# 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_spkb30291 # _entry.id spkb30291 # 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" "C3 H7 N O2 S" 121.158 CYS y CYSTEINE C([C@@H](C(=O)O)N)S ? "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" "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 ALA 2 1 n PRO 3 1 n ARG 4 1 n SER 5 1 n SER 6 1 n ARG 7 1 n GLY 8 1 n ILE 9 1 n ALA 10 1 n PRO 11 1 n ALA 12 1 n MET 13 1 n LEU 14 1 n CYS 15 1 n GLY 16 1 n LEU 17 1 n SER 18 1 n LEU 19 1 n PHE 20 1 n LEU 21 1 n GLY 22 1 n PHE 23 1 n PRO 24 1 n GLY 25 1 n LEU 26 1 n VAL 27 1 n TRP 28 1 n VAL 29 # _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 @ 2025-07-13 13:25:39)" _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 73.90 _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 60.52 1 1 A ALA 2 2 66.72 1 2 A PRO 3 2 63.29 1 3 A ARG 4 2 60.10 1 4 A SER 5 2 65.36 1 5 A SER 6 2 64.55 1 6 A ARG 7 2 65.93 1 7 A GLY 8 2 75.16 1 8 A ILE 9 2 75.77 1 9 A ALA 10 2 83.40 1 10 A PRO 11 2 81.11 1 11 A ALA 12 2 84.90 1 12 A MET 13 2 79.29 1 13 A LEU 14 2 81.79 1 14 A CYS 15 2 83.07 1 15 A GLY 16 2 84.44 1 16 A LEU 17 2 82.21 1 17 A SER 18 2 81.68 1 18 A LEU 19 2 81.03 1 19 A PHE 20 2 79.11 1 20 A LEU 21 2 80.73 1 21 A GLY 22 2 80.85 1 22 A PHE 23 2 73.39 1 23 A PRO 24 2 79.62 1 24 A GLY 25 2 75.19 1 25 A LEU 26 2 72.47 1 26 A VAL 27 2 72.85 1 27 A TRP 28 2 67.07 1 28 A VAL 29 2 67.87 1 29 # _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 ARG . 4 A 4 A 5 1 n SER . 5 A 5 A 6 1 n SER . 6 A 6 A 7 1 n ARG . 7 A 7 A 8 1 n GLY . 8 A 8 A 9 1 n ILE . 9 A 9 A 10 1 n ALA . 10 A 10 A 11 1 n PRO . 11 A 11 A 12 1 n ALA . 12 A 12 A 13 1 n MET . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n CYS . 15 A 15 A 16 1 n GLY . 16 A 16 A 17 1 n LEU . 17 A 17 A 18 1 n SER . 18 A 18 A 19 1 n LEU . 19 A 19 A 20 1 n PHE . 20 A 20 A 21 1 n LEU . 21 A 21 A 22 1 n GLY . 22 A 22 A 23 1 n PHE . 23 A 23 A 24 1 n PRO . 24 A 24 A 25 1 n GLY . 25 A 25 A 26 1 n LEU . 26 A 26 A 27 1 n VAL . 27 A 27 A 28 1 n TRP . 28 A 28 A 29 1 n VAL . 29 A 29 # _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 ? -29.705 -0.223 2.389 1.00 62.83 1 A 1 ATOM 2 C CA . MET A 1 1 ? -28.366 0.017 2.975 1.00 66.26 1 A 1 ATOM 3 C C . MET A 1 1 ? -27.399 -0.975 2.343 1.00 68.23 1 A 1 ATOM 4 O O . MET A 1 1 ? -27.623 -2.169 2.462 1.00 61.81 1 A 1 ATOM 5 C CB . MET A 1 1 ? -28.400 -0.142 4.501 1.00 61.85 1 A 1 ATOM 6 C CG . MET A 1 1 ? -29.100 1.052 5.175 1.00 58.18 1 A 1 ATOM 7 S SD . MET A 1 1 ? -29.166 0.888 6.982 1.00 54.87 1 A 1 ATOM 8 C CE . MET A 1 1 ? -29.855 2.488 7.448 1.00 50.11 1 A 1 ATOM 9 N N . ALA A 1 2 ? -26.401 -0.512 1.600 1.00 67.15 2 A 1 ATOM 10 C CA . ALA A 1 2 ? -25.433 -1.385 0.935 1.00 68.01 2 A 1 ATOM 11 C C . ALA A 1 2 ? -24.514 -2.065 1.973 1.00 69.39 2 A 1 ATOM 12 O O . ALA A 1 2 ? -24.161 -1.425 2.970 1.00 65.48 2 A 1 ATOM 13 C CB . ALA A 1 2 ? -24.633 -0.557 -0.071 1.00 63.58 2 A 1 ATOM 14 N N . PRO A 1 3 ? -24.124 -3.336 1.768 1.00 63.46 3 A 1 ATOM 15 C CA . PRO A 1 3 ? -23.222 -4.032 2.677 1.00 64.97 3 A 1 ATOM 16 C C . PRO A 1 3 ? -21.875 -3.309 2.692 1.00 67.49 3 A 1 ATOM 17 O O . PRO A 1 3 ? -21.227 -3.117 1.659 1.00 63.14 3 A 1 ATOM 18 C CB . PRO A 1 3 ? -23.145 -5.476 2.165 1.00 61.38 3 A 1 ATOM 19 C CG . PRO A 1 3 ? -23.500 -5.362 0.686 1.00 59.33 3 A 1 ATOM 20 C CD . PRO A 1 3 ? -24.456 -4.172 0.628 1.00 63.26 3 A 1 ATOM 21 N N . ARG A 1 4 ? -21.460 -2.872 3.876 1.00 67.61 4 A 1 ATOM 22 C CA . ARG A 1 4 ? -20.185 -2.206 4.149 1.00 68.94 4 A 1 ATOM 23 C C . ARG A 1 4 ? -19.067 -3.226 3.922 1.00 70.38 4 A 1 ATOM 24 O O . ARG A 1 4 ? -18.648 -3.919 4.840 1.00 65.53 4 A 1 ATOM 25 C CB . ARG A 1 4 ? -20.239 -1.629 5.578 1.00 65.56 4 A 1 ATOM 26 C CG . ARG A 1 4 ? -19.518 -0.286 5.741 1.00 59.60 4 A 1 ATOM 27 C CD . ARG A 1 4 ? -19.706 0.205 7.181 1.00 59.61 4 A 1 ATOM 28 N NE . ARG A 1 4 ? -19.277 1.602 7.372 1.00 54.71 4 A 1 ATOM 29 C CZ . ARG A 1 4 ? -19.437 2.315 8.480 1.00 51.88 4 A 1 ATOM 30 N NH1 . ARG A 1 4 ? -19.992 1.814 9.547 1.00 48.60 4 A 1 ATOM 31 N NH2 . ARG A 1 4 ? -19.033 3.555 8.528 1.00 48.65 4 A 1 ATOM 32 N N . SER A 1 5 ? -18.643 -3.380 2.667 1.00 67.64 5 A 1 ATOM 33 C CA . SER A 1 5 ? -17.600 -4.316 2.269 1.00 68.26 5 A 1 ATOM 34 C C . SER A 1 5 ? -16.286 -3.911 2.938 1.00 70.86 5 A 1 ATOM 35 O O . SER A 1 5 ? -15.731 -2.864 2.617 1.00 65.62 5 A 1 ATOM 36 C CB . SER A 1 5 ? -17.482 -4.330 0.747 1.00 63.78 5 A 1 ATOM 37 O OG . SER A 1 5 ? -16.526 -5.280 0.349 1.00 55.98 5 A 1 ATOM 38 N N . SER A 1 6 ? -15.755 -4.747 3.845 1.00 66.59 6 A 1 ATOM 39 C CA . SER A 1 6 ? -14.446 -4.608 4.506 1.00 66.85 6 A 1 ATOM 40 C C . SER A 1 6 ? -13.259 -4.681 3.536 1.00 69.45 6 A 1 ATOM 41 O O . SER A 1 6 ? -12.108 -4.765 3.957 1.00 64.56 6 A 1 ATOM 42 C CB . SER A 1 6 ? -14.298 -5.686 5.586 1.00 63.03 6 A 1 ATOM 43 O OG . SER A 1 6 ? -15.404 -5.656 6.474 1.00 56.82 6 A 1 ATOM 44 N N . ARG A 1 7 ? -13.508 -4.619 2.210 1.00 73.68 7 A 1 ATOM 45 C CA . ARG A 1 7 ? -12.490 -4.635 1.149 1.00 75.89 7 A 1 ATOM 46 C C . ARG A 1 7 ? -11.633 -3.365 1.114 1.00 78.25 7 A 1 ATOM 47 O O . ARG A 1 7 ? -10.685 -3.325 0.342 1.00 72.64 7 A 1 ATOM 48 C CB . ARG A 1 7 ? -13.156 -4.855 -0.218 1.00 72.37 7 A 1 ATOM 49 C CG . ARG A 1 7 ? -13.845 -6.223 -0.352 1.00 66.20 7 A 1 ATOM 50 C CD . ARG A 1 7 ? -14.431 -6.371 -1.757 1.00 64.65 7 A 1 ATOM 51 N NE . ARG A 1 7 ? -15.361 -7.507 -1.844 1.00 59.69 7 A 1 ATOM 52 C CZ . ARG A 1 7 ? -16.150 -7.789 -2.872 1.00 56.97 7 A 1 ATOM 53 N NH1 . ARG A 1 7 ? -16.136 -7.083 -3.971 1.00 52.75 7 A 1 ATOM 54 N NH2 . ARG A 1 7 ? -16.986 -8.791 -2.808 1.00 52.14 7 A 1 ATOM 55 N N . GLY A 1 8 ? -11.932 -2.339 1.917 1.00 74.01 8 A 1 ATOM 56 C CA . GLY A 1 8 ? -11.157 -1.092 1.962 1.00 74.37 8 A 1 ATOM 57 C C . GLY A 1 8 ? -9.925 -1.141 2.870 1.00 77.52 8 A 1 ATOM 58 O O . GLY A 1 8 ? -8.975 -0.401 2.641 1.00 74.75 8 A 1 ATOM 59 N N . ILE A 1 9 ? -9.902 -2.021 3.893 1.00 80.39 9 A 1 ATOM 60 C CA . ILE A 1 9 ? -8.803 -2.076 4.874 1.00 80.57 9 A 1 ATOM 61 C C . ILE A 1 9 ? -7.581 -2.800 4.295 1.00 82.81 9 A 1 ATOM 62 O O . ILE A 1 9 ? -6.452 -2.346 4.475 1.00 79.96 9 A 1 ATOM 63 C CB . ILE A 1 9 ? -9.287 -2.714 6.193 1.00 78.02 9 A 1 ATOM 64 C CG1 . ILE A 1 9 ? -10.456 -1.895 6.790 1.00 70.68 9 A 1 ATOM 65 C CG2 . ILE A 1 9 ? -8.131 -2.826 7.199 1.00 69.74 9 A 1 ATOM 66 C CD1 . ILE A 1 9 ? -11.108 -2.535 8.022 1.00 63.99 9 A 1 ATOM 67 N N . ALA A 1 10 ? -7.799 -3.891 3.535 1.00 82.59 10 A 1 ATOM 68 C CA . ALA A 1 10 ? -6.718 -4.652 2.903 1.00 83.71 10 A 1 ATOM 69 C C . ALA A 1 10 ? -5.876 -3.811 1.916 1.00 85.80 10 A 1 ATOM 70 O O . ALA A 1 10 ? -4.654 -3.802 2.052 1.00 83.96 10 A 1 ATOM 71 C CB . ALA A 1 10 ? -7.306 -5.919 2.268 1.00 80.96 10 A 1 ATOM 72 N N . PRO A 1 11 ? -6.470 -3.050 0.965 1.00 82.23 11 A 1 ATOM 73 C CA . PRO A 1 11 ? -5.691 -2.189 0.078 1.00 83.12 11 A 1 ATOM 74 C C . PRO A 1 11 ? -5.008 -1.046 0.824 1.00 85.05 11 A 1 ATOM 75 O O . PRO A 1 11 ? -3.884 -0.704 0.471 1.00 81.88 11 A 1 ATOM 76 C CB . PRO A 1 11 ? -6.678 -1.688 -0.985 1.00 80.19 11 A 1 ATOM 77 C CG . PRO A 1 11 ? -8.043 -1.834 -0.332 1.00 76.09 11 A 1 ATOM 78 C CD . PRO A 1 11 ? -7.860 -3.038 0.584 1.00 79.23 11 A 1 ATOM 79 N N . ALA A 1 12 ? -5.609 -0.487 1.882 1.00 85.41 12 A 1 ATOM 80 C CA . ALA A 1 12 ? -4.964 0.542 2.695 1.00 85.42 12 A 1 ATOM 81 C C . ALA A 1 12 ? -3.722 0.003 3.429 1.00 86.49 12 A 1 ATOM 82 O O . ALA A 1 12 ? -2.687 0.669 3.453 1.00 83.74 12 A 1 ATOM 83 C CB . ALA A 1 12 ? -5.994 1.120 3.672 1.00 83.44 12 A 1 ATOM 84 N N . MET A 1 13 ? -3.796 -1.224 3.986 1.00 85.17 13 A 1 ATOM 85 C CA . MET A 1 13 ? -2.635 -1.888 4.592 1.00 84.65 13 A 1 ATOM 86 C C . MET A 1 13 ? -1.544 -2.194 3.562 1.00 85.95 13 A 1 ATOM 87 O O . MET A 1 13 ? -0.373 -1.962 3.844 1.00 82.98 13 A 1 ATOM 88 C CB . MET A 1 13 ? -3.052 -3.177 5.302 1.00 83.16 13 A 1 ATOM 89 C CG . MET A 1 13 ? -3.639 -2.891 6.686 1.00 77.17 13 A 1 ATOM 90 S SD . MET A 1 13 ? -3.875 -4.394 7.663 1.00 71.50 13 A 1 ATOM 91 C CE . MET A 1 13 ? -4.155 -3.671 9.287 1.00 63.76 13 A 1 ATOM 92 N N . LEU A 1 14 ? -1.906 -2.647 2.354 1.00 85.42 14 A 1 ATOM 93 C CA . LEU A 1 14 ? -0.957 -2.889 1.268 1.00 84.98 14 A 1 ATOM 94 C C . LEU A 1 14 ? -0.271 -1.600 0.815 1.00 86.50 14 A 1 ATOM 95 O O . LEU A 1 14 ? 0.945 -1.598 0.651 1.00 85.28 14 A 1 ATOM 96 C CB . LEU A 1 14 ? -1.676 -3.566 0.093 1.00 84.31 14 A 1 ATOM 97 C CG . LEU A 1 14 ? -2.005 -5.048 0.337 1.00 79.01 14 A 1 ATOM 98 C CD1 . LEU A 1 14 ? -2.956 -5.546 -0.749 1.00 74.73 14 A 1 ATOM 99 C CD2 . LEU A 1 14 ? -0.754 -5.920 0.321 1.00 74.10 14 A 1 ATOM 100 N N . CYS A 1 15 ? -1.003 -0.482 0.695 1.00 85.82 15 A 1 ATOM 101 C CA . CYS A 1 15 ? -0.415 0.822 0.396 1.00 85.29 15 A 1 ATOM 102 C C . CYS A 1 15 ? 0.559 1.275 1.493 1.00 86.50 15 A 1 ATOM 103 O O . CYS A 1 15 ? 1.649 1.734 1.181 1.00 83.08 15 A 1 ATOM 104 C CB . CYS A 1 15 ? -1.526 1.860 0.210 1.00 82.30 15 A 1 ATOM 105 S SG . CYS A 1 15 ? -2.381 1.617 -1.374 1.00 75.44 15 A 1 ATOM 106 N N . GLY A 1 16 ? 0.194 1.106 2.770 1.00 84.38 16 A 1 ATOM 107 C CA . GLY A 1 16 ? 1.082 1.414 3.894 1.00 84.28 16 A 1 ATOM 108 C C . GLY A 1 16 ? 2.353 0.563 3.896 1.00 85.16 16 A 1 ATOM 109 O O . GLY A 1 16 ? 3.445 1.090 4.104 1.00 83.92 16 A 1 ATOM 110 N N . LEU A 1 17 ? 2.226 -0.736 3.594 1.00 85.95 17 A 1 ATOM 111 C CA . LEU A 1 17 ? 3.360 -1.655 3.499 1.00 85.34 17 A 1 ATOM 112 C C . LEU A 1 17 ? 4.262 -1.322 2.303 1.00 86.36 17 A 1 ATOM 113 O O . LEU A 1 17 ? 5.481 -1.335 2.434 1.00 85.07 17 A 1 ATOM 114 C CB . LEU A 1 17 ? 2.814 -3.092 3.437 1.00 84.51 17 A 1 ATOM 115 C CG . LEU A 1 17 ? 3.829 -4.133 3.929 1.00 79.55 17 A 1 ATOM 116 C CD1 . LEU A 1 17 ? 3.270 -4.903 5.125 1.00 75.90 17 A 1 ATOM 117 C CD2 . LEU A 1 17 ? 4.168 -5.132 2.830 1.00 74.99 17 A 1 ATOM 118 N N . SER A 1 18 ? 3.688 -0.949 1.152 1.00 85.00 18 A 1 ATOM 119 C CA . SER A 1 18 ? 4.442 -0.493 -0.019 1.00 83.64 18 A 1 ATOM 120 C C . SER A 1 18 ? 5.213 0.799 0.253 1.00 83.43 18 A 1 ATOM 121 O O . SER A 1 18 ? 6.349 0.928 -0.188 1.00 82.06 18 A 1 ATOM 122 C CB . SER A 1 18 ? 3.507 -0.272 -1.207 1.00 82.16 18 A 1 ATOM 123 O OG . SER A 1 18 ? 2.907 -1.488 -1.604 1.00 73.77 18 A 1 ATOM 124 N N . LEU A 1 19 ? 4.633 1.734 1.009 1.00 84.99 19 A 1 ATOM 125 C CA . LEU A 1 19 ? 5.333 2.948 1.439 1.00 84.25 19 A 1 ATOM 126 C C . LEU A 1 19 ? 6.461 2.614 2.421 1.00 84.68 19 A 1 ATOM 127 O O . LEU A 1 19 ? 7.568 3.125 2.268 1.00 82.87 19 A 1 ATOM 128 C CB . LEU A 1 19 ? 4.333 3.932 2.066 1.00 82.91 19 A 1 ATOM 129 C CG . LEU A 1 19 ? 3.391 4.599 1.047 1.00 78.76 19 A 1 ATOM 130 C CD1 . LEU A 1 19 ? 2.281 5.347 1.785 1.00 75.52 19 A 1 ATOM 131 C CD2 . LEU A 1 19 ? 4.129 5.591 0.150 1.00 74.29 19 A 1 ATOM 132 N N . PHE A 1 20 ? 6.218 1.711 3.382 1.00 83.30 20 A 1 ATOM 133 C CA . PHE A 1 20 ? 7.232 1.272 4.346 1.00 82.25 20 A 1 ATOM 134 C C . PHE A 1 20 ? 8.407 0.549 3.672 1.00 82.74 20 A 1 ATOM 135 O O . PHE A 1 20 ? 9.559 0.777 4.041 1.00 81.40 20 A 1 ATOM 136 C CB . PHE A 1 20 ? 6.557 0.379 5.394 1.00 81.57 20 A 1 ATOM 137 C CG . PHE A 1 20 ? 7.482 -0.015 6.525 1.00 78.62 20 A 1 ATOM 138 C CD1 . PHE A 1 20 ? 8.156 -1.247 6.495 1.00 76.94 20 A 1 ATOM 139 C CD2 . PHE A 1 20 ? 7.694 0.869 7.591 1.00 76.80 20 A 1 ATOM 140 C CE1 . PHE A 1 20 ? 9.040 -1.593 7.531 1.00 75.17 20 A 1 ATOM 141 C CE2 . PHE A 1 20 ? 8.578 0.521 8.623 1.00 75.29 20 A 1 ATOM 142 C CZ . PHE A 1 20 ? 9.254 -0.705 8.595 1.00 76.17 20 A 1 ATOM 143 N N . LEU A 1 21 ? 8.138 -0.282 2.649 1.00 84.81 21 A 1 ATOM 144 C CA . LEU A 1 21 ? 9.179 -0.956 1.865 1.00 83.77 21 A 1 ATOM 145 C C . LEU A 1 21 ? 9.823 -0.028 0.824 1.00 83.42 21 A 1 ATOM 146 O O . LEU A 1 21 ? 10.994 -0.200 0.488 1.00 79.84 21 A 1 ATOM 147 C CB . LEU A 1 21 ? 8.560 -2.186 1.176 1.00 82.82 21 A 1 ATOM 148 C CG . LEU A 1 21 ? 8.164 -3.324 2.137 1.00 79.87 21 A 1 ATOM 149 C CD1 . LEU A 1 21 ? 7.405 -4.397 1.355 1.00 76.69 21 A 1 ATOM 150 C CD2 . LEU A 1 21 ? 9.384 -3.979 2.785 1.00 74.64 21 A 1 ATOM 151 N N . GLY A 1 22 ? 9.084 0.959 0.316 1.00 82.92 22 A 1 ATOM 152 C CA . GLY A 1 22 ? 9.585 1.945 -0.641 1.00 80.55 22 A 1 ATOM 153 C C . GLY A 1 22 ? 10.497 2.993 -0.004 1.00 81.04 22 A 1 ATOM 154 O O . GLY A 1 22 ? 11.442 3.446 -0.649 1.00 78.89 22 A 1 ATOM 155 N N . PHE A 1 23 ? 10.272 3.341 1.273 1.00 78.61 23 A 1 ATOM 156 C CA . PHE A 1 23 ? 11.110 4.287 2.017 1.00 78.59 23 A 1 ATOM 157 C C . PHE A 1 23 ? 12.595 3.892 2.057 1.00 79.58 23 A 1 ATOM 158 O O . PHE A 1 23 ? 13.422 4.725 1.678 1.00 78.04 23 A 1 ATOM 159 C CB . PHE A 1 23 ? 10.550 4.507 3.434 1.00 76.54 23 A 1 ATOM 160 C CG . PHE A 1 23 ? 10.065 5.920 3.666 1.00 72.71 23 A 1 ATOM 161 C CD1 . PHE A 1 23 ? 10.931 6.881 4.206 1.00 71.04 23 A 1 ATOM 162 C CD2 . PHE A 1 23 ? 8.754 6.278 3.332 1.00 69.97 23 A 1 ATOM 163 C CE1 . PHE A 1 23 ? 10.488 8.196 4.417 1.00 67.55 23 A 1 ATOM 164 C CE2 . PHE A 1 23 ? 8.304 7.593 3.536 1.00 66.98 23 A 1 ATOM 165 C CZ . PHE A 1 23 ? 9.171 8.555 4.081 1.00 67.69 23 A 1 ATOM 166 N N . PRO A 1 24 ? 12.976 2.653 2.455 1.00 82.70 24 A 1 ATOM 167 C CA . PRO A 1 24 ? 14.380 2.245 2.400 1.00 81.18 24 A 1 ATOM 168 C C . PRO A 1 24 ? 14.925 2.246 0.967 1.00 80.04 24 A 1 ATOM 169 O O . PRO A 1 24 ? 16.070 2.634 0.765 1.00 73.99 24 A 1 ATOM 170 C CB . PRO A 1 24 ? 14.433 0.855 3.057 1.00 78.76 24 A 1 ATOM 171 C CG . PRO A 1 24 ? 13.000 0.339 2.996 1.00 78.44 24 A 1 ATOM 172 C CD . PRO A 1 24 ? 12.165 1.619 3.053 1.00 82.26 24 A 1 ATOM 173 N N . GLY A 1 25 ? 14.116 1.891 -0.032 1.00 77.10 25 A 1 ATOM 174 C CA . GLY A 1 25 ? 14.515 1.975 -1.440 1.00 75.26 25 A 1 ATOM 175 C C . GLY A 1 25 ? 14.773 3.409 -1.914 1.00 75.10 25 A 1 ATOM 176 O O . GLY A 1 25 ? 15.683 3.631 -2.708 1.00 73.32 25 A 1 ATOM 177 N N . LEU A 1 26 ? 14.012 4.393 -1.393 1.00 76.53 26 A 1 ATOM 178 C CA . LEU A 1 26 ? 14.203 5.808 -1.716 1.00 77.12 26 A 1 ATOM 179 C C . LEU A 1 26 ? 15.467 6.393 -1.061 1.00 77.57 26 A 1 ATOM 180 O O . LEU A 1 26 ? 16.066 7.309 -1.610 1.00 74.62 26 A 1 ATOM 181 C CB . LEU A 1 26 ? 12.955 6.597 -1.283 1.00 74.15 26 A 1 ATOM 182 C CG . LEU A 1 26 ? 12.544 7.654 -2.313 1.00 69.41 26 A 1 ATOM 183 C CD1 . LEU A 1 26 ? 11.301 7.194 -3.083 1.00 66.41 26 A 1 ATOM 184 C CD2 . LEU A 1 26 ? 12.228 8.986 -1.641 1.00 63.95 26 A 1 ATOM 185 N N . VAL A 1 27 ? 15.871 5.871 0.109 1.00 76.72 27 A 1 ATOM 186 C CA . VAL A 1 27 ? 17.101 6.290 0.814 1.00 75.95 27 A 1 ATOM 187 C C . VAL A 1 27 ? 18.368 5.725 0.145 1.00 75.71 27 A 1 ATOM 188 O O . VAL A 1 27 ? 19.457 6.268 0.330 1.00 73.78 27 A 1 ATOM 189 C CB . VAL A 1 27 ? 17.018 5.892 2.302 1.00 72.83 27 A 1 ATOM 190 C CG1 . VAL A 1 27 ? 18.286 6.213 3.103 1.00 66.05 27 A 1 ATOM 191 C CG2 . VAL A 1 27 ? 15.869 6.627 3.001 1.00 68.88 27 A 1 ATOM 192 N N . TRP A 1 28 ? 18.219 4.651 -0.652 1.00 72.68 28 A 1 ATOM 193 C CA . TRP A 1 28 ? 19.330 4.021 -1.379 1.00 72.96 28 A 1 ATOM 194 C C . TRP A 1 28 ? 19.556 4.589 -2.791 1.00 73.59 28 A 1 ATOM 195 O O . TRP A 1 28 ? 20.462 4.126 -3.478 1.00 71.94 28 A 1 ATOM 196 C CB . TRP A 1 28 ? 19.121 2.500 -1.405 1.00 71.11 28 A 1 ATOM 197 C CG . TRP A 1 28 ? 19.660 1.784 -0.206 1.00 68.35 28 A 1 ATOM 198 C CD1 . TRP A 1 28 ? 19.046 1.654 0.986 1.00 64.28 28 A 1 ATOM 199 C CD2 . TRP A 1 28 ? 20.950 1.104 -0.073 1.00 68.12 28 A 1 ATOM 200 N NE1 . TRP A 1 28 ? 19.862 0.936 1.852 1.00 62.29 28 A 1 ATOM 201 C CE2 . TRP A 1 28 ? 21.035 0.574 1.243 1.00 65.32 28 A 1 ATOM 202 C CE3 . TRP A 1 28 ? 22.034 0.882 -0.950 1.00 62.76 28 A 1 ATOM 203 C CZ2 . TRP A 1 28 ? 22.169 -0.153 1.679 1.00 62.82 28 A 1 ATOM 204 C CZ3 . TRP A 1 28 ? 23.159 0.160 -0.511 1.00 60.91 28 A 1 ATOM 205 C CH2 . TRP A 1 28 ? 23.227 -0.350 0.787 1.00 61.91 28 A 1 ATOM 206 N N . VAL A 1 29 ? 18.749 5.577 -3.237 1.00 76.61 29 A 1 ATOM 207 C CA . VAL A 1 29 ? 18.927 6.276 -4.520 1.00 74.58 29 A 1 ATOM 208 C C . VAL A 1 29 ? 19.691 7.578 -4.310 1.00 70.49 29 A 1 ATOM 209 O O . VAL A 1 29 ? 19.367 8.306 -3.351 1.00 66.45 29 A 1 ATOM 210 C CB . VAL A 1 29 ? 17.581 6.502 -5.229 1.00 68.07 29 A 1 ATOM 211 C CG1 . VAL A 1 29 ? 17.742 7.261 -6.550 1.00 60.42 29 A 1 ATOM 212 C CG2 . VAL A 1 29 ? 16.915 5.156 -5.558 1.00 63.09 29 A 1 ATOM 213 O OXT . VAL A 1 29 ? 20.608 7.838 -5.126 1.00 63.22 29 A 1 #