# 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_spkb43676 # _entry.id spkb43676 # 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" "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" "C3 H7 N O3" 105.093 SER y SERINE C([C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C9 H11 N O3" 181.189 TYR y TYROSINE c1cc(ccc1C[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 LYS 2 1 n LYS 3 1 n ILE 4 1 n VAL 5 1 n ALA 6 1 n ALA 7 1 n ILE 8 1 n VAL 9 1 n VAL 10 1 n ILE 11 1 n GLY 12 1 n LEU 13 1 n VAL 14 1 n PHE 15 1 n ILE 16 1 n ALA 17 1 n PHE 18 1 n PHE 19 1 n TYR 20 1 n LEU 21 1 n TYR 22 1 n SER 23 1 n ARG 24 1 n SER 25 1 n GLY 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 @ 2025-07-03 05:46:05)" _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 95.14 _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 91.56 1 1 A LYS 2 2 92.31 1 2 A LYS 3 2 92.64 1 3 A ILE 4 2 95.79 1 4 A VAL 5 2 97.78 1 5 A ALA 6 2 98.79 1 6 A ALA 7 2 98.87 1 7 A ILE 8 2 97.34 1 8 A VAL 9 2 98.54 1 9 A VAL 10 2 98.43 1 10 A ILE 11 2 97.90 1 11 A GLY 12 2 98.89 1 12 A LEU 13 2 97.53 1 13 A VAL 14 2 98.68 1 14 A PHE 15 2 96.74 1 15 A ILE 16 2 97.49 1 16 A ALA 17 2 98.73 1 17 A PHE 18 2 95.88 1 18 A PHE 19 2 94.96 1 19 A TYR 20 2 96.74 1 20 A LEU 21 2 95.65 1 21 A TYR 22 2 95.50 1 22 A SER 23 2 94.45 1 23 A ARG 24 2 86.10 1 24 A SER 25 2 89.95 1 25 A GLY 26 2 78.45 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 LYS . 2 A 2 A 3 1 n LYS . 3 A 3 A 4 1 n ILE . 4 A 4 A 5 1 n VAL . 5 A 5 A 6 1 n ALA . 6 A 6 A 7 1 n ALA . 7 A 7 A 8 1 n ILE . 8 A 8 A 9 1 n VAL . 9 A 9 A 10 1 n VAL . 10 A 10 A 11 1 n ILE . 11 A 11 A 12 1 n GLY . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n VAL . 14 A 14 A 15 1 n PHE . 15 A 15 A 16 1 n ILE . 16 A 16 A 17 1 n ALA . 17 A 17 A 18 1 n PHE . 18 A 18 A 19 1 n PHE . 19 A 19 A 20 1 n TYR . 20 A 20 A 21 1 n LEU . 21 A 21 A 22 1 n TYR . 22 A 22 A 23 1 n SER . 23 A 23 A 24 1 n ARG . 24 A 24 A 25 1 n SER . 25 A 25 A 26 1 n GLY . 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 ? -19.862 -6.412 4.996 1.00 97.62 1 A 1 ATOM 2 C CA . MET A 1 1 ? -19.207 -5.638 3.928 1.00 97.93 1 A 1 ATOM 3 C C . MET A 1 1 ? -18.240 -4.605 4.495 1.00 98.13 1 A 1 ATOM 4 O O . MET A 1 1 ? -17.228 -4.295 3.874 1.00 96.92 1 A 1 ATOM 5 C CB . MET A 1 1 ? -20.263 -4.940 3.069 1.00 95.86 1 A 1 ATOM 6 C CG . MET A 1 1 ? -21.293 -4.181 3.897 1.00 88.30 1 A 1 ATOM 7 S SD . MET A 1 1 ? -22.598 -3.519 2.874 1.00 84.12 1 A 1 ATOM 8 C CE . MET A 1 1 ? -23.727 -2.942 4.117 1.00 73.60 1 A 1 ATOM 9 N N . LYS A 1 2 ? -18.536 -4.099 5.676 1.00 98.37 2 A 1 ATOM 10 C CA . LYS A 1 2 ? -17.664 -3.110 6.313 1.00 98.39 2 A 1 ATOM 11 C C . LYS A 1 2 ? -16.298 -3.698 6.633 1.00 98.46 2 A 1 ATOM 12 O O . LYS A 1 2 ? -15.277 -3.023 6.523 1.00 97.90 2 A 1 ATOM 13 C CB . LYS A 1 2 ? -18.319 -2.587 7.590 1.00 97.78 2 A 1 ATOM 14 C CG . LYS A 1 2 ? -19.571 -1.778 7.307 1.00 92.27 2 A 1 ATOM 15 C CD . LYS A 1 2 ? -20.206 -1.308 8.594 1.00 90.04 2 A 1 ATOM 16 C CE . LYS A 1 2 ? -21.453 -0.496 8.309 1.00 81.92 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? -21.114 0.805 7.685 1.00 75.68 2 A 1 ATOM 18 N N . LYS A 1 3 ? -16.270 -4.963 7.015 1.00 98.56 3 A 1 ATOM 19 C CA . LYS A 1 3 ? -15.010 -5.628 7.352 1.00 98.60 3 A 1 ATOM 20 C C . LYS A 1 3 ? -14.125 -5.774 6.118 1.00 98.70 3 A 1 ATOM 21 O O . LYS A 1 3 ? -12.902 -5.678 6.207 1.00 98.32 3 A 1 ATOM 22 C CB . LYS A 1 3 ? -15.295 -7.001 7.957 1.00 98.21 3 A 1 ATOM 23 C CG . LYS A 1 3 ? -16.028 -6.893 9.284 1.00 94.25 3 A 1 ATOM 24 C CD . LYS A 1 3 ? -16.355 -8.258 9.845 1.00 89.65 3 A 1 ATOM 25 C CE . LYS A 1 3 ? -17.093 -8.135 11.164 1.00 82.73 3 A 1 ATOM 26 N NZ . LYS A 1 3 ? -17.496 -9.465 11.688 1.00 74.73 3 A 1 ATOM 27 N N . ILE A 1 4 ? -14.742 -6.001 4.965 1.00 98.40 4 A 1 ATOM 28 C CA . ILE A 1 4 ? -13.999 -6.146 3.717 1.00 98.41 4 A 1 ATOM 29 C C . ILE A 1 4 ? -13.329 -4.828 3.352 1.00 98.58 4 A 1 ATOM 30 O O . ILE A 1 4 ? -12.164 -4.789 2.955 1.00 98.51 4 A 1 ATOM 31 C CB . ILE A 1 4 ? -14.929 -6.589 2.580 1.00 98.25 4 A 1 ATOM 32 C CG1 . ILE A 1 4 ? -15.665 -7.878 2.957 1.00 94.95 4 A 1 ATOM 33 C CG2 . ILE A 1 4 ? -14.122 -6.788 1.298 1.00 93.93 4 A 1 ATOM 34 C CD1 . ILE A 1 4 ? -14.725 -9.029 3.273 1.00 85.28 4 A 1 ATOM 35 N N . VAL A 1 5 ? -14.068 -3.739 3.488 1.00 98.65 5 A 1 ATOM 36 C CA . VAL A 1 5 ? -13.542 -2.410 3.180 1.00 98.61 5 A 1 ATOM 37 C C . VAL A 1 5 ? -12.361 -2.086 4.088 1.00 98.68 5 A 1 ATOM 38 O O . VAL A 1 5 ? -11.350 -1.540 3.643 1.00 98.60 5 A 1 ATOM 39 C CB . VAL A 1 5 ? -14.628 -1.343 3.343 1.00 98.31 5 A 1 ATOM 40 C CG1 . VAL A 1 5 ? -14.058 0.042 3.080 1.00 95.71 5 A 1 ATOM 41 C CG2 . VAL A 1 5 ? -15.783 -1.627 2.401 1.00 95.93 5 A 1 ATOM 42 N N . ALA A 1 6 ? -12.485 -2.427 5.368 1.00 98.85 6 A 1 ATOM 43 C CA . ALA A 1 6 ? -11.421 -2.171 6.334 1.00 98.83 6 A 1 ATOM 44 C C . ALA A 1 6 ? -10.140 -2.897 5.933 1.00 98.85 6 A 1 ATOM 45 O O . ALA A 1 6 ? -9.046 -2.335 6.014 1.00 98.74 6 A 1 ATOM 46 C CB . ALA A 1 6 ? -11.865 -2.617 7.720 1.00 98.66 6 A 1 ATOM 47 N N . ALA A 1 7 ? -10.274 -4.140 5.486 1.00 98.90 7 A 1 ATOM 48 C CA . ALA A 1 7 ? -9.122 -4.930 5.064 1.00 98.90 7 A 1 ATOM 49 C C . ALA A 1 7 ? -8.430 -4.285 3.865 1.00 98.92 7 A 1 ATOM 50 O O . ALA A 1 7 ? -7.203 -4.197 3.814 1.00 98.85 7 A 1 ATOM 51 C CB . ALA A 1 7 ? -9.566 -6.345 4.718 1.00 98.78 7 A 1 ATOM 52 N N . ILE A 1 8 ? -9.219 -3.828 2.903 1.00 98.84 8 A 1 ATOM 53 C CA . ILE A 1 8 ? -8.675 -3.188 1.706 1.00 98.81 8 A 1 ATOM 54 C C . ILE A 1 8 ? -7.942 -1.902 2.077 1.00 98.83 8 A 1 ATOM 55 O O . ILE A 1 8 ? -6.866 -1.610 1.545 1.00 98.76 8 A 1 ATOM 56 C CB . ILE A 1 8 ? -9.800 -2.884 0.704 1.00 98.70 8 A 1 ATOM 57 C CG1 . ILE A 1 8 ? -10.445 -4.188 0.227 1.00 97.28 8 A 1 ATOM 58 C CG2 . ILE A 1 8 ? -9.254 -2.101 -0.489 1.00 96.85 8 A 1 ATOM 59 C CD1 . ILE A 1 8 ? -11.714 -3.967 -0.573 1.00 90.62 8 A 1 ATOM 60 N N . VAL A 1 9 ? -8.514 -1.136 2.981 1.00 98.91 9 A 1 ATOM 61 C CA . VAL A 1 9 ? -7.901 0.119 3.416 1.00 98.90 9 A 1 ATOM 62 C C . VAL A 1 9 ? -6.552 -0.145 4.078 1.00 98.91 9 A 1 ATOM 63 O O . VAL A 1 9 ? -5.566 0.540 3.797 1.00 98.85 9 A 1 ATOM 64 C CB . VAL A 1 9 ? -8.824 0.866 4.388 1.00 98.81 9 A 1 ATOM 65 C CG1 . VAL A 1 9 ? -8.116 2.080 4.985 1.00 97.71 9 A 1 ATOM 66 C CG2 . VAL A 1 9 ? -10.088 1.312 3.672 1.00 97.72 9 A 1 ATOM 67 N N . VAL A 1 10 ? -6.510 -1.137 4.955 1.00 98.95 10 A 1 ATOM 68 C CA . VAL A 1 10 ? -5.271 -1.479 5.654 1.00 98.94 10 A 1 ATOM 69 C C . VAL A 1 10 ? -4.205 -1.930 4.662 1.00 98.95 10 A 1 ATOM 70 O O . VAL A 1 10 ? -3.054 -1.487 4.722 1.00 98.87 10 A 1 ATOM 71 C CB . VAL A 1 10 ? -5.520 -2.583 6.692 1.00 98.85 10 A 1 ATOM 72 C CG1 . VAL A 1 10 ? -4.205 -3.046 7.310 1.00 97.13 10 A 1 ATOM 73 C CG2 . VAL A 1 10 ? -6.447 -2.077 7.783 1.00 97.30 10 A 1 ATOM 74 N N . ILE A 1 11 ? -4.581 -2.809 3.750 1.00 98.94 11 A 1 ATOM 75 C CA . ILE A 1 11 ? -3.645 -3.310 2.742 1.00 98.92 11 A 1 ATOM 76 C C . ILE A 1 11 ? -3.135 -2.162 1.878 1.00 98.91 11 A 1 ATOM 77 O O . ILE A 1 11 ? -1.941 -2.082 1.572 1.00 98.83 11 A 1 ATOM 78 C CB . ILE A 1 11 ? -4.326 -4.371 1.863 1.00 98.84 11 A 1 ATOM 79 C CG1 . ILE A 1 11 ? -4.680 -5.599 2.707 1.00 97.68 11 A 1 ATOM 80 C CG2 . ILE A 1 11 ? -3.405 -4.772 0.713 1.00 97.33 11 A 1 ATOM 81 C CD1 . ILE A 1 11 ? -5.601 -6.565 1.993 1.00 93.73 11 A 1 ATOM 82 N N . GLY A 1 12 ? -4.032 -1.283 1.486 1.00 98.93 12 A 1 ATOM 83 C CA . GLY A 1 12 ? -3.648 -0.138 0.667 1.00 98.90 12 A 1 ATOM 84 C C . GLY A 1 12 ? -2.666 0.763 1.394 1.00 98.92 12 A 1 ATOM 85 O O . GLY A 1 12 ? -1.676 1.216 0.818 1.00 98.83 12 A 1 ATOM 86 N N . LEU A 1 13 ? -2.932 1.013 2.664 1.00 98.94 13 A 1 ATOM 87 C CA . LEU A 1 13 ? -2.061 1.865 3.472 1.00 98.93 13 A 1 ATOM 88 C C . LEU A 1 13 ? -0.668 1.259 3.585 1.00 98.93 13 A 1 ATOM 89 O O . LEU A 1 13 ? 0.339 1.961 3.460 1.00 98.84 13 A 1 ATOM 90 C CB . LEU A 1 13 ? -2.671 2.041 4.864 1.00 98.85 13 A 1 ATOM 91 C CG . LEU A 1 13 ? -1.881 3.008 5.747 1.00 97.00 13 A 1 ATOM 92 C CD1 . LEU A 1 13 ? -1.957 4.421 5.190 1.00 94.09 13 A 1 ATOM 93 C CD2 . LEU A 1 13 ? -2.423 2.978 7.171 1.00 94.69 13 A 1 ATOM 94 N N . VAL A 1 14 ? -0.603 -0.036 3.828 1.00 98.94 14 A 1 ATOM 95 C CA . VAL A 1 14 ? 0.677 -0.733 3.946 1.00 98.93 14 A 1 ATOM 96 C C . VAL A 1 14 ? 1.446 -0.665 2.632 1.00 98.93 14 A 1 ATOM 97 O O . VAL A 1 14 ? 2.659 -0.436 2.620 1.00 98.83 14 A 1 ATOM 98 C CB . VAL A 1 14 ? 0.459 -2.201 4.347 1.00 98.86 14 A 1 ATOM 99 C CG1 . VAL A 1 14 ? 1.779 -2.964 4.333 1.00 98.18 14 A 1 ATOM 100 C CG2 . VAL A 1 14 ? -0.163 -2.282 5.730 1.00 98.06 14 A 1 ATOM 101 N N . PHE A 1 15 ? 0.744 -0.854 1.525 1.00 98.89 15 A 1 ATOM 102 C CA . PHE A 1 15 ? 1.375 -0.804 0.209 1.00 98.86 15 A 1 ATOM 103 C C . PHE A 1 15 ? 1.952 0.580 -0.069 1.00 98.86 15 A 1 ATOM 104 O O . PHE A 1 15 ? 3.065 0.708 -0.574 1.00 98.75 15 A 1 ATOM 105 C CB . PHE A 1 15 ? 0.354 -1.168 -0.867 1.00 98.75 15 A 1 ATOM 106 C CG . PHE A 1 15 ? 0.580 -2.551 -1.409 1.00 96.85 15 A 1 ATOM 107 C CD1 . PHE A 1 15 ? 1.580 -2.787 -2.338 1.00 94.72 15 A 1 ATOM 108 C CD2 . PHE A 1 15 ? -0.205 -3.613 -0.981 1.00 95.26 15 A 1 ATOM 109 C CE1 . PHE A 1 15 ? 1.796 -4.062 -2.835 1.00 93.91 15 A 1 ATOM 110 C CE2 . PHE A 1 15 ? 0.005 -4.892 -1.473 1.00 94.46 15 A 1 ATOM 111 C CZ . PHE A 1 15 ? 1.006 -5.118 -2.404 1.00 94.79 15 A 1 ATOM 112 N N . ILE A 1 16 ? 1.207 1.605 0.268 1.00 98.84 16 A 1 ATOM 113 C CA . ILE A 1 16 ? 1.668 2.977 0.055 1.00 98.80 16 A 1 ATOM 114 C C . ILE A 1 16 ? 2.910 3.253 0.895 1.00 98.80 16 A 1 ATOM 115 O O . ILE A 1 16 ? 3.878 3.853 0.422 1.00 98.69 16 A 1 ATOM 116 C CB . ILE A 1 16 ? 0.557 3.975 0.411 1.00 98.69 16 A 1 ATOM 117 C CG1 . ILE A 1 16 ? -0.639 3.805 -0.535 1.00 97.41 16 A 1 ATOM 118 C CG2 . ILE A 1 16 ? 1.086 5.405 0.338 1.00 96.53 16 A 1 ATOM 119 C CD1 . ILE A 1 16 ? -0.288 4.085 -1.989 1.00 92.14 16 A 1 ATOM 120 N N . ALA A 1 17 ? 2.880 2.833 2.152 1.00 98.82 17 A 1 ATOM 121 C CA . ALA A 1 17 ? 4.013 3.035 3.051 1.00 98.79 17 A 1 ATOM 122 C C . ALA A 1 17 ? 5.252 2.299 2.540 1.00 98.79 17 A 1 ATOM 123 O O . ALA A 1 17 ? 6.356 2.843 2.549 1.00 98.58 17 A 1 ATOM 124 C CB . ALA A 1 17 ? 3.656 2.551 4.451 1.00 98.68 17 A 1 ATOM 125 N N . PHE A 1 18 ? 5.058 1.066 2.089 1.00 98.70 18 A 1 ATOM 126 C CA . PHE A 1 18 ? 6.164 0.263 1.573 1.00 98.65 18 A 1 ATOM 127 C C . PHE A 1 18 ? 6.715 0.868 0.288 1.00 98.62 18 A 1 ATOM 128 O O . PHE A 1 18 ? 7.929 0.959 0.100 1.00 98.48 18 A 1 ATOM 129 C CB . PHE A 1 18 ? 5.682 -1.164 1.323 1.00 98.46 18 A 1 ATOM 130 C CG . PHE A 1 18 ? 6.782 -2.168 1.504 1.00 96.50 18 A 1 ATOM 131 C CD1 . PHE A 1 18 ? 7.204 -2.523 2.776 1.00 93.05 18 A 1 ATOM 132 C CD2 . PHE A 1 18 ? 7.389 -2.753 0.403 1.00 93.77 18 A 1 ATOM 133 C CE1 . PHE A 1 18 ? 8.222 -3.448 2.947 1.00 92.46 18 A 1 ATOM 134 C CE2 . PHE A 1 18 ? 8.410 -3.678 0.566 1.00 92.94 18 A 1 ATOM 135 C CZ . PHE A 1 18 ? 8.827 -4.028 1.839 1.00 93.05 18 A 1 ATOM 136 N N . PHE A 1 19 ? 5.827 1.283 -0.600 1.00 98.66 19 A 1 ATOM 137 C CA . PHE A 1 19 ? 6.228 1.893 -1.866 1.00 98.56 19 A 1 ATOM 138 C C . PHE A 1 19 ? 7.023 3.168 -1.610 1.00 98.53 19 A 1 ATOM 139 O O . PHE A 1 19 ? 8.039 3.423 -2.258 1.00 98.35 19 A 1 ATOM 140 C CB . PHE A 1 19 ? 4.990 2.207 -2.696 1.00 98.33 19 A 1 ATOM 141 C CG . PHE A 1 19 ? 5.338 2.677 -4.079 1.00 95.41 19 A 1 ATOM 142 C CD1 . PHE A 1 19 ? 5.526 4.024 -4.343 1.00 91.36 19 A 1 ATOM 143 C CD2 . PHE A 1 19 ? 5.489 1.758 -5.110 1.00 92.40 19 A 1 ATOM 144 C CE1 . PHE A 1 19 ? 5.865 4.455 -5.618 1.00 90.71 19 A 1 ATOM 145 C CE2 . PHE A 1 19 ? 5.825 2.185 -6.390 1.00 91.25 19 A 1 ATOM 146 C CZ . PHE A 1 19 ? 6.015 3.535 -6.640 1.00 91.01 19 A 1 ATOM 147 N N . TYR A 1 20 ? 6.556 3.957 -0.662 1.00 98.60 20 A 1 ATOM 148 C CA . TYR A 1 20 ? 7.239 5.200 -0.305 1.00 98.53 20 A 1 ATOM 149 C C . TYR A 1 20 ? 8.654 4.915 0.197 1.00 98.43 20 A 1 ATOM 150 O O . TYR A 1 20 ? 9.610 5.589 -0.187 1.00 98.31 20 A 1 ATOM 151 C CB . TYR A 1 20 ? 6.434 5.922 0.773 1.00 98.48 20 A 1 ATOM 152 C CG . TYR A 1 20 ? 7.262 6.920 1.544 1.00 97.77 20 A 1 ATOM 153 C CD1 . TYR A 1 20 ? 7.630 8.135 0.973 1.00 94.55 20 A 1 ATOM 154 C CD2 . TYR A 1 20 ? 7.682 6.633 2.837 1.00 95.65 20 A 1 ATOM 155 C CE1 . TYR A 1 20 ? 8.399 9.044 1.683 1.00 94.86 20 A 1 ATOM 156 C CE2 . TYR A 1 20 ? 8.453 7.543 3.553 1.00 95.35 20 A 1 ATOM 157 C CZ . TYR A 1 20 ? 8.808 8.743 2.969 1.00 95.94 20 A 1 ATOM 158 O OH . TYR A 1 20 ? 9.578 9.636 3.673 1.00 94.36 20 A 1 ATOM 159 N N . LEU A 1 21 ? 8.783 3.928 1.055 1.00 98.57 21 A 1 ATOM 160 C CA . LEU A 1 21 ? 10.086 3.567 1.607 1.00 98.48 21 A 1 ATOM 161 C C . LEU A 1 21 ? 11.012 3.021 0.523 1.00 98.48 21 A 1 ATOM 162 O O . LEU A 1 21 ? 12.192 3.370 0.473 1.00 98.17 21 A 1 ATOM 163 C CB . LEU A 1 21 ? 9.903 2.526 2.710 1.00 98.23 21 A 1 ATOM 164 C CG . LEU A 1 21 ? 11.188 2.228 3.473 1.00 94.18 21 A 1 ATOM 165 C CD1 . LEU A 1 21 ? 11.629 3.450 4.270 1.00 88.72 21 A 1 ATOM 166 C CD2 . LEU A 1 21 ? 10.977 1.046 4.411 1.00 90.33 21 A 1 ATOM 167 N N . TYR A 1 22 ? 10.473 2.172 -0.340 1.00 98.52 22 A 1 ATOM 168 C CA . TYR A 1 22 ? 11.266 1.580 -1.420 1.00 98.34 22 A 1 ATOM 169 C C . TYR A 1 22 ? 11.707 2.635 -2.426 1.00 98.05 22 A 1 ATOM 170 O O . TYR A 1 22 ? 12.850 2.639 -2.877 1.00 97.30 22 A 1 ATOM 171 C CB . TYR A 1 22 ? 10.447 0.496 -2.128 1.00 98.11 22 A 1 ATOM 172 C CG . TYR A 1 22 ? 10.958 -0.888 -1.815 1.00 96.57 22 A 1 ATOM 173 C CD1 . TYR A 1 22 ? 10.945 -1.376 -0.515 1.00 93.07 22 A 1 ATOM 174 C CD2 . TYR A 1 22 ? 11.467 -1.697 -2.826 1.00 93.53 22 A 1 ATOM 175 C CE1 . TYR A 1 22 ? 11.427 -2.643 -0.225 1.00 93.03 22 A 1 ATOM 176 C CE2 . TYR A 1 22 ? 11.948 -2.968 -2.548 1.00 94.10 22 A 1 ATOM 177 C CZ . TYR A 1 22 ? 11.925 -3.434 -1.246 1.00 93.80 22 A 1 ATOM 178 O OH . TYR A 1 22 ? 12.401 -4.691 -0.963 1.00 91.63 22 A 1 ATOM 179 N N . SER A 1 23 ? 10.810 3.539 -2.776 1.00 97.84 23 A 1 ATOM 180 C CA . SER A 1 23 ? 11.120 4.606 -3.726 1.00 97.41 23 A 1 ATOM 181 C C . SER A 1 23 ? 12.209 5.522 -3.179 1.00 96.82 23 A 1 ATOM 182 O O . SER A 1 23 ? 13.029 6.053 -3.928 1.00 94.50 23 A 1 ATOM 183 C CB . SER A 1 23 ? 9.867 5.418 -4.026 1.00 96.40 23 A 1 ATOM 184 O OG . SER A 1 23 ? 10.151 6.415 -4.983 1.00 83.71 23 A 1 ATOM 185 N N . ARG A 1 24 ? 12.199 5.690 -1.884 1.00 97.57 24 A 1 ATOM 186 C CA . ARG A 1 24 ? 13.186 6.543 -1.224 1.00 96.92 24 A 1 ATOM 187 C C . ARG A 1 24 ? 14.501 5.804 -0.977 1.00 95.52 24 A 1 ATOM 188 O O . ARG A 1 24 ? 15.514 6.423 -0.651 1.00 89.09 24 A 1 ATOM 189 C CB . ARG A 1 24 ? 12.600 7.043 0.103 1.00 95.62 24 A 1 ATOM 190 C CG . ARG A 1 24 ? 13.442 8.118 0.746 1.00 88.64 24 A 1 ATOM 191 C CD . ARG A 1 24 ? 12.768 8.649 1.995 1.00 85.85 24 A 1 ATOM 192 N NE . ARG A 1 24 ? 13.760 9.051 2.991 1.00 79.92 24 A 1 ATOM 193 C CZ . ARG A 1 24 ? 13.498 9.220 4.274 1.00 75.95 24 A 1 ATOM 194 N NH1 . ARG A 1 24 ? 12.270 9.087 4.736 1.00 71.69 24 A 1 ATOM 195 N NH2 . ARG A 1 24 ? 14.473 9.507 5.110 1.00 70.36 24 A 1 ATOM 196 N N . SER A 1 25 ? 14.490 4.502 -1.133 1.00 95.73 25 A 1 ATOM 197 C CA . SER A 1 25 ? 15.687 3.688 -0.927 1.00 94.96 25 A 1 ATOM 198 C C . SER A 1 25 ? 16.700 3.942 -2.044 1.00 93.12 25 A 1 ATOM 199 O O . SER A 1 25 ? 16.519 3.493 -3.173 1.00 84.97 25 A 1 ATOM 200 C CB . SER A 1 25 ? 15.319 2.209 -0.894 1.00 92.58 25 A 1 ATOM 201 O OG . SER A 1 25 ? 16.461 1.434 -0.589 1.00 78.35 25 A 1 ATOM 202 N N . GLY A 1 26 ? 17.756 4.668 -1.735 1.00 89.17 26 A 1 ATOM 203 C CA . GLY A 1 26 ? 18.777 4.981 -2.740 1.00 83.27 26 A 1 ATOM 204 C C . GLY A 1 26 ? 20.167 4.529 -2.295 1.00 76.82 26 A 1 ATOM 205 O O . GLY A 1 26 ? 21.116 5.309 -2.397 1.00 68.63 26 A 1 ATOM 206 O OXT . GLY A 1 26 ? 20.324 3.366 -1.855 1.00 74.36 26 A 1 #