# 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_spkb19793 # _entry.id spkb19793 # 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" "C4 H8 N2 O3" 132.118 ASN y ASPARAGINE C([C@@H](C(=O)O)N)C(=O)N ? "L-PEPTIDE LINKING" "C5 H10 N2 O3" 146.144 GLN y GLUTAMINE C(CC(=O)N)[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 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" "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" "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 ALA 2 1 n PRO 3 1 n HIS 4 1 n LEU 5 1 n ASN 6 1 n ILE 7 1 n VAL 8 1 n PRO 9 1 n SER 10 1 n MET 11 1 n PHE 12 1 n VAL 13 1 n LEU 14 1 n LEU 15 1 n LEU 16 1 n LEU 17 1 n PHE 18 1 n ILE 19 1 n SER 20 1 n ALA 21 1 n SER 22 1 n LYS 23 1 n VAL 24 1 n GLN 25 1 n SER 26 # _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 @ 2025-07-06 12:44:22)" _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 86.19 _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 75.61 1 1 A ALA 2 2 79.59 1 2 A PRO 3 2 80.43 1 3 A HIS 4 2 69.96 1 4 A LEU 5 2 78.13 1 5 A ASN 6 2 79.07 1 6 A ILE 7 2 85.72 1 7 A VAL 8 2 88.65 1 8 A PRO 9 2 90.22 1 9 A SER 10 2 89.58 1 10 A MET 11 2 85.28 1 11 A PHE 12 2 89.40 1 12 A VAL 13 2 93.05 1 13 A LEU 14 2 90.61 1 14 A LEU 15 2 91.34 1 15 A LEU 16 2 91.25 1 16 A LEU 17 2 92.26 1 17 A PHE 18 2 88.99 1 18 A ILE 19 2 93.16 1 19 A SER 20 2 92.89 1 20 A ALA 21 2 95.34 1 21 A SER 22 2 91.96 1 22 A LYS 23 2 85.42 1 23 A VAL 24 2 90.77 1 24 A GLN 25 2 80.13 1 25 A SER 26 2 80.51 1 26 # _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 ALA . 2 A 2 A 3 1 n PRO . 3 A 3 A 4 1 n HIS . 4 A 4 A 5 1 n LEU . 5 A 5 A 6 1 n ASN . 6 A 6 A 7 1 n ILE . 7 A 7 A 8 1 n VAL . 8 A 8 A 9 1 n PRO . 9 A 9 A 10 1 n SER . 10 A 10 A 11 1 n MET . 11 A 11 A 12 1 n PHE . 12 A 12 A 13 1 n VAL . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n LEU . 16 A 16 A 17 1 n LEU . 17 A 17 A 18 1 n PHE . 18 A 18 A 19 1 n ILE . 19 A 19 A 20 1 n SER . 20 A 20 A 21 1 n ALA . 21 A 21 A 22 1 n SER . 22 A 22 A 23 1 n LYS . 23 A 23 A 24 1 n VAL . 24 A 24 A 25 1 n GLN . 25 A 25 A 26 1 n SER . 26 A 26 # _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 ? -19.660 -3.059 7.945 1.00 80.94 1 A 1 ATOM 2 C CA . MET A 1 1 ? -18.896 -2.377 6.883 1.00 83.70 1 A 1 ATOM 3 C C . MET A 1 1 ? -17.524 -1.897 7.383 1.00 83.33 1 A 1 ATOM 4 O O . MET A 1 1 ? -16.784 -1.258 6.642 1.00 79.78 1 A 1 ATOM 5 C CB . MET A 1 1 ? -19.721 -1.207 6.343 1.00 78.79 1 A 1 ATOM 6 C CG . MET A 1 1 ? -19.490 -0.943 4.865 1.00 72.89 1 A 1 ATOM 7 S SD . MET A 1 1 ? -20.774 0.100 4.163 1.00 66.16 1 A 1 ATOM 8 C CE . MET A 1 1 ? -20.154 0.307 2.499 1.00 59.29 1 A 1 ATOM 9 N N . ALA A 1 2 ? -17.204 -2.193 8.632 1.00 78.25 2 A 1 ATOM 10 C CA . ALA A 1 2 ? -15.947 -1.752 9.241 1.00 81.88 2 A 1 ATOM 11 C C . ALA A 1 2 ? -14.700 -2.464 8.691 1.00 82.16 2 A 1 ATOM 12 O O . ALA A 1 2 ? -13.711 -1.796 8.390 1.00 79.26 2 A 1 ATOM 13 C CB . ALA A 1 2 ? -16.039 -1.892 10.761 1.00 76.38 2 A 1 ATOM 14 N N . PRO A 1 3 ? -14.694 -3.810 8.543 1.00 81.95 3 A 1 ATOM 15 C CA . PRO A 1 3 ? -13.494 -4.502 8.049 1.00 83.46 3 A 1 ATOM 16 C C . PRO A 1 3 ? -13.196 -4.191 6.587 1.00 84.89 3 A 1 ATOM 17 O O . PRO A 1 3 ? -12.030 -4.083 6.200 1.00 80.19 3 A 1 ATOM 18 C CB . PRO A 1 3 ? -13.813 -5.986 8.258 1.00 78.45 3 A 1 ATOM 19 C CG . PRO A 1 3 ? -15.305 -6.064 8.286 1.00 76.09 3 A 1 ATOM 20 C CD . PRO A 1 3 ? -15.760 -4.760 8.887 1.00 77.95 3 A 1 ATOM 21 N N . HIS A 1 4 ? -14.237 -4.028 5.771 1.00 80.05 4 A 1 ATOM 22 C CA . HIS A 1 4 ? -14.063 -3.728 4.349 1.00 81.18 4 A 1 ATOM 23 C C . HIS A 1 4 ? -13.421 -2.356 4.139 1.00 81.50 4 A 1 ATOM 24 O O . HIS A 1 4 ? -12.762 -2.121 3.126 1.00 77.29 4 A 1 ATOM 25 C CB . HIS A 1 4 ? -15.416 -3.785 3.636 1.00 76.71 4 A 1 ATOM 26 C CG . HIS A 1 4 ? -15.289 -3.723 2.142 1.00 67.78 4 A 1 ATOM 27 N ND1 . HIS A 1 4 ? -15.509 -2.592 1.402 1.00 62.01 4 A 1 ATOM 28 C CD2 . HIS A 1 4 ? -14.942 -4.696 1.264 1.00 59.17 4 A 1 ATOM 29 C CE1 . HIS A 1 4 ? -15.306 -2.876 0.119 1.00 56.12 4 A 1 ATOM 30 N NE2 . HIS A 1 4 ? -14.958 -4.149 0.001 1.00 57.82 4 A 1 ATOM 31 N N . LEU A 1 5 ? -13.586 -1.456 5.102 1.00 83.62 5 A 1 ATOM 32 C CA . LEU A 1 5 ? -13.035 -0.106 5.023 1.00 83.94 5 A 1 ATOM 33 C C . LEU A 1 5 ? -11.504 -0.119 5.053 1.00 85.63 5 A 1 ATOM 34 O O . LEU A 1 5 ? -10.872 0.835 4.609 1.00 82.99 5 A 1 ATOM 35 C CB . LEU A 1 5 ? -13.582 0.746 6.177 1.00 80.77 5 A 1 ATOM 36 C CG . LEU A 1 5 ? -13.653 2.240 5.856 1.00 73.89 5 A 1 ATOM 37 C CD1 . LEU A 1 5 ? -14.914 2.550 5.051 1.00 68.39 5 A 1 ATOM 38 C CD2 . LEU A 1 5 ? -13.651 3.064 7.140 1.00 65.83 5 A 1 ATOM 39 N N . ASN A 1 6 ? -10.903 -1.187 5.569 1.00 83.68 6 A 1 ATOM 40 C CA . ASN A 1 6 ? -9.452 -1.285 5.693 1.00 85.90 6 A 1 ATOM 41 C C . ASN A 1 6 ? -8.817 -2.213 4.656 1.00 87.13 6 A 1 ATOM 42 O O . ASN A 1 6 ? -7.610 -2.156 4.441 1.00 85.11 6 A 1 ATOM 43 C CB . ASN A 1 6 ? -9.086 -1.751 7.103 1.00 81.72 6 A 1 ATOM 44 C CG . ASN A 1 6 ? -9.163 -0.618 8.108 1.00 73.32 6 A 1 ATOM 45 O OD1 . ASN A 1 6 ? -8.324 0.269 8.126 1.00 67.21 6 A 1 ATOM 46 N ND2 . ASN A 1 6 ? -10.164 -0.636 8.964 1.00 68.47 6 A 1 ATOM 47 N N . ILE A 1 7 ? -9.621 -3.076 4.019 1.00 88.99 7 A 1 ATOM 48 C CA . ILE A 1 7 ? -9.093 -4.042 3.059 1.00 89.92 7 A 1 ATOM 49 C C . ILE A 1 7 ? -8.526 -3.347 1.819 1.00 90.91 7 A 1 ATOM 50 O O . ILE A 1 7 ? -7.389 -3.613 1.418 1.00 90.44 7 A 1 ATOM 51 C CB . ILE A 1 7 ? -10.174 -5.069 2.665 1.00 88.58 7 A 1 ATOM 52 C CG1 . ILE A 1 7 ? -10.553 -5.923 3.882 1.00 82.85 7 A 1 ATOM 53 C CG2 . ILE A 1 7 ? -9.679 -5.960 1.528 1.00 80.37 7 A 1 ATOM 54 C CD1 . ILE A 1 7 ? -11.790 -6.778 3.668 1.00 73.70 7 A 1 ATOM 55 N N . VAL A 1 8 ? -9.310 -2.457 1.217 1.00 91.52 8 A 1 ATOM 56 C CA . VAL A 1 8 ? -8.866 -1.744 0.014 1.00 91.31 8 A 1 ATOM 57 C C . VAL A 1 8 ? -7.637 -0.864 0.290 1.00 91.96 8 A 1 ATOM 58 O O . VAL A 1 8 ? -6.633 -0.978 -0.423 1.00 91.23 8 A 1 ATOM 59 C CB . VAL A 1 8 ? -10.023 -0.930 -0.600 1.00 89.15 8 A 1 ATOM 60 C CG1 . VAL A 1 8 ? -9.542 -0.097 -1.779 1.00 82.12 8 A 1 ATOM 61 C CG2 . VAL A 1 8 ? -11.141 -1.859 -1.051 1.00 83.26 8 A 1 ATOM 62 N N . PRO A 1 9 ? -7.668 0.000 1.327 1.00 91.37 9 A 1 ATOM 63 C CA . PRO A 1 9 ? -6.480 0.810 1.634 1.00 91.78 9 A 1 ATOM 64 C C . PRO A 1 9 ? -5.289 -0.043 2.054 1.00 92.77 9 A 1 ATOM 65 O O . PRO A 1 9 ? -4.145 0.347 1.809 1.00 91.13 9 A 1 ATOM 66 C CB . PRO A 1 9 ? -6.931 1.750 2.764 1.00 88.90 9 A 1 ATOM 67 C CG . PRO A 1 9 ? -8.208 1.196 3.277 1.00 86.22 9 A 1 ATOM 68 C CD . PRO A 1 9 ? -8.808 0.401 2.155 1.00 89.40 9 A 1 ATOM 69 N N . SER A 1 10 ? -5.516 -1.203 2.657 1.00 91.37 10 A 1 ATOM 70 C CA . SER A 1 10 ? -4.427 -2.102 3.040 1.00 92.35 10 A 1 ATOM 71 C C . SER A 1 10 ? -3.661 -2.570 1.801 1.00 93.27 10 A 1 ATOM 72 O O . SER A 1 10 ? -2.429 -2.587 1.791 1.00 92.02 10 A 1 ATOM 73 C CB . SER A 1 10 ? -4.974 -3.305 3.805 1.00 89.84 10 A 1 ATOM 74 O OG . SER A 1 10 ? -3.916 -4.123 4.248 1.00 78.62 10 A 1 ATOM 75 N N . MET A 1 11 ? -4.388 -2.934 0.741 1.00 89.98 11 A 1 ATOM 76 C CA . MET A 1 11 ? -3.760 -3.328 -0.519 1.00 91.38 11 A 1 ATOM 77 C C . MET A 1 11 ? -2.999 -2.154 -1.129 1.00 93.20 11 A 1 ATOM 78 O O . MET A 1 11 ? -1.914 -2.327 -1.685 1.00 92.29 11 A 1 ATOM 79 C CB . MET A 1 11 ? -4.813 -3.836 -1.501 1.00 88.71 11 A 1 ATOM 80 C CG . MET A 1 11 ? -5.445 -5.144 -1.070 1.00 84.03 11 A 1 ATOM 81 S SD . MET A 1 11 ? -6.587 -5.811 -2.295 1.00 76.37 11 A 1 ATOM 82 C CE . MET A 1 11 ? -5.418 -6.388 -3.537 1.00 66.24 11 A 1 ATOM 83 N N . PHE A 1 12 ? -3.557 -0.960 -1.012 1.00 91.58 12 A 1 ATOM 84 C CA . PHE A 1 12 ? -2.914 0.254 -1.511 1.00 92.41 12 A 1 ATOM 85 C C . PHE A 1 12 ? -1.609 0.519 -0.765 1.00 94.06 12 A 1 ATOM 86 O O . PHE A 1 12 ? -0.596 0.854 -1.378 1.00 94.11 12 A 1 ATOM 87 C CB . PHE A 1 12 ? -3.868 1.439 -1.369 1.00 91.64 12 A 1 ATOM 88 C CG . PHE A 1 12 ? -3.325 2.708 -1.975 1.00 89.52 12 A 1 ATOM 89 C CD1 . PHE A 1 12 ? -3.227 2.852 -3.352 1.00 86.52 12 A 1 ATOM 90 C CD2 . PHE A 1 12 ? -2.916 3.753 -1.157 1.00 86.75 12 A 1 ATOM 91 C CE1 . PHE A 1 12 ? -2.727 4.022 -3.913 1.00 85.38 12 A 1 ATOM 92 C CE2 . PHE A 1 12 ? -2.410 4.928 -1.713 1.00 85.04 12 A 1 ATOM 93 C CZ . PHE A 1 12 ? -2.315 5.062 -3.090 1.00 86.41 12 A 1 ATOM 94 N N . VAL A 1 13 ? -1.626 0.352 0.559 1.00 94.42 13 A 1 ATOM 95 C CA . VAL A 1 13 ? -0.422 0.534 1.374 1.00 94.43 13 A 1 ATOM 96 C C . VAL A 1 13 ? 0.637 -0.493 0.977 1.00 95.03 13 A 1 ATOM 97 O O . VAL A 1 13 ? 1.821 -0.162 0.862 1.00 94.53 13 A 1 ATOM 98 C CB . VAL A 1 13 ? -0.750 0.424 2.875 1.00 93.37 13 A 1 ATOM 99 C CG1 . VAL A 1 13 ? 0.520 0.397 3.720 1.00 89.85 13 A 1 ATOM 100 C CG2 . VAL A 1 13 ? -1.619 1.597 3.311 1.00 89.74 13 A 1 ATOM 101 N N . LEU A 1 14 ? 0.220 -1.726 0.750 1.00 94.44 14 A 1 ATOM 102 C CA . LEU A 1 14 ? 1.135 -2.780 0.318 1.00 94.25 14 A 1 ATOM 103 C C . LEU A 1 14 ? 1.786 -2.406 -1.012 1.00 94.85 14 A 1 ATOM 104 O O . LEU A 1 14 ? 2.989 -2.603 -1.198 1.00 94.74 14 A 1 ATOM 105 C CB . LEU A 1 14 ? 0.375 -4.103 0.192 1.00 93.45 14 A 1 ATOM 106 C CG . LEU A 1 14 ? 1.254 -5.300 -0.179 1.00 85.39 14 A 1 ATOM 107 C CD1 . LEU A 1 14 ? 2.256 -5.602 0.928 1.00 83.25 14 A 1 ATOM 108 C CD2 . LEU A 1 14 ? 0.382 -6.518 -0.440 1.00 84.51 14 A 1 ATOM 109 N N . LEU A 1 15 ? 1.001 -1.858 -1.929 1.00 94.93 15 A 1 ATOM 110 C CA . LEU A 1 15 ? 1.503 -1.406 -3.223 1.00 94.73 15 A 1 ATOM 111 C C . LEU A 1 15 ? 2.530 -0.290 -3.045 1.00 95.30 15 A 1 ATOM 112 O O . LEU A 1 15 ? 3.584 -0.304 -3.683 1.00 95.19 15 A 1 ATOM 113 C CB . LEU A 1 15 ? 0.337 -0.926 -4.091 1.00 94.15 15 A 1 ATOM 114 C CG . LEU A 1 15 ? 0.739 -0.452 -5.495 1.00 87.36 15 A 1 ATOM 115 C CD1 . LEU A 1 15 ? 1.326 -1.597 -6.310 1.00 83.84 15 A 1 ATOM 116 C CD2 . LEU A 1 15 ? -0.466 0.135 -6.213 1.00 85.21 15 A 1 ATOM 117 N N . LEU A 1 16 ? 2.238 0.669 -2.169 1.00 95.54 16 A 1 ATOM 118 C CA . LEU A 1 16 ? 3.157 1.770 -1.896 1.00 95.16 16 A 1 ATOM 119 C C . LEU A 1 16 ? 4.468 1.252 -1.311 1.00 95.32 16 A 1 ATOM 120 O O . LEU A 1 16 ? 5.545 1.723 -1.681 1.00 95.02 16 A 1 ATOM 121 C CB . LEU A 1 16 ? 2.513 2.768 -0.926 1.00 94.50 16 A 1 ATOM 122 C CG . LEU A 1 16 ? 1.376 3.604 -1.521 1.00 86.15 16 A 1 ATOM 123 C CD1 . LEU A 1 16 ? 0.741 4.462 -0.436 1.00 83.59 16 A 1 ATOM 124 C CD2 . LEU A 1 16 ? 1.882 4.494 -2.651 1.00 84.70 16 A 1 ATOM 125 N N . LEU A 1 17 ? 4.386 0.277 -0.406 1.00 96.08 17 A 1 ATOM 126 C CA . LEU A 1 17 ? 5.577 -0.321 0.187 1.00 95.54 17 A 1 ATOM 127 C C . LEU A 1 17 ? 6.406 -1.023 -0.886 1.00 95.43 17 A 1 ATOM 128 O O . LEU A 1 17 ? 7.635 -0.917 -0.901 1.00 94.76 17 A 1 ATOM 129 C CB . LEU A 1 17 ? 5.176 -1.314 1.284 1.00 95.03 17 A 1 ATOM 130 C CG . LEU A 1 17 ? 4.637 -0.670 2.565 1.00 89.44 17 A 1 ATOM 131 C CD1 . LEU A 1 17 ? 4.077 -1.741 3.496 1.00 85.48 17 A 1 ATOM 132 C CD2 . LEU A 1 17 ? 5.732 0.111 3.282 1.00 86.34 17 A 1 ATOM 133 N N . PHE A 1 18 ? 5.740 -1.726 -1.803 1.00 95.24 18 A 1 ATOM 134 C CA . PHE A 1 18 ? 6.412 -2.409 -2.900 1.00 94.60 18 A 1 ATOM 135 C C . PHE A 1 18 ? 7.123 -1.408 -3.805 1.00 94.75 18 A 1 ATOM 136 O O . PHE A 1 18 ? 8.281 -1.615 -4.180 1.00 93.82 18 A 1 ATOM 137 C CB . PHE A 1 18 ? 5.398 -3.228 -3.699 1.00 93.79 18 A 1 ATOM 138 C CG . PHE A 1 18 ? 6.037 -4.007 -4.822 1.00 89.29 18 A 1 ATOM 139 C CD1 . PHE A 1 18 ? 6.751 -5.169 -4.559 1.00 84.72 18 A 1 ATOM 140 C CD2 . PHE A 1 18 ? 5.930 -3.559 -6.133 1.00 84.64 18 A 1 ATOM 141 C CE1 . PHE A 1 18 ? 7.348 -5.884 -5.592 1.00 83.03 18 A 1 ATOM 142 C CE2 . PHE A 1 18 ? 6.532 -4.270 -7.169 1.00 82.85 18 A 1 ATOM 143 C CZ . PHE A 1 18 ? 7.241 -5.432 -6.899 1.00 82.11 18 A 1 ATOM 144 N N . ILE A 1 19 ? 6.445 -0.310 -4.141 1.00 95.89 19 A 1 ATOM 145 C CA . ILE A 1 19 ? 7.034 0.732 -4.982 1.00 95.18 19 A 1 ATOM 146 C C . ILE A 1 19 ? 8.237 1.358 -4.279 1.00 95.08 19 A 1 ATOM 147 O O . ILE A 1 19 ? 9.280 1.580 -4.898 1.00 94.67 19 A 1 ATOM 148 C CB . ILE A 1 19 ? 5.984 1.806 -5.336 1.00 94.79 19 A 1 ATOM 149 C CG1 . ILE A 1 19 ? 4.897 1.207 -6.244 1.00 92.46 19 A 1 ATOM 150 C CG2 . ILE A 1 19 ? 6.647 2.999 -6.033 1.00 90.33 19 A 1 ATOM 151 C CD1 . ILE A 1 19 ? 3.666 2.088 -6.384 1.00 86.92 19 A 1 ATOM 152 N N . SER A 1 20 ? 8.104 1.623 -2.980 1.00 96.17 20 A 1 ATOM 153 C CA . SER A 1 20 ? 9.194 2.202 -2.200 1.00 95.49 20 A 1 ATOM 154 C C . SER A 1 20 ? 10.404 1.268 -2.181 1.00 95.15 20 A 1 ATOM 155 O O . SER A 1 20 ? 11.539 1.711 -2.368 1.00 93.38 20 A 1 ATOM 156 C CB . SER A 1 20 ? 8.729 2.483 -0.770 1.00 94.48 20 A 1 ATOM 157 O OG . SER A 1 20 ? 7.680 3.430 -0.764 1.00 82.64 20 A 1 ATOM 158 N N . ALA A 1 21 ? 10.156 -0.028 -1.971 1.00 96.35 21 A 1 ATOM 159 C CA . ALA A 1 21 ? 11.229 -1.019 -1.966 1.00 95.89 21 A 1 ATOM 160 C C . ALA A 1 21 ? 11.902 -1.093 -3.337 1.00 95.86 21 A 1 ATOM 161 O O . ALA A 1 21 ? 13.128 -1.189 -3.429 1.00 93.97 21 A 1 ATOM 162 C CB . ALA A 1 21 ? 10.668 -2.382 -1.564 1.00 94.64 21 A 1 ATOM 163 N N . SER A 1 22 ? 11.102 -1.021 -4.404 1.00 95.97 22 A 1 ATOM 164 C CA . SER A 1 22 ? 11.628 -1.049 -5.767 1.00 95.41 22 A 1 ATOM 165 C C . SER A 1 22 ? 12.494 0.178 -6.042 1.00 95.20 22 A 1 ATOM 166 O O . SER A 1 22 ? 13.546 0.071 -6.674 1.00 92.35 22 A 1 ATOM 167 C CB . SER A 1 22 ? 10.483 -1.122 -6.774 1.00 93.50 22 A 1 ATOM 168 O OG . SER A 1 22 ? 9.752 -2.324 -6.609 1.00 79.33 22 A 1 ATOM 169 N N . LYS A 1 23 ? 12.070 1.347 -5.549 1.00 95.89 23 A 1 ATOM 170 C CA . LYS A 1 23 ? 12.839 2.580 -5.725 1.00 95.58 23 A 1 ATOM 171 C C . LYS A 1 23 ? 14.192 2.496 -5.029 1.00 94.71 23 A 1 ATOM 172 O O . LYS A 1 23 ? 15.178 3.039 -5.526 1.00 92.09 23 A 1 ATOM 173 C CB . LYS A 1 23 ? 12.052 3.777 -5.190 1.00 93.75 23 A 1 ATOM 174 C CG . LYS A 1 23 ? 10.937 4.204 -6.126 1.00 83.08 23 A 1 ATOM 175 C CD . LYS A 1 23 ? 10.159 5.391 -5.574 1.00 78.29 23 A 1 ATOM 176 C CE . LYS A 1 23 ? 10.994 6.663 -5.605 1.00 71.02 23 A 1 ATOM 177 N NZ . LYS A 1 23 ? 10.205 7.841 -5.170 1.00 64.39 23 A 1 ATOM 178 N N . VAL A 1 24 ? 14.245 1.825 -3.879 1.00 95.23 24 A 1 ATOM 179 C CA . VAL A 1 24 ? 15.504 1.651 -3.149 1.00 95.15 24 A 1 ATOM 180 C C . VAL A 1 24 ? 16.452 0.733 -3.918 1.00 94.64 24 A 1 ATOM 181 O O . VAL A 1 24 ? 17.670 0.933 -3.912 1.00 91.43 24 A 1 ATOM 182 C CB . VAL A 1 24 ? 15.246 1.101 -1.735 1.00 92.92 24 A 1 ATOM 183 C CG1 . VAL A 1 24 ? 16.558 0.780 -1.022 1.00 82.95 24 A 1 ATOM 184 C CG2 . VAL A 1 24 ? 14.459 2.102 -0.911 1.00 83.07 24 A 1 ATOM 185 N N . GLN A 1 25 ? 15.888 -0.276 -4.584 1.00 93.62 25 A 1 ATOM 186 C CA . GLN A 1 25 ? 16.691 -1.224 -5.363 1.00 92.19 25 A 1 ATOM 187 C C . GLN A 1 25 ? 16.954 -0.746 -6.791 1.00 89.43 25 A 1 ATOM 188 O O . GLN A 1 25 ? 17.687 -1.404 -7.531 1.00 81.84 25 A 1 ATOM 189 C CB . GLN A 1 25 ? 16.007 -2.598 -5.385 1.00 88.31 25 A 1 ATOM 190 C CG . GLN A 1 25 ? 16.278 -3.425 -4.137 1.00 77.56 25 A 1 ATOM 191 C CD . GLN A 1 25 ? 17.725 -3.901 -4.059 1.00 71.50 25 A 1 ATOM 192 O OE1 . GLN A 1 25 ? 18.530 -3.645 -4.939 1.00 66.50 25 A 1 ATOM 193 N NE2 . GLN A 1 25 ? 18.070 -4.607 -3.001 1.00 60.20 25 A 1 ATOM 194 N N . SER A 1 26 ? 16.378 0.374 -7.168 1.00 89.43 26 A 1 ATOM 195 C CA . SER A 1 26 ? 16.538 0.917 -8.525 1.00 87.68 26 A 1 ATOM 196 C C . SER A 1 26 ? 17.145 2.312 -8.473 1.00 83.70 26 A 1 ATOM 197 O O . SER A 1 26 ? 16.448 3.302 -8.738 1.00 77.56 26 A 1 ATOM 198 C CB . SER A 1 26 ? 15.201 0.937 -9.256 1.00 81.59 26 A 1 ATOM 199 O OG . SER A 1 26 ? 14.691 -0.370 -9.393 1.00 71.50 26 A 1 ATOM 200 O OXT . SER A 1 26 ? 18.364 2.403 -8.143 1.00 72.13 26 A 1 #