEU . 16 A 16 A 17 1 n LEU . 17 A 17 A 18 1 n LEU . 18 A 18 A 19 1 n GLY . 19 A 19 A 20 1 n SER . 20 A 20 A 21 1 n LEU . 21 A 21 A 22 1 n LEU . 22 A 22 A 23 1 n GLY . 23 A 23 A 24 1 n LEU . 24 A 24 A 25 1 n SER . 25 A 25 A 26 1 n LEU . 26 A 26 A 27 1 n GLY . 27 A 27 # _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 ? -1.179 -19.610 -1.819 1.00 89.31 1 A 1 ATOM 2 C CA . MET A 1 1 ? -1.187 -18.139 -1.675 1.00 90.84 1 A 1 ATOM 3 C C . MET A 1 1 ? -2.435 -17.567 -2.339 1.00 91.15 1 A 1 ATOM 4 O O . MET A 1 1 ? -2.706 -17.861 -3.506 1.00 86.32 1 A 1 ATOM 5 C CB . MET A 1 1 ? 0.056 -17.514 -2.311 1.00 83.90 1 A 1 ATOM 6 C CG . MET A 1 1 ? 1.330 -17.774 -1.497 1.00 78.31 1 A 1 ATOM 7 S SD . MET A 1 1 ? 1.656 -19.533 -1.251 1.00 70.75 1 A 1 ATOM 8 C CE . MET A 1 1 ? 3.075 -19.453 -0.168 1.00 62.98 1 A 1 ATOM 9 N N . GLY A 1 2 ? -3.184 -16.767 -1.615 1.00 91.24 2 A 1 ATOM 10 C CA . GLY A 1 2 ? -4.409 -16.188 -2.146 1.00 92.97 2 A 1 ATOM 11 C C . GLY A 1 2 ? -4.170 -14.874 -2.860 1.00 93.98 2 A 1 ATOM 12 O O . GLY A 1 2 ? -3.557 -13.966 -2.306 1.00 92.25 2 A 1 ATOM 13 N N . PHE A 1 3 ? -4.673 -14.775 -4.089 1.00 95.26 3 A 1 ATOM 14 C CA . PHE A 1 3 ? -4.526 -13.562 -4.894 1.00 96.32 3 A 1 ATOM 15 C C . PHE A 1 3 ? -5.289 -12.401 -4.268 1.00 97.41 3 A 1 ATOM 16 O O . PHE A 1 3 ? -4.791 -11.277 -4.200 1.00 96.67 3 A 1 ATOM 17 C CB . PHE A 1 3 ? -5.033 -13.818 -6.315 1.00 94.25 3 A 1 ATOM 18 C CG . PHE A 1 3 ? -4.823 -12.645 -7.234 1.00 87.37 3 A 1 ATOM 19 C CD1 . PHE A 1 3 ? -5.809 -11.682 -7.378 1.00 84.68 3 A 1 ATOM 20 C CD2 . PHE A 1 3 ? -3.641 -12.515 -7.942 1.00 83.57 3 A 1 ATOM 21 C CE1 . PHE A 1 3 ? -5.617 -10.594 -8.219 1.00 79.88 3 A 1 ATOM 22 C CE2 . PHE A 1 3 ? -3.443 -11.427 -8.787 1.00 81.23 3 A 1 ATOM 23 C CZ . PHE A 1 3 ? -4.433 -10.468 -8.925 1.00 78.76 3 A 1 ATOM 24 N N . THR A 1 4 ? -6.498 -12.688 -3.793 1.00 96.46 4 A 1 ATOM 25 C CA . THR A 1 4 ? -7.339 -11.666 -3.169 1.00 97.09 4 A 1 ATOM 26 C C . THR A 1 4 ? -6.677 -11.097 -1.919 1.00 97.36 4 A 1 ATOM 27 O O . THR A 1 4 ? -6.678 -9.883 -1.703 1.00 96.50 4 A 1 ATOM 28 C CB . THR A 1 4 ? -8.708 -12.246 -2.792 1.00 95.94 4 A 1 ATOM 29 O OG1 . THR A 1 4 ? -9.297 -12.870 -3.929 1.00 89.65 4 A 1 ATOM 30 C CG2 . THR A 1 4 ? -9.633 -11.157 -2.281 1.00 87.44 4 A 1 ATOM 31 N N . LEU A 1 5 ? -6.115 -11.978 -1.107 1.00 97.76 5 A 1 ATOM 32 C CA . LEU A 1 5 ? -5.439 -11.568 0.123 1.00 97.72 5 A 1 ATOM 33 C C . LEU A 1 5 ? -4.282 -10.626 -0.200 1.00 97.73 5 A 1 ATOM 34 O O . LEU A 1 5 ? -4.130 -9.568 0.414 1.00 97.42 5 A 1 ATOM 35 C CB . LEU A 1 5 ? -4.933 -12.806 0.881 1.00 97.21 5 A 1 ATOM 36 C CG . LEU A 1 5 ? -4.420 -12.572 2.305 1.00 92.74 5 A 1 ATOM 37 C CD1 . LEU A 1 5 ? -3.036 -11.961 2.306 1.00 88.04 5 A 1 ATOM 38 C CD2 . LEU A 1 5 ? -5.397 -11.706 3.089 1.00 86.34 5 A 1 ATOM 39 N N . HIS A 1 6 ? -3.462 -11.017 -1.175 1.00 97.76 6 A 1 ATOM 40 C CA . HIS A 1 6 ? -2.319 -10.203 -1.583 1.00 97.77 6 A 1 ATOM 41 C C . HIS A 1 6 ? -2.777 -8.872 -2.172 1.00 98.11 6 A 1 ATOM 42 O O . HIS A 1 6 ? -2.165 -7.830 -1.930 1.00 97.86 6 A 1 ATOM 43 C CB . HIS A 1 6 ? -1.471 -10.960 -2.603 1.00 96.88 6 A 1 ATOM 44 C CG . HIS A 1 6 ? -0.075 -10.415 -2.710 1.00 92.29 6 A 1 ATOM 45 N ND1 . HIS A 1 6 ? 0.264 -9.345 -3.491 1.00 81.54 6 A 1 ATOM 46 C CD2 . HIS A 1 6 ? 1.064 -10.829 -2.107 1.00 81.75 6 A 1 ATOM 47 C CE1 . HIS A 1 6 ? 1.565 -9.112 -3.363 1.00 82.44 6 A 1 ATOM 48 N NE2 . HIS A 1 6 ? 2.083 -9.998 -2.529 1.00 84.62 6 A 1 ATOM 49 N N . SER A 1 7 ? -3.863 -8.901 -2.937 1.00 98.28 7 A 1 ATOM 50 C CA . SER A 1 7 ? -4.410 -7.696 -3.557 1.00 98.34 7 A 1 ATOM 51 C C . SER A 1 7 ? -4.855 -6.688 -2.500 1.00 98.48 7 A 1 ATOM 52 O O . SER A 1 7 ? -4.567 -5.498 -2.607 1.00 98.00 7 A 1 ATOM 53 C CB . SER A 1 7 ? -5.587 -8.049 -4.458 1.00 97.80 7 A 1 ATOM 54 O OG . SER A 1 7 ? -5.162 -8.884 -5.521 1.00 89.11 7 A 1 ATOM 55 N N . VAL A 1 8 ? -5.557 -7.173 -1.479 1.00 98.49 8 A 1 ATOM 56 C CA . VAL A 1 8 ? -6.025 -6.306 -0.399 1.00 98.44 8 A 1 ATOM 57 C C . VAL A 1 8 ? -4.843 -5.691 0.344 1.00 98.53 8 A 1 ATOM 58 O O . VAL A 1 8 ? -4.823 -4.489 0.625 1.00 98.30 8 A 1 ATOM 59 C CB . VAL A 1 8 ? -6.917 -7.082 0.585 1.00 98.11 8 A 1 ATOM 60 C CG1 . VAL A 1 8 ? -7.285 -6.216 1.786 1.00 96.08 8 A 1 ATOM 61 C CG2 . VAL A 1 8 ? -8.180 -7.565 -0.113 1.00 95.68 8 A 1 ATOM 62 N N . TYR A 1 9 ? -3.863 -6.531 0.656 1.00 97.92 9 A 1 ATOM 63 C CA . TYR A 1 9 ? -2.661 -6.076 1.350 1.00 97.75 9 A 1 ATOM 64 C C . TYR A 1 9 ? -1.919 -5.018 0.534 1.00 97.79 9 A 1 ATOM 65 O O . TYR A 1 9 ? -1.525 -3.970 1.057 1.00 97.68 9 A 1 ATOM 66 C CB . TYR A 1 9 ? -1.744 -7.273 1.633 1.00 97.46 9 A 1 ATOM 67 C CG . TYR A 1 9 ? -0.311 -6.877 1.915 1.00 95.81 9 A 1 ATOM 68 C CD1 . TYR A 1 9 ? 0.038 -6.281 3.122 1.00 93.49 9 A 1 ATOM 69 C CD2 . TYR A 1 9 ? 0.676 -7.098 0.969 1.00 93.87 9 A 1 ATOM 70 C CE1 . TYR A 1 9 ? 1.351 -5.914 3.378 1.00 92.90 9 A 1 ATOM 71 C CE2 . TYR A 1 9 ? 1.997 -6.729 1.220 1.00 93.35 9 A 1 ATOM 72 C CZ . TYR A 1 9 ? 2.325 -6.140 2.425 1.00 94.11 9 A 1 ATOM 73 O OH . TYR A 1 9 ? 3.626 -5.773 2.669 1.00 92.53 9 A 1 ATOM 74 N N . PHE A 1 10 ? -1.728 -5.292 -0.750 1.00 98.25 10 A 1 ATOM 75 C CA . PHE A 1 10 ? -1.027 -4.369 -1.641 1.00 98.13 10 A 1 ATOM 76 C C . PHE A 1 10 ? -1.785 -3.054 -1.775 1.00 98.31 10 A 1 ATOM 77 O O . PHE A 1 10 ? -1.195 -1.976 -1.692 1.00 98.14 10 A 1 ATOM 78 C CB . PHE A 1 10 ? -0.844 -5.007 -3.015 1.00 97.87 10 A 1 ATOM 79 C CG . PHE A 1 10 ? -0.068 -4.136 -3.971 1.00 96.91 10 A 1 ATOM 80 C CD1 . PHE A 1 10 ? 1.306 -4.003 -3.849 1.00 95.04 10 A 1 ATOM 81 C CD2 . PHE A 1 10 ? -0.722 -3.455 -4.984 1.00 95.67 10 A 1 ATOM 82 C CE1 . PHE A 1 10 ? 2.026 -3.205 -4.726 1.00 94.37 10 A 1 ATOM 83 C CE2 . PHE A 1 10 ? -0.010 -2.647 -5.867 1.00 94.54 10 A 1 ATOM 84 C CZ . PHE A 1 10 ? 1.363 -2.523 -5.736 1.00 94.56 10 A 1 ATOM 85 N N . THR A 1 11 ? -3.096 -3.141 -1.973 1.00 98.33 11 A 1 ATOM 86 C CA . THR A 1 11 ? -3.934 -1.950 -2.119 1.00 98.27 11 A 1 ATOM 87 C C . THR A 1 11 ? -3.865 -1.084 -0.866 1.00 98.38 11 A 1 ATOM 88 O O . THR A 1 11 ? -3.755 0.140 -0.949 1.00 97.83 11 A 1 ATOM 89 C CB . THR A 1 11 ? -5.394 -2.344 -2.382 1.00 97.86 11 A 1 ATOM 90 O OG1 . THR A 1 11 ? -5.472 -3.140 -3.561 1.00 95.58 11 A 1 ATOM 91 C CG2 . THR A 1 11 ? -6.265 -1.108 -2.570 1.00 94.19 11 A 1 ATOM 92 N N . LEU A 1 12 ? -3.932 -1.728 0.289 1.00 98.26 12 A 1 ATOM 93 C CA . LEU A 1 12 ? -3.859 -1.008 1.556 1.00 98.15 12 A 1 ATOM 94 C C . LEU A 1 12 ? -2.513 -0.303 1.704 1.00 98.23 12 A 1 ATOM 95 O O . LEU A 1 12 ? -2.448 0.856 2.120 1.00 97.99 12 A 1 ATOM 96 C CB . LEU A 1 12 ? -4.066 -1.983 2.717 1.00 97.95 12 A 1 ATOM 97 C CG . LEU A 1 12 ? -4.109 -1.321 4.094 1.00 94.40 12 A 1 ATOM 98 C CD1 . LEU A 1 12 ? -5.325 -0.414 4.217 1.00 90.99 12 A 1 ATOM 99 C CD2 . LEU A 1 12 ? -4.135 -2.384 5.184 1.00 92.10 12 A 1 ATOM 100 N N . LYS A 1 13 ? -1.443 -1.006 1.353 1.00 97.91 13 A 1 ATOM 101 C CA . LYS A 1 13 ? -0.096 -0.450 1.447 1.00 97.74 13 A 1 ATOM 102 C C . LYS A 1 13 ? 0.072 0.745 0.516 1.00 97.86 13 A 1 ATOM 103 O O . LYS A 1 13 ? 0.618 1.780 0.909 1.00 97.52 13 A 1 ATOM 104 C CB . LYS A 1 13 ? 0.934 -1.531 1.122 1.00 97.21 13 A 1 ATOM 105 C CG . LYS A 1 13 ? 2.340 -1.149 1.552 1.00 91.04 13 A 1 ATOM 106 C CD . LYS A 1 13 ? 3.281 -2.335 1.457 1.00 87.35 13 A 1 ATOM 107 C CE . LYS A 1 13 ? 4.614 -2.034 2.137 1.00 82.79 13 A 1 ATOM 108 N NZ . LYS A 1 13 ? 5.462 -3.252 2.219 1.00 75.18 13 A 1 ATOM 109 N N . VAL A 1 14 ? -0.410 0.609 -0.711 1.00 98.45 14 A 1 ATOM 110 C CA . VAL A 1 14 ? -0.334 1.693 -1.691 1.00 98.40 14 A 1 ATOM 111 C C . VAL A 1 14 ? -1.140 2.896 -1.218 1.00 98.46 14 A 1 ATOM 112 O O . VAL A 1 14 ? -0.715 4.043 -1.367 1.00 98.18 14 A 1 ATOM 113 C CB . VAL A 1 14 ? -0.838 1.225 -3.068 1.00 97.98 14 A 1 ATOM 114 C CG1 . VAL A 1 14 ? -0.919 2.395 -4.045 1.00 95.68 14 A 1 ATOM 115 C CG2 . VAL A 1 14 ? 0.083 0.153 -3.626 1.00 95.72 14 A 1 ATOM 116 N N . SER A 1 15 ? -2.304 2.633 -0.639 1.00 98.26 15 A 1 ATOM 117 C CA . SER A 1 15 ? -3.159 3.697 -0.124 1.00 98.01 15 A 1 ATOM 118 C C . SER A 1 15 ? -2.441 4.496 0.961 1.00 98.07 15 A 1 ATOM 119 O O . SER A 1 15 ? -2.505 5.725 0.981 1.00 97.13 15 A 1 ATOM 120 C CB . SER A 1 15 ? -4.453 3.110 0.433 1.00 97.44 15 A 1 ATOM 121 O OG . SER A 1 15 ? -5.317 4.138 0.861 1.00 90.28 15 A 1 ATOM 122 N N . LEU A 1 16 ? -1.754 3.795 1.843 1.00 98.34 16 A 1 ATOM 123 C CA . LEU A 1 16 ? -1.000 4.445 2.910 1.00 98.18 16 A 1 ATOM 124 C C . LEU A 1 16 ? 0.132 5.294 2.342 1.00 98.24 16 A 1 ATOM 125 O O . LEU A 1 16 ? 0.354 6.425 2.786 1.00 97.91 16 A 1 ATOM 126 C CB . LEU A 1 16 ? -0.429 3.397 3.864 1.00 97.95 16 A 1 ATOM 127 C CG . LEU A 1 16 ? -1.480 2.689 4.716 1.00 92.24 16 A 1 ATOM 128 C CD1 . LEU A 1 16 ? -0.858 1.508 5.444 1.00 88.94 16 A 1 ATOM 129 C CD2 . LEU A 1 16 ? -2.096 3.659 5.716 1.00 90.85 16 A 1 ATOM 130 N N . LEU A 1 17 ? 0.840 4.752 1.358 1.00 98.05 17 A 1 ATOM 131 C CA . LEU A 1 17 ? 1.941 5.469 0.722 1.00 97.73 17 A 1 ATOM 132 C C . LEU A 1 17 ? 1.440 6.722 0.012 1.00 97.84 17 A 1 ATOM 133 O O . LEU A 1 17 ? 2.023 7.802 0.152 1.00 97.44 17 A 1 ATOM 134 C CB . LEU A 1 17 ? 2.656 4.555 -0.279 1.00 97.26 17 A 1 ATOM 135 C CG . LEU A 1 17 ? 3.438 3.408 0.359 1.00 91.81 17 A 1 ATOM 136 C CD1 . LEU A 1 17 ? 3.917 2.436 -0.709 1.00 88.63 17 A 1 ATOM 137 C CD2 . LEU A 1 17 ? 4.624 3.940 1.152 1.00 89.78 17 A 1 ATOM 138 N N . LEU A 1 18 ? 0.350 6.583 -0.732 1.00 97.75 18 A 1 ATOM 139 C CA . LEU A 1 18 ? -0.233 7.712 -1.449 1.00 97.45 18 A 1 ATOM 140 C C . LEU A 1 18 ? -0.725 8.777 -0.480 1.00 97.41 18 A 1 ATOM 141 O O . LEU A 1 18 ? -0.546 9.974 -0.714 1.00 97.00 18 A 1 ATOM 142 C CB . LEU A 1 18 ? -1.388 7.232 -2.329 1.00 96.91 18 A 1 ATOM 143 C CG . LEU A 1 18 ? -0.959 6.415 -3.547 1.00 92.70 18 A 1 ATOM 144 C CD1 . LEU A 1 18 ? -2.180 5.844 -4.248 1.00 89.26 18 A 1 ATOM 145 C CD2 . LEU A 1 18 ? -0.151 7.268 -4.511 1.00 89.00 18 A 1 ATOM 146 N N . GLY A 1 19 ? -1.337 8.343 0.609 1.00 97.03 19 A 1 ATOM 147 C CA . GLY A 1 19 ? -1.817 9.271 1.622 1.00 96.41 19 A 1 ATOM 148 C C . GLY A 1 19 ? -0.681 10.057 2.248 1.00 96.64 19 A 1 ATOM 149 O O . GLY A 1 19 ? -0.796 11.262 2.476 1.00 95.43 19 A 1 ATOM 150 N N . SER A 1 20 ? 0.430 9.372 2.514 1.00 97.24 20 A 1 ATOM 151 C CA . SER A 1 20 ? 1.611 10.009 3.088 1.00 96.87 20 A 1 ATOM 152 C C . SER A 1 20 ? 2.189 11.048 2.137 1.00 97.21 20 A 1 ATOM 153 O O . SER A 1 20 ? 2.503 12.168 2.546 1.00 95.41 20 A 1 ATOM 154 C CB . SER A 1 20 ? 2.676 8.963 3.419 1.00 95.39 20 A 1 ATOM 155 O OG . SER A 1 20 ? 3.800 9.576 4.012 1.00 87.85 20 A 1 ATOM 156 N N . LEU A 1 21 ? 2.316 10.676 0.866 1.00 96.91 21 A 1 ATOM 157 C CA . LEU A 1 21 ? 2.861 11.583 -0.142 1.00 96.86 21 A 1 ATOM 158 C C . LEU A 1 21 ? 1.916 12.746 -0.412 1.00 97.14 21 A 1 ATOM 159 O O . LEU A 1 21 ? 2.359 13.880 -0.617 1.00 96.31 21 A 1 ATOM 160 C CB . LEU A 1 21 ? 3.131 10.819 -1.441 1.00 96.24 21 A 1 ATOM 161 C CG . LEU A 1 21 ? 4.227 9.759 -1.345 1.00 92.79 21 A 1 ATOM 162 C CD1 . LEU A 1 21 ? 4.322 8.983 -2.650 1.00 86.71 21 A 1 ATOM 163 C CD2 . LEU A 1 21 ? 5.567 10.394 -1.013 1.00 86.87 21 A 1 ATOM 164 N N . LEU A 1 22 ? 0.619 12.466 -0.419 1.00 96.43 22 A 1 ATOM 165 C CA . LEU A 1 22 ? -0.388 13.496 -0.659 1.00 95.85 22 A 1 ATOM 166 C C . LEU A 1 22 ? -0.391 14.519 0.468 1.00 95.92 22 A 1 ATOM 167 O O . LEU A 1 22 ? -0.474 15.724 0.223 1.00 94.76 22 A 1 ATOM 168 C CB . LEU A 1 22 ? -1.769 12.854 -0.792 1.00 94.74 22 A 1 ATOM 169 C CG . LEU A 1 22 ? -2.894 13.833 -1.128 1.00 90.25 22 A 1 ATOM 170 C CD1 . LEU A 1 22 ? -2.706 14.409 -2.525 1.00 83.06 22 A 1 ATOM 171 C CD2 . LEU A 1 22 ? -4.243 13.136 -1.026 1.00 81.66 22 A 1 ATOM 172 N N . GLY A 1 23 ? -0.300 14.029 1.697 1.00 94.31 23 A 1 ATOM 173 C CA . GLY A 1 23 ? -0.287 14.915 2.852 1.00 93.67 23 A 1 ATOM 174 C C . GLY A 1 23 ? 1.008 15.694 2.964 1.00 93.84 23 A 1 ATOM 175 O O . GLY A 1 23 ? 1.002 16.908 3.183 1.00 90.98 23 A 1 ATOM 176 N N . LEU A 1 24 ? 2.128 14.992 2.800 1.00 93.98 24 A 1 ATOM 177 C CA . LEU A 1 24 ? 3.441 15.627 2.870 1.00 93.71 24 A 1 ATOM 178 C C . LEU A 1 24 ? 3.769 16.364 1.581 1.00 94.15 24 A 1 ATOM 179 O O . LEU A 1 24 ? 3.985 17.583 1.586 1.00 91.75 24 A 1 ATOM 180 C CB . LEU A 1 24 ? 4.508 14.565 3.166 1.00 91.71 24 A 1 ATOM 181 C CG . LEU A 1 24 ? 5.924 15.112 3.323 1.00 85.77 24 A 1 ATOM 182 C CD1 . LEU A 1 24 ? 6.015 16.058 4.507 1.00 78.77 24 A 1 ATOM 183 C CD2 . LEU A 1 24 ? 6.905 13.961 3.493 1.00 74.87 24 A 1 ATOM 184 N N . SER A 1 25 ? 3.802 15.617 0.477 1.00 92.14 25 A 1 ATOM 185 C CA . SER A 1 25 ? 4.094 16.161 -0.852 1.00 91.73 25 A 1 ATOM 186 C C . SER A 1 25 ? 5.427 16.907 -0.873 1.00 91.54 25 A 1 ATOM 187 O O . SER A 1 25 ? 5.506 18.075 -0.482 1.00 88.40 25 A 1 ATOM 188 C CB . SER A 1 25 ? 2.969 17.092 -1.315 1.00 89.16 25 A 1 ATOM 189 O OG . SER A 1 25 ? 3.186 17.509 -2.650 1.00 79.18 25 A 1 ATOM 190 N N . LEU A 1 26 ? 6.473 16.214 -1.334 1.00 92.51 26 A 1 ATOM 191 C CA . LEU A 1 26 ? 7.800 16.813 -1.426 1.00 91.86 26 A 1 ATOM 192 C C . LEU A 1 26 ? 7.863 17.795 -2.593 1.00 91.93 26 A 1 ATOM 193 O O . LEU A 1 26 ? 8.049 17.403 -3.745 1.00 88.91 26 A 1 ATOM 194 C CB . LEU A 1 26 ? 8.862 15.717 -1.595 1.00 89.00 26 A 1 ATOM 195 C CG . LEU A 1 26 ? 9.603 15.317 -0.317 1.00 84.06 26 A 1 ATOM 196 C CD1 . LEU A 1 26 ? 10.477 16.466 0.165 1.00 76.47 26 A 1 ATOM 197 C CD2 . LEU A 1 26 ? 8.619 14.917 0.771 1.00 73.02 26 A 1 ATOM 198 N N . GLY A 1 27 ? 7.697 19.090 -2.282 1.00 81.98 27 A 1 ATOM 199 C CA . GLY A 1 27 ? 7.747 20.103 -3.312 1.00 77.56 27 A 1 ATOM 200 C C . GLY A 1 27 ? 7.365 21.475 -2.805 1.00 72.00 27 A 1 ATOM 201 O O . GLY A 1 27 ? 6.899 21.602 -1.661 1.00 64.32 27 A 1 ATOM 202 O OXT . GLY A 1 27 ? 7.537 22.458 -3.568 1.00 68.48 27 A 1 #