# 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_spkb34691 # _entry.id spkb34691 # 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" "C3 H7 N O2 S" 121.158 CYS y CYSTEINE C([C@@H](C(=O)O)N)S ? "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" "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 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 ASN 2 1 n ILE 3 1 n PHE 4 1 n LYS 5 1 n GLN 6 1 n THR 7 1 n CYS 8 1 n VAL 9 1 n GLY 10 1 n ALA 11 1 n PHE 12 1 n ALA 13 1 n VAL 14 1 n ILE 15 1 n PHE 16 1 n GLY 17 1 n ALA 18 1 n THR 19 1 n SER 20 1 n ILE 21 1 n ALA 22 1 n PRO 23 1 n THR 24 1 n MET 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 06:06:31)" _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 86.88 _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 79.73 1 1 A ASN 2 2 86.27 1 2 A ILE 3 2 92.09 1 3 A PHE 4 2 88.32 1 4 A LYS 5 2 87.57 1 5 A GLN 6 2 88.38 1 6 A THR 7 2 94.94 1 7 A CYS 8 2 94.15 1 8 A VAL 9 2 95.29 1 9 A GLY 10 2 96.26 1 10 A ALA 11 2 96.60 1 11 A PHE 12 2 91.25 1 12 A ALA 13 2 95.32 1 13 A VAL 14 2 94.43 1 14 A ILE 15 2 93.56 1 15 A PHE 16 2 88.57 1 16 A GLY 17 2 91.93 1 17 A ALA 18 2 90.24 1 18 A THR 19 2 86.49 1 19 A SER 20 2 83.51 1 20 A ILE 21 2 81.08 1 21 A ALA 22 2 82.82 1 22 A PRO 23 2 78.99 1 23 A THR 24 2 71.64 1 24 A MET 25 2 70.13 1 25 A ALA 26 2 65.81 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 ASN . 2 A 2 A 3 1 n ILE . 3 A 3 A 4 1 n PHE . 4 A 4 A 5 1 n LYS . 5 A 5 A 6 1 n GLN . 6 A 6 A 7 1 n THR . 7 A 7 A 8 1 n CYS . 8 A 8 A 9 1 n VAL . 9 A 9 A 10 1 n GLY . 10 A 10 A 11 1 n ALA . 11 A 11 A 12 1 n PHE . 12 A 12 A 13 1 n ALA . 13 A 13 A 14 1 n VAL . 14 A 14 A 15 1 n ILE . 15 A 15 A 16 1 n PHE . 16 A 16 A 17 1 n GLY . 17 A 17 A 18 1 n ALA . 18 A 18 A 19 1 n THR . 19 A 19 A 20 1 n SER . 20 A 20 A 21 1 n ILE . 21 A 21 A 22 1 n ALA . 22 A 22 A 23 1 n PRO . 23 A 23 A 24 1 n THR . 24 A 24 A 25 1 n MET . 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 ? -8.988 18.760 8.278 1.00 89.81 1 A 1 ATOM 2 C CA . MET A 1 1 ? -7.642 19.350 8.118 1.00 89.42 1 A 1 ATOM 3 C C . MET A 1 1 ? -6.517 18.297 8.018 1.00 88.99 1 A 1 ATOM 4 O O . MET A 1 1 ? -5.348 18.646 8.042 1.00 81.80 1 A 1 ATOM 5 C CB . MET A 1 1 ? -7.420 20.358 9.254 1.00 82.47 1 A 1 ATOM 6 C CG . MET A 1 1 ? -6.280 21.350 8.992 1.00 75.15 1 A 1 ATOM 7 S SD . MET A 1 1 ? -6.360 22.739 10.133 1.00 68.68 1 A 1 ATOM 8 C CE . MET A 1 1 ? -4.710 23.430 9.944 1.00 61.52 1 A 1 ATOM 9 N N . ASN A 1 2 ? -6.822 17.019 7.886 1.00 91.92 2 A 1 ATOM 10 C CA . ASN A 1 2 ? -5.817 15.944 7.887 1.00 91.95 2 A 1 ATOM 11 C C . ASN A 1 2 ? -5.919 15.051 6.647 1.00 93.10 2 A 1 ATOM 12 O O . ASN A 1 2 ? -5.597 13.869 6.707 1.00 92.82 2 A 1 ATOM 13 C CB . ASN A 1 2 ? -5.915 15.137 9.194 1.00 88.15 2 A 1 ATOM 14 C CG . ASN A 1 2 ? -5.429 15.905 10.404 1.00 80.74 2 A 1 ATOM 15 O OD1 . ASN A 1 2 ? -5.638 17.085 10.561 1.00 76.63 2 A 1 ATOM 16 N ND2 . ASN A 1 2 ? -4.763 15.244 11.323 1.00 74.87 2 A 1 ATOM 17 N N . ILE A 1 3 ? -6.356 15.604 5.520 1.00 95.78 3 A 1 ATOM 18 C CA . ILE A 1 3 ? -6.518 14.865 4.256 1.00 95.68 3 A 1 ATOM 19 C C . ILE A 1 3 ? -5.180 14.263 3.817 1.00 96.15 3 A 1 ATOM 20 O O . ILE A 1 3 ? -5.118 13.107 3.399 1.00 95.84 3 A 1 ATOM 21 C CB . ILE A 1 3 ? -7.099 15.793 3.173 1.00 94.41 3 A 1 ATOM 22 C CG1 . ILE A 1 3 ? -8.466 16.370 3.623 1.00 89.63 3 A 1 ATOM 23 C CG2 . ILE A 1 3 ? -7.250 15.038 1.841 1.00 87.17 3 A 1 ATOM 24 C CD1 . ILE A 1 3 ? -8.993 17.479 2.706 1.00 82.04 3 A 1 ATOM 25 N N . PHE A 1 4 ? -4.089 15.004 4.001 1.00 93.85 4 A 1 ATOM 26 C CA . PHE A 1 4 ? -2.744 14.556 3.640 1.00 93.71 4 A 1 ATOM 27 C C . PHE A 1 4 ? -2.333 13.288 4.389 1.00 94.99 4 A 1 ATOM 28 O O . PHE A 1 4 ? -1.780 12.366 3.796 1.00 95.03 4 A 1 ATOM 29 C CB . PHE A 1 4 ? -1.754 15.690 3.917 1.00 92.96 4 A 1 ATOM 30 C CG . PHE A 1 4 ? -0.809 15.918 2.764 1.00 87.71 4 A 1 ATOM 31 C CD1 . PHE A 1 4 ? 0.400 15.217 2.688 1.00 84.29 4 A 1 ATOM 32 C CD2 . PHE A 1 4 ? -1.154 16.823 1.750 1.00 83.32 4 A 1 ATOM 33 C CE1 . PHE A 1 4 ? 1.266 15.420 1.605 1.00 82.26 4 A 1 ATOM 34 C CE2 . PHE A 1 4 ? -0.290 17.027 0.666 1.00 82.59 4 A 1 ATOM 35 C CZ . PHE A 1 4 ? 0.920 16.326 0.592 1.00 80.80 4 A 1 ATOM 36 N N . LYS A 1 5 ? -2.651 13.190 5.683 1.00 95.22 5 A 1 ATOM 37 C CA . LYS A 1 5 ? -2.349 11.995 6.482 1.00 94.67 5 A 1 ATOM 38 C C . LYS A 1 5 ? -3.150 10.789 6.011 1.00 94.95 5 A 1 ATOM 39 O O . LYS A 1 5 ? -2.598 9.701 5.902 1.00 95.05 5 A 1 ATOM 40 C CB . LYS A 1 5 ? -2.599 12.251 7.969 1.00 93.57 5 A 1 ATOM 41 C CG . LYS A 1 5 ? -1.544 13.178 8.576 1.00 86.07 5 A 1 ATOM 42 C CD . LYS A 1 5 ? -1.679 13.225 10.095 1.00 83.37 5 A 1 ATOM 43 C CE . LYS A 1 5 ? -0.547 14.049 10.702 1.00 75.11 5 A 1 ATOM 44 N NZ . LYS A 1 5 ? -0.557 13.986 12.181 1.00 70.15 5 A 1 ATOM 45 N N . GLN A 1 6 ? -4.421 10.978 5.701 1.00 95.65 6 A 1 ATOM 46 C CA . GLN A 1 6 ? -5.286 9.902 5.226 1.00 95.47 6 A 1 ATOM 47 C C . GLN A 1 6 ? -4.815 9.368 3.870 1.00 95.73 6 A 1 ATOM 48 O O . GLN A 1 6 ? -4.729 8.156 3.681 1.00 94.11 6 A 1 ATOM 49 C CB . GLN A 1 6 ? -6.723 10.412 5.191 1.00 94.31 6 A 1 ATOM 50 C CG . GLN A 1 6 ? -7.727 9.314 5.529 1.00 86.54 6 A 1 ATOM 51 C CD . GLN A 1 6 ? -8.609 8.927 4.350 1.00 82.72 6 A 1 ATOM 52 O OE1 . GLN A 1 6 ? -8.165 8.479 3.327 1.00 76.29 6 A 1 ATOM 53 N NE2 . GLN A 1 6 ? -9.912 9.090 4.462 1.00 74.57 6 A 1 ATOM 54 N N . THR A 1 7 ? -4.419 10.256 2.964 1.00 97.14 7 A 1 ATOM 55 C CA . THR A 1 7 ? -3.876 9.878 1.656 1.00 96.84 7 A 1 ATOM 56 C C . THR A 1 7 ? -2.551 9.133 1.793 1.00 97.20 7 A 1 ATOM 57 O O . THR A 1 7 ? -2.369 8.098 1.154 1.00 96.43 7 A 1 ATOM 58 C CB . THR A 1 7 ? -3.690 11.118 0.775 1.00 96.32 7 A 1 ATOM 59 O OG1 . THR A 1 7 ? -4.899 11.840 0.704 1.00 91.54 7 A 1 ATOM 60 C CG2 . THR A 1 7 ? -3.299 10.765 -0.652 1.00 89.09 7 A 1 ATOM 61 N N . CYS A 1 8 ? -1.645 9.586 2.647 1.00 96.30 8 A 1 ATOM 62 C CA . CYS A 1 8 ? -0.376 8.904 2.890 1.00 96.19 8 A 1 ATOM 63 C C . CYS A 1 8 ? -0.585 7.512 3.488 1.00 96.20 8 A 1 ATOM 64 O O . CYS A 1 8 ? 0.019 6.554 3.026 1.00 95.21 8 A 1 ATOM 65 C CB . CYS A 1 8 ? 0.507 9.750 3.816 1.00 94.80 8 A 1 ATOM 66 S SG . CYS A 1 8 ? 1.240 11.131 2.918 1.00 86.18 8 A 1 ATOM 67 N N . VAL A 1 9 ? -1.457 7.382 4.477 1.00 96.84 9 A 1 ATOM 68 C CA . VAL A 1 9 ? -1.761 6.091 5.112 1.00 96.83 9 A 1 ATOM 69 C C . VAL A 1 9 ? -2.411 5.139 4.115 1.00 96.90 9 A 1 ATOM 70 O O . VAL A 1 9 ? -2.033 3.973 4.064 1.00 96.38 9 A 1 ATOM 71 C CB . VAL A 1 9 ? -2.639 6.290 6.358 1.00 95.96 9 A 1 ATOM 72 C CG1 . VAL A 1 9 ? -3.142 4.971 6.935 1.00 91.95 9 A 1 ATOM 73 C CG2 . VAL A 1 9 ? -1.848 6.999 7.458 1.00 92.18 9 A 1 ATOM 74 N N . GLY A 1 10 ? -3.335 5.624 3.298 1.00 96.46 10 A 1 ATOM 75 C CA . GLY A 1 10 ? -3.966 4.809 2.259 1.00 95.86 10 A 1 ATOM 76 C C . GLY A 1 10 ? -2.961 4.299 1.227 1.00 96.57 10 A 1 ATOM 77 O O . GLY A 1 10 ? -2.925 3.105 0.944 1.00 96.14 10 A 1 ATOM 78 N N . ALA A 1 11 ? -2.099 5.170 0.716 1.00 96.85 11 A 1 ATOM 79 C CA . ALA A 1 11 ? -1.066 4.789 -0.248 1.00 96.93 11 A 1 ATOM 80 C C . ALA A 1 11 ? -0.060 3.800 0.353 1.00 97.13 11 A 1 ATOM 81 O O . ALA A 1 11 ? 0.261 2.788 -0.265 1.00 95.86 11 A 1 ATOM 82 C CB . ALA A 1 11 ? -0.372 6.060 -0.748 1.00 96.21 11 A 1 ATOM 83 N N . PHE A 1 12 ? 0.388 4.034 1.581 1.00 95.21 12 A 1 ATOM 84 C CA . PHE A 1 12 ? 1.301 3.134 2.279 1.00 94.28 12 A 1 ATOM 85 C C . PHE A 1 12 ? 0.658 1.788 2.559 1.00 95.22 12 A 1 ATOM 86 O O . PHE A 1 12 ? 1.298 0.763 2.355 1.00 94.95 12 A 1 ATOM 87 C CB . PHE A 1 12 ? 1.800 3.772 3.579 1.00 93.28 12 A 1 ATOM 88 C CG . PHE A 1 12 ? 3.199 4.327 3.467 1.00 90.71 12 A 1 ATOM 89 C CD1 . PHE A 1 12 ? 3.483 5.379 2.591 1.00 88.11 12 A 1 ATOM 90 C CD2 . PHE A 1 12 ? 4.231 3.766 4.234 1.00 88.95 12 A 1 ATOM 91 C CE1 . PHE A 1 12 ? 4.789 5.868 2.468 1.00 87.65 12 A 1 ATOM 92 C CE2 . PHE A 1 12 ? 5.534 4.257 4.115 1.00 87.61 12 A 1 ATOM 93 C CZ . PHE A 1 12 ? 5.818 5.304 3.230 1.00 87.83 12 A 1 ATOM 94 N N . ALA A 1 13 ? -0.602 1.757 2.965 1.00 95.49 13 A 1 ATOM 95 C CA . ALA A 1 13 ? -1.311 0.510 3.231 1.00 95.58 13 A 1 ATOM 96 C C . ALA A 1 13 ? -1.419 -0.368 1.982 1.00 96.05 13 A 1 ATOM 97 O O . ALA A 1 13 ? -1.264 -1.584 2.079 1.00 94.83 13 A 1 ATOM 98 C CB . ALA A 1 13 ? -2.695 0.837 3.796 1.00 94.66 13 A 1 ATOM 99 N N . VAL A 1 14 ? -1.630 0.216 0.809 1.00 95.60 14 A 1 ATOM 100 C CA . VAL A 1 14 ? -1.672 -0.528 -0.460 1.00 95.47 14 A 1 ATOM 101 C C . VAL A 1 14 ? -0.300 -1.112 -0.793 1.00 95.65 14 A 1 ATOM 102 O O . VAL A 1 14 ? -0.202 -2.291 -1.127 1.00 94.84 14 A 1 ATOM 103 C CB . VAL A 1 14 ? -2.188 0.366 -1.599 1.00 94.73 14 A 1 ATOM 104 C CG1 . VAL A 1 14 ? -2.104 -0.327 -2.959 1.00 92.75 14 A 1 ATOM 105 C CG2 . VAL A 1 14 ? -3.651 0.739 -1.361 1.00 92.00 14 A 1 ATOM 106 N N . ILE A 1 15 ? 0.760 -0.335 -0.660 1.00 95.62 15 A 1 ATOM 107 C CA . ILE A 1 15 ? 2.126 -0.785 -0.948 1.00 94.78 15 A 1 ATOM 108 C C . ILE A 1 15 ? 2.546 -1.884 0.031 1.00 94.30 15 A 1 ATOM 109 O O . ILE A 1 15 ? 3.001 -2.948 -0.390 1.00 93.46 15 A 1 ATOM 110 C CB . ILE A 1 15 ? 3.099 0.410 -0.918 1.00 94.44 15 A 1 ATOM 111 C CG1 . ILE A 1 15 ? 2.764 1.411 -2.046 1.00 93.51 15 A 1 ATOM 112 C CG2 . ILE A 1 15 ? 4.555 -0.076 -1.068 1.00 92.54 15 A 1 ATOM 113 C CD1 . ILE A 1 15 ? 3.433 2.769 -1.863 1.00 89.87 15 A 1 ATOM 114 N N . PHE A 1 16 ? 2.363 -1.666 1.325 1.00 93.78 16 A 1 ATOM 115 C CA . PHE A 1 16 ? 2.700 -2.648 2.354 1.00 91.98 16 A 1 ATOM 116 C C . PHE A 1 16 ? 1.832 -3.896 2.253 1.00 91.99 16 A 1 ATOM 117 O O . PHE A 1 16 ? 2.340 -5.004 2.410 1.00 90.83 16 A 1 ATOM 118 C CB . PHE A 1 16 ? 2.568 -2.019 3.743 1.00 90.76 16 A 1 ATOM 119 C CG . PHE A 1 16 ? 3.869 -1.442 4.246 1.00 88.54 16 A 1 ATOM 120 C CD1 . PHE A 1 16 ? 4.734 -2.250 4.997 1.00 86.01 16 A 1 ATOM 121 C CD2 . PHE A 1 16 ? 4.225 -0.123 3.965 1.00 86.23 16 A 1 ATOM 122 C CE1 . PHE A 1 16 ? 5.947 -1.738 5.468 1.00 84.83 16 A 1 ATOM 123 C CE2 . PHE A 1 16 ? 5.442 0.395 4.430 1.00 84.72 16 A 1 ATOM 124 C CZ . PHE A 1 16 ? 6.304 -0.413 5.184 1.00 84.64 16 A 1 ATOM 125 N N . GLY A 1 17 ? 0.553 -3.753 1.953 1.00 92.86 17 A 1 ATOM 126 C CA . GLY A 1 17 ? -0.336 -4.889 1.734 1.00 91.90 17 A 1 ATOM 127 C C . GLY A 1 17 ? 0.113 -5.739 0.551 1.00 92.10 17 A 1 ATOM 128 O O . GLY A 1 17 ? 0.225 -6.957 0.680 1.00 90.87 17 A 1 ATOM 129 N N . ALA A 1 18 ? 0.441 -5.130 -0.578 1.00 91.74 18 A 1 ATOM 130 C CA . ALA A 1 18 ? 0.918 -5.842 -1.760 1.00 90.98 18 A 1 ATOM 131 C C . ALA A 1 18 ? 2.255 -6.549 -1.508 1.00 91.00 18 A 1 ATOM 132 O O . ALA A 1 18 ? 2.411 -7.713 -1.868 1.00 88.38 18 A 1 ATOM 133 C CB . ALA A 1 18 ? 1.022 -4.854 -2.921 1.00 89.11 18 A 1 ATOM 134 N N . THR A 1 19 ? 3.196 -5.898 -0.841 1.00 90.35 19 A 1 ATOM 135 C CA . THR A 1 19 ? 4.501 -6.497 -0.521 1.00 88.86 19 A 1 ATOM 136 C C . THR A 1 19 ? 4.399 -7.599 0.530 1.00 88.68 19 A 1 ATOM 137 O O . THR A 1 19 ? 5.171 -8.550 0.477 1.00 86.47 19 A 1 ATOM 138 C CB . THR A 1 19 ? 5.506 -5.444 -0.047 1.00 87.23 19 A 1 ATOM 139 O OG1 . THR A 1 19 ? 4.965 -4.636 0.969 1.00 82.84 19 A 1 ATOM 140 C CG2 . THR A 1 19 ? 5.940 -4.532 -1.178 1.00 80.97 19 A 1 ATOM 141 N N . SER A 1 20 ? 3.448 -7.529 1.446 1.00 87.94 20 A 1 ATOM 142 C CA . SER A 1 20 ? 3.244 -8.561 2.468 1.00 85.82 20 A 1 ATOM 143 C C . SER A 1 20 ? 2.599 -9.828 1.908 1.00 85.65 20 A 1 ATOM 144 O O . SER A 1 20 ? 2.854 -10.914 2.419 1.00 83.65 20 A 1 ATOM 145 C CB . SER A 1 20 ? 2.389 -8.008 3.604 1.00 83.20 20 A 1 ATOM 146 O OG . SER A 1 20 ? 2.331 -8.941 4.663 1.00 74.80 20 A 1 ATOM 147 N N . ILE A 1 21 ? 1.758 -9.710 0.876 1.00 86.47 21 A 1 ATOM 148 C CA . ILE A 1 21 ? 1.052 -10.858 0.294 1.00 85.25 21 A 1 ATOM 149 C C . ILE A 1 21 ? 1.952 -11.617 -0.683 1.00 85.39 21 A 1 ATOM 150 O O . ILE A 1 21 ? 1.969 -12.846 -0.674 1.00 82.77 21 A 1 ATOM 151 C CB . ILE A 1 21 ? -0.260 -10.391 -0.366 1.00 83.07 21 A 1 ATOM 152 C CG1 . ILE A 1 21 ? -1.243 -9.862 0.698 1.00 79.07 21 A 1 ATOM 153 C CG2 . ILE A 1 21 ? -0.926 -11.536 -1.156 1.00 75.76 21 A 1 ATOM 154 C CD1 . ILE A 1 21 ? -2.375 -9.012 0.119 1.00 70.88 21 A 1 ATOM 155 N N . ALA A 1 22 ? 2.687 -10.908 -1.528 1.00 84.89 22 A 1 ATOM 156 C CA . ALA A 1 22 ? 3.577 -11.516 -2.511 1.00 83.93 22 A 1 ATOM 157 C C . ALA A 1 22 ? 4.760 -10.584 -2.807 1.00 83.63 22 A 1 ATOM 158 O O . ALA A 1 22 ? 4.685 -9.765 -3.724 1.00 81.10 22 A 1 ATOM 159 C CB . ALA A 1 22 ? 2.776 -11.848 -3.775 1.00 80.57 22 A 1 ATOM 160 N N . PRO A 1 23 ? 5.847 -10.680 -2.039 1.00 82.38 23 A 1 ATOM 161 C CA . PRO A 1 23 ? 7.070 -9.968 -2.377 1.00 80.72 23 A 1 ATOM 162 C C . PRO A 1 23 ? 7.638 -10.556 -3.669 1.00 81.44 23 A 1 ATOM 163 O O . PRO A 1 23 ? 8.120 -11.687 -3.701 1.00 77.30 23 A 1 ATOM 164 C CB . PRO A 1 23 ? 7.992 -10.158 -1.166 1.00 77.62 23 A 1 ATOM 165 C CG . PRO A 1 23 ? 7.535 -11.463 -0.540 1.00 75.15 23 A 1 ATOM 166 C CD . PRO A 1 23 ? 6.043 -11.521 -0.861 1.00 78.32 23 A 1 ATOM 167 N N . THR A 1 24 ? 7.552 -9.802 -4.747 1.00 76.60 24 A 1 ATOM 168 C CA . THR A 1 24 ? 8.210 -10.175 -5.997 1.00 74.78 24 A 1 ATOM 169 C C . THR A 1 24 ? 9.713 -10.015 -5.815 1.00 74.46 24 A 1 ATOM 170 O O . THR A 1 24 ? 10.242 -8.907 -5.886 1.00 71.67 24 A 1 ATOM 171 C CB . THR A 1 24 ? 7.704 -9.328 -7.174 1.00 72.32 24 A 1 ATOM 172 O OG1 . THR A 1 24 ? 7.695 -7.962 -6.834 1.00 65.74 24 A 1 ATOM 173 C CG2 . THR A 1 24 ? 6.288 -9.724 -7.566 1.00 65.90 24 A 1 ATOM 174 N N . MET A 1 25 ? 10.400 -11.110 -5.553 1.00 77.72 25 A 1 ATOM 175 C CA . MET A 1 25 ? 11.858 -11.155 -5.631 1.00 76.00 25 A 1 ATOM 176 C C . MET A 1 25 ? 12.233 -11.248 -7.108 1.00 76.25 25 A 1 ATOM 177 O O . MET A 1 25 ? 12.250 -12.334 -7.677 1.00 72.29 25 A 1 ATOM 178 C CB . MET A 1 25 ? 12.419 -12.338 -4.825 1.00 71.64 25 A 1 ATOM 179 C CG . MET A 1 25 ? 12.109 -12.215 -3.333 1.00 67.42 25 A 1 ATOM 180 S SD . MET A 1 25 ? 13.100 -13.342 -2.319 1.00 63.20 25 A 1 ATOM 181 C CE . MET A 1 25 ? 12.373 -13.028 -0.705 1.00 56.56 25 A 1 ATOM 182 N N . ALA A 1 26 ? 12.467 -10.099 -7.717 1.00 71.14 26 A 1 ATOM 183 C CA . ALA A 1 26 ? 13.054 -9.997 -9.047 1.00 70.84 26 A 1 ATOM 184 C C . ALA A 1 26 ? 14.471 -9.443 -8.924 1.00 67.43 26 A 1 ATOM 185 O O . ALA A 1 26 ? 14.669 -8.517 -8.114 1.00 62.54 26 A 1 ATOM 186 C CB . ALA A 1 26 ? 12.166 -9.140 -9.943 1.00 64.41 26 A 1 ATOM 187 O OXT . ALA A 1 26 ? 15.366 -9.941 -9.645 1.00 58.53 26 A 1 #