# 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_spkb12364 # _entry.id spkb12364 # 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" "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" "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 VAL 2 1 n PRO 3 1 n PRO 4 1 n PRO 5 1 n LEU 6 1 n PRO 7 1 n SER 8 1 n ARG 9 1 n GLY 10 1 n GLY 11 1 n ALA 12 1 n ALA 13 1 n LYS 14 1 n ARG 15 1 n GLN 16 1 n LEU 17 1 n GLY 18 1 n LYS 19 1 n SER 20 1 n LEU 21 1 n GLY 22 1 n PRO 23 1 n LEU 24 1 n LEU 25 1 n LEU 26 1 n LEU 27 1 n LEU 28 1 n ALA 29 1 n LEU 30 1 n GLY 31 1 n HIS 32 1 n THR 33 1 n TRP 34 1 n THR 35 # _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 @ 2025-07-02 14:32:03)" _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 81.78 _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 82.11 1 1 A VAL 2 2 84.60 1 2 A PRO 3 2 84.32 1 3 A PRO 4 2 83.68 1 4 A PRO 5 2 79.48 1 5 A LEU 6 2 72.50 1 6 A PRO 7 2 74.03 1 7 A SER 8 2 75.07 1 8 A ARG 9 2 69.95 1 9 A GLY 10 2 80.93 1 10 A GLY 11 2 79.60 1 11 A ALA 12 2 84.10 1 12 A ALA 13 2 84.72 1 13 A LYS 14 2 74.17 1 14 A ARG 15 2 73.34 1 15 A GLN 16 2 74.07 1 16 A LEU 17 2 82.64 1 17 A GLY 18 2 86.41 1 18 A LYS 19 2 81.60 1 19 A SER 20 2 85.58 1 20 A LEU 21 2 86.66 1 21 A GLY 22 2 90.14 1 22 A PRO 23 2 90.24 1 23 A LEU 24 2 87.27 1 24 A LEU 25 2 88.78 1 25 A LEU 26 2 87.44 1 26 A LEU 27 2 87.45 1 27 A LEU 28 2 88.24 1 28 A ALA 29 2 92.70 1 29 A LEU 30 2 88.91 1 30 A GLY 31 2 92.98 1 31 A HIS 32 2 83.09 1 32 A THR 33 2 86.23 1 33 A TRP 34 2 73.93 1 34 A THR 35 2 77.58 1 35 # _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 VAL . 2 A 2 A 3 1 n PRO . 3 A 3 A 4 1 n PRO . 4 A 4 A 5 1 n PRO . 5 A 5 A 6 1 n LEU . 6 A 6 A 7 1 n PRO . 7 A 7 A 8 1 n SER . 8 A 8 A 9 1 n ARG . 9 A 9 A 10 1 n GLY . 10 A 10 A 11 1 n GLY . 11 A 11 A 12 1 n ALA . 12 A 12 A 13 1 n ALA . 13 A 13 A 14 1 n LYS . 14 A 14 A 15 1 n ARG . 15 A 15 A 16 1 n GLN . 16 A 16 A 17 1 n LEU . 17 A 17 A 18 1 n GLY . 18 A 18 A 19 1 n LYS . 19 A 19 A 20 1 n SER . 20 A 20 A 21 1 n LEU . 21 A 21 A 22 1 n GLY . 22 A 22 A 23 1 n PRO . 23 A 23 A 24 1 n LEU . 24 A 24 A 25 1 n LEU . 25 A 25 A 26 1 n LEU . 26 A 26 A 27 1 n LEU . 27 A 27 A 28 1 n LEU . 28 A 28 A 29 1 n ALA . 29 A 29 A 30 1 n LEU . 30 A 30 A 31 1 n GLY . 31 A 31 A 32 1 n HIS . 32 A 32 A 33 1 n THR . 33 A 33 A 34 1 n TRP . 34 A 34 A 35 1 n THR . 35 A 35 # _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 ? 1.944 4.821 38.183 1.00 88.10 1 A 1 ATOM 2 C CA . MET A 1 1 ? 1.231 5.174 36.938 1.00 90.29 1 A 1 ATOM 3 C C . MET A 1 1 ? 2.091 4.727 35.769 1.00 90.52 1 A 1 ATOM 4 O O . MET A 1 1 ? 3.199 5.225 35.627 1.00 85.70 1 A 1 ATOM 5 C CB . MET A 1 1 ? 0.966 6.686 36.862 1.00 85.75 1 A 1 ATOM 6 C CG . MET A 1 1 ? -0.172 7.108 37.804 1.00 78.53 1 A 1 ATOM 7 S SD . MET A 1 1 ? -0.386 8.903 37.875 1.00 72.57 1 A 1 ATOM 8 C CE . MET A 1 1 ? -1.882 9.035 38.879 1.00 65.46 1 A 1 ATOM 9 N N . VAL A 1 2 ? 1.649 3.736 35.001 1.00 87.76 2 A 1 ATOM 10 C CA . VAL A 1 2 ? 2.365 3.259 33.807 1.00 87.98 2 A 1 ATOM 11 C C . VAL A 1 2 ? 1.916 4.140 32.632 1.00 87.16 2 A 1 ATOM 12 O O . VAL A 1 2 ? 0.706 4.232 32.402 1.00 83.80 2 A 1 ATOM 13 C CB . VAL A 1 2 ? 2.073 1.771 33.543 1.00 85.66 2 A 1 ATOM 14 C CG1 . VAL A 1 2 ? 2.819 1.261 32.308 1.00 78.95 2 A 1 ATOM 15 C CG2 . VAL A 1 2 ? 2.493 0.904 34.739 1.00 80.86 2 A 1 ATOM 16 N N . PRO A 1 3 ? 2.835 4.830 31.920 1.00 86.75 3 A 1 ATOM 17 C CA . PRO A 1 3 ? 2.449 5.634 30.764 1.00 85.71 3 A 1 ATOM 18 C C . PRO A 1 3 ? 1.878 4.727 29.662 1.00 84.72 3 A 1 ATOM 19 O O . PRO A 1 3 ? 2.404 3.629 29.438 1.00 79.92 3 A 1 ATOM 20 C CB . PRO A 1 3 ? 3.721 6.379 30.334 1.00 83.37 3 A 1 ATOM 21 C CG . PRO A 1 3 ? 4.855 5.496 30.848 1.00 82.66 3 A 1 ATOM 22 C CD . PRO A 1 3 ? 4.276 4.845 32.104 1.00 87.08 3 A 1 ATOM 23 N N . PRO A 1 4 ? 0.807 5.146 28.964 1.00 87.09 4 A 1 ATOM 24 C CA . PRO A 1 4 ? 0.236 4.357 27.877 1.00 84.90 4 A 1 ATOM 25 C C . PRO A 1 4 ? 1.263 4.195 26.748 1.00 83.58 4 A 1 ATOM 26 O O . PRO A 1 4 ? 2.014 5.134 26.455 1.00 78.44 4 A 1 ATOM 27 C CB . PRO A 1 4 ? -1.025 5.115 27.432 1.00 82.58 4 A 1 ATOM 28 C CG . PRO A 1 4 ? -0.739 6.560 27.835 1.00 82.22 4 A 1 ATOM 29 C CD . PRO A 1 4 ? 0.116 6.423 29.090 1.00 86.93 4 A 1 ATOM 30 N N . PRO A 1 5 ? 1.317 3.022 26.090 1.00 83.26 5 A 1 ATOM 31 C CA . PRO A 1 5 ? 2.240 2.797 24.987 1.00 80.57 5 A 1 ATOM 32 C C . PRO A 1 5 ? 1.933 3.785 23.858 1.00 79.78 5 A 1 ATOM 33 O O . PRO A 1 5 ? 0.807 3.856 23.357 1.00 75.37 5 A 1 ATOM 34 C CB . PRO A 1 5 ? 2.060 1.328 24.582 1.00 77.92 5 A 1 ATOM 35 C CG . PRO A 1 5 ? 0.645 0.986 25.054 1.00 77.34 5 A 1 ATOM 36 C CD . PRO A 1 5 ? 0.458 1.859 26.291 1.00 82.11 5 A 1 ATOM 37 N N . LEU A 1 6 ? 2.947 4.556 23.451 1.00 79.90 6 A 1 ATOM 38 C CA . LEU A 1 6 ? 2.852 5.480 22.326 1.00 77.93 6 A 1 ATOM 39 C C . LEU A 1 6 ? 2.451 4.700 21.068 1.00 78.72 6 A 1 ATOM 40 O O . LEU A 1 6 ? 3.127 3.723 20.717 1.00 73.82 6 A 1 ATOM 41 C CB . LEU A 1 6 ? 4.206 6.189 22.130 1.00 73.64 6 A 1 ATOM 42 C CG . LEU A 1 6 ? 4.459 7.313 23.149 1.00 68.19 6 A 1 ATOM 43 C CD1 . LEU A 1 6 ? 5.961 7.572 23.285 1.00 63.65 6 A 1 ATOM 44 C CD2 . LEU A 1 6 ? 3.788 8.613 22.710 1.00 64.11 6 A 1 ATOM 45 N N . PRO A 1 7 ? 1.374 5.093 20.373 1.00 75.88 7 A 1 ATOM 46 C CA . PRO A 1 7 ? 1.008 4.460 19.117 1.00 75.47 7 A 1 ATOM 47 C C . PRO A 1 7 ? 2.162 4.645 18.131 1.00 77.00 7 A 1 ATOM 48 O O . PRO A 1 7 ? 2.544 5.767 17.789 1.00 71.91 7 A 1 ATOM 49 C CB . PRO A 1 7 ? -0.299 5.132 18.673 1.00 71.84 7 A 1 ATOM 50 C CG . PRO A 1 7 ? -0.273 6.492 19.360 1.00 70.68 7 A 1 ATOM 51 C CD . PRO A 1 7 ? 0.500 6.226 20.653 1.00 75.40 7 A 1 ATOM 52 N N . SER A 1 8 ? 2.736 3.542 17.683 1.00 78.13 8 A 1 ATOM 53 C CA . SER A 1 8 ? 3.816 3.536 16.700 1.00 78.37 8 A 1 ATOM 54 C C . SER A 1 8 ? 3.283 4.089 15.375 1.00 79.90 8 A 1 ATOM 55 O O . SER A 1 8 ? 2.705 3.368 14.563 1.00 75.70 8 A 1 ATOM 56 C CB . SER A 1 8 ? 4.422 2.129 16.575 1.00 73.67 8 A 1 ATOM 57 O OG . SER A 1 8 ? 3.428 1.126 16.512 1.00 64.66 8 A 1 ATOM 58 N N . ARG A 1 9 ? 3.482 5.399 15.148 1.00 79.72 9 A 1 ATOM 59 C CA . ARG A 1 9 ? 3.082 6.113 13.920 1.00 80.43 9 A 1 ATOM 60 C C . ARG A 1 9 ? 3.601 5.432 12.647 1.00 81.55 9 A 1 ATOM 61 O O . ARG A 1 9 ? 2.958 5.518 11.605 1.00 75.74 9 A 1 ATOM 62 C CB . ARG A 1 9 ? 3.570 7.578 13.982 1.00 77.14 9 A 1 ATOM 63 C CG . ARG A 1 9 ? 2.664 8.496 14.827 1.00 70.29 9 A 1 ATOM 64 C CD . ARG A 1 9 ? 3.192 9.938 14.797 1.00 69.04 9 A 1 ATOM 65 N NE . ARG A 1 9 ? 2.256 10.895 15.428 1.00 63.90 9 A 1 ATOM 66 C CZ . ARG A 1 9 ? 2.457 12.201 15.573 1.00 60.98 9 A 1 ATOM 67 N NH1 . ARG A 1 9 ? 3.562 12.783 15.182 1.00 56.78 9 A 1 ATOM 68 N NH2 . ARG A 1 9 ? 1.540 12.955 16.117 1.00 53.88 9 A 1 ATOM 69 N N . GLY A 1 10 ? 4.705 4.673 12.732 1.00 80.85 10 A 1 ATOM 70 C CA . GLY A 1 10 ? 5.266 3.931 11.598 1.00 81.05 10 A 1 ATOM 71 C C . GLY A 1 10 ? 4.455 2.707 11.149 1.00 83.48 10 A 1 ATOM 72 O O . GLY A 1 10 ? 4.526 2.325 9.980 1.00 78.34 10 A 1 ATOM 73 N N . GLY A 1 11 ? 3.656 2.089 12.035 1.00 78.76 11 A 1 ATOM 74 C CA . GLY A 1 11 ? 2.849 0.911 11.688 1.00 79.16 11 A 1 ATOM 75 C C . GLY A 1 11 ? 1.622 1.246 10.840 1.00 82.05 11 A 1 ATOM 76 O O . GLY A 1 11 ? 1.272 0.488 9.929 1.00 78.43 11 A 1 ATOM 77 N N . ALA A 1 12 ? 0.988 2.406 11.094 1.00 83.73 12 A 1 ATOM 78 C CA . ALA A 1 12 ? -0.180 2.861 10.338 1.00 85.53 12 A 1 ATOM 79 C C . ALA A 1 12 ? 0.188 3.260 8.897 1.00 86.84 12 A 1 ATOM 80 O O . ALA A 1 12 ? -0.505 2.866 7.958 1.00 82.73 12 A 1 ATOM 81 C CB . ALA A 1 12 ? -0.838 4.010 11.106 1.00 81.66 12 A 1 ATOM 82 N N . ALA A 1 13 ? 1.316 3.955 8.716 1.00 85.64 13 A 1 ATOM 83 C CA . ALA A 1 13 ? 1.806 4.351 7.394 1.00 85.66 13 A 1 ATOM 84 C C . ALA A 1 13 ? 2.157 3.138 6.518 1.00 86.77 13 A 1 ATOM 85 O O . ALA A 1 13 ? 1.749 3.072 5.359 1.00 82.79 13 A 1 ATOM 86 C CB . ALA A 1 13 ? 3.007 5.282 7.582 1.00 82.73 13 A 1 ATOM 87 N N . LYS A 1 14 ? 2.824 2.121 7.086 1.00 81.61 14 A 1 ATOM 88 C CA . LYS A 1 14 ? 3.124 0.869 6.367 1.00 81.99 14 A 1 ATOM 89 C C . LYS A 1 14 ? 1.858 0.097 5.981 1.00 83.66 14 A 1 ATOM 90 O O . LYS A 1 14 ? 1.787 -0.447 4.880 1.00 81.32 14 A 1 ATOM 91 C CB . LYS A 1 14 ? 4.061 -0.018 7.199 1.00 78.83 14 A 1 ATOM 92 C CG . LYS A 1 14 ? 5.507 0.505 7.188 1.00 71.08 14 A 1 ATOM 93 C CD . LYS A 1 14 ? 6.438 -0.459 7.935 1.00 69.51 14 A 1 ATOM 94 C CE . LYS A 1 14 ? 7.883 0.042 7.866 1.00 62.49 14 A 1 ATOM 95 N NZ . LYS A 1 14 ? 8.850 -0.930 8.457 1.00 57.05 14 A 1 ATOM 96 N N . ARG A 1 15 ? 0.836 0.069 6.854 1.00 85.78 15 A 1 ATOM 97 C CA . ARG A 1 15 ? -0.450 -0.580 6.551 1.00 85.94 15 A 1 ATOM 98 C C . ARG A 1 15 ? -1.252 0.175 5.491 1.00 88.09 15 A 1 ATOM 99 O O . ARG A 1 15 ? -1.904 -0.469 4.672 1.00 83.80 15 A 1 ATOM 100 C CB . ARG A 1 15 ? -1.285 -0.746 7.828 1.00 83.31 15 A 1 ATOM 101 C CG . ARG A 1 15 ? -0.782 -1.912 8.693 1.00 74.79 15 A 1 ATOM 102 C CD . ARG A 1 15 ? -1.669 -2.047 9.934 1.00 71.83 15 A 1 ATOM 103 N NE . ARG A 1 15 ? -1.238 -3.173 10.792 1.00 64.95 15 A 1 ATOM 104 C CZ . ARG A 1 15 ? -1.860 -3.602 11.881 1.00 59.86 15 A 1 ATOM 105 N NH1 . ARG A 1 15 ? -2.963 -3.053 12.315 1.00 56.52 15 A 1 ATOM 106 N NH2 . ARG A 1 15 ? -1.376 -4.608 12.570 1.00 51.87 15 A 1 ATOM 107 N N . GLN A 1 16 ? -1.216 1.516 5.485 1.00 83.07 16 A 1 ATOM 108 C CA . GLN A 1 16 ? -1.841 2.315 4.427 1.00 82.52 16 A 1 ATOM 109 C C . GLN A 1 16 ? -1.114 2.146 3.091 1.00 84.33 16 A 1 ATOM 110 O O . GLN A 1 16 ? -1.772 1.926 2.076 1.00 80.24 16 A 1 ATOM 111 C CB . GLN A 1 16 ? -1.894 3.792 4.823 1.00 79.55 16 A 1 ATOM 112 C CG . GLN A 1 16 ? -3.101 4.086 5.723 1.00 70.77 16 A 1 ATOM 113 C CD . GLN A 1 16 ? -3.256 5.577 6.004 1.00 66.01 16 A 1 ATOM 114 O OE1 . GLN A 1 16 ? -2.304 6.338 6.007 1.00 62.26 16 A 1 ATOM 115 N NE2 . GLN A 1 16 ? -4.453 6.056 6.250 1.00 57.90 16 A 1 ATOM 116 N N . LEU A 1 17 ? 0.218 2.145 3.095 1.00 89.38 17 A 1 ATOM 117 C CA . LEU A 1 17 ? 1.014 1.921 1.890 1.00 88.32 17 A 1 ATOM 118 C C . LEU A 1 17 ? 0.723 0.549 1.273 1.00 89.80 17 A 1 ATOM 119 O O . LEU A 1 17 ? 0.475 0.459 0.075 1.00 86.46 17 A 1 ATOM 120 C CB . LEU A 1 17 ? 2.500 2.085 2.239 1.00 86.78 17 A 1 ATOM 121 C CG . LEU A 1 17 ? 3.380 2.322 1.003 1.00 77.10 17 A 1 ATOM 122 C CD1 . LEU A 1 17 ? 3.289 3.773 0.537 1.00 71.11 17 A 1 ATOM 123 C CD2 . LEU A 1 17 ? 4.840 2.012 1.333 1.00 72.16 17 A 1 ATOM 124 N N . GLY A 1 18 ? 0.655 -0.510 2.093 1.00 87.09 18 A 1 ATOM 125 C CA . GLY A 1 18 ? 0.295 -1.855 1.627 1.00 86.52 18 A 1 ATOM 126 C C . GLY A 1 18 ? -1.125 -1.956 1.066 1.00 87.76 18 A 1 ATOM 127 O O . GLY A 1 18 ? -1.346 -2.652 0.072 1.00 84.26 18 A 1 ATOM 128 N N . LYS A 1 19 ? -2.090 -1.219 1.645 1.00 88.51 19 A 1 ATOM 129 C CA . LYS A 1 19 ? -3.466 -1.157 1.126 1.00 89.10 19 A 1 ATOM 130 C C . LYS A 1 19 ? -3.569 -0.413 -0.208 1.00 90.41 19 A 1 ATOM 131 O O . LYS A 1 19 ? -4.452 -0.736 -0.993 1.00 86.98 19 A 1 ATOM 132 C CB . LYS A 1 19 ? -4.396 -0.505 2.152 1.00 87.11 19 A 1 ATOM 133 C CG . LYS A 1 19 ? -4.783 -1.466 3.285 1.00 80.21 19 A 1 ATOM 134 C CD . LYS A 1 19 ? -5.718 -0.751 4.259 1.00 76.65 19 A 1 ATOM 135 C CE . LYS A 1 19 ? -6.194 -1.706 5.353 1.00 70.25 19 A 1 ATOM 136 N NZ . LYS A 1 19 ? -7.258 -1.081 6.186 1.00 65.17 19 A 1 ATOM 137 N N . SER A 1 20 ? -2.695 0.563 -0.466 1.00 88.46 20 A 1 ATOM 138 C CA . SER A 1 20 ? -2.680 1.327 -1.720 1.00 88.89 20 A 1 ATOM 139 C C . SER A 1 20 ? -1.843 0.647 -2.807 1.00 90.04 20 A 1 ATOM 140 O O . SER A 1 20 ? -2.184 0.733 -3.985 1.00 86.39 20 A 1 ATOM 141 C CB . SER A 1 20 ? -2.161 2.741 -1.458 1.00 85.76 20 A 1 ATOM 142 O OG . SER A 1 20 ? -2.958 3.376 -0.467 1.00 73.95 20 A 1 ATOM 143 N N . LEU A 1 21 ? -0.776 -0.069 -2.430 1.00 92.05 21 A 1 ATOM 144 C CA . LEU A 1 21 ? 0.084 -0.796 -3.370 1.00 92.29 21 A 1 ATOM 145 C C . LEU A 1 21 ? -0.602 -2.016 -3.984 1.00 93.44 21 A 1 ATOM 146 O O . LEU A 1 21 ? -0.390 -2.280 -5.164 1.00 91.18 21 A 1 ATOM 147 C CB . LEU A 1 21 ? 1.381 -1.211 -2.658 1.00 90.55 21 A 1 ATOM 148 C CG . LEU A 1 21 ? 2.475 -0.137 -2.749 1.00 82.85 21 A 1 ATOM 149 C CD1 . LEU A 1 21 ? 3.479 -0.302 -1.617 1.00 75.52 21 A 1 ATOM 150 C CD2 . LEU A 1 21 ? 3.229 -0.247 -4.071 1.00 75.36 21 A 1 ATOM 151 N N . GLY A 1 22 ? -1.446 -2.729 -3.222 1.00 90.50 22 A 1 ATOM 152 C CA . GLY A 1 22 ? -2.175 -3.894 -3.743 1.00 89.76 22 A 1 ATOM 153 C C . GLY A 1 22 ? -3.040 -3.560 -4.974 1.00 91.03 22 A 1 ATOM 154 O O . GLY A 1 22 ? -2.811 -4.138 -6.039 1.00 89.27 22 A 1 ATOM 155 N N . PRO A 1 23 ? -3.970 -2.589 -4.870 1.00 91.23 23 A 1 ATOM 156 C CA . PRO A 1 23 ? -4.773 -2.140 -6.008 1.00 91.30 23 A 1 ATOM 157 C C . PRO A 1 23 ? -3.939 -1.562 -7.154 1.00 92.21 23 A 1 ATOM 158 O O . PRO A 1 23 ? -4.253 -1.816 -8.314 1.00 89.80 23 A 1 ATOM 159 C CB . PRO A 1 23 ? -5.728 -1.080 -5.445 1.00 89.21 23 A 1 ATOM 160 C CG . PRO A 1 23 ? -5.828 -1.425 -3.968 1.00 87.66 23 A 1 ATOM 161 C CD . PRO A 1 23 ? -4.452 -1.991 -3.643 1.00 90.24 23 A 1 ATOM 162 N N . LEU A 1 24 ? -2.863 -0.814 -6.857 1.00 91.59 24 A 1 ATOM 163 C CA . LEU A 1 24 ? -1.978 -0.257 -7.883 1.00 91.73 24 A 1 ATOM 164 C C . LEU A 1 24 ? -1.231 -1.348 -8.652 1.00 92.80 24 A 1 ATOM 165 O O . LEU A 1 24 ? -1.146 -1.272 -9.876 1.00 91.70 24 A 1 ATOM 166 C CB . LEU A 1 24 ? -0.982 0.716 -7.239 1.00 90.99 24 A 1 ATOM 167 C CG . LEU A 1 24 ? -1.571 2.099 -6.938 1.00 83.31 24 A 1 ATOM 168 C CD1 . LEU A 1 24 ? -0.625 2.879 -6.034 1.00 78.21 24 A 1 ATOM 169 C CD2 . LEU A 1 24 ? -1.784 2.907 -8.218 1.00 77.83 24 A 1 ATOM 170 N N . LEU A 1 25 ? -0.727 -2.372 -7.959 1.00 92.92 25 A 1 ATOM 171 C CA . LEU A 1 25 ? -0.085 -3.523 -8.601 1.00 92.57 25 A 1 ATOM 172 C C . LEU A 1 25 ? -1.080 -4.329 -9.438 1.00 93.17 25 A 1 ATOM 173 O O . LEU A 1 25 ? -0.728 -4.780 -10.527 1.00 92.55 25 A 1 ATOM 174 C CB . LEU A 1 25 ? 0.554 -4.415 -7.526 1.00 92.06 25 A 1 ATOM 175 C CG . LEU A 1 25 ? 1.857 -3.846 -6.941 1.00 85.95 25 A 1 ATOM 176 C CD1 . LEU A 1 25 ? 2.245 -4.642 -5.698 1.00 80.72 25 A 1 ATOM 177 C CD2 . LEU A 1 25 ? 3.007 -3.924 -7.943 1.00 80.34 25 A 1 ATOM 178 N N . LEU A 1 26 ? -2.325 -4.463 -8.970 1.00 92.77 26 A 1 ATOM 179 C CA . LEU A 1 26 ? -3.387 -5.121 -9.730 1.00 92.00 26 A 1 ATOM 180 C C . LEU A 1 26 ? -3.729 -4.342 -11.009 1.00 92.50 26 A 1 ATOM 181 O O . LEU A 1 26 ? -3.817 -4.935 -12.082 1.00 91.81 26 A 1 ATOM 182 C CB . LEU A 1 26 ? -4.616 -5.285 -8.822 1.00 91.34 26 A 1 ATOM 183 C CG . LEU A 1 26 ? -5.718 -6.161 -9.440 1.00 82.14 26 A 1 ATOM 184 C CD1 . LEU A 1 26 ? -5.315 -7.637 -9.461 1.00 78.86 26 A 1 ATOM 185 C CD2 . LEU A 1 26 ? -7.002 -6.022 -8.624 1.00 78.13 26 A 1 ATOM 186 N N . LEU A 1 27 ? -3.861 -3.007 -10.912 1.00 92.13 27 A 1 ATOM 187 C CA . LEU A 1 27 ? -4.091 -2.135 -12.066 1.00 91.53 27 A 1 ATOM 188 C C . LEU A 1 27 ? -2.912 -2.159 -13.041 1.00 92.11 27 A 1 ATOM 189 O O . LEU A 1 27 ? -3.130 -2.191 -14.253 1.00 91.53 27 A 1 ATOM 190 C CB . LEU A 1 27 ? -4.340 -0.699 -11.582 1.00 90.57 27 A 1 ATOM 191 C CG . LEU A 1 27 ? -5.743 -0.471 -10.991 1.00 83.50 27 A 1 ATOM 192 C CD1 . LEU A 1 27 ? -5.782 0.872 -10.264 1.00 79.68 27 A 1 ATOM 193 C CD2 . LEU A 1 27 ? -6.817 -0.460 -12.078 1.00 78.57 27 A 1 ATOM 194 N N . LEU A 1 28 ? -1.680 -2.183 -12.529 1.00 93.04 28 A 1 ATOM 195 C CA . LEU A 1 28 ? -0.482 -2.291 -13.356 1.00 92.48 28 A 1 ATOM 196 C C . LEU A 1 28 ? -0.430 -3.639 -14.083 1.00 93.20 28 A 1 ATOM 197 O O . LEU A 1 28 ? -0.166 -3.667 -15.281 1.00 92.37 28 A 1 ATOM 198 C CB . LEU A 1 28 ? 0.751 -2.074 -12.468 1.00 91.56 28 A 1 ATOM 199 C CG . LEU A 1 28 ? 2.065 -1.968 -13.255 1.00 84.71 28 A 1 ATOM 200 C CD1 . LEU A 1 28 ? 2.149 -0.655 -14.040 1.00 79.57 28 A 1 ATOM 201 C CD2 . LEU A 1 28 ? 3.245 -2.025 -12.285 1.00 79.01 28 A 1 ATOM 202 N N . ALA A 1 29 ? -0.730 -4.741 -13.388 1.00 93.66 29 A 1 ATOM 203 C CA . ALA A 1 29 ? -0.783 -6.073 -13.992 1.00 92.98 29 A 1 ATOM 204 C C . ALA A 1 29 ? -1.880 -6.170 -15.064 1.00 93.20 29 A 1 ATOM 205 O O . ALA A 1 29 ? -1.623 -6.669 -16.158 1.00 91.42 29 A 1 ATOM 206 C CB . ALA A 1 29 ? -0.991 -7.106 -12.878 1.00 92.24 29 A 1 ATOM 207 N N . LEU A 1 30 ? -3.077 -5.624 -14.785 1.00 93.69 30 A 1 ATOM 208 C CA . LEU A 1 30 ? -4.164 -5.531 -15.765 1.00 93.13 30 A 1 ATOM 209 C C . LEU A 1 30 ? -3.762 -4.666 -16.959 1.00 93.39 30 A 1 ATOM 210 O O . LEU A 1 30 ? -3.931 -5.095 -18.098 1.00 91.31 30 A 1 ATOM 211 C CB . LEU A 1 30 ? -5.421 -4.976 -15.072 1.00 91.89 30 A 1 ATOM 212 C CG . LEU A 1 30 ? -6.227 -6.078 -14.359 1.00 87.54 30 A 1 ATOM 213 C CD1 . LEU A 1 30 ? -7.025 -5.505 -13.190 1.00 80.73 30 A 1 ATOM 214 C CD2 . LEU A 1 30 ? -7.211 -6.737 -15.322 1.00 79.60 30 A 1 ATOM 215 N N . GLY A 1 31 ? -3.167 -3.483 -16.720 1.00 93.96 31 A 1 ATOM 216 C CA . GLY A 1 31 ? -2.678 -2.610 -17.790 1.00 93.23 31 A 1 ATOM 217 C C . GLY A 1 31 ? -1.602 -3.267 -18.654 1.00 93.39 31 A 1 ATOM 218 O O . GLY A 1 31 ? -1.612 -3.094 -19.870 1.00 91.35 31 A 1 ATOM 219 N N . HIS A 1 32 ? -0.720 -4.079 -18.054 1.00 93.29 32 A 1 ATOM 220 C CA . HIS A 1 32 ? 0.332 -4.798 -18.781 1.00 92.08 32 A 1 ATOM 221 C C . HIS A 1 32 ? -0.211 -5.926 -19.665 1.00 91.86 32 A 1 ATOM 222 O O . HIS A 1 32 ? 0.425 -6.289 -20.646 1.00 88.54 32 A 1 ATOM 223 C CB . HIS A 1 32 ? 1.360 -5.340 -17.783 1.00 89.77 32 A 1 ATOM 224 C CG . HIS A 1 32 ? 2.774 -5.159 -18.244 1.00 83.72 32 A 1 ATOM 225 N ND1 . HIS A 1 32 ? 3.464 -3.961 -18.213 1.00 71.78 32 A 1 ATOM 226 C CD2 . HIS A 1 32 ? 3.626 -6.095 -18.750 1.00 72.76 32 A 1 ATOM 227 C CE1 . HIS A 1 32 ? 4.699 -4.185 -18.694 1.00 73.66 32 A 1 ATOM 228 N NE2 . HIS A 1 32 ? 4.839 -5.472 -19.031 1.00 73.44 32 A 1 ATOM 229 N N . THR A 1 33 ? -1.393 -6.473 -19.348 1.00 92.08 33 A 1 ATOM 230 C CA . THR A 1 33 ? -2.038 -7.487 -20.209 1.00 90.76 33 A 1 ATOM 231 C C . THR A 1 33 ? -2.776 -6.895 -21.415 1.00 89.45 33 A 1 ATOM 232 O O . THR A 1 33 ? -3.194 -7.649 -22.296 1.00 84.44 33 A 1 ATOM 233 C CB . THR A 1 33 ? -2.992 -8.391 -19.413 1.00 88.15 33 A 1 ATOM 234 O OG1 . THR A 1 33 ? -3.923 -7.681 -18.648 1.00 81.33 33 A 1 ATOM 235 C CG2 . THR A 1 33 ? -2.225 -9.296 -18.448 1.00 77.40 33 A 1 ATOM 236 N N . TRP A 1 34 ? -2.952 -5.565 -21.446 1.00 89.00 34 A 1 ATOM 237 C CA . TRP A 1 34 ? -3.628 -4.853 -22.538 1.00 86.50 34 A 1 ATOM 238 C C . TRP A 1 34 ? -2.661 -4.181 -23.528 1.00 86.06 34 A 1 ATOM 239 O O . TRP A 1 34 ? -3.119 -3.595 -24.509 1.00 80.26 34 A 1 ATOM 240 C CB . TRP A 1 34 ? -4.626 -3.851 -21.946 1.00 82.86 34 A 1 ATOM 241 C CG . TRP A 1 34 ? -5.924 -4.449 -21.488 1.00 76.35 34 A 1 ATOM 242 C CD1 . TRP A 1 34 ? -6.155 -5.013 -20.285 1.00 68.97 34 A 1 ATOM 243 C CD2 . TRP A 1 34 ? -7.193 -4.552 -22.226 1.00 72.82 34 A 1 ATOM 244 N NE1 . TRP A 1 34 ? -7.460 -5.460 -20.223 1.00 65.82 34 A 1 ATOM 245 C CE2 . TRP A 1 34 ? -8.143 -5.198 -21.384 1.00 69.49 34 A 1 ATOM 246 C CE3 . TRP A 1 34 ? -7.613 -4.149 -23.510 1.00 62.99 34 A 1 ATOM 247 C CZ2 . TRP A 1 34 ? -9.468 -5.439 -21.803 1.00 65.98 34 A 1 ATOM 248 C CZ3 . TRP A 1 34 ? -8.940 -4.389 -23.932 1.00 63.59 34 A 1 ATOM 249 C CH2 . TRP A 1 34 ? -9.863 -5.029 -23.083 1.00 64.28 34 A 1 ATOM 250 N N . THR A 1 35 ? -1.343 -4.245 -23.274 1.00 87.10 35 A 1 ATOM 251 C CA . THR A 1 35 ? -0.280 -3.728 -24.170 1.00 85.44 35 A 1 ATOM 252 C C . THR A 1 35 ? 0.523 -4.870 -24.774 1.00 80.81 35 A 1 ATOM 253 O O . THR A 1 35 ? 0.751 -4.815 -26.001 1.00 74.54 35 A 1 ATOM 254 C CB . THR A 1 35 ? 0.679 -2.792 -23.428 1.00 79.11 35 A 1 ATOM 255 O OG1 . THR A 1 35 ? 1.058 -3.367 -22.185 1.00 71.03 35 A 1 ATOM 256 C CG2 . THR A 1 35 ? 0.047 -1.435 -23.133 1.00 71.40 35 A 1 ATOM 257 O OXT . THR A 1 35 ? 0.903 -5.765 -23.984 1.00 71.23 35 A 1 #