# 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_spkb32303 # _entry.id spkb32303 # 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" "C4 H7 N O4" 133.103 ASP y "ASPARTIC ACID" C([C@@H](C(=O)O)N)C(=O)O ? "L-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 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" "C4 H9 N O3" 119.119 THR y THREONINE C[C@H]([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 ASP 2 1 n TYR 3 1 n TYR 4 1 n ARG 5 1 n LYS 6 1 n TYR 7 1 n ALA 8 1 n ALA 9 1 n VAL 10 1 n ILE 11 1 n LEU 12 1 n THR 13 1 n THR 14 1 n LEU 15 1 n SER 16 1 n VAL 17 1 n PHE 18 1 n LEU 19 1 n HIS 20 1 n ILE 21 1 n LEU 22 1 n HIS 23 1 n SER 24 # _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 02:52:33)" _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 94.29 _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 87.75 1 1 A ASP 2 2 90.67 1 2 A TYR 3 2 93.87 1 3 A TYR 4 2 92.57 1 4 A ARG 5 2 87.09 1 5 A LYS 6 2 91.94 1 6 A TYR 7 2 94.14 1 7 A ALA 8 2 98.47 1 8 A ALA 9 2 98.57 1 9 A VAL 10 2 98.13 1 10 A ILE 11 2 97.27 1 11 A LEU 12 2 95.21 1 12 A THR 13 2 96.61 1 13 A THR 14 2 97.21 1 14 A LEU 15 2 96.00 1 15 A SER 16 2 96.58 1 16 A VAL 17 2 98.49 1 17 A PHE 18 2 96.39 1 18 A LEU 19 2 96.48 1 19 A HIS 20 2 94.42 1 20 A ILE 21 2 98.29 1 21 A LEU 22 2 96.41 1 22 A HIS 23 2 90.72 1 23 A SER 24 2 88.58 1 24 # _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 ASP . 2 A 2 A 3 1 n TYR . 3 A 3 A 4 1 n TYR . 4 A 4 A 5 1 n ARG . 5 A 5 A 6 1 n LYS . 6 A 6 A 7 1 n TYR . 7 A 7 A 8 1 n ALA . 8 A 8 A 9 1 n ALA . 9 A 9 A 10 1 n VAL . 10 A 10 A 11 1 n ILE . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n THR . 13 A 13 A 14 1 n THR . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n SER . 16 A 16 A 17 1 n VAL . 17 A 17 A 18 1 n PHE . 18 A 18 A 19 1 n LEU . 19 A 19 A 20 1 n HIS . 20 A 20 A 21 1 n ILE . 21 A 21 A 22 1 n LEU . 22 A 22 A 23 1 n HIS . 23 A 23 A 24 1 n SER . 24 A 24 # _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 ? -16.624 -6.127 -7.856 1.00 94.41 1 A 1 ATOM 2 C CA . MET A 1 1 ? -16.027 -4.899 -7.292 1.00 95.75 1 A 1 ATOM 3 C C . MET A 1 1 ? -14.775 -5.192 -6.455 1.00 96.21 1 A 1 ATOM 4 O O . MET A 1 1 ? -14.404 -4.394 -5.603 1.00 94.88 1 A 1 ATOM 5 C CB . MET A 1 1 ? -17.078 -4.168 -6.453 1.00 92.87 1 A 1 ATOM 6 C CG . MET A 1 1 ? -17.958 -3.260 -7.311 1.00 83.68 1 A 1 ATOM 7 S SD . MET A 1 1 ? -19.346 -2.601 -6.377 1.00 76.20 1 A 1 ATOM 8 C CE . MET A 1 1 ? -19.793 -1.214 -7.417 1.00 68.01 1 A 1 ATOM 9 N N . ASP A 1 2 ? -14.132 -6.313 -6.705 1.00 95.30 2 A 1 ATOM 10 C CA . ASP A 1 2 ? -12.954 -6.709 -5.925 1.00 96.98 2 A 1 ATOM 11 C C . ASP A 1 2 ? -11.681 -5.977 -6.362 1.00 97.65 2 A 1 ATOM 12 O O . ASP A 1 2 ? -10.676 -6.009 -5.655 1.00 97.12 2 A 1 ATOM 13 C CB . ASP A 1 2 ? -12.779 -8.222 -6.041 1.00 95.21 2 A 1 ATOM 14 C CG . ASP A 1 2 ? -13.891 -8.942 -5.300 1.00 83.75 2 A 1 ATOM 15 O OD1 . ASP A 1 2 ? -13.737 -9.121 -4.079 1.00 79.93 2 A 1 ATOM 16 O OD2 . ASP A 1 2 ? -14.897 -9.278 -5.944 1.00 79.40 2 A 1 ATOM 17 N N . TYR A 1 3 ? -11.724 -5.298 -7.518 1.00 98.13 3 A 1 ATOM 18 C CA . TYR A 1 3 ? -10.563 -4.570 -8.037 1.00 98.14 3 A 1 ATOM 19 C C . TYR A 1 3 ? -10.151 -3.439 -7.096 1.00 98.25 3 A 1 ATOM 20 O O . TYR A 1 3 ? -8.961 -3.227 -6.869 1.00 98.06 3 A 1 ATOM 21 C CB . TYR A 1 3 ? -10.890 -4.024 -9.434 1.00 97.79 3 A 1 ATOM 22 C CG . TYR A 1 3 ? -10.942 -5.127 -10.472 1.00 94.90 3 A 1 ATOM 23 C CD1 . TYR A 1 3 ? -9.753 -5.649 -11.001 1.00 91.50 3 A 1 ATOM 24 C CD2 . TYR A 1 3 ? -12.170 -5.638 -10.906 1.00 91.67 3 A 1 ATOM 25 C CE1 . TYR A 1 3 ? -9.788 -6.674 -11.953 1.00 89.87 3 A 1 ATOM 26 C CE2 . TYR A 1 3 ? -12.215 -6.668 -11.860 1.00 91.00 3 A 1 ATOM 27 C CZ . TYR A 1 3 ? -11.017 -7.177 -12.379 1.00 89.79 3 A 1 ATOM 28 O OH . TYR A 1 3 ? -11.053 -8.182 -13.316 1.00 87.28 3 A 1 ATOM 29 N N . TYR A 1 4 ? -11.116 -2.737 -6.503 1.00 98.17 4 A 1 ATOM 30 C CA . TYR A 1 4 ? -10.824 -1.650 -5.562 1.00 98.27 4 A 1 ATOM 31 C C . TYR A 1 4 ? -10.146 -2.186 -4.301 1.00 98.33 4 A 1 ATOM 32 O O . TYR A 1 4 ? -9.227 -1.560 -3.773 1.00 98.18 4 A 1 ATOM 33 C CB . TYR A 1 4 ? -12.120 -0.916 -5.202 1.00 98.00 4 A 1 ATOM 34 C CG . TYR A 1 4 ? -12.683 -0.149 -6.381 1.00 93.19 4 A 1 ATOM 35 C CD1 . TYR A 1 4 ? -12.121 1.081 -6.751 1.00 88.54 4 A 1 ATOM 36 C CD2 . TYR A 1 4 ? -13.765 -0.657 -7.110 1.00 89.47 4 A 1 ATOM 37 C CE1 . TYR A 1 4 ? -12.634 1.793 -7.840 1.00 88.27 4 A 1 ATOM 38 C CE2 . TYR A 1 4 ? -14.285 0.049 -8.204 1.00 89.25 4 A 1 ATOM 39 C CZ . TYR A 1 4 ? -13.712 1.278 -8.564 1.00 87.45 4 A 1 ATOM 40 O OH . TYR A 1 4 ? -14.221 1.981 -9.634 1.00 83.75 4 A 1 ATOM 41 N N . ARG A 1 5 ? -10.546 -3.362 -3.840 1.00 98.00 5 A 1 ATOM 42 C CA . ARG A 1 5 ? -9.944 -3.992 -2.662 1.00 98.23 5 A 1 ATOM 43 C C . ARG A 1 5 ? -8.503 -4.408 -2.951 1.00 98.22 5 A 1 ATOM 44 O O . ARG A 1 5 ? -7.620 -4.192 -2.124 1.00 98.07 5 A 1 ATOM 45 C CB . ARG A 1 5 ? -10.804 -5.184 -2.220 1.00 98.04 5 A 1 ATOM 46 C CG . ARG A 1 5 ? -11.104 -5.100 -0.733 1.00 92.81 5 A 1 ATOM 47 C CD . ARG A 1 5 ? -12.110 -6.175 -0.303 1.00 88.16 5 A 1 ATOM 48 N NE . ARG A 1 5 ? -11.446 -7.460 -0.022 1.00 79.84 5 A 1 ATOM 49 C CZ . ARG A 1 5 ? -12.041 -8.504 0.547 1.00 73.62 5 A 1 ATOM 50 N NH1 . ARG A 1 5 ? -13.308 -8.475 0.883 1.00 67.79 5 A 1 ATOM 51 N NH2 . ARG A 1 5 ? -11.358 -9.600 0.798 1.00 65.24 5 A 1 ATOM 52 N N . LYS A 1 6 ? -8.264 -4.961 -4.132 1.00 98.22 6 A 1 ATOM 53 C CA . LYS A 1 6 ? -6.910 -5.345 -4.549 1.00 98.29 6 A 1 ATOM 54 C C . LYS A 1 6 ? -6.020 -4.113 -4.711 1.00 98.42 6 A 1 ATOM 55 O O . LYS A 1 6 ? -4.894 -4.109 -4.220 1.00 98.27 6 A 1 ATOM 56 C CB . LYS A 1 6 ? -6.967 -6.149 -5.856 1.00 98.09 6 A 1 ATOM 57 C CG . LYS A 1 6 ? -7.044 -7.651 -5.589 1.00 92.12 6 A 1 ATOM 58 C CD . LYS A 1 6 ? -6.957 -8.451 -6.887 1.00 88.41 6 A 1 ATOM 59 C CE . LYS A 1 6 ? -6.864 -9.945 -6.592 1.00 81.42 6 A 1 ATOM 60 N NZ . LYS A 1 6 ? -6.806 -10.745 -7.849 1.00 74.24 6 A 1 ATOM 61 N N . TYR A 1 7 ? -6.524 -3.065 -5.347 1.00 98.46 7 A 1 ATOM 62 C CA . TYR A 1 7 ? -5.768 -1.832 -5.540 1.00 98.50 7 A 1 ATOM 63 C C . TYR A 1 7 ? -5.442 -1.182 -4.200 1.00 98.57 7 A 1 ATOM 64 O O . TYR A 1 7 ? -4.302 -0.786 -3.964 1.00 98.47 7 A 1 ATOM 65 C CB . TYR A 1 7 ? -6.564 -0.864 -6.424 1.00 98.30 7 A 1 ATOM 66 C CG . TYR A 1 7 ? -5.867 -0.619 -7.746 1.00 94.81 7 A 1 ATOM 67 C CD1 . TYR A 1 7 ? -5.943 -1.558 -8.778 1.00 91.27 7 A 1 ATOM 68 C CD2 . TYR A 1 7 ? -5.126 0.548 -7.940 1.00 92.23 7 A 1 ATOM 69 C CE1 . TYR A 1 7 ? -5.291 -1.338 -9.996 1.00 89.97 7 A 1 ATOM 70 C CE2 . TYR A 1 7 ? -4.467 0.781 -9.154 1.00 91.33 7 A 1 ATOM 71 C CZ . TYR A 1 7 ? -4.556 -0.167 -10.178 1.00 89.73 7 A 1 ATOM 72 O OH . TYR A 1 7 ? -3.911 0.061 -11.374 1.00 88.03 7 A 1 ATOM 73 N N . ALA A 1 8 ? -6.417 -1.105 -3.314 1.00 98.48 8 A 1 ATOM 74 C CA . ALA A 1 8 ? -6.205 -0.536 -1.985 1.00 98.54 8 A 1 ATOM 75 C C . ALA A 1 8 ? -5.165 -1.349 -1.206 1.00 98.62 8 A 1 ATOM 76 O O . ALA A 1 8 ? -4.298 -0.773 -0.553 1.00 98.42 8 A 1 ATOM 77 C CB . ALA A 1 8 ? -7.538 -0.494 -1.239 1.00 98.30 8 A 1 ATOM 78 N N . ALA A 1 9 ? -5.219 -2.664 -1.297 1.00 98.65 9 A 1 ATOM 79 C CA . ALA A 1 9 ? -4.256 -3.529 -0.620 1.00 98.65 9 A 1 ATOM 80 C C . ALA A 1 9 ? -2.840 -3.327 -1.175 1.00 98.70 9 A 1 ATOM 81 O O . ALA A 1 9 ? -1.886 -3.238 -0.404 1.00 98.49 9 A 1 ATOM 82 C CB . ALA A 1 9 ? -4.706 -4.982 -0.764 1.00 98.38 9 A 1 ATOM 83 N N . VAL A 1 10 ? -2.697 -3.206 -2.493 1.00 98.72 10 A 1 ATOM 84 C CA . VAL A 1 10 ? -1.390 -2.978 -3.123 1.00 98.71 10 A 1 ATOM 85 C C . VAL A 1 10 ? -0.831 -1.618 -2.716 1.00 98.78 10 A 1 ATOM 86 O O . VAL A 1 10 ? 0.336 -1.523 -2.336 1.00 98.63 10 A 1 ATOM 87 C CB . VAL A 1 10 ? -1.498 -3.101 -4.653 1.00 98.48 10 A 1 ATOM 88 C CG1 . VAL A 1 10 ? -0.203 -2.679 -5.346 1.00 96.75 10 A 1 ATOM 89 C CG2 . VAL A 1 10 ? -1.805 -4.544 -5.045 1.00 96.87 10 A 1 ATOM 90 N N . ILE A 1 11 ? -1.650 -0.580 -2.763 1.00 98.65 11 A 1 ATOM 91 C CA . ILE A 1 11 ? -1.221 0.773 -2.391 1.00 98.65 11 A 1 ATOM 92 C C . ILE A 1 11 ? -0.820 0.811 -0.915 1.00 98.71 11 A 1 ATOM 93 O O . ILE A 1 11 ? 0.232 1.352 -0.575 1.00 98.63 11 A 1 ATOM 94 C CB . ILE A 1 11 ? -2.334 1.795 -2.706 1.00 98.56 11 A 1 ATOM 95 C CG1 . ILE A 1 11 ? -2.518 1.924 -4.231 1.00 97.11 11 A 1 ATOM 96 C CG2 . ILE A 1 11 ? -1.989 3.174 -2.114 1.00 96.22 11 A 1 ATOM 97 C CD1 . ILE A 1 11 ? -3.826 2.596 -4.624 1.00 91.66 11 A 1 ATOM 98 N N . LEU A 1 12 ? -1.628 0.236 -0.044 1.00 98.75 12 A 1 ATOM 99 C CA . LEU A 1 12 ? -1.325 0.191 1.389 1.00 98.70 12 A 1 ATOM 100 C C . LEU A 1 12 ? -0.043 -0.596 1.652 1.00 98.76 12 A 1 ATOM 101 O O . LEU A 1 12 ? 0.784 -0.174 2.458 1.00 98.63 12 A 1 ATOM 102 C CB . LEU A 1 12 ? -2.494 -0.431 2.163 1.00 98.44 12 A 1 ATOM 103 C CG . LEU A 1 12 ? -3.192 0.579 3.083 1.00 90.96 12 A 1 ATOM 104 C CD1 . LEU A 1 12 ? -4.463 1.113 2.432 1.00 87.68 12 A 1 ATOM 105 C CD2 . LEU A 1 12 ? -3.545 -0.079 4.410 1.00 89.79 12 A 1 ATOM 106 N N . THR A 1 13 ? 0.136 -1.720 0.965 1.00 98.76 13 A 1 ATOM 107 C CA . THR A 1 13 ? 1.336 -2.542 1.138 1.00 98.70 13 A 1 ATOM 108 C C . THR A 1 13 ? 2.572 -1.786 0.659 1.00 98.78 13 A 1 ATOM 109 O O . THR A 1 13 ? 3.583 -1.765 1.358 1.00 98.46 13 A 1 ATOM 110 C CB . THR A 1 13 ? 1.187 -3.868 0.383 1.00 98.30 13 A 1 ATOM 111 O OG1 . THR A 1 13 ? 0.041 -4.552 0.858 1.00 91.76 13 A 1 ATOM 112 C CG2 . THR A 1 13 ? 2.379 -4.787 0.615 1.00 91.54 13 A 1 ATOM 113 N N . THR A 1 14 ? 2.493 -1.129 -0.485 1.00 98.71 14 A 1 ATOM 114 C CA . THR A 1 14 ? 3.615 -0.350 -1.017 1.00 98.70 14 A 1 ATOM 115 C C . THR A 1 14 ? 3.976 0.791 -0.068 1.00 98.79 14 A 1 ATOM 116 O O . THR A 1 14 ? 5.150 0.984 0.245 1.00 98.57 14 A 1 ATOM 117 C CB . THR A 1 14 ? 3.267 0.200 -2.404 1.00 98.40 14 A 1 ATOM 118 O OG1 . THR A 1 14 ? 2.922 -0.870 -3.262 1.00 93.97 14 A 1 ATOM 119 C CG2 . THR A 1 14 ? 4.447 0.920 -3.039 1.00 93.31 14 A 1 ATOM 120 N N . LEU A 1 15 ? 2.988 1.524 0.418 1.00 98.78 15 A 1 ATOM 121 C CA . LEU A 1 15 ? 3.215 2.612 1.372 1.00 98.74 15 A 1 ATOM 122 C C . LEU A 1 15 ? 3.799 2.084 2.680 1.00 98.81 15 A 1 ATOM 123 O O . LEU A 1 15 ? 4.728 2.675 3.228 1.00 98.70 15 A 1 ATOM 124 C CB . LEU A 1 15 ? 1.887 3.345 1.627 1.00 98.51 15 A 1 ATOM 125 C CG . LEU A 1 15 ? 1.820 4.687 0.887 1.00 92.42 15 A 1 ATOM 126 C CD1 . LEU A 1 15 ? 0.379 5.052 0.554 1.00 89.86 15 A 1 ATOM 127 C CD2 . LEU A 1 15 ? 2.431 5.787 1.750 1.00 92.21 15 A 1 ATOM 128 N N . SER A 1 16 ? 3.287 0.969 3.165 1.00 98.65 16 A 1 ATOM 129 C CA . SER A 1 16 ? 3.763 0.365 4.409 1.00 98.63 16 A 1 ATOM 130 C C . SER A 1 16 ? 5.212 -0.104 4.267 1.00 98.73 16 A 1 ATOM 131 O O . SER A 1 16 ? 6.028 0.129 5.153 1.00 98.49 16 A 1 ATOM 132 C CB . SER A 1 16 ? 2.855 -0.802 4.793 1.00 98.20 16 A 1 ATOM 133 O OG . SER A 1 16 ? 2.929 -1.036 6.178 1.00 86.80 16 A 1 ATOM 134 N N . VAL A 1 17 ? 5.552 -0.722 3.140 1.00 98.86 17 A 1 ATOM 135 C CA . VAL A 1 17 ? 6.924 -1.172 2.875 1.00 98.85 17 A 1 ATOM 136 C C . VAL A 1 17 ? 7.856 0.033 2.748 1.00 98.89 17 A 1 ATOM 137 O O . VAL A 1 17 ? 8.948 0.029 3.313 1.00 98.80 17 A 1 ATOM 138 C CB . VAL A 1 17 ? 6.958 -2.048 1.609 1.00 98.68 17 A 1 ATOM 139 C CG1 . VAL A 1 17 ? 8.383 -2.342 1.158 1.00 97.61 17 A 1 ATOM 140 C CG2 . VAL A 1 17 ? 6.256 -3.380 1.867 1.00 97.77 17 A 1 ATOM 141 N N . PHE A 1 18 ? 7.423 1.076 2.054 1.00 98.78 18 A 1 ATOM 142 C CA . PHE A 1 18 ? 8.216 2.292 1.886 1.00 98.79 18 A 1 ATOM 143 C C . PHE A 1 18 ? 8.487 2.952 3.237 1.00 98.82 18 A 1 ATOM 144 O O . PHE A 1 18 ? 9.624 3.313 3.533 1.00 98.69 18 A 1 ATOM 145 C CB . PHE A 1 18 ? 7.472 3.243 0.948 1.00 98.67 18 A 1 ATOM 146 C CG . PHE A 1 18 ? 8.422 4.077 0.123 1.00 97.04 18 A 1 ATOM 147 C CD1 . PHE A 1 18 ? 8.965 3.566 -1.059 1.00 94.01 18 A 1 ATOM 148 C CD2 . PHE A 1 18 ? 8.767 5.364 0.530 1.00 94.82 18 A 1 ATOM 149 C CE1 . PHE A 1 18 ? 9.844 4.335 -1.822 1.00 93.34 18 A 1 ATOM 150 C CE2 . PHE A 1 18 ? 9.650 6.136 -0.230 1.00 93.58 18 A 1 ATOM 151 C CZ . PHE A 1 18 ? 10.190 5.620 -1.406 1.00 93.77 18 A 1 ATOM 152 N N . LEU A 1 19 ? 7.464 3.074 4.067 1.00 98.78 19 A 1 ATOM 153 C CA . LEU A 1 19 ? 7.618 3.628 5.413 1.00 98.72 19 A 1 ATOM 154 C C . LEU A 1 19 ? 8.515 2.738 6.271 1.00 98.72 19 A 1 ATOM 155 O O . LEU A 1 19 ? 9.333 3.239 7.037 1.00 98.55 19 A 1 ATOM 156 C CB . LEU A 1 19 ? 6.245 3.787 6.082 1.00 98.53 19 A 1 ATOM 157 C CG . LEU A 1 19 ? 5.856 5.256 6.289 1.00 94.79 19 A 1 ATOM 158 C CD1 . LEU A 1 19 ? 5.221 5.835 5.027 1.00 91.49 19 A 1 ATOM 159 C CD2 . LEU A 1 19 ? 4.877 5.377 7.448 1.00 92.30 19 A 1 ATOM 160 N N . HIS A 1 20 ? 8.379 1.422 6.134 1.00 98.74 20 A 1 ATOM 161 C CA . HIS A 1 20 ? 9.190 0.475 6.905 1.00 98.68 20 A 1 ATOM 162 C C . HIS A 1 20 ? 10.666 0.599 6.525 1.00 98.73 20 A 1 ATOM 163 O O . HIS A 1 20 ? 11.528 0.610 7.399 1.00 98.51 20 A 1 ATOM 164 C CB . HIS A 1 20 ? 8.670 -0.941 6.662 1.00 98.40 20 A 1 ATOM 165 C CG . HIS A 1 20 ? 9.215 -1.917 7.665 1.00 96.23 20 A 1 ATOM 166 N ND1 . HIS A 1 20 ? 8.712 -2.091 8.932 1.00 85.25 20 A 1 ATOM 167 C CD2 . HIS A 1 20 ? 10.262 -2.783 7.539 1.00 89.19 20 A 1 ATOM 168 C CE1 . HIS A 1 20 ? 9.438 -3.033 9.542 1.00 89.17 20 A 1 ATOM 169 N NE2 . HIS A 1 20 ? 10.385 -3.478 8.728 1.00 91.30 20 A 1 ATOM 170 N N . ILE A 1 21 ? 10.962 0.729 5.230 1.00 98.86 21 A 1 ATOM 171 C CA . ILE A 1 21 ? 12.345 0.898 4.764 1.00 98.81 21 A 1 ATOM 172 C C . ILE A 1 21 ? 12.895 2.252 5.218 1.00 98.80 21 A 1 ATOM 173 O O . ILE A 1 21 ? 14.054 2.341 5.627 1.00 98.62 21 A 1 ATOM 174 C CB . ILE A 1 21 ? 12.405 0.758 3.230 1.00 98.68 21 A 1 ATOM 175 C CG1 . ILE A 1 21 ? 12.063 -0.682 2.804 1.00 98.09 21 A 1 ATOM 176 C CG2 . ILE A 1 21 ? 13.805 1.129 2.706 1.00 97.97 21 A 1 ATOM 177 C CD1 . ILE A 1 21 ? 11.720 -0.801 1.323 1.00 96.51 21 A 1 ATOM 178 N N . LEU A 1 22 ? 12.082 3.297 5.161 1.00 98.74 22 A 1 ATOM 179 C CA . LEU A 1 22 ? 12.513 4.642 5.548 1.00 98.60 22 A 1 ATOM 180 C C . LEU A 1 22 ? 12.678 4.774 7.064 1.00 98.44 22 A 1 ATOM 181 O O . LEU A 1 22 ? 13.495 5.567 7.531 1.00 97.99 22 A 1 ATOM 182 C CB . LEU A 1 22 ? 11.496 5.658 5.010 1.00 98.37 22 A 1 ATOM 183 C CG . LEU A 1 22 ? 12.155 6.978 4.602 1.00 95.40 22 A 1 ATOM 184 C CD1 . LEU A 1 22 ? 11.786 7.336 3.163 1.00 92.30 22 A 1 ATOM 185 C CD2 . LEU A 1 22 ? 11.726 8.110 5.524 1.00 91.42 22 A 1 ATOM 186 N N . HIS A 1 23 ? 11.913 4.006 7.821 1.00 98.06 23 A 1 ATOM 187 C CA . HIS A 1 23 ? 11.941 4.053 9.287 1.00 97.68 23 A 1 ATOM 188 C C . HIS A 1 23 ? 12.848 2.972 9.891 1.00 97.40 23 A 1 ATOM 189 O O . HIS A 1 23 ? 13.027 2.921 11.108 1.00 96.26 23 A 1 ATOM 190 C CB . HIS A 1 23 ? 10.508 3.926 9.819 1.00 96.58 23 A 1 ATOM 191 C CG . HIS A 1 23 ? 10.347 4.507 11.190 1.00 92.78 23 A 1 ATOM 192 N ND1 . HIS A 1 23 ? 10.127 3.763 12.322 1.00 81.77 23 A 1 ATOM 193 C CD2 . HIS A 1 23 ? 10.369 5.811 11.580 1.00 79.95 23 A 1 ATOM 194 C CE1 . HIS A 1 23 ? 10.021 4.601 13.363 1.00 83.91 23 A 1 ATOM 195 N NE2 . HIS A 1 23 ? 10.163 5.853 12.945 1.00 82.84 23 A 1 ATOM 196 N N . SER A 1 24 ? 13.413 2.107 9.060 1.00 96.37 24 A 1 ATOM 197 C CA . SER A 1 24 ? 14.259 1.011 9.528 1.00 94.50 24 A 1 ATOM 198 C C . SER A 1 24 ? 15.718 1.241 9.166 1.00 90.57 24 A 1 ATOM 199 O O . SER A 1 24 ? 15.982 1.702 8.045 1.00 83.53 24 A 1 ATOM 200 C CB . SER A 1 24 ? 13.770 -0.326 8.981 1.00 91.01 24 A 1 ATOM 201 O OG . SER A 1 24 ? 13.970 -1.350 9.943 1.00 81.61 24 A 1 ATOM 202 O OXT . SER A 1 24 ? 16.576 0.947 9.992 1.00 82.44 24 A 1 #