# 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_spkb26542 # _entry.id spkb26542 # 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" "C5 H10 N2 O3" 146.144 GLN y GLUTAMINE C(CC(=O)N)[C@@H](C(=O)O)N ? "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" "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" "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 ARG 2 1 n LEU 3 1 n PHE 4 1 n ILE 5 1 n SER 6 1 n LEU 7 1 n PRO 8 1 n VAL 9 1 n LEU 10 1 n ILE 11 1 n VAL 12 1 n VAL 13 1 n LEU 14 1 n ALA 15 1 n MET 16 1 n ALA 17 1 n LEU 18 1 n GLU 19 1 n GLY 20 1 n PRO 21 1 n ALA 22 1 n PRO 23 1 n ALA 24 1 n GLN 25 1 n ALA 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 @ 2025-07-12 08:29:17)" _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 82.67 _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 74.47 1 1 A ARG 2 2 71.17 1 2 A LEU 3 2 79.08 1 3 A PHE 4 2 75.34 1 4 A ILE 5 2 81.81 1 5 A SER 6 2 88.51 1 6 A LEU 7 2 89.58 1 7 A PRO 8 2 93.49 1 8 A VAL 9 2 92.32 1 9 A LEU 10 2 87.84 1 10 A ILE 11 2 91.13 1 11 A VAL 12 2 91.62 1 12 A VAL 13 2 90.96 1 13 A LEU 14 2 86.48 1 14 A ALA 15 2 91.39 1 15 A MET 16 2 85.16 1 16 A ALA 17 2 91.44 1 17 A LEU 18 2 87.34 1 18 A GLU 19 2 80.31 1 19 A GLY 20 2 86.89 1 20 A PRO 21 2 83.88 1 21 A ALA 22 2 79.24 1 22 A PRO 23 2 80.68 1 23 A ALA 24 2 76.42 1 24 A GLN 25 2 63.70 1 25 A ALA 26 2 65.70 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 ARG . 2 A 2 A 3 1 n LEU . 3 A 3 A 4 1 n PHE . 4 A 4 A 5 1 n ILE . 5 A 5 A 6 1 n SER . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n PRO . 8 A 8 A 9 1 n VAL . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n ILE . 11 A 11 A 12 1 n VAL . 12 A 12 A 13 1 n VAL . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n ALA . 15 A 15 A 16 1 n MET . 16 A 16 A 17 1 n ALA . 17 A 17 A 18 1 n LEU . 18 A 18 A 19 1 n GLU . 19 A 19 A 20 1 n GLY . 20 A 20 A 21 1 n PRO . 21 A 21 A 22 1 n ALA . 22 A 22 A 23 1 n PRO . 23 A 23 A 24 1 n ALA . 24 A 24 A 25 1 n GLN . 25 A 25 A 26 1 n ALA . 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 ? -7.107 -4.749 14.155 1.00 81.29 1 A 1 ATOM 2 C CA . MET A 1 1 ? -6.911 -3.996 15.408 1.00 82.92 1 A 1 ATOM 3 C C . MET A 1 1 ? -5.526 -3.355 15.441 1.00 83.44 1 A 1 ATOM 4 O O . MET A 1 1 ? -5.397 -2.156 15.676 1.00 76.89 1 A 1 ATOM 5 C CB . MET A 1 1 ? -7.083 -4.912 16.627 1.00 76.30 1 A 1 ATOM 6 C CG . MET A 1 1 ? -7.359 -4.125 17.904 1.00 70.25 1 A 1 ATOM 7 S SD . MET A 1 1 ? -7.599 -5.215 19.312 1.00 66.27 1 A 1 ATOM 8 C CE . MET A 1 1 ? -8.006 -4.015 20.589 1.00 58.43 1 A 1 ATOM 9 N N . ARG A 1 2 ? -4.516 -4.168 15.215 1.00 84.46 2 A 1 ATOM 10 C CA . ARG A 1 2 ? -3.143 -3.665 15.195 1.00 84.35 2 A 1 ATOM 11 C C . ARG A 1 2 ? -2.838 -2.968 13.871 1.00 83.66 2 A 1 ATOM 12 O O . ARG A 1 2 ? -3.312 -3.399 12.820 1.00 80.15 2 A 1 ATOM 13 C CB . ARG A 1 2 ? -2.153 -4.814 15.414 1.00 80.30 2 A 1 ATOM 14 C CG . ARG A 1 2 ? -2.182 -5.375 16.823 1.00 71.28 2 A 1 ATOM 15 C CD . ARG A 1 2 ? -1.282 -4.566 17.752 1.00 70.69 2 A 1 ATOM 16 N NE . ARG A 1 2 ? -1.411 -4.980 19.142 1.00 62.81 2 A 1 ATOM 17 C CZ . ARG A 1 2 ? -0.793 -6.020 19.683 1.00 57.92 2 A 1 ATOM 18 N NH1 . ARG A 1 2 ? -0.003 -6.789 18.952 1.00 53.66 2 A 1 ATOM 19 N NH2 . ARG A 1 2 ? -0.971 -6.303 20.955 1.00 53.64 2 A 1 ATOM 20 N N . LEU A 1 3 ? -2.032 -1.915 13.911 1.00 84.41 3 A 1 ATOM 21 C CA . LEU A 1 3 ? -1.658 -1.184 12.700 1.00 84.69 3 A 1 ATOM 22 C C . LEU A 1 3 ? -0.628 -1.951 11.876 1.00 88.01 3 A 1 ATOM 23 O O . LEU A 1 3 ? -0.443 -1.665 10.694 1.00 84.32 3 A 1 ATOM 24 C CB . LEU A 1 3 ? -1.118 0.207 13.072 1.00 81.22 3 A 1 ATOM 25 C CG . LEU A 1 3 ? -0.156 0.213 14.252 1.00 72.33 3 A 1 ATOM 26 C CD1 . LEU A 1 3 ? 1.280 0.359 13.773 1.00 69.33 3 A 1 ATOM 27 C CD2 . LEU A 1 3 ? -0.509 1.336 15.208 1.00 68.33 3 A 1 ATOM 28 N N . PHE A 1 4 ? 0.021 -2.928 12.507 1.00 80.43 4 A 1 ATOM 29 C CA . PHE A 1 4 ? 1.031 -3.732 11.813 1.00 81.84 4 A 1 ATOM 30 C C . PHE A 1 4 ? 0.404 -4.590 10.711 1.00 85.38 4 A 1 ATOM 31 O O . PHE A 1 4 ? 1.087 -4.975 9.760 1.00 84.10 4 A 1 ATOM 32 C CB . PHE A 1 4 ? 1.797 -4.603 12.817 1.00 78.49 4 A 1 ATOM 33 C CG . PHE A 1 4 ? 1.168 -5.951 13.076 1.00 74.62 4 A 1 ATOM 34 C CD1 . PHE A 1 4 ? 1.556 -7.059 12.324 1.00 71.56 4 A 1 ATOM 35 C CD2 . PHE A 1 4 ? 0.202 -6.108 14.055 1.00 70.13 4 A 1 ATOM 36 C CE1 . PHE A 1 4 ? 0.985 -8.300 12.556 1.00 67.10 4 A 1 ATOM 37 C CE2 . PHE A 1 4 ? -0.378 -7.352 14.283 1.00 67.75 4 A 1 ATOM 38 C CZ . PHE A 1 4 ? 0.015 -8.446 13.532 1.00 67.35 4 A 1 ATOM 39 N N . ILE A 1 5 ? -0.866 -4.882 10.835 1.00 86.13 5 A 1 ATOM 40 C CA . ILE A 1 5 ? -1.579 -5.670 9.832 1.00 86.45 5 A 1 ATOM 41 C C . ILE A 1 5 ? -2.255 -4.773 8.796 1.00 88.11 5 A 1 ATOM 42 O O . ILE A 1 5 ? -2.402 -5.155 7.633 1.00 86.00 5 A 1 ATOM 43 C CB . ILE A 1 5 ? -2.632 -6.588 10.487 1.00 84.79 5 A 1 ATOM 44 C CG1 . ILE A 1 5 ? -3.558 -5.802 11.416 1.00 77.92 5 A 1 ATOM 45 C CG2 . ILE A 1 5 ? -1.945 -7.726 11.236 1.00 76.54 5 A 1 ATOM 46 C CD1 . ILE A 1 5 ? -4.998 -6.218 11.307 1.00 68.54 5 A 1 ATOM 47 N N . SER A 1 6 ? -2.657 -3.595 9.217 1.00 91.76 6 A 1 ATOM 48 C CA . SER A 1 6 ? -3.314 -2.645 8.324 1.00 91.63 6 A 1 ATOM 49 C C . SER A 1 6 ? -2.303 -1.876 7.477 1.00 92.66 6 A 1 ATOM 50 O O . SER A 1 6 ? -2.577 -1.543 6.324 1.00 90.88 6 A 1 ATOM 51 C CB . SER A 1 6 ? -4.176 -1.673 9.128 1.00 88.27 6 A 1 ATOM 52 O OG . SER A 1 6 ? -3.388 -0.915 10.015 1.00 75.86 6 A 1 ATOM 53 N N . LEU A 1 7 ? -1.149 -1.608 8.051 1.00 93.17 7 A 1 ATOM 54 C CA . LEU A 1 7 ? -0.077 -0.907 7.346 1.00 93.48 7 A 1 ATOM 55 C C . LEU A 1 7 ? 0.350 -1.642 6.075 1.00 94.37 7 A 1 ATOM 56 O O . LEU A 1 7 ? 0.354 -1.051 4.991 1.00 93.75 7 A 1 ATOM 57 C CB . LEU A 1 7 ? 1.121 -0.700 8.278 1.00 92.37 7 A 1 ATOM 58 C CG . LEU A 1 7 ? 1.268 0.719 8.817 1.00 86.04 7 A 1 ATOM 59 C CD1 . LEU A 1 7 ? 2.033 0.721 10.133 1.00 82.25 7 A 1 ATOM 60 C CD2 . LEU A 1 7 ? 1.968 1.598 7.799 1.00 81.18 7 A 1 ATOM 61 N N . PRO A 1 8 ? 0.717 -2.922 6.184 1.00 94.42 8 A 1 ATOM 62 C CA . PRO A 1 8 ? 1.134 -3.691 5.003 1.00 94.20 8 A 1 ATOM 63 C C . PRO A 1 8 ? 0.025 -3.805 3.967 1.00 95.07 8 A 1 ATOM 64 O O . PRO A 1 8 ? 0.284 -3.763 2.765 1.00 93.69 8 A 1 ATOM 65 C CB . PRO A 1 8 ? 1.505 -5.065 5.572 1.00 92.42 8 A 1 ATOM 66 C CG . PRO A 1 8 ? 0.820 -5.146 6.892 1.00 91.36 8 A 1 ATOM 67 C CD . PRO A 1 8 ? 0.783 -3.730 7.406 1.00 93.26 8 A 1 ATOM 68 N N . VAL A 1 9 ? -1.202 -3.935 4.419 1.00 93.69 9 A 1 ATOM 69 C CA . VAL A 1 9 ? -2.357 -4.021 3.525 1.00 94.04 9 A 1 ATOM 70 C C . VAL A 1 9 ? -2.517 -2.722 2.740 1.00 94.63 9 A 1 ATOM 71 O O . VAL A 1 9 ? -2.755 -2.741 1.529 1.00 93.25 9 A 1 ATOM 72 C CB . VAL A 1 9 ? -3.645 -4.314 4.317 1.00 92.83 9 A 1 ATOM 73 C CG1 . VAL A 1 9 ? -4.870 -4.239 3.410 1.00 89.12 9 A 1 ATOM 74 C CG2 . VAL A 1 9 ? -3.566 -5.681 4.972 1.00 88.67 9 A 1 ATOM 75 N N . LEU A 1 10 ? -2.378 -1.609 3.432 1.00 92.25 10 A 1 ATOM 76 C CA . LEU A 1 10 ? -2.490 -0.293 2.805 1.00 92.02 10 A 1 ATOM 77 C C . LEU A 1 10 ? -1.370 -0.073 1.795 1.00 93.03 10 A 1 ATOM 78 O O . LEU A 1 10 ? -1.584 0.501 0.725 1.00 92.66 10 A 1 ATOM 79 C CB . LEU A 1 10 ? -2.458 0.796 3.883 1.00 91.14 10 A 1 ATOM 80 C CG . LEU A 1 10 ? -3.529 1.868 3.739 1.00 83.11 10 A 1 ATOM 81 C CD1 . LEU A 1 10 ? -4.021 2.313 5.114 1.00 79.68 10 A 1 ATOM 82 C CD2 . LEU A 1 10 ? -3.003 3.061 2.970 1.00 78.80 10 A 1 ATOM 83 N N . ILE A 1 11 ? -0.188 -0.541 2.132 1.00 92.83 11 A 1 ATOM 84 C CA . ILE A 1 11 ? 0.976 -0.425 1.254 1.00 92.82 11 A 1 ATOM 85 C C . ILE A 1 11 ? 0.751 -1.216 -0.034 1.00 93.27 11 A 1 ATOM 86 O O . ILE A 1 11 ? 1.057 -0.737 -1.131 1.00 92.36 11 A 1 ATOM 87 C CB . ILE A 1 11 ? 2.251 -0.918 1.962 1.00 92.92 11 A 1 ATOM 88 C CG1 . ILE A 1 11 ? 2.594 -0.012 3.150 1.00 91.04 11 A 1 ATOM 89 C CG2 . ILE A 1 11 ? 3.425 -0.956 0.982 1.00 89.38 11 A 1 ATOM 90 C CD1 . ILE A 1 11 ? 3.588 -0.639 4.111 1.00 84.44 11 A 1 ATOM 91 N N . VAL A 1 12 ? 0.224 -2.418 0.103 1.00 92.77 12 A 1 ATOM 92 C CA . VAL A 1 12 ? -0.051 -3.277 -1.050 1.00 92.58 12 A 1 ATOM 93 C C . VAL A 1 12 ? -1.100 -2.636 -1.953 1.00 93.00 12 A 1 ATOM 94 O O . VAL A 1 12 ? -0.953 -2.624 -3.178 1.00 91.92 12 A 1 ATOM 95 C CB . VAL A 1 12 ? -0.533 -4.669 -0.601 1.00 92.19 12 A 1 ATOM 96 C CG1 . VAL A 1 12 ? -0.951 -5.514 -1.802 1.00 89.86 12 A 1 ATOM 97 C CG2 . VAL A 1 12 ? 0.559 -5.387 0.174 1.00 89.03 12 A 1 ATOM 98 N N . VAL A 1 13 ? -2.146 -2.108 -1.344 1.00 92.29 13 A 1 ATOM 99 C CA . VAL A 1 13 ? -3.218 -1.441 -2.084 1.00 92.02 13 A 1 ATOM 100 C C . VAL A 1 13 ? -2.679 -0.215 -2.814 1.00 92.12 13 A 1 ATOM 101 O O . VAL A 1 13 ? -3.016 0.027 -3.976 1.00 90.88 13 A 1 ATOM 102 C CB . VAL A 1 13 ? -4.363 -1.027 -1.141 1.00 91.62 13 A 1 ATOM 103 C CG1 . VAL A 1 13 ? -5.431 -0.242 -1.899 1.00 89.15 13 A 1 ATOM 104 C CG2 . VAL A 1 13 ? -4.989 -2.247 -0.488 1.00 88.61 13 A 1 ATOM 105 N N . LEU A 1 14 ? -1.852 0.544 -2.128 1.00 90.53 14 A 1 ATOM 106 C CA . LEU A 1 14 ? -1.243 1.739 -2.705 1.00 89.65 14 A 1 ATOM 107 C C . LEU A 1 14 ? -0.345 1.380 -3.880 1.00 89.70 14 A 1 ATOM 108 O O . LEU A 1 14 ? -0.368 2.048 -4.918 1.00 89.02 14 A 1 ATOM 109 C CB . LEU A 1 14 ? -0.433 2.477 -1.634 1.00 88.85 14 A 1 ATOM 110 C CG . LEU A 1 14 ? -1.140 3.691 -1.038 1.00 83.23 14 A 1 ATOM 111 C CD1 . LEU A 1 14 ? -0.644 3.973 0.371 1.00 80.54 14 A 1 ATOM 112 C CD2 . LEU A 1 14 ? -0.921 4.907 -1.925 1.00 80.31 14 A 1 ATOM 113 N N . ALA A 1 15 ? 0.443 0.329 -3.708 1.00 92.88 15 A 1 ATOM 114 C CA . ALA A 1 15 ? 1.349 -0.129 -4.758 1.00 92.08 15 A 1 ATOM 115 C C . ALA A 1 15 ? 0.570 -0.592 -5.986 1.00 91.50 15 A 1 ATOM 116 O O . ALA A 1 15 ? 0.956 -0.310 -7.117 1.00 89.03 15 A 1 ATOM 117 C CB . ALA A 1 15 ? 2.226 -1.257 -4.229 1.00 91.46 15 A 1 ATOM 118 N N . MET A 1 16 ? -0.527 -1.296 -5.757 1.00 91.38 16 A 1 ATOM 119 C CA . MET A 1 16 ? -1.373 -1.786 -6.842 1.00 90.22 16 A 1 ATOM 120 C C . MET A 1 16 ? -2.019 -0.628 -7.599 1.00 90.21 16 A 1 ATOM 121 O O . MET A 1 16 ? -2.103 -0.646 -8.825 1.00 88.08 16 A 1 ATOM 122 C CB . MET A 1 16 ? -2.456 -2.712 -6.286 1.00 89.47 16 A 1 ATOM 123 C CG . MET A 1 16 ? -1.986 -4.148 -6.180 1.00 84.23 16 A 1 ATOM 124 S SD . MET A 1 16 ? -2.171 -5.032 -7.731 1.00 78.16 16 A 1 ATOM 125 C CE . MET A 1 16 ? -3.719 -5.898 -7.428 1.00 69.49 16 A 1 ATOM 126 N N . ALA A 1 17 ? -2.461 0.382 -6.861 1.00 92.80 17 A 1 ATOM 127 C CA . ALA A 1 17 ? -3.081 1.561 -7.455 1.00 91.99 17 A 1 ATOM 128 C C . ALA A 1 17 ? -2.058 2.406 -8.207 1.00 91.98 17 A 1 ATOM 129 O O . ALA A 1 17 ? -2.369 2.995 -9.238 1.00 89.50 17 A 1 ATOM 130 C CB . ALA A 1 17 ? -3.758 2.395 -6.372 1.00 90.93 17 A 1 ATOM 131 N N . LEU A 1 18 ? -0.849 2.467 -7.679 1.00 92.47 18 A 1 ATOM 132 C CA . LEU A 1 18 ? 0.231 3.236 -8.294 1.00 91.60 18 A 1 ATOM 133 C C . LEU A 1 18 ? 0.777 2.552 -9.539 1.00 91.34 18 A 1 ATOM 134 O O . LEU A 1 18 ? 1.211 3.214 -10.481 1.00 88.20 18 A 1 ATOM 135 C CB . LEU A 1 18 ? 1.357 3.448 -7.279 1.00 90.09 18 A 1 ATOM 136 C CG . LEU A 1 18 ? 1.475 4.870 -6.752 1.00 85.52 18 A 1 ATOM 137 C CD1 . LEU A 1 18 ? 2.022 4.882 -5.334 1.00 80.57 18 A 1 ATOM 138 C CD2 . LEU A 1 18 ? 2.360 5.696 -7.667 1.00 78.91 18 A 1 ATOM 139 N N . GLU A 1 19 ? 0.760 1.219 -9.530 1.00 91.12 19 A 1 ATOM 140 C CA . GLU A 1 19 ? 1.296 0.443 -10.645 1.00 89.62 19 A 1 ATOM 141 C C . GLU A 1 19 ? 0.263 0.178 -11.729 1.00 88.39 19 A 1 ATOM 142 O O . GLU A 1 19 ? 0.620 -0.044 -12.888 1.00 82.47 19 A 1 ATOM 143 C CB . GLU A 1 19 ? 1.860 -0.886 -10.135 1.00 86.52 19 A 1 ATOM 144 C CG . GLU A 1 19 ? 3.230 -0.747 -9.516 1.00 77.08 19 A 1 ATOM 145 C CD . GLU A 1 19 ? 4.331 -0.885 -10.554 1.00 73.47 19 A 1 ATOM 146 O OE1 . GLU A 1 19 ? 4.458 -1.974 -11.133 1.00 66.01 19 A 1 ATOM 147 O OE2 . GLU A 1 19 ? 5.048 0.103 -10.779 1.00 68.15 19 A 1 ATOM 148 N N . GLY A 1 20 ? -1.018 0.210 -11.367 1.00 89.20 20 A 1 ATOM 149 C CA . GLY A 1 20 ? -2.077 -0.093 -12.322 1.00 87.44 20 A 1 ATOM 150 C C . GLY A 1 20 ? -3.158 0.962 -12.432 1.00 87.46 20 A 1 ATOM 151 O O . GLY A 1 20 ? -3.063 1.858 -13.272 1.00 83.45 20 A 1 ATOM 152 N N . PRO A 1 21 ? -4.201 0.885 -11.590 1.00 87.47 21 A 1 ATOM 153 C CA . PRO A 1 21 ? -5.361 1.783 -11.651 1.00 86.29 21 A 1 ATOM 154 C C . PRO A 1 21 ? -5.023 3.263 -11.513 1.00 86.12 21 A 1 ATOM 155 O O . PRO A 1 21 ? -5.655 4.102 -12.154 1.00 80.32 21 A 1 ATOM 156 C CB . PRO A 1 21 ? -6.251 1.313 -10.496 1.00 83.39 21 A 1 ATOM 157 C CG . PRO A 1 21 ? -5.346 0.568 -9.581 1.00 80.48 21 A 1 ATOM 158 C CD . PRO A 1 21 ? -4.304 -0.053 -10.463 1.00 83.08 21 A 1 ATOM 159 N N . ALA A 1 22 ? -4.041 3.589 -10.689 1.00 81.98 22 A 1 ATOM 160 C CA . ALA A 1 22 ? -3.663 4.984 -10.483 1.00 80.44 22 A 1 ATOM 161 C C . ALA A 1 22 ? -2.151 5.185 -10.564 1.00 79.77 22 A 1 ATOM 162 O O . ALA A 1 22 ? -1.487 5.389 -9.547 1.00 76.87 22 A 1 ATOM 163 C CB . ALA A 1 22 ? -4.191 5.469 -9.138 1.00 77.12 22 A 1 ATOM 164 N N . PRO A 1 23 ? -1.605 5.140 -11.781 1.00 84.18 23 A 1 ATOM 165 C CA . PRO A 1 23 ? -0.167 5.339 -11.986 1.00 83.10 23 A 1 ATOM 166 C C . PRO A 1 23 ? 0.257 6.798 -11.865 1.00 82.51 23 A 1 ATOM 167 O O . PRO A 1 23 ? 1.389 7.091 -11.483 1.00 77.58 23 A 1 ATOM 168 C CB . PRO A 1 23 ? 0.057 4.823 -13.405 1.00 80.15 23 A 1 ATOM 169 C CG . PRO A 1 23 ? -1.257 5.027 -14.090 1.00 77.16 23 A 1 ATOM 170 C CD . PRO A 1 23 ? -2.315 4.846 -13.029 1.00 80.11 23 A 1 ATOM 171 N N . ALA A 1 24 ? -0.661 7.711 -12.191 1.00 78.97 24 A 1 ATOM 172 C CA . ALA A 1 24 ? -0.376 9.144 -12.137 1.00 77.44 24 A 1 ATOM 173 C C . ALA A 1 24 ? -1.548 9.936 -11.569 1.00 77.30 24 A 1 ATOM 174 O O . ALA A 1 24 ? -1.916 10.993 -12.087 1.00 73.34 24 A 1 ATOM 175 C CB . ALA A 1 24 ? -0.016 9.647 -13.528 1.00 75.05 24 A 1 ATOM 176 N N . GLN A 1 25 ? -2.138 9.410 -10.503 1.00 70.98 25 A 1 ATOM 177 C CA . GLN A 1 25 ? -3.268 10.078 -9.860 1.00 69.68 25 A 1 ATOM 178 C C . GLN A 1 25 ? -2.962 10.387 -8.401 1.00 68.60 25 A 1 ATOM 179 O O . GLN A 1 25 ? -2.494 9.517 -7.665 1.00 66.02 25 A 1 ATOM 180 C CB . GLN A 1 25 ? -4.524 9.211 -9.962 1.00 67.74 25 A 1 ATOM 181 C CG . GLN A 1 25 ? -5.589 9.836 -10.841 1.00 62.20 25 A 1 ATOM 182 C CD . GLN A 1 25 ? -6.875 9.026 -10.862 1.00 58.94 25 A 1 ATOM 183 O OE1 . GLN A 1 25 ? -7.053 8.094 -10.084 1.00 56.49 25 A 1 ATOM 184 N NE2 . GLN A 1 25 ? -7.799 9.375 -11.738 1.00 52.63 25 A 1 ATOM 185 N N . ALA A 1 26 ? -3.229 11.623 -7.991 1.00 71.56 26 A 1 ATOM 186 C CA . ALA A 1 26 ? -2.987 12.057 -6.612 1.00 69.80 26 A 1 ATOM 187 C C . ALA A 1 26 ? -4.157 12.893 -6.087 1.00 66.63 26 A 1 ATOM 188 O O . ALA A 1 26 ? -4.278 13.052 -4.865 1.00 62.02 26 A 1 ATOM 189 C CB . ALA A 1 26 ? -1.690 12.859 -6.541 1.00 64.95 26 A 1 ATOM 190 O OXT . ALA A 1 26 ? -4.953 13.401 -6.883 1.00 59.26 26 A 1 #