# 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_spkb30761 # _entry.id spkb30761 # 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" "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" "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" "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 GLU 2 1 n HIS 3 1 n LYS 4 1 n VAL 5 1 n THR 6 1 n CYS 7 1 n VAL 8 1 n LEU 9 1 n ALA 10 1 n MET 11 1 n VAL 12 1 n LEU 13 1 n MET 14 1 n LEU 15 1 n ALA 16 1 n LEU 17 1 n SER 18 1 n SER 19 1 n LEU 20 1 n ALA 21 # _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 12:38:52)" _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 93.37 _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 87.88 1 1 A GLU 2 2 84.42 1 2 A HIS 3 2 88.17 1 3 A LYS 4 2 91.01 1 4 A VAL 5 2 95.62 1 5 A THR 6 2 95.44 1 6 A CYS 7 2 96.97 1 7 A VAL 8 2 97.22 1 8 A LEU 9 2 96.26 1 9 A ALA 10 2 98.14 1 10 A MET 11 2 93.24 1 11 A VAL 12 2 97.66 1 12 A LEU 13 2 95.72 1 13 A MET 14 2 93.84 1 14 A LEU 15 2 95.61 1 15 A ALA 16 2 98.01 1 16 A LEU 17 2 96.00 1 17 A SER 18 2 94.94 1 18 A SER 19 2 93.61 1 19 A LEU 20 2 91.85 1 20 A ALA 21 2 86.53 1 21 # _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 GLU . 2 A 2 A 3 1 n HIS . 3 A 3 A 4 1 n LYS . 4 A 4 A 5 1 n VAL . 5 A 5 A 6 1 n THR . 6 A 6 A 7 1 n CYS . 7 A 7 A 8 1 n VAL . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n ALA . 10 A 10 A 11 1 n MET . 11 A 11 A 12 1 n VAL . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n MET . 14 A 14 A 15 1 n LEU . 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 SER . 19 A 19 A 20 1 n LEU . 20 A 20 A 21 1 n ALA . 21 A 21 # _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 ? -16.373 -3.080 -0.479 1.00 93.89 1 A 1 ATOM 2 C CA . MET A 1 1 ? -15.264 -2.108 -0.494 1.00 95.17 1 A 1 ATOM 3 C C . MET A 1 1 ? -13.889 -2.782 -0.379 1.00 95.46 1 A 1 ATOM 4 O O . MET A 1 1 ? -12.919 -2.138 -0.008 1.00 93.80 1 A 1 ATOM 5 C CB . MET A 1 1 ? -15.455 -1.056 0.611 1.00 92.66 1 A 1 ATOM 6 C CG . MET A 1 1 ? -15.615 -1.644 2.013 1.00 84.40 1 A 1 ATOM 7 S SD . MET A 1 1 ? -16.087 -0.368 3.195 1.00 78.28 1 A 1 ATOM 8 C CE . MET A 1 1 ? -16.322 -1.346 4.656 1.00 69.41 1 A 1 ATOM 9 N N . GLU A 1 2 ? -13.817 -4.061 -0.710 1.00 93.45 2 A 1 ATOM 10 C CA . GLU A 1 2 ? -12.575 -4.838 -0.598 1.00 94.94 2 A 1 ATOM 11 C C . GLU A 1 2 ? -11.486 -4.313 -1.534 1.00 95.15 2 A 1 ATOM 12 O O . GLU A 1 2 ? -10.307 -4.286 -1.179 1.00 92.33 2 A 1 ATOM 13 C CB . GLU A 1 2 ? -12.875 -6.305 -0.909 1.00 91.57 2 A 1 ATOM 14 C CG . GLU A 1 2 ? -13.806 -6.929 0.119 1.00 78.57 2 A 1 ATOM 15 C CD . GLU A 1 2 ? -14.251 -8.308 -0.321 1.00 74.47 2 A 1 ATOM 16 O OE1 . GLU A 1 2 ? -13.579 -9.286 0.028 1.00 67.53 2 A 1 ATOM 17 O OE2 . GLU A 1 2 ? -15.257 -8.380 -1.038 1.00 71.73 2 A 1 ATOM 18 N N . HIS A 1 3 ? -11.878 -3.846 -2.721 1.00 96.09 3 A 1 ATOM 19 C CA . HIS A 1 3 ? -10.935 -3.323 -3.709 1.00 96.94 3 A 1 ATOM 20 C C . HIS A 1 3 ? -10.303 -2.005 -3.248 1.00 97.46 3 A 1 ATOM 21 O O . HIS A 1 3 ? -9.166 -1.697 -3.599 1.00 96.29 3 A 1 ATOM 22 C CB . HIS A 1 3 ? -11.661 -3.143 -5.051 1.00 95.03 3 A 1 ATOM 23 C CG . HIS A 1 3 ? -10.800 -3.500 -6.233 1.00 88.24 3 A 1 ATOM 24 N ND1 . HIS A 1 3 ? -10.927 -2.929 -7.481 1.00 77.36 3 A 1 ATOM 25 C CD2 . HIS A 1 3 ? -9.794 -4.415 -6.319 1.00 76.05 3 A 1 ATOM 26 C CE1 . HIS A 1 3 ? -10.040 -3.481 -8.290 1.00 77.83 3 A 1 ATOM 27 N NE2 . HIS A 1 3 ? -9.328 -4.398 -7.613 1.00 80.42 3 A 1 ATOM 28 N N . LYS A 1 4 ? -11.021 -1.234 -2.435 1.00 94.92 4 A 1 ATOM 29 C CA . LYS A 1 4 ? -10.524 0.040 -1.912 1.00 96.92 4 A 1 ATOM 30 C C . LYS A 1 4 ? -9.407 -0.192 -0.890 1.00 97.35 4 A 1 ATOM 31 O O . LYS A 1 4 ? -8.415 0.531 -0.882 1.00 96.86 4 A 1 ATOM 32 C CB . LYS A 1 4 ? -11.688 0.836 -1.310 1.00 96.56 4 A 1 ATOM 33 C CG . LYS A 1 4 ? -11.510 2.334 -1.485 1.00 91.73 4 A 1 ATOM 34 C CD . LYS A 1 4 ? -12.699 3.105 -0.941 1.00 87.56 4 A 1 ATOM 35 C CE . LYS A 1 4 ? -12.617 4.573 -1.325 1.00 81.49 4 A 1 ATOM 36 N NZ . LYS A 1 4 ? -13.761 5.348 -0.790 1.00 75.73 4 A 1 ATOM 37 N N . VAL A 1 5 ? -9.550 -1.218 -0.058 1.00 96.54 5 A 1 ATOM 38 C CA . VAL A 1 5 ? -8.557 -1.567 0.963 1.00 97.30 5 A 1 ATOM 39 C C . VAL A 1 5 ? -7.250 -2.014 0.307 1.00 97.77 5 A 1 ATOM 40 O O . VAL A 1 5 ? -6.168 -1.587 0.719 1.00 97.47 5 A 1 ATOM 41 C CB . VAL A 1 5 ? -9.100 -2.654 1.906 1.00 96.57 5 A 1 ATOM 42 C CG1 . VAL A 1 5 ? -8.065 -3.036 2.956 1.00 91.53 5 A 1 ATOM 43 C CG2 . VAL A 1 5 ? -10.368 -2.177 2.603 1.00 92.17 5 A 1 ATOM 44 N N . THR A 1 6 ? -7.336 -2.839 -0.729 1.00 97.24 6 A 1 ATOM 45 C CA . THR A 1 6 ? -6.156 -3.304 -1.458 1.00 97.35 6 A 1 ATOM 46 C C . THR A 1 6 ? -5.437 -2.157 -2.163 1.00 97.78 6 A 1 ATOM 47 O O . THR A 1 6 ? -4.204 -2.107 -2.153 1.00 97.56 6 A 1 ATOM 48 C CB . THR A 1 6 ? -6.527 -4.395 -2.473 1.00 96.59 6 A 1 ATOM 49 O OG1 . THR A 1 6 ? -7.759 -4.108 -3.100 1.00 90.93 6 A 1 ATOM 50 C CG2 . THR A 1 6 ? -6.631 -5.748 -1.800 1.00 90.61 6 A 1 ATOM 51 N N . CYS A 1 7 ? -6.171 -1.215 -2.730 1.00 97.44 7 A 1 ATOM 52 C CA . CYS A 1 7 ? -5.580 -0.045 -3.380 1.00 97.74 7 A 1 ATOM 53 C C . CYS A 1 7 ? -4.823 0.833 -2.376 1.00 98.00 7 A 1 ATOM 54 O O . CYS A 1 7 ? -3.711 1.268 -2.650 1.00 97.83 7 A 1 ATOM 55 C CB . CYS A 1 7 ? -6.669 0.769 -4.082 1.00 97.31 7 A 1 ATOM 56 S SG . CYS A 1 7 ? -7.175 0.018 -5.653 1.00 93.48 7 A 1 ATOM 57 N N . VAL A 1 8 ? -5.412 1.065 -1.211 1.00 97.61 8 A 1 ATOM 58 C CA . VAL A 1 8 ? -4.781 1.872 -0.160 1.00 97.98 8 A 1 ATOM 59 C C . VAL A 1 8 ? -3.526 1.175 0.369 1.00 98.23 8 A 1 ATOM 60 O O . VAL A 1 8 ? -2.485 1.812 0.532 1.00 98.07 8 A 1 ATOM 61 C CB . VAL A 1 8 ? -5.778 2.162 0.977 1.00 97.82 8 A 1 ATOM 62 C CG1 . VAL A 1 8 ? -5.097 2.844 2.161 1.00 95.45 8 A 1 ATOM 63 C CG2 . VAL A 1 8 ? -6.905 3.058 0.477 1.00 95.39 8 A 1 ATOM 64 N N . LEU A 1 9 ? -3.607 -0.129 0.601 1.00 98.14 9 A 1 ATOM 65 C CA . LEU A 1 9 ? -2.468 -0.912 1.079 1.00 98.06 9 A 1 ATOM 66 C C . LEU A 1 9 ? -1.311 -0.872 0.080 1.00 98.22 9 A 1 ATOM 67 O O . LEU A 1 9 ? -0.158 -0.672 0.473 1.00 98.27 9 A 1 ATOM 68 C CB . LEU A 1 9 ? -2.916 -2.358 1.324 1.00 97.92 9 A 1 ATOM 69 C CG . LEU A 1 9 ? -1.901 -3.196 2.098 1.00 93.80 9 A 1 ATOM 70 C CD1 . LEU A 1 9 ? -1.928 -2.854 3.583 1.00 92.42 9 A 1 ATOM 71 C CD2 . LEU A 1 9 ? -2.197 -4.679 1.915 1.00 93.25 9 A 1 ATOM 72 N N . ALA A 1 10 ? -1.608 -1.037 -1.201 1.00 98.24 10 A 1 ATOM 73 C CA . ALA A 1 10 ? -0.600 -0.987 -2.258 1.00 98.20 10 A 1 ATOM 74 C C . ALA A 1 10 ? 0.059 0.395 -2.339 1.00 98.38 10 A 1 ATOM 75 O O . ALA A 1 10 ? 1.274 0.498 -2.511 1.00 98.05 10 A 1 ATOM 76 C CB . ALA A 1 10 ? -1.251 -1.359 -3.589 1.00 97.84 10 A 1 ATOM 77 N N . MET A 1 11 ? -0.720 1.449 -2.176 1.00 97.79 11 A 1 ATOM 78 C CA . MET A 1 11 ? -0.219 2.823 -2.214 1.00 97.75 11 A 1 ATOM 79 C C . MET A 1 11 ? 0.713 3.105 -1.032 1.00 98.08 11 A 1 ATOM 80 O O . MET A 1 11 ? 1.782 3.689 -1.203 1.00 97.81 11 A 1 ATOM 81 C CB . MET A 1 11 ? -1.406 3.793 -2.228 1.00 97.42 11 A 1 ATOM 82 C CG . MET A 1 11 ? -1.061 5.116 -2.892 1.00 92.80 11 A 1 ATOM 83 S SD . MET A 1 11 ? -2.505 6.166 -3.117 1.00 86.62 11 A 1 ATOM 84 C CE . MET A 1 11 ? -1.753 7.556 -3.959 1.00 77.64 11 A 1 ATOM 85 N N . VAL A 1 12 ? 0.328 2.656 0.162 1.00 98.16 12 A 1 ATOM 86 C CA . VAL A 1 12 ? 1.145 2.821 1.369 1.00 98.17 12 A 1 ATOM 87 C C . VAL A 1 12 ? 2.454 2.044 1.237 1.00 98.34 12 A 1 ATOM 88 O O . VAL A 1 12 ? 3.519 2.555 1.593 1.00 98.09 12 A 1 ATOM 89 C CB . VAL A 1 12 ? 0.362 2.375 2.620 1.00 97.86 12 A 1 ATOM 90 C CG1 . VAL A 1 12 ? 1.248 2.347 3.862 1.00 96.44 12 A 1 ATOM 91 C CG2 . VAL A 1 12 ? -0.811 3.315 2.874 1.00 96.53 12 A 1 ATOM 92 N N . LEU A 1 13 ? 2.391 0.826 0.703 1.00 98.15 13 A 1 ATOM 93 C CA . LEU A 1 13 ? 3.576 -0.002 0.492 1.00 97.93 13 A 1 ATOM 94 C C . LEU A 1 13 ? 4.538 0.658 -0.497 1.00 98.16 13 A 1 ATOM 95 O O . LEU A 1 13 ? 5.748 0.679 -0.266 1.00 98.05 13 A 1 ATOM 96 C CB . LEU A 1 13 ? 3.142 -1.388 -0.004 1.00 97.59 13 A 1 ATOM 97 C CG . LEU A 1 13 ? 4.276 -2.415 -0.064 1.00 93.09 13 A 1 ATOM 98 C CD1 . LEU A 1 13 ? 4.715 -2.835 1.338 1.00 91.02 13 A 1 ATOM 99 C CD2 . LEU A 1 13 ? 3.828 -3.644 -0.841 1.00 91.77 13 A 1 ATOM 100 N N . MET A 1 14 ? 4.021 1.208 -1.579 1.00 97.97 14 A 1 ATOM 101 C CA . MET A 1 14 ? 4.829 1.911 -2.579 1.00 98.01 14 A 1 ATOM 102 C C . MET A 1 14 ? 5.533 3.126 -1.971 1.00 98.23 14 A 1 ATOM 103 O O . MET A 1 14 ? 6.720 3.341 -2.204 1.00 97.83 14 A 1 ATOM 104 C CB . MET A 1 14 ? 3.939 2.351 -3.748 1.00 97.52 14 A 1 ATOM 105 C CG . MET A 1 14 ? 3.637 1.215 -4.721 1.00 94.72 14 A 1 ATOM 106 S SD . MET A 1 14 ? 4.629 1.323 -6.213 1.00 87.56 14 A 1 ATOM 107 C CE . MET A 1 14 ? 3.714 0.218 -7.300 1.00 78.88 14 A 1 ATOM 108 N N . LEU A 1 15 ? 4.813 3.900 -1.167 1.00 98.12 15 A 1 ATOM 109 C CA . LEU A 1 15 ? 5.377 5.072 -0.505 1.00 97.89 15 A 1 ATOM 110 C C . LEU A 1 15 ? 6.459 4.675 0.501 1.00 98.08 15 A 1 ATOM 111 O O . LEU A 1 15 ? 7.512 5.316 0.563 1.00 97.77 15 A 1 ATOM 112 C CB . LEU A 1 15 ? 4.257 5.856 0.194 1.00 97.62 15 A 1 ATOM 113 C CG . LEU A 1 15 ? 3.308 6.595 -0.758 1.00 93.37 15 A 1 ATOM 114 C CD1 . LEU A 1 15 ? 2.078 7.074 -0.001 1.00 90.71 15 A 1 ATOM 115 C CD2 . LEU A 1 15 ? 3.995 7.786 -1.415 1.00 91.34 15 A 1 ATOM 116 N N . ALA A 1 16 ? 6.215 3.614 1.263 1.00 98.20 16 A 1 ATOM 117 C CA . ALA A 1 16 ? 7.179 3.119 2.244 1.00 98.11 16 A 1 ATOM 118 C C . ALA A 1 16 ? 8.462 2.632 1.562 1.00 98.20 16 A 1 ATOM 119 O O . ALA A 1 16 ? 9.561 2.969 2.004 1.00 97.72 16 A 1 ATOM 120 C CB . ALA A 1 16 ? 6.536 2.006 3.068 1.00 97.80 16 A 1 ATOM 121 N N . LEU A 1 17 ? 8.333 1.878 0.474 1.00 98.10 17 A 1 ATOM 122 C CA . LEU A 1 17 ? 9.482 1.375 -0.276 1.00 97.85 17 A 1 ATOM 123 C C . LEU A 1 17 ? 10.276 2.515 -0.909 1.00 97.88 17 A 1 ATOM 124 O O . LEU A 1 17 ? 11.506 2.507 -0.875 1.00 97.34 17 A 1 ATOM 125 C CB . LEU A 1 17 ? 9.006 0.388 -1.350 1.00 97.45 17 A 1 ATOM 126 C CG . LEU A 1 17 ? 8.560 -0.973 -0.808 1.00 94.83 17 A 1 ATOM 127 C CD1 . LEU A 1 17 ? 7.815 -1.744 -1.888 1.00 92.37 17 A 1 ATOM 128 C CD2 . LEU A 1 17 ? 9.752 -1.791 -0.322 1.00 92.17 17 A 1 ATOM 129 N N . SER A 1 18 ? 9.597 3.510 -1.445 1.00 97.45 18 A 1 ATOM 130 C CA . SER A 1 18 ? 10.240 4.667 -2.070 1.00 97.14 18 A 1 ATOM 131 C C . SER A 1 18 ? 10.966 5.547 -1.050 1.00 97.12 18 A 1 ATOM 132 O O . SER A 1 18 ? 11.925 6.235 -1.401 1.00 95.82 18 A 1 ATOM 133 C CB . SER A 1 18 ? 9.198 5.489 -2.825 1.00 95.90 18 A 1 ATOM 134 O OG . SER A 1 18 ? 9.829 6.455 -3.635 1.00 86.20 18 A 1 ATOM 135 N N . SER A 1 19 ? 10.527 5.539 0.205 1.00 96.27 19 A 1 ATOM 136 C CA . SER A 1 19 ? 11.131 6.343 1.269 1.00 96.04 19 A 1 ATOM 137 C C . SER A 1 19 ? 12.285 5.617 1.962 1.00 95.82 19 A 1 ATOM 138 O O . SER A 1 19 ? 13.222 6.263 2.435 1.00 94.06 19 A 1 ATOM 139 C CB . SER A 1 19 ? 10.064 6.733 2.292 1.00 94.72 19 A 1 ATOM 140 O OG . SER A 1 19 ? 10.529 7.788 3.109 1.00 84.73 19 A 1 ATOM 141 N N . LEU A 1 20 ? 12.225 4.284 2.032 1.00 96.66 20 A 1 ATOM 142 C CA . LEU A 1 20 ? 13.260 3.469 2.677 1.00 96.19 20 A 1 ATOM 143 C C . LEU A 1 20 ? 14.381 3.068 1.721 1.00 96.17 20 A 1 ATOM 144 O O . LEU A 1 20 ? 15.503 2.808 2.168 1.00 94.67 20 A 1 ATOM 145 C CB . LEU A 1 20 ? 12.632 2.222 3.313 1.00 95.30 20 A 1 ATOM 146 C CG . LEU A 1 20 ? 12.319 2.359 4.806 1.00 89.72 20 A 1 ATOM 147 C CD1 . LEU A 1 20 ? 10.975 3.030 5.047 1.00 83.26 20 A 1 ATOM 148 C CD2 . LEU A 1 20 ? 12.336 0.994 5.482 1.00 82.87 20 A 1 ATOM 149 N N . ALA A 1 21 ? 14.095 3.003 0.425 1.00 94.29 21 A 1 ATOM 150 C CA . ALA A 1 21 ? 15.056 2.598 -0.591 1.00 91.53 21 A 1 ATOM 151 C C . ALA A 1 21 ? 15.613 3.795 -1.363 1.00 88.26 21 A 1 ATOM 152 O O . ALA A 1 21 ? 14.878 4.783 -1.554 1.00 83.61 21 A 1 ATOM 153 C CB . ALA A 1 21 ? 14.416 1.579 -1.534 1.00 85.96 21 A 1 ATOM 154 O OXT . ALA A 1 21 ? 16.790 3.715 -1.803 1.00 75.52 21 A 1 #