# 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_spkb30765 # _entry.id spkb30765 # 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" "C2 H5 N O2" 75.067 GLY y GLYCINE C(C(=O)O)N ? "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 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" "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 GLY 2 1 n SER 3 1 n PRO 4 1 n GLY 5 1 n LEU 6 1 n ARG 7 1 n PRO 8 1 n THR 9 1 n LEU 10 1 n LEU 11 1 n LEU 12 1 n PRO 13 1 n GLN 14 1 n VAL 15 1 n LEU 16 1 n LEU 17 1 n LEU 18 1 n LEU 19 1 n LEU 20 1 n ALA 21 1 n LEU 22 1 n LEU 23 1 n HIS 24 1 n VAL 25 1 n PRO 26 1 n PRO 27 1 n SER 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 @ 2025-07-12 08:41:02)" _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 86.22 _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 70.48 1 1 A GLY 2 2 71.72 1 2 A SER 3 2 74.67 1 3 A PRO 4 2 75.64 1 4 A GLY 5 2 71.13 1 5 A LEU 6 2 74.31 1 6 A ARG 7 2 75.80 1 7 A PRO 8 2 84.93 1 8 A THR 9 2 84.88 1 9 A LEU 10 2 86.97 1 10 A LEU 11 2 88.90 1 11 A LEU 12 2 89.50 1 12 A PRO 13 2 92.04 1 13 A GLN 14 2 88.66 1 14 A VAL 15 2 93.58 1 15 A LEU 16 2 92.22 1 16 A LEU 17 2 92.23 1 17 A LEU 18 2 92.39 1 18 A LEU 19 2 91.78 1 19 A LEU 20 2 92.40 1 20 A ALA 21 2 95.62 1 21 A LEU 22 2 93.73 1 22 A LEU 23 2 94.00 1 23 A HIS 24 2 88.81 1 24 A VAL 25 2 91.39 1 25 A PRO 26 2 90.02 1 26 A PRO 27 2 87.40 1 27 A SER 28 2 78.12 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 GLY . 2 A 2 A 3 1 n SER . 3 A 3 A 4 1 n PRO . 4 A 4 A 5 1 n GLY . 5 A 5 A 6 1 n LEU . 6 A 6 A 7 1 n ARG . 7 A 7 A 8 1 n PRO . 8 A 8 A 9 1 n THR . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n PRO . 13 A 13 A 14 1 n GLN . 14 A 14 A 15 1 n VAL . 15 A 15 A 16 1 n LEU . 16 A 16 A 17 1 n LEU . 17 A 17 A 18 1 n LEU . 18 A 18 A 19 1 n LEU . 19 A 19 A 20 1 n LEU . 20 A 20 A 21 1 n ALA . 21 A 21 A 22 1 n LEU . 22 A 22 A 23 1 n LEU . 23 A 23 A 24 1 n HIS . 24 A 24 A 25 1 n VAL . 25 A 25 A 26 1 n PRO . 26 A 26 A 27 1 n PRO . 27 A 27 A 28 1 n SER . 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 ? -21.140 1.828 -4.340 1.00 74.37 1 A 1 ATOM 2 C CA . MET A 1 1 ? -20.637 3.149 -3.916 1.00 76.81 1 A 1 ATOM 3 C C . MET A 1 1 ? -20.416 3.100 -2.411 1.00 78.30 1 A 1 ATOM 4 O O . MET A 1 1 ? -21.379 3.124 -1.666 1.00 71.92 1 A 1 ATOM 5 C CB . MET A 1 1 ? -21.656 4.233 -4.274 1.00 72.20 1 A 1 ATOM 6 C CG . MET A 1 1 ? -21.710 4.470 -5.783 1.00 68.62 1 A 1 ATOM 7 S SD . MET A 1 1 ? -23.199 5.359 -6.275 1.00 65.06 1 A 1 ATOM 8 C CE . MET A 1 1 ? -22.798 5.718 -7.981 1.00 56.53 1 A 1 ATOM 9 N N . GLY A 1 2 ? -19.193 2.942 -1.985 1.00 72.16 2 A 1 ATOM 10 C CA . GLY A 1 2 ? -18.832 2.891 -0.568 1.00 72.38 2 A 1 ATOM 11 C C . GLY A 1 2 ? -17.821 3.975 -0.240 1.00 73.74 2 A 1 ATOM 12 O O . GLY A 1 2 ? -17.104 4.436 -1.129 1.00 68.60 2 A 1 ATOM 13 N N . SER A 1 3 ? -17.756 4.389 1.013 1.00 76.36 3 A 1 ATOM 14 C CA . SER A 1 3 ? -16.790 5.391 1.464 1.00 78.54 3 A 1 ATOM 15 C C . SER A 1 3 ? -15.358 4.876 1.302 1.00 79.09 3 A 1 ATOM 16 O O . SER A 1 3 ? -15.100 3.694 1.550 1.00 74.49 3 A 1 ATOM 17 C CB . SER A 1 3 ? -17.054 5.761 2.919 1.00 73.87 3 A 1 ATOM 18 O OG . SER A 1 3 ? -18.350 6.306 3.050 1.00 65.70 3 A 1 ATOM 19 N N . PRO A 1 4 ? -14.419 5.731 0.902 1.00 77.53 4 A 1 ATOM 20 C CA . PRO A 1 4 ? -13.011 5.357 0.836 1.00 78.67 4 A 1 ATOM 21 C C . PRO A 1 4 ? -12.493 5.053 2.245 1.00 80.09 4 A 1 ATOM 22 O O . PRO A 1 4 ? -12.678 5.839 3.168 1.00 72.45 4 A 1 ATOM 23 C CB . PRO A 1 4 ? -12.323 6.570 0.197 1.00 73.91 4 A 1 ATOM 24 C CG . PRO A 1 4 ? -13.227 7.739 0.525 1.00 71.96 4 A 1 ATOM 25 C CD . PRO A 1 4 ? -14.620 7.131 0.572 1.00 74.85 4 A 1 ATOM 26 N N . GLY A 1 5 ? -11.859 3.908 2.409 1.00 70.71 5 A 1 ATOM 27 C CA . GLY A 1 5 ? -11.334 3.475 3.706 1.00 71.03 5 A 1 ATOM 28 C C . GLY A 1 5 ? -12.147 2.378 4.385 1.00 73.55 5 A 1 ATOM 29 O O . GLY A 1 5 ? -11.724 1.866 5.417 1.00 69.24 5 A 1 ATOM 30 N N . LEU A 1 6 ? -13.263 1.953 3.797 1.00 79.51 6 A 1 ATOM 31 C CA . LEU A 1 6 ? -14.095 0.869 4.337 1.00 78.82 6 A 1 ATOM 32 C C . LEU A 1 6 ? -13.653 -0.520 3.858 1.00 81.83 6 A 1 ATOM 33 O O . LEU A 1 6 ? -14.432 -1.470 3.894 1.00 77.48 6 A 1 ATOM 34 C CB . LEU A 1 6 ? -15.569 1.150 4.013 1.00 75.31 6 A 1 ATOM 35 C CG . LEU A 1 6 ? -16.241 2.062 5.038 1.00 71.50 6 A 1 ATOM 36 C CD1 . LEU A 1 6 ? -17.571 2.553 4.489 1.00 66.55 6 A 1 ATOM 37 C CD2 . LEU A 1 6 ? -16.510 1.313 6.342 1.00 63.45 6 A 1 ATOM 38 N N . ARG A 1 7 ? -12.419 -0.662 3.408 1.00 85.29 7 A 1 ATOM 39 C CA . ARG A 1 7 ? -11.893 -1.929 2.894 1.00 86.65 7 A 1 ATOM 40 C C . ARG A 1 7 ? -10.572 -2.298 3.576 1.00 87.95 7 A 1 ATOM 41 O O . ARG A 1 7 ? -9.537 -2.342 2.911 1.00 85.18 7 A 1 ATOM 42 C CB . ARG A 1 7 ? -11.764 -1.859 1.369 1.00 83.20 7 A 1 ATOM 43 C CG . ARG A 1 7 ? -13.128 -1.737 0.692 1.00 77.24 7 A 1 ATOM 44 C CD . ARG A 1 7 ? -12.951 -1.801 -0.819 1.00 74.82 7 A 1 ATOM 45 N NE . ARG A 1 7 ? -14.245 -1.657 -1.502 1.00 68.85 7 A 1 ATOM 46 C CZ . ARG A 1 7 ? -14.409 -1.224 -2.743 1.00 64.66 7 A 1 ATOM 47 N NH1 . ARG A 1 7 ? -13.393 -0.866 -3.487 1.00 60.31 7 A 1 ATOM 48 N NH2 . ARG A 1 7 ? -15.607 -1.142 -3.256 1.00 59.64 7 A 1 ATOM 49 N N . PRO A 1 8 ? -10.590 -2.599 4.876 1.00 87.24 8 A 1 ATOM 50 C CA . PRO A 1 8 ? -9.379 -3.001 5.597 1.00 87.91 8 A 1 ATOM 51 C C . PRO A 1 8 ? -8.760 -4.272 5.018 1.00 89.38 8 A 1 ATOM 52 O O . PRO A 1 8 ? -7.540 -4.419 5.018 1.00 84.86 8 A 1 ATOM 53 C CB . PRO A 1 8 ? -9.838 -3.192 7.046 1.00 83.55 8 A 1 ATOM 54 C CG . PRO A 1 8 ? -11.320 -3.471 6.937 1.00 79.23 8 A 1 ATOM 55 C CD . PRO A 1 8 ? -11.754 -2.657 5.731 1.00 82.34 8 A 1 ATOM 56 N N . THR A 1 9 ? -9.575 -5.144 4.449 1.00 89.01 9 A 1 ATOM 57 C CA . THR A 1 9 ? -9.123 -6.378 3.796 1.00 90.00 9 A 1 ATOM 58 C C . THR A 1 9 ? -8.205 -6.115 2.602 1.00 91.26 9 A 1 ATOM 59 O O . THR A 1 9 ? -7.343 -6.934 2.301 1.00 87.84 9 A 1 ATOM 60 C CB . THR A 1 9 ? -10.334 -7.179 3.312 1.00 86.85 9 A 1 ATOM 61 O OG1 . THR A 1 9 ? -11.373 -7.116 4.265 1.00 75.87 9 A 1 ATOM 62 C CG2 . THR A 1 9 ? -10.001 -8.643 3.087 1.00 73.30 9 A 1 ATOM 63 N N . LEU A 1 10 ? -8.370 -4.991 1.926 1.00 90.90 10 A 1 ATOM 64 C CA . LEU A 1 10 ? -7.549 -4.612 0.778 1.00 91.20 10 A 1 ATOM 65 C C . LEU A 1 10 ? -6.460 -3.607 1.162 1.00 92.72 10 A 1 ATOM 66 O O . LEU A 1 10 ? -5.416 -3.568 0.521 1.00 90.65 10 A 1 ATOM 67 C CB . LEU A 1 10 ? -8.444 -4.048 -0.329 1.00 89.83 10 A 1 ATOM 68 C CG . LEU A 1 10 ? -9.395 -5.081 -0.950 1.00 84.12 10 A 1 ATOM 69 C CD1 . LEU A 1 10 ? -10.339 -4.380 -1.920 1.00 79.08 10 A 1 ATOM 70 C CD2 . LEU A 1 10 ? -8.633 -6.161 -1.716 1.00 77.26 10 A 1 ATOM 71 N N . LEU A 1 11 ? -6.678 -2.824 2.198 1.00 92.52 11 A 1 ATOM 72 C CA . LEU A 1 11 ? -5.709 -1.826 2.648 1.00 92.85 11 A 1 ATOM 73 C C . LEU A 1 11 ? -4.439 -2.475 3.197 1.00 93.96 11 A 1 ATOM 74 O O . LEU A 1 11 ? -3.345 -2.018 2.886 1.00 92.88 11 A 1 ATOM 75 C CB . LEU A 1 11 ? -6.351 -0.927 3.710 1.00 91.71 11 A 1 ATOM 76 C CG . LEU A 1 11 ? -7.290 0.132 3.127 1.00 85.59 11 A 1 ATOM 77 C CD1 . LEU A 1 11 ? -8.095 0.778 4.248 1.00 81.29 11 A 1 ATOM 78 C CD2 . LEU A 1 11 ? -6.512 1.226 2.398 1.00 80.42 11 A 1 ATOM 79 N N . LEU A 1 12 ? -4.580 -3.545 3.957 1.00 93.49 12 A 1 ATOM 80 C CA . LEU A 1 12 ? -3.428 -4.239 4.532 1.00 93.59 12 A 1 ATOM 81 C C . LEU A 1 12 ? -2.467 -4.770 3.449 1.00 94.34 12 A 1 ATOM 82 O O . LEU A 1 12 ? -1.285 -4.416 3.479 1.00 94.08 12 A 1 ATOM 83 C CB . LEU A 1 12 ? -3.924 -5.337 5.483 1.00 92.50 12 A 1 ATOM 84 C CG . LEU A 1 12 ? -2.848 -5.797 6.470 1.00 85.07 12 A 1 ATOM 85 C CD1 . LEU A 1 12 ? -2.728 -4.811 7.630 1.00 82.20 12 A 1 ATOM 86 C CD2 . LEU A 1 12 ? -3.207 -7.170 7.020 1.00 80.77 12 A 1 ATOM 87 N N . PRO A 1 13 ? -2.924 -5.563 2.477 1.00 92.76 13 A 1 ATOM 88 C CA . PRO A 1 13 ? -2.047 -6.038 1.408 1.00 92.98 13 A 1 ATOM 89 C C . PRO A 1 13 ? -1.590 -4.912 0.486 1.00 94.09 13 A 1 ATOM 90 O O . PRO A 1 13 ? -0.483 -4.968 -0.037 1.00 92.41 13 A 1 ATOM 91 C CB . PRO A 1 13 ? -2.875 -7.086 0.657 1.00 91.23 13 A 1 ATOM 92 C CG . PRO A 1 13 ? -4.306 -6.700 0.935 1.00 89.18 13 A 1 ATOM 93 C CD . PRO A 1 13 ? -4.251 -6.124 2.342 1.00 91.65 13 A 1 ATOM 94 N N . GLN A 1 14 ? -2.389 -3.882 0.311 1.00 93.42 14 A 1 ATOM 95 C CA . GLN A 1 14 ? -2.028 -2.751 -0.539 1.00 93.53 14 A 1 ATOM 96 C C . GLN A 1 14 ? -0.872 -1.949 0.065 1.00 94.69 14 A 1 ATOM 97 O O . GLN A 1 14 ? 0.067 -1.596 -0.644 1.00 93.71 14 A 1 ATOM 98 C CB . GLN A 1 14 ? -3.269 -1.889 -0.761 1.00 92.53 14 A 1 ATOM 99 C CG . GLN A 1 14 ? -3.139 -1.018 -1.997 1.00 87.32 14 A 1 ATOM 100 C CD . GLN A 1 14 ? -4.499 -0.454 -2.396 1.00 85.01 14 A 1 ATOM 101 O OE1 . GLN A 1 14 ? -5.357 -1.135 -2.926 1.00 79.65 14 A 1 ATOM 102 N NE2 . GLN A 1 14 ? -4.741 0.806 -2.127 1.00 78.10 14 A 1 ATOM 103 N N . VAL A 1 15 ? -0.909 -1.709 1.367 1.00 94.38 15 A 1 ATOM 104 C CA . VAL A 1 15 ? 0.192 -1.049 2.081 1.00 94.40 15 A 1 ATOM 105 C C . VAL A 1 15 ? 1.445 -1.920 2.047 1.00 95.04 15 A 1 ATOM 106 O O . VAL A 1 15 ? 2.542 -1.410 1.823 1.00 94.15 15 A 1 ATOM 107 C CB . VAL A 1 15 ? -0.220 -0.719 3.524 1.00 93.95 15 A 1 ATOM 108 C CG1 . VAL A 1 15 ? 0.951 -0.208 4.360 1.00 91.67 15 A 1 ATOM 109 C CG2 . VAL A 1 15 ? -1.302 0.355 3.539 1.00 91.50 15 A 1 ATOM 110 N N . LEU A 1 16 ? 1.285 -3.212 2.210 1.00 95.18 16 A 1 ATOM 111 C CA . LEU A 1 16 ? 2.397 -4.153 2.131 1.00 95.02 16 A 1 ATOM 112 C C . LEU A 1 16 ? 3.055 -4.129 0.746 1.00 95.54 16 A 1 ATOM 113 O O . LEU A 1 16 ? 4.278 -4.069 0.649 1.00 95.48 16 A 1 ATOM 114 C CB . LEU A 1 16 ? 1.882 -5.556 2.471 1.00 94.70 16 A 1 ATOM 115 C CG . LEU A 1 16 ? 3.013 -6.516 2.845 1.00 88.38 16 A 1 ATOM 116 C CD1 . LEU A 1 16 ? 3.430 -6.319 4.303 1.00 86.25 16 A 1 ATOM 117 C CD2 . LEU A 1 16 ? 2.557 -7.958 2.656 1.00 87.20 16 A 1 ATOM 118 N N . LEU A 1 17 ? 2.259 -4.124 -0.305 1.00 95.43 17 A 1 ATOM 119 C CA . LEU A 1 17 ? 2.746 -4.034 -1.681 1.00 95.12 17 A 1 ATOM 120 C C . LEU A 1 17 ? 3.460 -2.710 -1.941 1.00 95.67 17 A 1 ATOM 121 O O . LEU A 1 17 ? 4.497 -2.696 -2.603 1.00 95.24 17 A 1 ATOM 122 C CB . LEU A 1 17 ? 1.563 -4.191 -2.644 1.00 94.37 17 A 1 ATOM 123 C CG . LEU A 1 17 ? 1.094 -5.641 -2.808 1.00 87.50 17 A 1 ATOM 124 C CD1 . LEU A 1 17 ? -0.263 -5.667 -3.498 1.00 87.00 17 A 1 ATOM 125 C CD2 . LEU A 1 17 ? 2.087 -6.443 -3.652 1.00 87.48 17 A 1 ATOM 126 N N . LEU A 1 18 ? 2.938 -1.622 -1.403 1.00 95.10 18 A 1 ATOM 127 C CA . LEU A 1 18 ? 3.565 -0.308 -1.523 1.00 94.95 18 A 1 ATOM 128 C C . LEU A 1 18 ? 4.933 -0.286 -0.839 1.00 95.65 18 A 1 ATOM 129 O O . LEU A 1 18 ? 5.907 0.212 -1.401 1.00 95.16 18 A 1 ATOM 130 C CB . LEU A 1 18 ? 2.634 0.744 -0.908 1.00 94.48 18 A 1 ATOM 131 C CG . LEU A 1 18 ? 2.894 2.144 -1.469 1.00 89.07 18 A 1 ATOM 132 C CD1 . LEU A 1 18 ? 2.093 2.368 -2.748 1.00 87.10 18 A 1 ATOM 133 C CD2 . LEU A 1 18 ? 2.507 3.207 -0.448 1.00 87.57 18 A 1 ATOM 134 N N . LEU A 1 19 ? 5.009 -0.852 0.350 1.00 95.07 19 A 1 ATOM 135 C CA . LEU A 1 19 ? 6.260 -0.955 1.098 1.00 94.81 19 A 1 ATOM 136 C C . LEU A 1 19 ? 7.273 -1.832 0.358 1.00 95.43 19 A 1 ATOM 137 O O . LEU A 1 19 ? 8.451 -1.492 0.274 1.00 95.04 19 A 1 ATOM 138 C CB . LEU A 1 19 ? 5.941 -1.516 2.490 1.00 94.36 19 A 1 ATOM 139 C CG . LEU A 1 19 ? 7.058 -1.267 3.511 1.00 87.29 19 A 1 ATOM 140 C CD1 . LEU A 1 19 ? 7.107 0.208 3.921 1.00 85.57 19 A 1 ATOM 141 C CD2 . LEU A 1 19 ? 6.824 -2.112 4.755 1.00 86.65 19 A 1 ATOM 142 N N . LEU A 1 20 ? 6.810 -2.924 -0.207 1.00 95.62 20 A 1 ATOM 143 C CA . LEU A 1 20 ? 7.641 -3.835 -0.989 1.00 95.19 20 A 1 ATOM 144 C C . LEU A 1 20 ? 8.167 -3.151 -2.253 1.00 95.78 20 A 1 ATOM 145 O O . LEU A 1 20 ? 9.336 -3.307 -2.600 1.00 95.26 20 A 1 ATOM 146 C CB . LEU A 1 20 ? 6.809 -5.085 -1.309 1.00 94.55 20 A 1 ATOM 147 C CG . LEU A 1 20 ? 7.622 -6.382 -1.227 1.00 89.01 20 A 1 ATOM 148 C CD1 . LEU A 1 20 ? 6.775 -7.492 -0.615 1.00 86.92 20 A 1 ATOM 149 C CD2 . LEU A 1 20 ? 8.101 -6.825 -2.598 1.00 86.83 20 A 1 ATOM 150 N N . ALA A 1 21 ? 7.336 -2.351 -2.904 1.00 96.25 21 A 1 ATOM 151 C CA . ALA A 1 21 ? 7.749 -1.562 -4.062 1.00 95.86 21 A 1 ATOM 152 C C . ALA A 1 21 ? 8.827 -0.537 -3.693 1.00 96.26 21 A 1 ATOM 153 O O . ALA A 1 21 ? 9.799 -0.381 -4.427 1.00 94.58 21 A 1 ATOM 154 C CB . ALA A 1 21 ? 6.515 -0.884 -4.661 1.00 95.14 21 A 1 ATOM 155 N N . LEU A 1 22 ? 8.698 0.115 -2.545 1.00 95.92 22 A 1 ATOM 156 C CA . LEU A 1 22 ? 9.708 1.052 -2.045 1.00 95.74 22 A 1 ATOM 157 C C . LEU A 1 22 ? 11.033 0.347 -1.748 1.00 95.98 22 A 1 ATOM 158 O O . LEU A 1 22 ? 12.095 0.873 -2.076 1.00 94.37 22 A 1 ATOM 159 C CB . LEU A 1 22 ? 9.176 1.738 -0.778 1.00 95.24 22 A 1 ATOM 160 C CG . LEU A 1 22 ? 8.149 2.839 -1.066 1.00 93.17 22 A 1 ATOM 161 C CD1 . LEU A 1 22 ? 7.373 3.176 0.203 1.00 89.94 22 A 1 ATOM 162 C CD2 . LEU A 1 22 ? 8.833 4.109 -1.569 1.00 89.49 22 A 1 ATOM 163 N N . LEU A 1 23 ? 10.978 -0.841 -1.180 1.00 96.81 23 A 1 ATOM 164 C CA . LEU A 1 23 ? 12.174 -1.644 -0.909 1.00 96.54 23 A 1 ATOM 165 C C . LEU A 1 23 ? 12.802 -2.199 -2.192 1.00 96.72 23 A 1 ATOM 166 O O . LEU A 1 23 ? 14.009 -2.423 -2.240 1.00 95.14 23 A 1 ATOM 167 C CB . LEU A 1 23 ? 11.795 -2.790 0.034 1.00 96.01 23 A 1 ATOM 168 C CG . LEU A 1 23 ? 11.512 -2.344 1.473 1.00 93.81 23 A 1 ATOM 169 C CD1 . LEU A 1 23 ? 10.841 -3.476 2.241 1.00 88.74 23 A 1 ATOM 170 C CD2 . LEU A 1 23 ? 12.797 -1.957 2.201 1.00 88.27 23 A 1 ATOM 171 N N . HIS A 1 24 ? 12.001 -2.401 -3.211 1.00 96.12 24 A 1 ATOM 172 C CA . HIS A 1 24 ? 12.470 -2.901 -4.501 1.00 96.09 24 A 1 ATOM 173 C C . HIS A 1 24 ? 13.200 -1.830 -5.316 1.00 96.20 24 A 1 ATOM 174 O O . HIS A 1 24 ? 13.958 -2.157 -6.230 1.00 94.07 24 A 1 ATOM 175 C CB . HIS A 1 24 ? 11.265 -3.456 -5.273 1.00 94.78 24 A 1 ATOM 176 C CG . HIS A 1 24 ? 11.662 -4.310 -6.440 1.00 90.05 24 A 1 ATOM 177 N ND1 . HIS A 1 24 ? 11.197 -4.155 -7.722 1.00 77.86 24 A 1 ATOM 178 C CD2 . HIS A 1 24 ? 12.523 -5.361 -6.463 1.00 79.02 24 A 1 ATOM 179 C CE1 . HIS A 1 24 ? 11.755 -5.096 -8.489 1.00 81.21 24 A 1 ATOM 180 N NE2 . HIS A 1 24 ? 12.574 -5.851 -7.764 1.00 82.68 24 A 1 ATOM 181 N N . VAL A 1 25 ? 12.993 -0.567 -4.999 1.00 95.71 25 A 1 ATOM 182 C CA . VAL A 1 25 ? 13.689 0.544 -5.653 1.00 94.78 25 A 1 ATOM 183 C C . VAL A 1 25 ? 14.955 0.871 -4.861 1.00 94.53 25 A 1 ATOM 184 O O . VAL A 1 25 ? 14.860 1.385 -3.751 1.00 92.44 25 A 1 ATOM 185 C CB . VAL A 1 25 ? 12.768 1.765 -5.792 1.00 92.62 25 A 1 ATOM 186 C CG1 . VAL A 1 25 ? 13.499 2.920 -6.468 1.00 83.58 25 A 1 ATOM 187 C CG2 . VAL A 1 25 ? 11.549 1.421 -6.642 1.00 86.08 25 A 1 ATOM 188 N N . PRO A 1 26 ? 16.139 0.579 -5.404 1.00 94.14 26 A 1 ATOM 189 C CA . PRO A 1 26 ? 17.385 0.922 -4.734 1.00 92.81 26 A 1 ATOM 190 C C . PRO A 1 26 ? 17.566 2.443 -4.690 1.00 91.47 26 A 1 ATOM 191 O O . PRO A 1 26 ? 17.128 3.148 -5.604 1.00 86.13 26 A 1 ATOM 192 C CB . PRO A 1 26 ? 18.477 0.226 -5.548 1.00 89.89 26 A 1 ATOM 193 C CG . PRO A 1 26 ? 17.883 0.119 -6.937 1.00 85.90 26 A 1 ATOM 194 C CD . PRO A 1 26 ? 16.391 -0.040 -6.692 1.00 89.83 26 A 1 ATOM 195 N N . PRO A 1 27 ? 18.229 2.977 -3.659 1.00 92.35 27 A 1 ATOM 196 C CA . PRO A 1 27 ? 18.540 4.398 -3.593 1.00 90.48 27 A 1 ATOM 197 C C . PRO A 1 27 ? 19.507 4.782 -4.713 1.00 88.81 27 A 1 ATOM 198 O O . PRO A 1 27 ? 20.430 4.032 -5.033 1.00 82.05 27 A 1 ATOM 199 C CB . PRO A 1 27 ? 19.134 4.603 -2.197 1.00 86.94 27 A 1 ATOM 200 C CG . PRO A 1 27 ? 19.713 3.250 -1.837 1.00 83.43 27 A 1 ATOM 201 C CD . PRO A 1 27 ? 18.791 2.258 -2.528 1.00 87.77 27 A 1 ATOM 202 N N . SER A 1 28 ? 19.287 5.949 -5.294 1.00 88.31 28 A 1 ATOM 203 C CA . SER A 1 28 ? 20.170 6.507 -6.333 1.00 85.21 28 A 1 ATOM 204 C C . SER A 1 28 ? 21.417 7.121 -5.707 1.00 79.14 28 A 1 ATOM 205 O O . SER A 1 28 ? 22.514 6.886 -6.226 1.00 72.58 28 A 1 ATOM 206 C CB . SER A 1 28 ? 19.431 7.567 -7.145 1.00 78.83 28 A 1 ATOM 207 O OG . SER A 1 28 ? 18.276 7.019 -7.736 1.00 71.42 28 A 1 ATOM 208 O OXT . SER A 1 28 ? 21.252 7.851 -4.687 1.00 71.38 28 A 1 #