# 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_spkb16891 # _entry.id spkb16891 # 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 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" "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 LEU 2 1 n THR 3 1 n LEU 4 1 n LYS 5 1 n LYS 6 1 n SER 7 1 n MET 8 1 n LEU 9 1 n LEU 10 1 n LEU 11 1 n PHE 12 1 n PHE 13 1 n LEU 14 1 n GLY 15 1 n MET 16 1 n VAL 17 1 n SER 18 1 n LEU 19 1 n SER 20 1 n LEU 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 @ 2025-07-03 07:36:11)" _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 91.81 _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 79.99 1 1 A LEU 2 2 85.97 1 2 A THR 3 2 91.55 1 3 A LEU 4 2 90.01 1 4 A LYS 5 2 88.12 1 5 A LYS 6 2 89.06 1 6 A SER 7 2 94.45 1 7 A MET 8 2 89.67 1 8 A LEU 9 2 94.23 1 9 A LEU 10 2 94.37 1 10 A LEU 11 2 94.85 1 11 A PHE 12 2 94.44 1 12 A PHE 13 2 93.50 1 13 A LEU 14 2 95.21 1 14 A GLY 15 2 97.60 1 15 A MET 16 2 92.48 1 16 A VAL 17 2 96.14 1 17 A SER 18 2 95.76 1 18 A LEU 19 2 93.92 1 19 A SER 20 2 93.95 1 20 A LEU 21 2 91.61 1 21 A ALA 22 2 86.24 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 LEU . 2 A 2 A 3 1 n THR . 3 A 3 A 4 1 n LEU . 4 A 4 A 5 1 n LYS . 5 A 5 A 6 1 n LYS . 6 A 6 A 7 1 n SER . 7 A 7 A 8 1 n MET . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n PHE . 12 A 12 A 13 1 n PHE . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n GLY . 15 A 15 A 16 1 n MET . 16 A 16 A 17 1 n VAL . 17 A 17 A 18 1 n SER . 18 A 18 A 19 1 n LEU . 19 A 19 A 20 1 n SER . 20 A 20 A 21 1 n LEU . 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 ? 13.667 6.233 4.337 1.00 85.72 1 A 1 ATOM 2 C CA . MET A 1 1 ? 13.879 4.930 4.998 1.00 89.13 1 A 1 ATOM 3 C C . MET A 1 1 ? 12.593 4.112 4.966 1.00 89.86 1 A 1 ATOM 4 O O . MET A 1 1 ? 11.520 4.652 5.215 1.00 84.20 1 A 1 ATOM 5 C CB . MET A 1 1 ? 14.323 5.129 6.451 1.00 81.91 1 A 1 ATOM 6 C CG . MET A 1 1 ? 15.750 5.652 6.552 1.00 76.59 1 A 1 ATOM 7 S SD . MET A 1 1 ? 16.281 5.827 8.259 1.00 69.35 1 A 1 ATOM 8 C CE . MET A 1 1 ? 17.972 6.354 8.023 1.00 63.18 1 A 1 ATOM 9 N N . LEU A 1 2 ? 12.689 2.836 4.652 1.00 90.97 2 A 1 ATOM 10 C CA . LEU A 1 2 ? 11.525 1.959 4.578 1.00 92.34 2 A 1 ATOM 11 C C . LEU A 1 2 ? 11.457 1.071 5.813 1.00 94.08 2 A 1 ATOM 12 O O . LEU A 1 2 ? 12.187 0.085 5.917 1.00 91.81 2 A 1 ATOM 13 C CB . LEU A 1 2 ? 11.598 1.117 3.305 1.00 89.36 2 A 1 ATOM 14 C CG . LEU A 1 2 ? 10.265 0.504 2.873 1.00 79.24 2 A 1 ATOM 15 C CD1 . LEU A 1 2 ? 9.343 1.572 2.301 1.00 76.35 2 A 1 ATOM 16 C CD2 . LEU A 1 2 ? 10.511 -0.578 1.827 1.00 73.64 2 A 1 ATOM 17 N N . THR A 1 3 ? 10.573 1.439 6.734 1.00 94.50 3 A 1 ATOM 18 C CA . THR A 1 3 ? 10.374 0.665 7.958 1.00 95.47 3 A 1 ATOM 19 C C . THR A 1 3 ? 9.159 -0.248 7.811 1.00 95.72 3 A 1 ATOM 20 O O . THR A 1 3 ? 8.387 -0.119 6.858 1.00 93.97 3 A 1 ATOM 21 C CB . THR A 1 3 ? 10.193 1.589 9.170 1.00 93.54 3 A 1 ATOM 22 O OG1 . THR A 1 3 ? 9.168 2.529 8.914 1.00 84.60 3 A 1 ATOM 23 C CG2 . THR A 1 3 ? 11.473 2.323 9.503 1.00 83.05 3 A 1 ATOM 24 N N . LEU A 1 4 ? 8.980 -1.162 8.758 1.00 95.49 4 A 1 ATOM 25 C CA . LEU A 1 4 ? 7.860 -2.098 8.695 1.00 95.59 4 A 1 ATOM 26 C C . LEU A 1 4 ? 6.517 -1.373 8.771 1.00 95.78 4 A 1 ATOM 27 O O . LEU A 1 4 ? 5.543 -1.801 8.148 1.00 94.49 4 A 1 ATOM 28 C CB . LEU A 1 4 ? 7.984 -3.157 9.804 1.00 94.24 4 A 1 ATOM 29 C CG . LEU A 1 4 ? 7.914 -2.642 11.233 1.00 85.94 4 A 1 ATOM 30 C CD1 . LEU A 1 4 ? 6.539 -2.920 11.831 1.00 80.52 4 A 1 ATOM 31 C CD2 . LEU A 1 4 ? 8.977 -3.300 12.085 1.00 78.04 4 A 1 ATOM 32 N N . LYS A 1 5 ? 6.461 -0.269 9.521 1.00 95.88 5 A 1 ATOM 33 C CA . LYS A 1 5 ? 5.235 0.510 9.635 1.00 96.35 5 A 1 ATOM 34 C C . LYS A 1 5 ? 4.904 1.221 8.325 1.00 96.36 5 A 1 ATOM 35 O O . LYS A 1 5 ? 3.733 1.308 7.945 1.00 95.75 5 A 1 ATOM 36 C CB . LYS A 1 5 ? 5.319 1.499 10.806 1.00 95.16 5 A 1 ATOM 37 C CG . LYS A 1 5 ? 6.407 2.553 10.680 1.00 87.04 5 A 1 ATOM 38 C CD . LYS A 1 5 ? 6.338 3.535 11.840 1.00 83.15 5 A 1 ATOM 39 C CE . LYS A 1 5 ? 7.405 4.598 11.729 1.00 75.13 5 A 1 ATOM 40 N NZ . LYS A 1 5 ? 7.309 5.578 12.850 1.00 68.25 5 A 1 ATOM 41 N N . LYS A 1 6 ? 5.934 1.708 7.629 1.00 96.36 6 A 1 ATOM 42 C CA . LYS A 1 6 ? 5.741 2.360 6.338 1.00 96.61 6 A 1 ATOM 43 C C . LYS A 1 6 ? 5.356 1.338 5.272 1.00 96.80 6 A 1 ATOM 44 O O . LYS A 1 6 ? 4.473 1.595 4.451 1.00 96.34 6 A 1 ATOM 45 C CB . LYS A 1 6 ? 7.002 3.117 5.909 1.00 95.70 6 A 1 ATOM 46 C CG . LYS A 1 6 ? 6.976 4.594 6.307 1.00 89.53 6 A 1 ATOM 47 C CD . LYS A 1 6 ? 7.604 4.815 7.664 1.00 83.11 6 A 1 ATOM 48 C CE . LYS A 1 6 ? 7.321 6.202 8.200 1.00 77.44 6 A 1 ATOM 49 N NZ . LYS A 1 6 ? 7.851 7.283 7.349 1.00 69.69 6 A 1 ATOM 50 N N . SER A 1 7 ? 6.000 0.190 5.290 1.00 96.55 7 A 1 ATOM 51 C CA . SER A 1 7 ? 5.693 -0.882 4.349 1.00 96.58 7 A 1 ATOM 52 C C . SER A 1 7 ? 4.271 -1.401 4.546 1.00 97.05 7 A 1 ATOM 53 O O . SER A 1 7 ? 3.550 -1.629 3.578 1.00 96.22 7 A 1 ATOM 54 C CB . SER A 1 7 ? 6.689 -2.026 4.510 1.00 95.60 7 A 1 ATOM 55 O OG . SER A 1 7 ? 7.971 -1.633 4.070 1.00 84.73 7 A 1 ATOM 56 N N . MET A 1 8 ? 3.876 -1.571 5.794 1.00 95.88 8 A 1 ATOM 57 C CA . MET A 1 8 ? 2.526 -2.031 6.120 1.00 96.31 8 A 1 ATOM 58 C C . MET A 1 8 ? 1.472 -1.025 5.657 1.00 97.05 8 A 1 ATOM 59 O O . MET A 1 8 ? 0.448 -1.412 5.098 1.00 96.28 8 A 1 ATOM 60 C CB . MET A 1 8 ? 2.405 -2.261 7.628 1.00 95.36 8 A 1 ATOM 61 C CG . MET A 1 8 ? 3.067 -3.555 8.077 1.00 86.73 8 A 1 ATOM 62 S SD . MET A 1 8 ? 1.870 -4.841 8.388 1.00 78.34 8 A 1 ATOM 63 C CE . MET A 1 8 ? 2.949 -6.197 8.812 1.00 71.39 8 A 1 ATOM 64 N N . LEU A 1 9 ? 1.740 0.261 5.873 1.00 96.85 9 A 1 ATOM 65 C CA . LEU A 1 9 ? 0.826 1.318 5.456 1.00 97.07 9 A 1 ATOM 66 C C . LEU A 1 9 ? 0.652 1.335 3.940 1.00 97.49 9 A 1 ATOM 67 O O . LEU A 1 9 ? -0.469 1.434 3.442 1.00 97.47 9 A 1 ATOM 68 C CB . LEU A 1 9 ? 1.340 2.678 5.937 1.00 97.14 9 A 1 ATOM 69 C CG . LEU A 1 9 ? 0.736 3.156 7.255 1.00 90.95 9 A 1 ATOM 70 C CD1 . LEU A 1 9 ? 1.539 4.313 7.819 1.00 87.25 9 A 1 ATOM 71 C CD2 . LEU A 1 9 ? -0.710 3.576 7.060 1.00 89.63 9 A 1 ATOM 72 N N . LEU A 1 10 ? 1.757 1.236 3.215 1.00 97.37 10 A 1 ATOM 73 C CA . LEU A 1 10 ? 1.722 1.243 1.757 1.00 97.25 10 A 1 ATOM 74 C C . LEU A 1 10 ? 0.971 0.031 1.215 1.00 97.57 10 A 1 ATOM 75 O O . LEU A 1 10 ? 0.150 0.160 0.306 1.00 97.53 10 A 1 ATOM 76 C CB . LEU A 1 10 ? 3.146 1.272 1.200 1.00 97.22 10 A 1 ATOM 77 C CG . LEU A 1 10 ? 3.871 2.605 1.368 1.00 91.57 10 A 1 ATOM 78 C CD1 . LEU A 1 10 ? 5.354 2.437 1.092 1.00 87.29 10 A 1 ATOM 79 C CD2 . LEU A 1 10 ? 3.287 3.660 0.437 1.00 89.14 10 A 1 ATOM 80 N N . LEU A 1 11 ? 1.244 -1.138 1.774 1.00 97.52 11 A 1 ATOM 81 C CA . LEU A 1 11 ? 0.576 -2.363 1.349 1.00 97.48 11 A 1 ATOM 82 C C . LEU A 1 11 ? -0.918 -2.315 1.658 1.00 97.63 11 A 1 ATOM 83 O O . LEU A 1 11 ? -1.739 -2.741 0.841 1.00 97.47 11 A 1 ATOM 84 C CB . LEU A 1 11 ? 1.218 -3.571 2.038 1.00 97.35 11 A 1 ATOM 85 C CG . LEU A 1 11 ? 2.582 -3.969 1.477 1.00 92.61 11 A 1 ATOM 86 C CD1 . LEU A 1 11 ? 3.293 -4.907 2.439 1.00 88.81 11 A 1 ATOM 87 C CD2 . LEU A 1 11 ? 2.425 -4.643 0.120 1.00 89.93 11 A 1 ATOM 88 N N . PHE A 1 12 ? -1.264 -1.789 2.822 1.00 97.09 12 A 1 ATOM 89 C CA . PHE A 1 12 ? -2.658 -1.671 3.237 1.00 97.05 12 A 1 ATOM 90 C C . PHE A 1 12 ? -3.408 -0.704 2.328 1.00 97.41 12 A 1 ATOM 91 O O . PHE A 1 12 ? -4.529 -0.983 1.897 1.00 97.27 12 A 1 ATOM 92 C CB . PHE A 1 12 ? -2.727 -1.202 4.689 1.00 97.00 12 A 1 ATOM 93 C CG . PHE A 1 12 ? -3.869 -1.816 5.459 1.00 94.83 12 A 1 ATOM 94 C CD1 . PHE A 1 12 ? -3.736 -3.071 6.036 1.00 90.96 12 A 1 ATOM 95 C CD2 . PHE A 1 12 ? -5.066 -1.131 5.591 1.00 92.46 12 A 1 ATOM 96 C CE1 . PHE A 1 12 ? -4.788 -3.641 6.740 1.00 90.89 12 A 1 ATOM 97 C CE2 . PHE A 1 12 ? -6.128 -1.699 6.294 1.00 91.64 12 A 1 ATOM 98 C CZ . PHE A 1 12 ? -5.989 -2.955 6.869 1.00 92.27 12 A 1 ATOM 99 N N . PHE A 1 13 ? -2.785 0.437 2.030 1.00 96.90 13 A 1 ATOM 100 C CA . PHE A 1 13 ? -3.381 1.441 1.156 1.00 96.86 13 A 1 ATOM 101 C C . PHE A 1 13 ? -3.598 0.884 -0.245 1.00 97.22 13 A 1 ATOM 102 O O . PHE A 1 13 ? -4.672 1.055 -0.827 1.00 96.97 13 A 1 ATOM 103 C CB . PHE A 1 13 ? -2.491 2.685 1.094 1.00 96.74 13 A 1 ATOM 104 C CG . PHE A 1 13 ? -3.212 3.945 1.509 1.00 93.75 13 A 1 ATOM 105 C CD1 . PHE A 1 13 ? -3.988 4.648 0.601 1.00 89.84 13 A 1 ATOM 106 C CD2 . PHE A 1 13 ? -3.109 4.407 2.816 1.00 91.20 13 A 1 ATOM 107 C CE1 . PHE A 1 13 ? -4.656 5.806 0.987 1.00 89.01 13 A 1 ATOM 108 C CE2 . PHE A 1 13 ? -3.775 5.567 3.206 1.00 89.69 13 A 1 ATOM 109 C CZ . PHE A 1 13 ? -4.549 6.266 2.293 1.00 90.32 13 A 1 ATOM 110 N N . LEU A 1 14 ? -2.589 0.206 -0.776 1.00 97.74 14 A 1 ATOM 111 C CA . LEU A 1 14 ? -2.681 -0.391 -2.105 1.00 97.53 14 A 1 ATOM 112 C C . LEU A 1 14 ? -3.787 -1.438 -2.165 1.00 97.71 14 A 1 ATOM 113 O O . LEU A 1 14 ? -4.518 -1.527 -3.153 1.00 97.24 14 A 1 ATOM 114 C CB . LEU A 1 14 ? -1.333 -1.012 -2.493 1.00 97.11 14 A 1 ATOM 115 C CG . LEU A 1 14 ? -0.494 -0.197 -3.484 1.00 94.04 14 A 1 ATOM 116 C CD1 . LEU A 1 14 ? -1.165 -0.170 -4.846 1.00 89.76 14 A 1 ATOM 117 C CD2 . LEU A 1 14 ? -0.262 1.211 -2.977 1.00 90.56 14 A 1 ATOM 118 N N . GLY A 1 15 ? -3.911 -2.222 -1.103 1.00 97.73 15 A 1 ATOM 119 C CA . GLY A 1 15 ? -4.958 -3.233 -1.025 1.00 97.59 15 A 1 ATOM 120 C C . GLY A 1 15 ? -6.351 -2.625 -1.019 1.00 97.78 15 A 1 ATOM 121 O O . GLY A 1 15 ? -7.248 -3.102 -1.717 1.00 97.31 15 A 1 ATOM 122 N N . MET A 1 16 ? -6.525 -1.560 -0.253 1.00 97.20 16 A 1 ATOM 123 C CA . MET A 1 16 ? -7.818 -0.877 -0.174 1.00 97.19 16 A 1 ATOM 124 C C . MET A 1 16 ? -8.182 -0.218 -1.505 1.00 97.43 16 A 1 ATOM 125 O O . MET A 1 16 ? -9.325 -0.308 -1.956 1.00 96.37 16 A 1 ATOM 126 C CB . MET A 1 16 ? -7.798 0.168 0.943 1.00 96.20 16 A 1 ATOM 127 C CG . MET A 1 16 ? -7.825 -0.450 2.330 1.00 92.80 16 A 1 ATOM 128 S SD . MET A 1 16 ? -8.212 0.741 3.629 1.00 85.66 16 A 1 ATOM 129 C CE . MET A 1 16 ? -6.735 1.734 3.616 1.00 77.03 16 A 1 ATOM 130 N N . VAL A 1 17 ? -7.206 0.442 -2.123 1.00 97.74 17 A 1 ATOM 131 C CA . VAL A 1 17 ? -7.430 1.100 -3.411 1.00 97.48 17 A 1 ATOM 132 C C . VAL A 1 17 ? -7.749 0.067 -4.491 1.00 97.64 17 A 1 ATOM 133 O O . VAL A 1 17 ? -8.639 0.279 -5.321 1.00 96.93 17 A 1 ATOM 134 C CB . VAL A 1 17 ? -6.209 1.953 -3.813 1.00 96.69 17 A 1 ATOM 135 C CG1 . VAL A 1 17 ? -6.387 2.544 -5.206 1.00 93.04 17 A 1 ATOM 136 C CG2 . VAL A 1 17 ? -5.990 3.078 -2.817 1.00 93.46 17 A 1 ATOM 137 N N . SER A 1 18 ? -7.044 -1.049 -4.471 1.00 97.62 18 A 1 ATOM 138 C CA . SER A 1 18 ? -7.266 -2.128 -5.430 1.00 97.67 18 A 1 ATOM 139 C C . SER A 1 18 ? -8.676 -2.701 -5.298 1.00 97.67 18 A 1 ATOM 140 O O . SER A 1 18 ? -9.324 -3.009 -6.300 1.00 96.67 18 A 1 ATOM 141 C CB . SER A 1 18 ? -6.230 -3.232 -5.232 1.00 96.96 18 A 1 ATOM 142 O OG . SER A 1 18 ? -6.237 -4.119 -6.324 1.00 87.98 18 A 1 ATOM 143 N N . LEU A 1 19 ? -9.151 -2.825 -4.075 1.00 97.69 19 A 1 ATOM 144 C CA . LEU A 1 19 ? -10.502 -3.322 -3.813 1.00 97.31 19 A 1 ATOM 145 C C . LEU A 1 19 ? -11.558 -2.360 -4.347 1.00 97.38 19 A 1 ATOM 146 O O . LEU A 1 19 ? -12.584 -2.790 -4.880 1.00 96.38 19 A 1 ATOM 147 C CB . LEU A 1 19 ? -10.704 -3.538 -2.307 1.00 96.65 19 A 1 ATOM 148 C CG . LEU A 1 19 ? -10.480 -4.975 -1.832 1.00 91.86 19 A 1 ATOM 149 C CD1 . LEU A 1 19 ? -10.398 -5.024 -0.313 1.00 86.80 19 A 1 ATOM 150 C CD2 . LEU A 1 19 ? -11.597 -5.884 -2.321 1.00 87.30 19 A 1 ATOM 151 N N . SER A 1 20 ? -11.306 -1.066 -4.211 1.00 96.49 20 A 1 ATOM 152 C CA . SER A 1 20 ? -12.231 -0.040 -4.684 1.00 96.26 20 A 1 ATOM 153 C C . SER A 1 20 ? -12.308 -0.018 -6.211 1.00 96.27 20 A 1 ATOM 154 O O . SER A 1 20 ? -13.361 0.275 -6.783 1.00 94.34 20 A 1 ATOM 155 C CB . SER A 1 20 ? -11.813 1.333 -4.160 1.00 95.01 20 A 1 ATOM 156 O OG . SER A 1 20 ? -12.901 2.228 -4.205 1.00 85.32 20 A 1 ATOM 157 N N . LEU A 1 21 ? -11.198 -0.326 -6.860 1.00 96.34 21 A 1 ATOM 158 C CA . LEU A 1 21 ? -11.135 -0.343 -8.320 1.00 95.94 21 A 1 ATOM 159 C C . LEU A 1 21 ? -11.677 -1.648 -8.898 1.00 96.04 21 A 1 ATOM 160 O O . LEU A 1 21 ? -12.282 -1.648 -9.976 1.00 94.71 21 A 1 ATOM 161 C CB . LEU A 1 21 ? -9.689 -0.128 -8.778 1.00 94.56 21 A 1 ATOM 162 C CG . LEU A 1 21 ? -9.149 1.285 -8.564 1.00 89.38 21 A 1 ATOM 163 C CD1 . LEU A 1 21 ? -7.636 1.300 -8.731 1.00 83.32 21 A 1 ATOM 164 C CD2 . LEU A 1 21 ? -9.786 2.261 -9.542 1.00 82.58 21 A 1 ATOM 165 N N . ALA A 1 22 ? -11.455 -2.732 -8.193 1.00 91.83 22 A 1 ATOM 166 C CA . ALA A 1 22 ? -11.895 -4.055 -8.632 1.00 90.45 22 A 1 ATOM 167 C C . ALA A 1 22 ? -13.217 -4.424 -7.967 1.00 88.69 22 A 1 ATOM 168 O O . ALA A 1 22 ? -14.055 -5.075 -8.619 1.00 84.81 22 A 1 ATOM 169 C CB . ALA A 1 22 ? -10.817 -5.096 -8.331 1.00 85.63 22 A 1 ATOM 170 O OXT . ALA A 1 22 ? -13.407 -4.085 -6.791 1.00 76.04 22 A 1 #