# 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_spkb32514 # _entry.id spkb32514 # 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" "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" "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" "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 LYS 2 1 n LEU 3 1 n HIS 4 1 n HIS 5 1 n CYS 6 1 n LEU 7 1 n SER 8 1 n PHE 9 1 n LEU 10 1 n LEU 11 1 n VAL 12 1 n VAL 13 1 n THR 14 1 n LEU 15 1 n VAL 16 1 n PRO 17 1 n ALA 18 1 n ALA 19 1 n LEU 20 1 n SER 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 @ 2025-07-11 22:44:03)" _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 88.27 _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 80.50 1 1 A LYS 2 2 81.68 1 2 A LEU 3 2 85.61 1 3 A HIS 4 2 82.82 1 4 A HIS 5 2 84.48 1 5 A CYS 6 2 91.51 1 6 A LEU 7 2 88.27 1 7 A SER 8 2 91.03 1 8 A PHE 9 2 89.75 1 9 A LEU 10 2 89.45 1 10 A LEU 11 2 89.23 1 11 A VAL 12 2 91.70 1 12 A VAL 13 2 92.93 1 13 A THR 14 2 92.07 1 14 A LEU 15 2 89.02 1 15 A VAL 16 2 90.57 1 16 A PRO 17 2 94.21 1 17 A ALA 18 2 95.60 1 18 A ALA 19 2 95.20 1 19 A LEU 20 2 85.83 1 20 A SER 21 2 83.58 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 LYS . 2 A 2 A 3 1 n LEU . 3 A 3 A 4 1 n HIS . 4 A 4 A 5 1 n HIS . 5 A 5 A 6 1 n CYS . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n SER . 8 A 8 A 9 1 n PHE . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n VAL . 12 A 12 A 13 1 n VAL . 13 A 13 A 14 1 n THR . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n VAL . 16 A 16 A 17 1 n PRO . 17 A 17 A 18 1 n ALA . 18 A 18 A 19 1 n ALA . 19 A 19 A 20 1 n LEU . 20 A 20 A 21 1 n SER . 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 ? -10.637 -8.004 -0.426 1.00 86.76 1 A 1 ATOM 2 C CA . MET A 1 1 ? -10.233 -7.501 0.896 1.00 88.79 1 A 1 ATOM 3 C C . MET A 1 1 ? -11.295 -6.572 1.455 1.00 89.67 1 A 1 ATOM 4 O O . MET A 1 1 ? -12.066 -5.982 0.702 1.00 86.68 1 A 1 ATOM 5 C CB . MET A 1 1 ? -8.907 -6.742 0.815 1.00 83.90 1 A 1 ATOM 6 C CG . MET A 1 1 ? -7.726 -7.669 0.577 1.00 77.47 1 A 1 ATOM 7 S SD . MET A 1 1 ? -6.173 -6.768 0.446 1.00 69.69 1 A 1 ATOM 8 C CE . MET A 1 1 ? -5.020 -8.130 0.426 1.00 61.06 1 A 1 ATOM 9 N N . LYS A 1 2 ? -11.336 -6.438 2.774 1.00 89.33 2 A 1 ATOM 10 C CA . LYS A 1 2 ? -12.279 -5.528 3.418 1.00 91.19 2 A 1 ATOM 11 C C . LYS A 1 2 ? -11.895 -4.080 3.105 1.00 90.90 2 A 1 ATOM 12 O O . LYS A 1 2 ? -10.733 -3.790 2.817 1.00 89.66 2 A 1 ATOM 13 C CB . LYS A 1 2 ? -12.296 -5.767 4.929 1.00 87.62 2 A 1 ATOM 14 C CG . LYS A 1 2 ? -12.856 -7.133 5.302 1.00 78.30 2 A 1 ATOM 15 C CD . LYS A 1 2 ? -12.867 -7.334 6.805 1.00 75.81 2 A 1 ATOM 16 C CE . LYS A 1 2 ? -13.433 -8.695 7.169 1.00 68.94 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? -13.399 -8.934 8.633 1.00 63.34 2 A 1 ATOM 18 N N . LEU A 1 3 ? -12.867 -3.181 3.168 1.00 91.13 3 A 1 ATOM 19 C CA . LEU A 1 3 ? -12.640 -1.769 2.846 1.00 91.82 3 A 1 ATOM 20 C C . LEU A 1 3 ? -11.523 -1.174 3.699 1.00 92.57 3 A 1 ATOM 21 O O . LEU A 1 3 ? -10.651 -0.470 3.189 1.00 90.93 3 A 1 ATOM 22 C CB . LEU A 1 3 ? -13.930 -0.970 3.055 1.00 89.86 3 A 1 ATOM 23 C CG . LEU A 1 3 ? -15.039 -1.308 2.056 1.00 79.52 3 A 1 ATOM 24 C CD1 . LEU A 1 3 ? -16.341 -0.638 2.476 1.00 74.90 3 A 1 ATOM 25 C CD2 . LEU A 1 3 ? -14.653 -0.855 0.653 1.00 74.15 3 A 1 ATOM 26 N N . HIS A 1 4 ? -11.539 -1.479 4.998 1.00 90.63 4 A 1 ATOM 27 C CA . HIS A 1 4 ? -10.525 -0.967 5.921 1.00 91.55 4 A 1 ATOM 28 C C . HIS A 1 4 ? -9.143 -1.498 5.559 1.00 92.29 4 A 1 ATOM 29 O O . HIS A 1 4 ? -8.150 -0.770 5.591 1.00 91.31 4 A 1 ATOM 30 C CB . HIS A 1 4 ? -10.880 -1.355 7.355 1.00 90.41 4 A 1 ATOM 31 C CG . HIS A 1 4 ? -10.210 -0.474 8.375 1.00 81.98 4 A 1 ATOM 32 N ND1 . HIS A 1 4 ? -9.085 -0.830 9.071 1.00 70.39 4 A 1 ATOM 33 C CD2 . HIS A 1 4 ? -10.541 0.770 8.797 1.00 70.93 4 A 1 ATOM 34 C CE1 . HIS A 1 4 ? -8.753 0.171 9.887 1.00 72.79 4 A 1 ATOM 35 N NE2 . HIS A 1 4 ? -9.616 1.157 9.748 1.00 75.93 4 A 1 ATOM 36 N N . HIS A 1 5 ? -9.071 -2.773 5.180 1.00 91.05 5 A 1 ATOM 37 C CA . HIS A 1 5 ? -7.812 -3.398 4.782 1.00 91.97 5 A 1 ATOM 38 C C . HIS A 1 5 ? -7.361 -2.859 3.430 1.00 93.37 5 A 1 ATOM 39 O O . HIS A 1 5 ? -6.166 -2.708 3.176 1.00 91.94 5 A 1 ATOM 40 C CB . HIS A 1 5 ? -7.976 -4.917 4.719 1.00 90.61 5 A 1 ATOM 41 C CG . HIS A 1 5 ? -6.693 -5.650 4.981 1.00 83.38 5 A 1 ATOM 42 N ND1 . HIS A 1 5 ? -5.807 -6.020 3.997 1.00 72.94 5 A 1 ATOM 43 C CD2 . HIS A 1 5 ? -6.162 -6.077 6.150 1.00 74.51 5 A 1 ATOM 44 C CE1 . HIS A 1 5 ? -4.781 -6.646 4.556 1.00 76.09 5 A 1 ATOM 45 N NE2 . HIS A 1 5 ? -4.966 -6.700 5.866 1.00 78.91 5 A 1 ATOM 46 N N . CYS A 1 6 ? -8.319 -2.564 2.561 1.00 93.06 6 A 1 ATOM 47 C CA . CYS A 1 6 ? -8.036 -2.014 1.244 1.00 93.94 6 A 1 ATOM 48 C C . CYS A 1 6 ? -7.394 -0.633 1.349 1.00 94.74 6 A 1 ATOM 49 O O . CYS A 1 6 ? -6.458 -0.324 0.612 1.00 93.62 6 A 1 ATOM 50 C CB . CYS A 1 6 ? -9.323 -1.933 0.425 1.00 92.95 6 A 1 ATOM 51 S SG . CYS A 1 6 ? -9.001 -1.449 -1.290 1.00 80.74 6 A 1 ATOM 52 N N . LEU A 1 7 ? -7.873 0.176 2.270 1.00 92.11 7 A 1 ATOM 53 C CA . LEU A 1 7 ? -7.316 1.509 2.484 1.00 92.26 7 A 1 ATOM 54 C C . LEU A 1 7 ? -5.853 1.422 2.899 1.00 93.47 7 A 1 ATOM 55 O O . LEU A 1 7 ? -5.000 2.110 2.341 1.00 93.29 7 A 1 ATOM 56 C CB . LEU A 1 7 ? -8.119 2.250 3.553 1.00 91.44 7 A 1 ATOM 57 C CG . LEU A 1 7 ? -9.514 2.681 3.104 1.00 83.96 7 A 1 ATOM 58 C CD1 . LEU A 1 7 ? -10.319 3.184 4.294 1.00 79.68 7 A 1 ATOM 59 C CD2 . LEU A 1 7 ? -9.428 3.767 2.041 1.00 79.94 7 A 1 ATOM 60 N N . SER A 1 8 ? -5.559 0.560 3.866 1.00 92.56 8 A 1 ATOM 61 C CA . SER A 1 8 ? -4.189 0.355 4.327 1.00 93.23 8 A 1 ATOM 62 C C . SER A 1 8 ? -3.332 -0.239 3.215 1.00 94.05 8 A 1 ATOM 63 O O . SER A 1 8 ? -2.179 0.145 3.032 1.00 93.42 8 A 1 ATOM 64 C CB . SER A 1 8 ? -4.169 -0.567 5.539 1.00 91.87 8 A 1 ATOM 65 O OG . SER A 1 8 ? -4.937 -0.017 6.591 1.00 81.05 8 A 1 ATOM 66 N N . PHE A 1 9 ? -3.907 -1.170 2.462 1.00 91.39 9 A 1 ATOM 67 C CA . PHE A 1 9 ? -3.218 -1.816 1.352 1.00 91.87 9 A 1 ATOM 68 C C . PHE A 1 9 ? -2.845 -0.801 0.275 1.00 93.18 9 A 1 ATOM 69 O O . PHE A 1 9 ? -1.716 -0.800 -0.218 1.00 92.59 9 A 1 ATOM 70 C CB . PHE A 1 9 ? -4.108 -2.915 0.768 1.00 92.22 9 A 1 ATOM 71 C CG . PHE A 1 9 ? -3.476 -3.634 -0.398 1.00 90.89 9 A 1 ATOM 72 C CD1 . PHE A 1 9 ? -2.499 -4.599 -0.188 1.00 87.91 9 A 1 ATOM 73 C CD2 . PHE A 1 9 ? -3.868 -3.341 -1.696 1.00 88.15 9 A 1 ATOM 74 C CE1 . PHE A 1 9 ? -1.916 -5.263 -1.260 1.00 86.27 9 A 1 ATOM 75 C CE2 . PHE A 1 9 ? -3.283 -4.002 -2.777 1.00 86.01 9 A 1 ATOM 76 C CZ . PHE A 1 9 ? -2.308 -4.959 -2.556 1.00 86.82 9 A 1 ATOM 77 N N . LEU A 1 10 ? -3.776 0.069 -0.083 1.00 92.95 10 A 1 ATOM 78 C CA . LEU A 1 10 ? -3.527 1.093 -1.094 1.00 92.87 10 A 1 ATOM 79 C C . LEU A 1 10 ? -2.405 2.033 -0.664 1.00 93.81 10 A 1 ATOM 80 O O . LEU A 1 10 ? -1.564 2.413 -1.479 1.00 93.39 10 A 1 ATOM 81 C CB . LEU A 1 10 ? -4.807 1.893 -1.355 1.00 92.61 10 A 1 ATOM 82 C CG . LEU A 1 10 ? -5.875 1.130 -2.135 1.00 85.05 10 A 1 ATOM 83 C CD1 . LEU A 1 10 ? -7.188 1.909 -2.128 1.00 81.72 10 A 1 ATOM 84 C CD2 . LEU A 1 10 ? -5.430 0.882 -3.569 1.00 83.19 10 A 1 ATOM 85 N N . LEU A 1 11 ? -2.378 2.389 0.604 1.00 93.88 11 A 1 ATOM 86 C CA . LEU A 1 11 ? -1.331 3.251 1.140 1.00 93.40 11 A 1 ATOM 87 C C . LEU A 1 11 ? 0.028 2.574 1.028 1.00 94.32 11 A 1 ATOM 88 O O . LEU A 1 11 ? 0.995 3.180 0.566 1.00 93.35 11 A 1 ATOM 89 C CB . LEU A 1 11 ? -1.631 3.596 2.602 1.00 92.75 11 A 1 ATOM 90 C CG . LEU A 1 11 ? -2.805 4.560 2.792 1.00 84.79 11 A 1 ATOM 91 C CD1 . LEU A 1 11 ? -3.171 4.652 4.271 1.00 79.97 11 A 1 ATOM 92 C CD2 . LEU A 1 11 ? -2.463 5.944 2.256 1.00 81.37 11 A 1 ATOM 93 N N . VAL A 1 12 ? 0.109 1.312 1.430 1.00 93.70 12 A 1 ATOM 94 C CA . VAL A 1 12 ? 1.359 0.557 1.371 1.00 93.28 12 A 1 ATOM 95 C C . VAL A 1 12 ? 1.809 0.363 -0.075 1.00 93.99 12 A 1 ATOM 96 O O . VAL A 1 12 ? 2.983 0.552 -0.397 1.00 92.60 12 A 1 ATOM 97 C CB . VAL A 1 12 ? 1.210 -0.805 2.072 1.00 92.11 12 A 1 ATOM 98 C CG1 . VAL A 1 12 ? 2.466 -1.651 1.888 1.00 87.69 12 A 1 ATOM 99 C CG2 . VAL A 1 12 ? 0.940 -0.603 3.555 1.00 88.55 12 A 1 ATOM 100 N N . VAL A 1 13 ? 0.884 -0.001 -0.950 1.00 95.33 13 A 1 ATOM 101 C CA . VAL A 1 13 ? 1.188 -0.227 -2.361 1.00 94.94 13 A 1 ATOM 102 C C . VAL A 1 13 ? 1.672 1.052 -3.038 1.00 95.30 13 A 1 ATOM 103 O O . VAL A 1 13 ? 2.446 0.999 -3.997 1.00 93.52 13 A 1 ATOM 104 C CB . VAL A 1 13 ? -0.043 -0.789 -3.096 1.00 93.64 13 A 1 ATOM 105 C CG1 . VAL A 1 13 ? 0.159 -0.821 -4.609 1.00 88.68 13 A 1 ATOM 106 C CG2 . VAL A 1 13 ? -0.331 -2.199 -2.605 1.00 89.07 13 A 1 ATOM 107 N N . THR A 1 14 ? 1.244 2.192 -2.553 1.00 95.16 14 A 1 ATOM 108 C CA . THR A 1 14 ? 1.679 3.471 -3.103 1.00 95.05 14 A 1 ATOM 109 C C . THR A 1 14 ? 3.009 3.905 -2.488 1.00 95.18 14 A 1 ATOM 110 O O . THR A 1 14 ? 3.879 4.438 -3.184 1.00 92.85 14 A 1 ATOM 111 C CB . THR A 1 14 ? 0.618 4.554 -2.858 1.00 93.74 14 A 1 ATOM 112 O OG1 . THR A 1 14 ? -0.634 4.145 -3.409 1.00 87.02 14 A 1 ATOM 113 C CG2 . THR A 1 14 ? 1.025 5.867 -3.517 1.00 85.49 14 A 1 ATOM 114 N N . LEU A 1 15 ? 3.176 3.674 -1.196 1.00 94.33 15 A 1 ATOM 115 C CA . LEU A 1 15 ? 4.374 4.095 -0.479 1.00 93.69 15 A 1 ATOM 116 C C . LEU A 1 15 ? 5.585 3.228 -0.806 1.00 94.38 15 A 1 ATOM 117 O O . LEU A 1 15 ? 6.693 3.745 -0.958 1.00 92.53 15 A 1 ATOM 118 C CB . LEU A 1 15 ? 4.115 4.076 1.033 1.00 92.11 15 A 1 ATOM 119 C CG . LEU A 1 15 ? 3.162 5.166 1.533 1.00 84.71 15 A 1 ATOM 120 C CD1 . LEU A 1 15 ? 2.754 4.888 2.977 1.00 80.18 15 A 1 ATOM 121 C CD2 . LEU A 1 15 ? 3.813 6.538 1.429 1.00 80.24 15 A 1 ATOM 122 N N . VAL A 1 16 ? 5.390 1.916 -0.919 1.00 93.06 16 A 1 ATOM 123 C CA . VAL A 1 16 ? 6.493 0.989 -1.183 1.00 92.49 16 A 1 ATOM 124 C C . VAL A 1 16 ? 7.223 1.305 -2.494 1.00 93.96 16 A 1 ATOM 125 O O . VAL A 1 16 ? 8.443 1.491 -2.476 1.00 93.11 16 A 1 ATOM 126 C CB . VAL A 1 16 ? 6.005 -0.473 -1.140 1.00 90.42 16 A 1 ATOM 127 C CG1 . VAL A 1 16 ? 7.069 -1.425 -1.665 1.00 84.82 16 A 1 ATOM 128 C CG2 . VAL A 1 16 ? 5.638 -0.857 0.284 1.00 86.12 16 A 1 ATOM 129 N N . PRO A 1 17 ? 6.523 1.375 -3.638 1.00 95.02 17 A 1 ATOM 130 C CA . PRO A 1 17 ? 7.203 1.703 -4.899 1.00 95.14 17 A 1 ATOM 131 C C . PRO A 1 17 ? 7.718 3.134 -4.923 1.00 95.76 17 A 1 ATOM 132 O O . PRO A 1 17 ? 8.769 3.400 -5.505 1.00 94.62 17 A 1 ATOM 133 C CB . PRO A 1 17 ? 6.124 1.489 -5.968 1.00 93.26 17 A 1 ATOM 134 C CG . PRO A 1 17 ? 4.835 1.632 -5.238 1.00 91.53 17 A 1 ATOM 135 C CD . PRO A 1 17 ? 5.106 1.107 -3.848 1.00 94.12 17 A 1 ATOM 136 N N . ALA A 1 18 ? 7.008 4.058 -4.289 1.00 96.15 18 A 1 ATOM 137 C CA . ALA A 1 18 ? 7.428 5.455 -4.220 1.00 95.81 18 A 1 ATOM 138 C C . ALA A 1 18 ? 8.712 5.600 -3.406 1.00 96.52 18 A 1 ATOM 139 O O . ALA A 1 18 ? 9.600 6.373 -3.765 1.00 95.31 18 A 1 ATOM 140 C CB . ALA A 1 18 ? 6.318 6.312 -3.614 1.00 94.19 18 A 1 ATOM 141 N N . ALA A 1 19 ? 8.813 4.851 -2.310 1.00 95.90 19 A 1 ATOM 142 C CA . ALA A 1 19 ? 9.989 4.889 -1.452 1.00 95.53 19 A 1 ATOM 143 C C . ALA A 1 19 ? 11.160 4.151 -2.096 1.00 95.83 19 A 1 ATOM 144 O O . ALA A 1 19 ? 12.318 4.531 -1.915 1.00 94.30 19 A 1 ATOM 145 C CB . ALA A 1 19 ? 9.664 4.281 -0.088 1.00 94.43 19 A 1 ATOM 146 N N . LEU A 1 20 ? 10.866 3.100 -2.848 1.00 94.83 20 A 1 ATOM 147 C CA . LEU A 1 20 ? 11.886 2.305 -3.517 1.00 92.85 20 A 1 ATOM 148 C C . LEU A 1 20 ? 12.482 3.049 -4.705 1.00 91.75 20 A 1 ATOM 149 O O . LEU A 1 20 ? 13.672 2.907 -5.004 1.00 88.17 20 A 1 ATOM 150 C CB . LEU A 1 20 ? 11.275 0.977 -3.973 1.00 90.34 20 A 1 ATOM 151 C CG . LEU A 1 20 ? 12.266 -0.007 -4.577 1.00 81.15 20 A 1 ATOM 152 C CD1 . LEU A 1 20 ? 13.309 -0.437 -3.554 1.00 74.40 20 A 1 ATOM 153 C CD2 . LEU A 1 20 ? 11.531 -1.232 -5.116 1.00 73.15 20 A 1 ATOM 154 N N . SER A 1 21 ? 11.663 3.833 -5.374 1.00 92.35 21 A 1 ATOM 155 C CA . SER A 1 21 ? 12.088 4.599 -6.544 1.00 90.75 21 A 1 ATOM 156 C C . SER A 1 21 ? 12.936 5.807 -6.137 1.00 86.57 21 A 1 ATOM 157 O O . SER A 1 21 ? 13.933 6.091 -6.819 1.00 79.29 21 A 1 ATOM 158 C CB . SER A 1 21 ? 10.873 5.065 -7.353 1.00 85.75 21 A 1 ATOM 159 O OG . SER A 1 21 ? 10.159 3.962 -7.866 1.00 75.13 21 A 1 ATOM 160 O OXT . SER A 1 21 ? 12.586 6.480 -5.164 1.00 75.21 21 A 1 #