# 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_spkb07493 # _entry.id spkb07493 # 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" "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 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" "C11 H12 N2 O2" 204.225 TRP y TRYPTOPHAN c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N ? "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 ILE 2 1 n SER 3 1 n PRO 4 1 n ALA 5 1 n TRP 6 1 n SER 7 1 n LEU 8 1 n PHE 9 1 n LEU 10 1 n ILE 11 1 n GLY 12 1 n THR 13 1 n LYS 14 1 n ILE 15 1 n GLY 16 1 n LEU 17 1 n PHE 18 1 n PHE 19 1 n GLN 20 1 n VAL 21 1 n ALA 22 1 n PRO 23 1 n LEU 24 1 n SER 25 1 n VAL 26 1 n MET 27 1 n ALA 28 # _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 @ 2025-07-10 11:45:38)" _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 89.79 _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 79.34 1 1 A ILE 2 2 80.78 1 2 A SER 3 2 89.05 1 3 A PRO 4 2 92.07 1 4 A ALA 5 2 95.48 1 5 A TRP 6 2 89.25 1 6 A SER 7 2 93.87 1 7 A LEU 8 2 93.93 1 8 A PHE 9 2 93.36 1 9 A LEU 10 2 92.97 1 10 A ILE 11 2 93.98 1 11 A GLY 12 2 96.49 1 12 A THR 13 2 94.11 1 13 A LYS 14 2 90.23 1 14 A ILE 15 2 94.55 1 15 A GLY 16 2 96.36 1 16 A LEU 17 2 92.69 1 17 A PHE 18 2 90.20 1 18 A PHE 19 2 90.17 1 19 A GLN 20 2 86.50 1 20 A VAL 21 2 91.87 1 21 A ALA 22 2 92.55 1 22 A PRO 23 2 90.57 1 23 A LEU 24 2 87.10 1 24 A SER 25 2 87.17 1 25 A VAL 26 2 87.79 1 26 A MET 27 2 80.47 1 27 A ALA 28 2 78.48 1 28 # _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 ILE . 2 A 2 A 3 1 n SER . 3 A 3 A 4 1 n PRO . 4 A 4 A 5 1 n ALA . 5 A 5 A 6 1 n TRP . 6 A 6 A 7 1 n SER . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n PHE . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n ILE . 11 A 11 A 12 1 n GLY . 12 A 12 A 13 1 n THR . 13 A 13 A 14 1 n LYS . 14 A 14 A 15 1 n ILE . 15 A 15 A 16 1 n GLY . 16 A 16 A 17 1 n LEU . 17 A 17 A 18 1 n PHE . 18 A 18 A 19 1 n PHE . 19 A 19 A 20 1 n GLN . 20 A 20 A 21 1 n VAL . 21 A 21 A 22 1 n ALA . 22 A 22 A 23 1 n PRO . 23 A 23 A 24 1 n LEU . 24 A 24 A 25 1 n SER . 25 A 25 A 26 1 n VAL . 26 A 26 A 27 1 n MET . 27 A 27 A 28 1 n ALA . 28 A 28 # _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 ? -19.187 6.811 -6.842 1.00 84.01 1 A 1 ATOM 2 C CA . MET A 1 1 ? -19.122 6.365 -5.431 1.00 87.13 1 A 1 ATOM 3 C C . MET A 1 1 ? -18.132 5.216 -5.360 1.00 87.65 1 A 1 ATOM 4 O O . MET A 1 1 ? -18.319 4.232 -6.060 1.00 83.34 1 A 1 ATOM 5 C CB . MET A 1 1 ? -20.506 5.916 -4.936 1.00 80.86 1 A 1 ATOM 6 C CG . MET A 1 1 ? -21.418 7.118 -4.668 1.00 75.50 1 A 1 ATOM 7 S SD . MET A 1 1 ? -23.119 6.610 -4.318 1.00 71.03 1 A 1 ATOM 8 C CE . MET A 1 1 ? -23.418 7.476 -2.759 1.00 65.18 1 A 1 ATOM 9 N N . ILE A 1 2 ? -17.043 5.347 -4.599 1.00 85.15 2 A 1 ATOM 10 C CA . ILE A 1 2 ? -16.050 4.281 -4.424 1.00 87.16 2 A 1 ATOM 11 C C . ILE A 1 2 ? -16.572 3.351 -3.332 1.00 89.37 2 A 1 ATOM 12 O O . ILE A 1 2 ? -16.926 3.813 -2.248 1.00 87.92 2 A 1 ATOM 13 C CB . ILE A 1 2 ? -14.662 4.865 -4.106 1.00 82.12 2 A 1 ATOM 14 C CG1 . ILE A 1 2 ? -14.181 5.764 -5.267 1.00 75.64 2 A 1 ATOM 15 C CG2 . ILE A 1 2 ? -13.649 3.733 -3.852 1.00 72.99 2 A 1 ATOM 16 C CD1 . ILE A 1 2 ? -12.878 6.516 -4.979 1.00 65.93 2 A 1 ATOM 17 N N . SER A 1 3 ? -16.661 2.053 -3.623 1.00 89.45 3 A 1 ATOM 18 C CA . SER A 1 3 ? -17.104 1.064 -2.641 1.00 91.84 3 A 1 ATOM 19 C C . SER A 1 3 ? -16.106 0.998 -1.476 1.00 93.55 3 A 1 ATOM 20 O O . SER A 1 3 ? -14.897 1.021 -1.727 1.00 92.96 3 A 1 ATOM 21 C CB . SER A 1 3 ? -17.252 -0.305 -3.306 1.00 88.23 3 A 1 ATOM 22 O OG . SER A 1 3 ? -17.574 -1.292 -2.343 1.00 78.24 3 A 1 ATOM 23 N N . PRO A 1 4 ? -16.575 0.861 -0.216 1.00 92.82 4 A 1 ATOM 24 C CA . PRO A 1 4 ? -15.688 0.678 0.937 1.00 94.21 4 A 1 ATOM 25 C C . PRO A 1 4 ? -14.703 -0.480 0.752 1.00 95.44 4 A 1 ATOM 26 O O . PRO A 1 4 ? -13.544 -0.379 1.156 1.00 93.97 4 A 1 ATOM 27 C CB . PRO A 1 4 ? -16.626 0.424 2.125 1.00 90.98 4 A 1 ATOM 28 C CG . PRO A 1 4 ? -17.941 1.062 1.711 1.00 87.26 4 A 1 ATOM 29 C CD . PRO A 1 4 ? -17.971 0.899 0.199 1.00 89.82 4 A 1 ATOM 30 N N . ALA A 1 5 ? -15.129 -1.552 0.081 1.00 94.95 5 A 1 ATOM 31 C CA . ALA A 1 5 ? -14.272 -2.691 -0.244 1.00 95.97 5 A 1 ATOM 32 C C . ALA A 1 5 ? -13.114 -2.305 -1.178 1.00 96.27 5 A 1 ATOM 33 O O . ALA A 1 5 ? -11.996 -2.785 -1.005 1.00 95.31 5 A 1 ATOM 34 C CB . ALA A 1 5 ? -15.146 -3.783 -0.875 1.00 94.92 5 A 1 ATOM 35 N N . TRP A 1 6 ? -13.363 -1.396 -2.140 1.00 96.21 6 A 1 ATOM 36 C CA . TRP A 1 6 ? -12.331 -0.890 -3.048 1.00 95.75 6 A 1 ATOM 37 C C . TRP A 1 6 ? -11.316 -0.026 -2.307 1.00 96.39 6 A 1 ATOM 38 O O . TRP A 1 6 ? -10.112 -0.153 -2.529 1.00 95.78 6 A 1 ATOM 39 C CB . TRP A 1 6 ? -12.994 -0.112 -4.185 1.00 94.45 6 A 1 ATOM 40 C CG . TRP A 1 6 ? -12.039 0.258 -5.270 1.00 91.10 6 A 1 ATOM 41 C CD1 . TRP A 1 6 ? -11.515 1.488 -5.489 1.00 86.99 6 A 1 ATOM 42 C CD2 . TRP A 1 6 ? -11.464 -0.614 -6.287 1.00 89.29 6 A 1 ATOM 43 N NE1 . TRP A 1 6 ? -10.654 1.436 -6.580 1.00 85.13 6 A 1 ATOM 44 C CE2 . TRP A 1 6 ? -10.596 0.166 -7.100 1.00 87.86 6 A 1 ATOM 45 C CE3 . TRP A 1 6 ? -11.601 -1.985 -6.595 1.00 82.93 6 A 1 ATOM 46 C CZ2 . TRP A 1 6 ? -9.881 -0.395 -8.181 1.00 84.92 6 A 1 ATOM 47 C CZ3 . TRP A 1 6 ? -10.891 -2.543 -7.674 1.00 81.40 6 A 1 ATOM 48 C CH2 . TRP A 1 6 ? -10.037 -1.753 -8.457 1.00 81.30 6 A 1 ATOM 49 N N . SER A 1 7 ? -11.765 0.810 -1.363 1.00 96.67 7 A 1 ATOM 50 C CA . SER A 1 7 ? -10.879 1.609 -0.513 1.00 96.31 7 A 1 ATOM 51 C C . SER A 1 7 ? -9.993 0.724 0.365 1.00 96.63 7 A 1 ATOM 52 O O . SER A 1 7 ? -8.793 0.964 0.448 1.00 95.68 7 A 1 ATOM 53 C CB . SER A 1 7 ? -11.695 2.554 0.366 1.00 94.96 7 A 1 ATOM 54 O OG . SER A 1 7 ? -12.463 3.428 -0.443 1.00 82.97 7 A 1 ATOM 55 N N . LEU A 1 8 ? -10.549 -0.322 0.966 1.00 97.13 8 A 1 ATOM 56 C CA . LEU A 1 8 ? -9.780 -1.291 1.757 1.00 96.95 8 A 1 ATOM 57 C C . LEU A 1 8 ? -8.753 -2.033 0.899 1.00 97.07 8 A 1 ATOM 58 O O . LEU A 1 8 ? -7.610 -2.198 1.323 1.00 96.84 8 A 1 ATOM 59 C CB . LEU A 1 8 ? -10.738 -2.288 2.425 1.00 96.54 8 A 1 ATOM 60 C CG . LEU A 1 8 ? -11.552 -1.700 3.586 1.00 91.18 8 A 1 ATOM 61 C CD1 . LEU A 1 8 ? -12.606 -2.712 4.031 1.00 87.61 8 A 1 ATOM 62 C CD2 . LEU A 1 8 ? -10.674 -1.360 4.789 1.00 88.15 8 A 1 ATOM 63 N N . PHE A 1 9 ? -9.126 -2.420 -0.330 1.00 96.67 9 A 1 ATOM 64 C CA . PHE A 1 9 ? -8.205 -3.041 -1.280 1.00 96.19 9 A 1 ATOM 65 C C . PHE A 1 9 ? -7.037 -2.110 -1.632 1.00 96.53 9 A 1 ATOM 66 O O . PHE A 1 9 ? -5.879 -2.525 -1.569 1.00 96.05 9 A 1 ATOM 67 C CB . PHE A 1 9 ? -8.983 -3.458 -2.530 1.00 95.84 9 A 1 ATOM 68 C CG . PHE A 1 9 ? -8.099 -4.067 -3.593 1.00 94.27 9 A 1 ATOM 69 C CD1 . PHE A 1 9 ? -7.632 -3.285 -4.665 1.00 90.80 9 A 1 ATOM 70 C CD2 . PHE A 1 9 ? -7.702 -5.412 -3.484 1.00 91.27 9 A 1 ATOM 71 C CE1 . PHE A 1 9 ? -6.774 -3.848 -5.624 1.00 89.59 9 A 1 ATOM 72 C CE2 . PHE A 1 9 ? -6.843 -5.970 -4.444 1.00 89.85 9 A 1 ATOM 73 C CZ . PHE A 1 9 ? -6.377 -5.189 -5.512 1.00 89.91 9 A 1 ATOM 74 N N . LEU A 1 10 ? -7.319 -0.841 -1.922 1.00 96.53 10 A 1 ATOM 75 C CA . LEU A 1 10 ? -6.281 0.145 -2.229 1.00 96.06 10 A 1 ATOM 76 C C . LEU A 1 10 ? -5.355 0.401 -1.035 1.00 96.24 10 A 1 ATOM 77 O O . LEU A 1 10 ? -4.141 0.493 -1.210 1.00 96.07 10 A 1 ATOM 78 C CB . LEU A 1 10 ? -6.933 1.459 -2.681 1.00 95.57 10 A 1 ATOM 79 C CG . LEU A 1 10 ? -7.561 1.419 -4.084 1.00 89.66 10 A 1 ATOM 80 C CD1 . LEU A 1 10 ? -8.272 2.747 -4.344 1.00 86.72 10 A 1 ATOM 81 C CD2 . LEU A 1 10 ? -6.519 1.206 -5.182 1.00 86.95 10 A 1 ATOM 82 N N . ILE A 1 11 ? -5.902 0.494 0.179 1.00 96.33 11 A 1 ATOM 83 C CA . ILE A 1 11 ? -5.121 0.662 1.409 1.00 95.88 11 A 1 ATOM 84 C C . ILE A 1 11 ? -4.234 -0.563 1.635 1.00 96.32 11 A 1 ATOM 85 O O . ILE A 1 11 ? -3.031 -0.412 1.848 1.00 95.94 11 A 1 ATOM 86 C CB . ILE A 1 11 ? -6.051 0.943 2.606 1.00 95.20 11 A 1 ATOM 87 C CG1 . ILE A 1 11 ? -6.714 2.337 2.463 1.00 92.81 11 A 1 ATOM 88 C CG2 . ILE A 1 11 ? -5.277 0.882 3.938 1.00 92.15 11 A 1 ATOM 89 C CD1 . ILE A 1 11 ? -7.922 2.538 3.387 1.00 87.24 11 A 1 ATOM 90 N N . GLY A 1 12 ? -4.796 -1.765 1.538 1.00 96.46 12 A 1 ATOM 91 C CA . GLY A 1 12 ? -4.038 -3.008 1.678 1.00 96.38 12 A 1 ATOM 92 C C . GLY A 1 12 ? -2.914 -3.130 0.653 1.00 96.83 12 A 1 ATOM 93 O O . GLY A 1 12 ? -1.785 -3.471 1.011 1.00 96.28 12 A 1 ATOM 94 N N . THR A 1 13 ? -3.175 -2.765 -0.606 1.00 96.65 13 A 1 ATOM 95 C CA . THR A 1 13 ? -2.163 -2.773 -1.673 1.00 96.41 13 A 1 ATOM 96 C C . THR A 1 13 ? -1.053 -1.761 -1.399 1.00 96.72 13 A 1 ATOM 97 O O . THR A 1 13 ? 0.120 -2.090 -1.555 1.00 95.47 13 A 1 ATOM 98 C CB . THR A 1 13 ? -2.799 -2.484 -3.040 1.00 95.57 13 A 1 ATOM 99 O OG1 . THR A 1 13 ? -3.837 -3.400 -3.295 1.00 90.51 13 A 1 ATOM 100 C CG2 . THR A 1 13 ? -1.810 -2.637 -4.192 1.00 87.44 13 A 1 ATOM 101 N N . LYS A 1 14 ? -1.388 -0.550 -0.943 1.00 96.37 14 A 1 ATOM 102 C CA . LYS A 1 14 ? -0.390 0.464 -0.575 1.00 96.23 14 A 1 ATOM 103 C C . LYS A 1 14 ? 0.472 0.005 0.595 1.00 96.35 14 A 1 ATOM 104 O O . LYS A 1 14 ? 1.692 0.084 0.502 1.00 95.98 14 A 1 ATOM 105 C CB . LYS A 1 14 ? -1.065 1.800 -0.242 1.00 95.86 14 A 1 ATOM 106 C CG . LYS A 1 14 ? -1.473 2.555 -1.510 1.00 91.00 14 A 1 ATOM 107 C CD . LYS A 1 14 ? -2.096 3.901 -1.134 1.00 86.18 14 A 1 ATOM 108 C CE . LYS A 1 14 ? -2.447 4.689 -2.398 1.00 80.98 14 A 1 ATOM 109 N NZ . LYS A 1 14 ? -2.876 6.074 -2.067 1.00 73.14 14 A 1 ATOM 110 N N . ILE A 1 15 ? -0.132 -0.521 1.656 1.00 96.98 15 A 1 ATOM 111 C CA . ILE A 1 15 ? 0.594 -1.039 2.819 1.00 96.74 15 A 1 ATOM 112 C C . ILE A 1 15 ? 1.507 -2.192 2.396 1.00 96.66 15 A 1 ATOM 113 O O . ILE A 1 15 ? 2.688 -2.185 2.736 1.00 95.94 15 A 1 ATOM 114 C CB . ILE A 1 15 ? -0.391 -1.446 3.929 1.00 96.37 15 A 1 ATOM 115 C CG1 . ILE A 1 15 ? -1.085 -0.194 4.512 1.00 93.92 15 A 1 ATOM 116 C CG2 . ILE A 1 15 ? 0.330 -2.211 5.057 1.00 92.46 15 A 1 ATOM 117 C CD1 . ILE A 1 15 ? -2.266 -0.521 5.429 1.00 87.30 15 A 1 ATOM 118 N N . GLY A 1 16 ? 0.994 -3.138 1.615 1.00 96.87 16 A 1 ATOM 119 C CA . GLY A 1 16 ? 1.797 -4.243 1.084 1.00 96.39 16 A 1 ATOM 120 C C . GLY A 1 16 ? 2.977 -3.762 0.238 1.00 96.56 16 A 1 ATOM 121 O O . GLY A 1 16 ? 4.091 -4.263 0.401 1.00 95.61 16 A 1 ATOM 122 N N . LEU A 1 17 ? 2.774 -2.751 -0.606 1.00 96.29 17 A 1 ATOM 123 C CA . LEU A 1 17 ? 3.842 -2.143 -1.397 1.00 96.01 17 A 1 ATOM 124 C C . LEU A 1 17 ? 4.884 -1.465 -0.501 1.00 96.25 17 A 1 ATOM 125 O O . LEU A 1 17 ? 6.075 -1.668 -0.704 1.00 95.72 17 A 1 ATOM 126 C CB . LEU A 1 17 ? 3.228 -1.148 -2.392 1.00 95.68 17 A 1 ATOM 127 C CG . LEU A 1 17 ? 4.240 -0.617 -3.421 1.00 89.84 17 A 1 ATOM 128 C CD1 . LEU A 1 17 ? 4.584 -1.679 -4.463 1.00 85.51 17 A 1 ATOM 129 C CD2 . LEU A 1 17 ? 3.658 0.598 -4.137 1.00 86.21 17 A 1 ATOM 130 N N . PHE A 1 18 ? 4.465 -0.705 0.529 1.00 95.56 18 A 1 ATOM 131 C CA . PHE A 1 18 ? 5.388 -0.096 1.487 1.00 94.82 18 A 1 ATOM 132 C C . PHE A 1 18 ? 6.215 -1.146 2.225 1.00 94.99 18 A 1 ATOM 133 O O . PHE A 1 18 ? 7.425 -0.974 2.364 1.00 94.18 18 A 1 ATOM 134 C CB . PHE A 1 18 ? 4.624 0.782 2.483 1.00 94.18 18 A 1 ATOM 135 C CG . PHE A 1 18 ? 4.336 2.179 1.968 1.00 90.90 18 A 1 ATOM 136 C CD1 . PHE A 1 18 ? 5.395 3.077 1.774 1.00 86.07 18 A 1 ATOM 137 C CD2 . PHE A 1 18 ? 3.022 2.585 1.689 1.00 86.39 18 A 1 ATOM 138 C CE1 . PHE A 1 18 ? 5.152 4.368 1.288 1.00 84.92 18 A 1 ATOM 139 C CE2 . PHE A 1 18 ? 2.776 3.877 1.200 1.00 85.42 18 A 1 ATOM 140 C CZ . PHE A 1 18 ? 3.842 4.768 0.996 1.00 84.74 18 A 1 ATOM 141 N N . PHE A 1 19 ? 5.603 -2.265 2.644 1.00 95.38 19 A 1 ATOM 142 C CA . PHE A 1 19 ? 6.321 -3.357 3.300 1.00 94.58 19 A 1 ATOM 143 C C . PHE A 1 19 ? 7.273 -4.104 2.364 1.00 94.75 19 A 1 ATOM 144 O O . PHE A 1 19 ? 8.221 -4.717 2.851 1.00 93.23 19 A 1 ATOM 145 C CB . PHE A 1 19 ? 5.325 -4.329 3.934 1.00 93.96 19 A 1 ATOM 146 C CG . PHE A 1 19 ? 4.906 -3.926 5.331 1.00 91.57 19 A 1 ATOM 147 C CD1 . PHE A 1 19 ? 5.816 -4.060 6.391 1.00 86.22 19 A 1 ATOM 148 C CD2 . PHE A 1 19 ? 3.621 -3.431 5.581 1.00 86.58 19 A 1 ATOM 149 C CE1 . PHE A 1 19 ? 5.447 -3.695 7.693 1.00 85.13 19 A 1 ATOM 150 C CE2 . PHE A 1 19 ? 3.248 -3.063 6.882 1.00 84.97 19 A 1 ATOM 151 C CZ . PHE A 1 19 ? 4.160 -3.194 7.938 1.00 85.48 19 A 1 ATOM 152 N N . GLN A 1 20 ? 7.062 -4.076 1.041 1.00 93.97 20 A 1 ATOM 153 C CA . GLN A 1 20 ? 7.993 -4.662 0.074 1.00 93.52 20 A 1 ATOM 154 C C . GLN A 1 20 ? 9.114 -3.692 -0.303 1.00 94.13 20 A 1 ATOM 155 O O . GLN A 1 20 ? 10.272 -4.098 -0.406 1.00 91.73 20 A 1 ATOM 156 C CB . GLN A 1 20 ? 7.229 -5.113 -1.172 1.00 91.86 20 A 1 ATOM 157 C CG . GLN A 1 20 ? 6.384 -6.364 -0.895 1.00 84.49 20 A 1 ATOM 158 C CD . GLN A 1 20 ? 5.608 -6.825 -2.121 1.00 80.54 20 A 1 ATOM 159 O OE1 . GLN A 1 20 ? 5.819 -6.400 -3.247 1.00 75.05 20 A 1 ATOM 160 N NE2 . GLN A 1 20 ? 4.678 -7.736 -1.958 1.00 73.17 20 A 1 ATOM 161 N N . VAL A 1 21 ? 8.794 -2.413 -0.490 1.00 94.06 21 A 1 ATOM 162 C CA . VAL A 1 21 ? 9.758 -1.403 -0.953 1.00 93.91 21 A 1 ATOM 163 C C . VAL A 1 21 ? 10.641 -0.899 0.188 1.00 94.22 21 A 1 ATOM 164 O O . VAL A 1 21 ? 11.834 -0.685 -0.023 1.00 92.93 21 A 1 ATOM 165 C CB . VAL A 1 21 ? 9.021 -0.247 -1.658 1.00 92.54 21 A 1 ATOM 166 C CG1 . VAL A 1 21 ? 9.970 0.875 -2.078 1.00 87.65 21 A 1 ATOM 167 C CG2 . VAL A 1 21 ? 8.320 -0.744 -2.928 1.00 87.78 21 A 1 ATOM 168 N N . ALA A 1 22 ? 10.099 -0.749 1.410 1.00 93.93 22 A 1 ATOM 169 C CA . ALA A 1 22 ? 10.875 -0.259 2.547 1.00 92.93 22 A 1 ATOM 170 C C . ALA A 1 22 ? 12.079 -1.158 2.890 1.00 92.96 22 A 1 ATOM 171 O O . ALA A 1 22 ? 13.190 -0.632 2.954 1.00 91.73 22 A 1 ATOM 172 C CB . ALA A 1 22 ? 9.950 0.004 3.746 1.00 91.22 22 A 1 ATOM 173 N N . PRO A 1 23 ? 11.939 -2.490 3.060 1.00 92.66 23 A 1 ATOM 174 C CA . PRO A 1 23 ? 13.104 -3.339 3.318 1.00 92.58 23 A 1 ATOM 175 C C . PRO A 1 23 ? 14.042 -3.421 2.113 1.00 92.77 23 A 1 ATOM 176 O O . PRO A 1 23 ? 15.255 -3.469 2.304 1.00 90.28 23 A 1 ATOM 177 C CB . PRO A 1 23 ? 12.536 -4.712 3.699 1.00 89.56 23 A 1 ATOM 178 C CG . PRO A 1 23 ? 11.159 -4.729 3.061 1.00 86.64 23 A 1 ATOM 179 C CD . PRO A 1 23 ? 10.727 -3.269 3.117 1.00 89.48 23 A 1 ATOM 180 N N . LEU A 1 24 ? 13.520 -3.373 0.886 1.00 92.02 24 A 1 ATOM 181 C CA . LEU A 1 24 ? 14.348 -3.354 -0.321 1.00 91.96 24 A 1 ATOM 182 C C . LEU A 1 24 ? 15.206 -2.086 -0.397 1.00 92.73 24 A 1 ATOM 183 O O . LEU A 1 24 ? 16.374 -2.154 -0.764 1.00 90.94 24 A 1 ATOM 184 C CB . LEU A 1 24 ? 13.436 -3.481 -1.551 1.00 90.09 24 A 1 ATOM 185 C CG . LEU A 1 24 ? 14.200 -3.868 -2.826 1.00 83.41 24 A 1 ATOM 186 C CD1 . LEU A 1 24 ? 14.514 -5.367 -2.845 1.00 79.08 24 A 1 ATOM 187 C CD2 . LEU A 1 24 ? 13.363 -3.542 -4.063 1.00 76.59 24 A 1 ATOM 188 N N . SER A 1 25 ? 14.656 -0.940 0.004 1.00 89.72 25 A 1 ATOM 189 C CA . SER A 1 25 ? 15.384 0.333 0.045 1.00 89.81 25 A 1 ATOM 190 C C . SER A 1 25 ? 16.405 0.409 1.180 1.00 90.10 25 A 1 ATOM 191 O O . SER A 1 25 ? 17.337 1.200 1.087 1.00 88.20 25 A 1 ATOM 192 C CB . SER A 1 25 ? 14.396 1.490 0.180 1.00 87.74 25 A 1 ATOM 193 O OG . SER A 1 25 ? 15.074 2.730 0.064 1.00 77.47 25 A 1 ATOM 194 N N . VAL A 1 26 ? 16.232 -0.351 2.259 1.00 90.88 26 A 1 ATOM 195 C CA . VAL A 1 26 ? 17.182 -0.416 3.388 1.00 90.95 26 A 1 ATOM 196 C C . VAL A 1 26 ? 18.318 -1.403 3.096 1.00 90.99 26 A 1 ATOM 197 O O . VAL A 1 26 ? 19.418 -1.246 3.624 1.00 89.54 26 A 1 ATOM 198 C CB . VAL A 1 26 ? 16.437 -0.769 4.691 1.00 88.58 26 A 1 ATOM 199 C CG1 . VAL A 1 26 ? 17.371 -1.022 5.882 1.00 81.97 26 A 1 ATOM 200 C CG2 . VAL A 1 26 ? 15.499 0.368 5.105 1.00 81.64 26 A 1 ATOM 201 N N . MET A 1 27 ? 18.068 -2.400 2.251 1.00 88.44 27 A 1 ATOM 202 C CA . MET A 1 27 ? 19.063 -3.396 1.831 1.00 87.59 27 A 1 ATOM 203 C C . MET A 1 27 ? 19.832 -3.006 0.556 1.00 86.86 27 A 1 ATOM 204 O O . MET A 1 27 ? 20.732 -3.743 0.163 1.00 84.07 27 A 1 ATOM 205 C CB . MET A 1 27 ? 18.382 -4.760 1.663 1.00 83.30 27 A 1 ATOM 206 C CG . MET A 1 27 ? 18.031 -5.384 3.019 1.00 78.04 27 A 1 ATOM 207 S SD . MET A 1 27 ? 17.412 -7.087 2.866 1.00 71.28 27 A 1 ATOM 208 C CE . MET A 1 27 ? 18.154 -7.802 4.352 1.00 64.14 27 A 1 ATOM 209 N N . ALA A 1 28 ? 19.480 -1.891 -0.089 1.00 84.93 28 A 1 ATOM 210 C CA . ALA A 1 28 ? 20.165 -1.376 -1.273 1.00 83.82 28 A 1 ATOM 211 C C . ALA A 1 28 ? 21.339 -0.462 -0.914 1.00 80.14 28 A 1 ATOM 212 O O . ALA A 1 28 ? 21.257 0.239 0.121 1.00 74.80 28 A 1 ATOM 213 C CB . ALA A 1 28 ? 19.152 -0.678 -2.178 1.00 77.60 28 A 1 ATOM 214 O OXT . ALA A 1 28 ? 22.313 -0.452 -1.700 1.00 69.58 28 A 1 #