# 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_spkb30013 # _entry.id spkb30013 # 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" "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" "C5 H11 N O2 S" 149.211 MET y METHIONINE CSCC[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 ARG 2 1 n VAL 3 1 n ILE 4 1 n ARG 5 1 n SER 6 1 n LEU 7 1 n LEU 8 1 n LEU 9 1 n LEU 10 1 n THR 11 1 n ILE 12 1 n ALA 13 1 n ILE 14 1 n ILE 15 1 n GLY 16 1 n SER 17 1 n VAL 18 1 n LEU 19 1 n SER 20 # _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 @ 2025-07-12 07:51:10)" _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 95.26 _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 91.62 1 1 A ARG 2 2 88.10 1 2 A VAL 3 2 97.69 1 3 A ILE 4 2 96.96 1 4 A ARG 5 2 91.22 1 5 A SER 6 2 97.77 1 6 A LEU 7 2 96.68 1 7 A LEU 8 2 96.39 1 8 A LEU 9 2 97.25 1 9 A LEU 10 2 96.17 1 10 A THR 11 2 97.18 1 11 A ILE 12 2 97.05 1 12 A ALA 13 2 98.70 1 13 A ILE 14 2 97.34 1 14 A ILE 15 2 96.71 1 15 A GLY 16 2 98.55 1 16 A SER 17 2 96.47 1 17 A VAL 18 2 97.35 1 18 A LEU 19 2 94.90 1 19 A SER 20 2 89.26 1 20 # _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 ARG . 2 A 2 A 3 1 n VAL . 3 A 3 A 4 1 n ILE . 4 A 4 A 5 1 n ARG . 5 A 5 A 6 1 n SER . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n THR . 11 A 11 A 12 1 n ILE . 12 A 12 A 13 1 n ALA . 13 A 13 A 14 1 n ILE . 14 A 14 A 15 1 n ILE . 15 A 15 A 16 1 n GLY . 16 A 16 A 17 1 n SER . 17 A 17 A 18 1 n VAL . 18 A 18 A 19 1 n LEU . 19 A 19 A 20 1 n SER . 20 A 20 # _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 ? 1.999 -14.986 3.751 1.00 96.59 1 A 1 ATOM 2 C CA . MET A 1 1 ? 2.284 -13.657 4.298 1.00 97.29 1 A 1 ATOM 3 C C . MET A 1 1 ? 2.050 -12.559 3.253 1.00 97.71 1 A 1 ATOM 4 O O . MET A 1 1 ? 2.822 -11.611 3.130 1.00 96.31 1 A 1 ATOM 5 C CB . MET A 1 1 ? 3.722 -13.579 4.812 1.00 95.07 1 A 1 ATOM 6 C CG . MET A 1 1 ? 3.940 -14.397 6.075 1.00 89.78 1 A 1 ATOM 7 S SD . MET A 1 1 ? 3.050 -13.697 7.470 1.00 85.54 1 A 1 ATOM 8 C CE . MET A 1 1 ? 3.508 -14.832 8.765 1.00 74.68 1 A 1 ATOM 9 N N . ARG A 1 2 ? 0.970 -12.722 2.513 1.00 97.04 2 A 1 ATOM 10 C CA . ARG A 1 2 ? 0.603 -11.741 1.490 1.00 97.94 2 A 1 ATOM 11 C C . ARG A 1 2 ? -0.193 -10.590 2.082 1.00 98.44 2 A 1 ATOM 12 O O . ARG A 1 2 ? -0.470 -9.605 1.404 1.00 97.67 2 A 1 ATOM 13 C CB . ARG A 1 2 ? -0.200 -12.420 0.382 1.00 96.76 2 A 1 ATOM 14 C CG . ARG A 1 2 ? 0.666 -13.093 -0.647 1.00 89.31 2 A 1 ATOM 15 C CD . ARG A 1 2 ? 1.388 -12.044 -1.503 1.00 88.28 2 A 1 ATOM 16 N NE . ARG A 1 2 ? 0.460 -11.072 -2.072 1.00 81.50 2 A 1 ATOM 17 C CZ . ARG A 1 2 ? 0.753 -10.273 -3.091 1.00 79.02 2 A 1 ATOM 18 N NH1 . ARG A 1 2 ? 1.932 -10.327 -3.673 1.00 71.82 2 A 1 ATOM 19 N NH2 . ARG A 1 2 ? -0.154 -9.416 -3.534 1.00 71.29 2 A 1 ATOM 20 N N . VAL A 1 3 ? -0.557 -10.737 3.356 1.00 98.44 3 A 1 ATOM 21 C CA . VAL A 1 3 ? -1.355 -9.726 4.044 1.00 98.62 3 A 1 ATOM 22 C C . VAL A 1 3 ? -0.629 -8.385 4.078 1.00 98.70 3 A 1 ATOM 23 O O . VAL A 1 3 ? -1.234 -7.330 3.874 1.00 98.39 3 A 1 ATOM 24 C CB . VAL A 1 3 ? -1.694 -10.165 5.477 1.00 98.27 3 A 1 ATOM 25 C CG1 . VAL A 1 3 ? -2.572 -9.133 6.164 1.00 95.69 3 A 1 ATOM 26 C CG2 . VAL A 1 3 ? -2.366 -11.523 5.476 1.00 95.73 3 A 1 ATOM 27 N N . ILE A 1 4 ? 0.677 -8.449 4.335 1.00 98.47 4 A 1 ATOM 28 C CA . ILE A 1 4 ? 1.490 -7.239 4.413 1.00 98.45 4 A 1 ATOM 29 C C . ILE A 1 4 ? 1.572 -6.547 3.061 1.00 98.52 4 A 1 ATOM 30 O O . ILE A 1 4 ? 1.417 -5.330 2.953 1.00 98.29 4 A 1 ATOM 31 C CB . ILE A 1 4 ? 2.903 -7.556 4.927 1.00 98.28 4 A 1 ATOM 32 C CG1 . ILE A 1 4 ? 2.834 -8.311 6.258 1.00 96.25 4 A 1 ATOM 33 C CG2 . ILE A 1 4 ? 3.712 -6.269 5.079 1.00 95.59 4 A 1 ATOM 34 C CD1 . ILE A 1 4 ? 2.122 -7.537 7.352 1.00 91.81 4 A 1 ATOM 35 N N . ARG A 1 5 ? 1.834 -7.340 2.019 1.00 98.71 5 A 1 ATOM 36 C CA . ARG A 1 5 ? 1.932 -6.805 0.661 1.00 98.70 5 A 1 ATOM 37 C C . ARG A 1 5 ? 0.608 -6.223 0.204 1.00 98.78 5 A 1 ATOM 38 O O . ARG A 1 5 ? 0.559 -5.129 -0.358 1.00 98.63 5 A 1 ATOM 39 C CB . ARG A 1 5 ? 2.387 -7.894 -0.305 1.00 98.40 5 A 1 ATOM 40 C CG . ARG A 1 5 ? 3.884 -8.054 -0.368 1.00 93.77 5 A 1 ATOM 41 C CD . ARG A 1 5 ? 4.563 -6.768 -0.846 1.00 91.54 5 A 1 ATOM 42 N NE . ARG A 1 5 ? 3.904 -6.187 -2.020 1.00 86.51 5 A 1 ATOM 43 C CZ . ARG A 1 5 ? 4.249 -5.025 -2.564 1.00 84.41 5 A 1 ATOM 44 N NH1 . ARG A 1 5 ? 5.239 -4.316 -2.059 1.00 77.62 5 A 1 ATOM 45 N NH2 . ARG A 1 5 ? 3.591 -4.572 -3.619 1.00 76.35 5 A 1 ATOM 46 N N . SER A 1 6 ? -0.467 -6.955 0.457 1.00 98.74 6 A 1 ATOM 47 C CA . SER A 1 6 ? -1.801 -6.506 0.075 1.00 98.75 6 A 1 ATOM 48 C C . SER A 1 6 ? -2.179 -5.235 0.823 1.00 98.83 6 A 1 ATOM 49 O O . SER A 1 6 ? -2.740 -4.305 0.243 1.00 98.69 6 A 1 ATOM 50 C CB . SER A 1 6 ? -2.831 -7.595 0.358 1.00 98.54 6 A 1 ATOM 51 O OG . SER A 1 6 ? -2.537 -8.760 -0.392 1.00 93.07 6 A 1 ATOM 52 N N . LEU A 1 7 ? -1.836 -5.205 2.106 1.00 98.70 7 A 1 ATOM 53 C CA . LEU A 1 7 ? -2.108 -4.042 2.941 1.00 98.73 7 A 1 ATOM 54 C C . LEU A 1 7 ? -1.295 -2.842 2.480 1.00 98.84 7 A 1 ATOM 55 O O . LEU A 1 7 ? -1.780 -1.710 2.499 1.00 98.76 7 A 1 ATOM 56 C CB . LEU A 1 7 ? -1.790 -4.362 4.399 1.00 98.57 7 A 1 ATOM 57 C CG . LEU A 1 7 ? -2.165 -3.264 5.391 1.00 94.72 7 A 1 ATOM 58 C CD1 . LEU A 1 7 ? -3.676 -3.084 5.454 1.00 92.02 7 A 1 ATOM 59 C CD2 . LEU A 1 7 ? -1.614 -3.589 6.771 1.00 93.07 7 A 1 ATOM 60 N N . LEU A 1 8 ? -0.058 -3.105 2.072 1.00 98.65 8 A 1 ATOM 61 C CA . LEU A 1 8 ? 0.833 -2.058 1.594 1.00 98.69 8 A 1 ATOM 62 C C . LEU A 1 8 ? 0.270 -1.392 0.346 1.00 98.80 8 A 1 ATOM 63 O O . LEU A 1 8 ? 0.231 -0.166 0.249 1.00 98.78 8 A 1 ATOM 64 C CB . LEU A 1 8 ? 2.217 -2.633 1.297 1.00 98.59 8 A 1 ATOM 65 C CG . LEU A 1 8 ? 3.268 -1.597 0.902 1.00 93.73 8 A 1 ATOM 66 C CD1 . LEU A 1 8 ? 3.584 -0.677 2.073 1.00 91.04 8 A 1 ATOM 67 C CD2 . LEU A 1 8 ? 4.536 -2.281 0.416 1.00 92.88 8 A 1 ATOM 68 N N . LEU A 1 9 ? -0.162 -2.205 -0.601 1.00 98.71 9 A 1 ATOM 69 C CA . LEU A 1 9 ? -0.745 -1.684 -1.833 1.00 98.74 9 A 1 ATOM 70 C C . LEU A 1 9 ? -2.029 -0.917 -1.549 1.00 98.80 9 A 1 ATOM 71 O O . LEU A 1 9 ? -2.299 0.118 -2.169 1.00 98.71 9 A 1 ATOM 72 C CB . LEU A 1 9 ? -1.031 -2.834 -2.801 1.00 98.62 9 A 1 ATOM 73 C CG . LEU A 1 9 ? 0.214 -3.501 -3.374 1.00 96.46 9 A 1 ATOM 74 C CD1 . LEU A 1 9 ? -0.150 -4.777 -4.118 1.00 94.03 9 A 1 ATOM 75 C CD2 . LEU A 1 9 ? 0.945 -2.546 -4.313 1.00 93.95 9 A 1 ATOM 76 N N . LEU A 1 10 ? -2.797 -1.427 -0.605 1.00 98.72 10 A 1 ATOM 77 C CA . LEU A 1 10 ? -4.051 -0.794 -0.223 1.00 98.66 10 A 1 ATOM 78 C C . LEU A 1 10 ? -3.806 0.552 0.444 1.00 98.77 10 A 1 ATOM 79 O O . LEU A 1 10 ? -4.492 1.531 0.145 1.00 98.62 10 A 1 ATOM 80 C CB . LEU A 1 10 ? -4.835 -1.713 0.716 1.00 98.44 10 A 1 ATOM 81 C CG . LEU A 1 10 ? -6.252 -1.246 1.032 1.00 93.83 10 A 1 ATOM 82 C CD1 . LEU A 1 10 ? -7.125 -1.280 -0.215 1.00 90.57 10 A 1 ATOM 83 C CD2 . LEU A 1 10 ? -6.863 -2.110 2.122 1.00 91.74 10 A 1 ATOM 84 N N . THR A 1 11 ? -2.824 0.597 1.337 1.00 98.67 11 A 1 ATOM 85 C CA . THR A 1 11 ? -2.515 1.828 2.051 1.00 98.69 11 A 1 ATOM 86 C C . THR A 1 11 ? -1.976 2.888 1.096 1.00 98.75 11 A 1 ATOM 87 O O . THR A 1 11 ? -2.256 4.073 1.257 1.00 98.46 11 A 1 ATOM 88 C CB . THR A 1 11 ? -1.529 1.587 3.211 1.00 98.43 11 A 1 ATOM 89 O OG1 . THR A 1 11 ? -1.470 2.756 4.034 1.00 94.51 11 A 1 ATOM 90 C CG2 . THR A 1 11 ? -0.140 1.268 2.722 1.00 92.72 11 A 1 ATOM 91 N N . ILE A 1 12 ? -1.217 2.458 0.096 1.00 98.59 12 A 1 ATOM 92 C CA . ILE A 1 12 ? -0.697 3.370 -0.916 1.00 98.51 12 A 1 ATOM 93 C C . ILE A 1 12 ? -1.847 4.014 -1.680 1.00 98.56 12 A 1 ATOM 94 O O . ILE A 1 12 ? -1.822 5.214 -1.972 1.00 98.30 12 A 1 ATOM 95 C CB . ILE A 1 12 ? 0.244 2.647 -1.893 1.00 98.27 12 A 1 ATOM 96 C CG1 . ILE A 1 12 ? 1.523 2.214 -1.179 1.00 96.40 12 A 1 ATOM 97 C CG2 . ILE A 1 12 ? 0.593 3.548 -3.077 1.00 95.90 12 A 1 ATOM 98 C CD1 . ILE A 1 12 ? 2.362 1.233 -1.976 1.00 91.86 12 A 1 ATOM 99 N N . ALA A 1 13 ? -2.842 3.217 -2.000 1.00 98.83 13 A 1 ATOM 100 C CA . ALA A 1 13 ? -4.020 3.714 -2.701 1.00 98.79 13 A 1 ATOM 101 C C . ALA A 1 13 ? -4.776 4.733 -1.854 1.00 98.80 13 A 1 ATOM 102 O O . ALA A 1 13 ? -5.250 5.750 -2.369 1.00 98.48 13 A 1 ATOM 103 C CB . ALA A 1 13 ? -4.936 2.552 -3.073 1.00 98.60 13 A 1 ATOM 104 N N . ILE A 1 14 ? -4.870 4.455 -0.562 1.00 98.64 14 A 1 ATOM 105 C CA . ILE A 1 14 ? -5.545 5.349 0.367 1.00 98.55 14 A 1 ATOM 106 C C . ILE A 1 14 ? -4.793 6.668 0.482 1.00 98.58 14 A 1 ATOM 107 O O . ILE A 1 14 ? -5.387 7.746 0.383 1.00 98.25 14 A 1 ATOM 108 C CB . ILE A 1 14 ? -5.682 4.701 1.756 1.00 98.34 14 A 1 ATOM 109 C CG1 . ILE A 1 14 ? -6.547 3.443 1.676 1.00 96.76 14 A 1 ATOM 110 C CG2 . ILE A 1 14 ? -6.278 5.697 2.747 1.00 96.76 14 A 1 ATOM 111 C CD1 . ILE A 1 14 ? -6.511 2.596 2.928 1.00 92.80 14 A 1 ATOM 112 N N . ILE A 1 15 ? -3.485 6.569 0.684 1.00 98.52 15 A 1 ATOM 113 C CA . ILE A 1 15 ? -2.641 7.754 0.800 1.00 98.35 15 A 1 ATOM 114 C C . ILE A 1 15 ? -2.694 8.574 -0.483 1.00 98.36 15 A 1 ATOM 115 O O . ILE A 1 15 ? -2.772 9.803 -0.448 1.00 97.90 15 A 1 ATOM 116 C CB . ILE A 1 15 ? -1.185 7.365 1.118 1.00 97.97 15 A 1 ATOM 117 C CG1 . ILE A 1 15 ? -1.101 6.678 2.481 1.00 95.73 15 A 1 ATOM 118 C CG2 . ILE A 1 15 ? -0.284 8.592 1.086 1.00 95.67 15 A 1 ATOM 119 C CD1 . ILE A 1 15 ? 0.226 5.993 2.736 1.00 91.15 15 A 1 ATOM 120 N N . GLY A 1 16 ? -2.645 7.888 -1.610 1.00 98.71 16 A 1 ATOM 121 C CA . GLY A 1 16 ? -2.716 8.553 -2.903 1.00 98.57 16 A 1 ATOM 122 C C . GLY A 1 16 ? -4.021 9.296 -3.093 1.00 98.61 16 A 1 ATOM 123 O O . GLY A 1 16 ? -4.048 10.385 -3.670 1.00 98.29 16 A 1 ATOM 124 N N . SER A 1 17 ? -5.102 8.718 -2.604 1.00 98.80 17 A 1 ATOM 125 C CA . SER A 1 17 ? -6.422 9.330 -2.694 1.00 98.74 17 A 1 ATOM 126 C C . SER A 1 17 ? -6.506 10.589 -1.841 1.00 98.78 17 A 1 ATOM 127 O O . SER A 1 17 ? -7.061 11.602 -2.266 1.00 98.22 17 A 1 ATOM 128 C CB . SER A 1 17 ? -7.502 8.340 -2.262 1.00 98.32 17 A 1 ATOM 129 O OG . SER A 1 17 ? -8.780 8.896 -2.443 1.00 85.99 17 A 1 ATOM 130 N N . VAL A 1 18 ? -5.941 10.513 -0.634 1.00 98.62 18 A 1 ATOM 131 C CA . VAL A 1 18 ? -5.947 11.645 0.292 1.00 98.56 18 A 1 ATOM 132 C C . VAL A 1 18 ? -5.021 12.753 -0.192 1.00 98.59 18 A 1 ATOM 133 O O . VAL A 1 18 ? -5.341 13.939 -0.087 1.00 98.00 18 A 1 ATOM 134 C CB . VAL A 1 18 ? -5.527 11.204 1.705 1.00 98.10 18 A 1 ATOM 135 C CG1 . VAL A 1 18 ? -5.471 12.393 2.651 1.00 94.58 18 A 1 ATOM 136 C CG2 . VAL A 1 18 ? -6.476 10.152 2.238 1.00 95.03 18 A 1 ATOM 137 N N . LEU A 1 19 ? -3.867 12.345 -0.714 1.00 98.11 19 A 1 ATOM 138 C CA . LEU A 1 19 ? -2.868 13.293 -1.190 1.00 97.83 19 A 1 ATOM 139 C C . LEU A 1 19 ? -3.369 14.045 -2.415 1.00 97.73 19 A 1 ATOM 140 O O . LEU A 1 19 ? -3.125 15.246 -2.567 1.00 96.51 19 A 1 ATOM 141 C CB . LEU A 1 19 ? -1.559 12.557 -1.498 1.00 97.15 19 A 1 ATOM 142 C CG . LEU A 1 19 ? -0.323 13.444 -1.623 1.00 94.14 19 A 1 ATOM 143 C CD1 . LEU A 1 19 ? 0.927 12.651 -1.264 1.00 89.81 19 A 1 ATOM 144 C CD2 . LEU A 1 19 ? -0.183 14.010 -3.025 1.00 87.90 19 A 1 ATOM 145 N N . SER A 1 20 ? -4.069 13.345 -3.288 1.00 96.31 20 A 1 ATOM 146 C CA . SER A 1 20 ? -4.602 13.930 -4.513 1.00 94.53 20 A 1 ATOM 147 C C . SER A 1 20 ? -5.760 14.877 -4.195 1.00 91.61 20 A 1 ATOM 148 O O . SER A 1 20 ? -5.661 16.075 -4.492 1.00 83.78 20 A 1 ATOM 149 C CB . SER A 1 20 ? -5.054 12.841 -5.481 1.00 90.78 20 A 1 ATOM 150 O OG . SER A 1 20 ? -5.556 13.424 -6.672 1.00 82.86 20 A 1 ATOM 151 O OXT . SER A 1 20 ? -6.765 14.407 -3.679 1.00 84.92 20 A 1 #