# 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_spkb27406 # _entry.id spkb27406 # 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" "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" "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" "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 ARG 2 1 n ARG 3 1 n ILE 4 1 n THR 5 1 n PRO 6 1 n PHE 7 1 n PHE 8 1 n PRO 9 1 n PHE 10 1 n PHE 11 1 n VAL 12 1 n LEU 13 1 n LEU 14 1 n VAL 15 1 n SER 16 1 n HIS 17 1 n PHE 18 1 n SER 19 1 n LEU 20 1 n ALA 21 # _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 @ 2025-07-11 18:38:15)" _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 88.56 _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 74.88 1 1 A ARG 2 2 74.69 1 2 A ARG 3 2 74.27 1 3 A ILE 4 2 82.29 1 4 A THR 5 2 88.35 1 5 A PRO 6 2 92.35 1 6 A PHE 7 2 89.53 1 7 A PHE 8 2 91.86 1 8 A PRO 9 2 94.96 1 9 A PHE 10 2 92.60 1 10 A PHE 11 2 93.88 1 11 A VAL 12 2 95.01 1 12 A LEU 13 2 92.87 1 13 A LEU 14 2 92.88 1 14 A VAL 15 2 94.47 1 15 A SER 16 2 95.62 1 16 A HIS 17 2 89.40 1 17 A PHE 18 2 93.26 1 18 A SER 19 2 94.00 1 19 A LEU 20 2 88.19 1 20 A ALA 21 2 82.15 1 21 # _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 ARG . 2 A 2 A 3 1 n ARG . 3 A 3 A 4 1 n ILE . 4 A 4 A 5 1 n THR . 5 A 5 A 6 1 n PRO . 6 A 6 A 7 1 n PHE . 7 A 7 A 8 1 n PHE . 8 A 8 A 9 1 n PRO . 9 A 9 A 10 1 n PHE . 10 A 10 A 11 1 n PHE . 11 A 11 A 12 1 n VAL . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n VAL . 15 A 15 A 16 1 n SER . 16 A 16 A 17 1 n HIS . 17 A 17 A 18 1 n PHE . 18 A 18 A 19 1 n SER . 19 A 19 A 20 1 n LEU . 20 A 20 A 21 1 n ALA . 21 A 21 # _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 ? -18.838 2.814 11.081 1.00 79.23 1 A 1 ATOM 2 C CA . MET A 1 1 ? -17.644 2.979 10.231 1.00 81.94 1 A 1 ATOM 3 C C . MET A 1 1 ? -17.363 1.710 9.436 1.00 83.24 1 A 1 ATOM 4 O O . MET A 1 1 ? -17.346 0.623 9.998 1.00 76.96 1 A 1 ATOM 5 C CB . MET A 1 1 ? -16.433 3.289 11.100 1.00 76.26 1 A 1 ATOM 6 C CG . MET A 1 1 ? -16.556 4.649 11.771 1.00 72.92 1 A 1 ATOM 7 S SD . MET A 1 1 ? -15.221 4.968 12.927 1.00 68.79 1 A 1 ATOM 8 C CE . MET A 1 1 ? -15.666 6.611 13.468 1.00 59.66 1 A 1 ATOM 9 N N . ARG A 1 2 ? -17.150 1.849 8.159 1.00 87.44 2 A 1 ATOM 10 C CA . ARG A 1 2 ? -16.903 0.699 7.287 1.00 88.14 2 A 1 ATOM 11 C C . ARG A 1 2 ? -15.486 0.763 6.709 1.00 88.74 2 A 1 ATOM 12 O O . ARG A 1 2 ? -15.226 1.514 5.774 1.00 83.51 2 A 1 ATOM 13 C CB . ARG A 1 2 ? -17.936 0.713 6.168 1.00 83.84 2 A 1 ATOM 14 C CG . ARG A 1 2 ? -17.857 -0.507 5.274 1.00 73.80 2 A 1 ATOM 15 C CD . ARG A 1 2 ? -18.699 -0.270 4.034 1.00 74.35 2 A 1 ATOM 16 N NE . ARG A 1 2 ? -18.587 -1.361 3.079 1.00 66.36 2 A 1 ATOM 17 C CZ . ARG A 1 2 ? -18.703 -1.189 1.771 1.00 61.14 2 A 1 ATOM 18 N NH1 . ARG A 1 2 ? -18.850 0.014 1.255 1.00 58.04 2 A 1 ATOM 19 N NH2 . ARG A 1 2 ? -18.672 -2.229 0.971 1.00 56.19 2 A 1 ATOM 20 N N . ARG A 1 3 ? -14.591 -0.032 7.260 1.00 86.72 3 A 1 ATOM 21 C CA . ARG A 1 3 ? -13.195 -0.040 6.804 1.00 87.99 3 A 1 ATOM 22 C C . ARG A 1 3 ? -12.620 -1.454 6.801 1.00 89.56 3 A 1 ATOM 23 O O . ARG A 1 3 ? -12.423 -2.037 7.859 1.00 84.32 3 A 1 ATOM 24 C CB . ARG A 1 3 ? -12.364 0.867 7.713 1.00 82.88 3 A 1 ATOM 25 C CG . ARG A 1 3 ? -11.236 1.533 6.964 1.00 72.33 3 A 1 ATOM 26 C CD . ARG A 1 3 ? -10.442 2.450 7.884 1.00 72.78 3 A 1 ATOM 27 N NE . ARG A 1 3 ? -11.272 3.536 8.412 1.00 65.83 3 A 1 ATOM 28 C CZ . ARG A 1 3 ? -10.819 4.462 9.251 1.00 61.18 3 A 1 ATOM 29 N NH1 . ARG A 1 3 ? -9.562 4.453 9.656 1.00 57.50 3 A 1 ATOM 30 N NH2 . ARG A 1 3 ? -11.627 5.402 9.692 1.00 55.87 3 A 1 ATOM 31 N N . ILE A 1 4 ? -12.370 -1.982 5.631 1.00 86.39 4 A 1 ATOM 32 C CA . ILE A 1 4 ? -11.822 -3.336 5.499 1.00 86.45 4 A 1 ATOM 33 C C . ILE A 1 4 ? -10.797 -3.373 4.367 1.00 88.57 4 A 1 ATOM 34 O O . ILE A 1 4 ? -10.935 -4.122 3.398 1.00 84.29 4 A 1 ATOM 35 C CB . ILE A 1 4 ? -12.930 -4.362 5.238 1.00 84.28 4 A 1 ATOM 36 C CG1 . ILE A 1 4 ? -14.077 -4.206 6.227 1.00 79.31 4 A 1 ATOM 37 C CG2 . ILE A 1 4 ? -12.354 -5.775 5.336 1.00 78.79 4 A 1 ATOM 38 C CD1 . ILE A 1 4 ? -15.260 -5.097 5.895 1.00 70.21 4 A 1 ATOM 39 N N . THR A 1 5 ? -9.763 -2.553 4.498 1.00 91.57 5 A 1 ATOM 40 C CA . THR A 1 5 ? -8.732 -2.482 3.465 1.00 92.03 5 A 1 ATOM 41 C C . THR A 1 5 ? -7.328 -2.608 4.060 1.00 92.52 5 A 1 ATOM 42 O O . THR A 1 5 ? -6.715 -1.606 4.426 1.00 91.24 5 A 1 ATOM 43 C CB . THR A 1 5 ? -8.837 -1.161 2.702 1.00 90.36 5 A 1 ATOM 44 O OG1 . THR A 1 5 ? -8.881 -0.075 3.609 1.00 81.07 5 A 1 ATOM 45 C CG2 . THR A 1 5 ? -10.066 -1.141 1.832 1.00 79.68 5 A 1 ATOM 46 N N . PRO A 1 6 ? -6.805 -3.817 4.150 1.00 93.60 6 A 1 ATOM 47 C CA . PRO A 1 6 ? -5.465 -4.053 4.692 1.00 93.91 6 A 1 ATOM 48 C C . PRO A 1 6 ? -4.365 -3.567 3.747 1.00 95.18 6 A 1 ATOM 49 O O . PRO A 1 6 ? -3.189 -3.557 4.106 1.00 93.65 6 A 1 ATOM 50 C CB . PRO A 1 6 ? -5.412 -5.571 4.858 1.00 90.95 6 A 1 ATOM 51 C CG . PRO A 1 6 ? -6.372 -6.091 3.841 1.00 88.25 6 A 1 ATOM 52 C CD . PRO A 1 6 ? -7.464 -5.059 3.749 1.00 90.93 6 A 1 ATOM 53 N N . PHE A 1 7 ? -4.755 -3.173 2.554 1.00 93.95 7 A 1 ATOM 54 C CA . PHE A 1 7 ? -3.812 -2.695 1.552 1.00 94.42 7 A 1 ATOM 55 C C . PHE A 1 7 ? -3.341 -1.279 1.855 1.00 95.63 7 A 1 ATOM 56 O O . PHE A 1 7 ? -2.329 -0.831 1.318 1.00 94.76 7 A 1 ATOM 57 C CB . PHE A 1 7 ? -4.465 -2.723 0.172 1.00 93.28 7 A 1 ATOM 58 C CG . PHE A 1 7 ? -4.869 -4.103 -0.261 1.00 89.51 7 A 1 ATOM 59 C CD1 . PHE A 1 7 ? -3.916 -5.013 -0.684 1.00 86.74 7 A 1 ATOM 60 C CD2 . PHE A 1 7 ? -6.200 -4.485 -0.245 1.00 86.10 7 A 1 ATOM 61 C CE1 . PHE A 1 7 ? -4.282 -6.284 -1.083 1.00 83.31 7 A 1 ATOM 62 C CE2 . PHE A 1 7 ? -6.574 -5.761 -0.643 1.00 83.17 7 A 1 ATOM 63 C CZ . PHE A 1 7 ? -5.612 -6.658 -1.061 1.00 83.94 7 A 1 ATOM 64 N N . PHE A 1 8 ? -4.071 -0.589 2.708 1.00 94.78 8 A 1 ATOM 65 C CA . PHE A 1 8 ? -3.722 0.780 3.079 1.00 94.95 8 A 1 ATOM 66 C C . PHE A 1 8 ? -2.295 0.851 3.638 1.00 95.87 8 A 1 ATOM 67 O O . PHE A 1 8 ? -1.453 1.562 3.091 1.00 95.43 8 A 1 ATOM 68 C CB . PHE A 1 8 ? -4.733 1.315 4.094 1.00 94.31 8 A 1 ATOM 69 C CG . PHE A 1 8 ? -4.730 2.817 4.190 1.00 92.12 8 A 1 ATOM 70 C CD1 . PHE A 1 8 ? -5.332 3.591 3.208 1.00 89.32 8 A 1 ATOM 71 C CD2 . PHE A 1 8 ? -4.126 3.448 5.262 1.00 89.56 8 A 1 ATOM 72 C CE1 . PHE A 1 8 ? -5.325 4.973 3.292 1.00 87.85 8 A 1 ATOM 73 C CE2 . PHE A 1 8 ? -4.113 4.835 5.354 1.00 87.51 8 A 1 ATOM 74 C CZ . PHE A 1 8 ? -4.715 5.597 4.365 1.00 88.73 8 A 1 ATOM 75 N N . PRO A 1 9 ? -2.008 0.130 4.718 1.00 95.61 9 A 1 ATOM 76 C CA . PRO A 1 9 ? -0.653 0.134 5.286 1.00 95.65 9 A 1 ATOM 77 C C . PRO A 1 9 ? 0.334 -0.596 4.384 1.00 96.09 9 A 1 ATOM 78 O O . PRO A 1 9 ? 1.510 -0.244 4.321 1.00 94.89 9 A 1 ATOM 79 C CB . PRO A 1 9 ? -0.819 -0.589 6.625 1.00 94.30 9 A 1 ATOM 80 C CG . PRO A 1 9 ? -2.018 -1.448 6.442 1.00 93.00 9 A 1 ATOM 81 C CD . PRO A 1 9 ? -2.918 -0.698 5.494 1.00 95.17 9 A 1 ATOM 82 N N . PHE A 1 10 ? -0.141 -1.599 3.691 1.00 95.40 10 A 1 ATOM 83 C CA . PHE A 1 10 ? 0.699 -2.374 2.783 1.00 95.64 10 A 1 ATOM 84 C C . PHE A 1 10 ? 1.172 -1.508 1.618 1.00 96.18 10 A 1 ATOM 85 O O . PHE A 1 10 ? 2.317 -1.605 1.184 1.00 95.54 10 A 1 ATOM 86 C CB . PHE A 1 10 ? -0.092 -3.569 2.257 1.00 95.30 10 A 1 ATOM 87 C CG . PHE A 1 10 ? 0.784 -4.769 2.028 1.00 92.69 10 A 1 ATOM 88 C CD1 . PHE A 1 10 ? 1.555 -4.880 0.882 1.00 89.70 10 A 1 ATOM 89 C CD2 . PHE A 1 10 ? 0.834 -5.782 2.979 1.00 90.49 10 A 1 ATOM 90 C CE1 . PHE A 1 10 ? 2.369 -5.983 0.679 1.00 88.81 10 A 1 ATOM 91 C CE2 . PHE A 1 10 ? 1.647 -6.890 2.778 1.00 89.11 10 A 1 ATOM 92 C CZ . PHE A 1 10 ? 2.413 -6.987 1.626 1.00 89.76 10 A 1 ATOM 93 N N . PHE A 1 11 ? 0.286 -0.662 1.124 1.00 95.73 11 A 1 ATOM 94 C CA . PHE A 1 11 ? 0.606 0.234 0.019 1.00 95.75 11 A 1 ATOM 95 C C . PHE A 1 11 ? 1.691 1.215 0.432 1.00 96.27 11 A 1 ATOM 96 O O . PHE A 1 11 ? 2.632 1.470 -0.316 1.00 95.96 11 A 1 ATOM 97 C CB . PHE A 1 11 ? -0.652 0.990 -0.412 1.00 95.63 11 A 1 ATOM 98 C CG . PHE A 1 11 ? -0.659 1.290 -1.889 1.00 94.23 11 A 1 ATOM 99 C CD1 . PHE A 1 11 ? 0.035 2.377 -2.399 1.00 91.42 11 A 1 ATOM 100 C CD2 . PHE A 1 11 ? -1.360 0.466 -2.763 1.00 92.46 11 A 1 ATOM 101 C CE1 . PHE A 1 11 ? 0.038 2.646 -3.760 1.00 91.30 11 A 1 ATOM 102 C CE2 . PHE A 1 11 ? -1.364 0.734 -4.127 1.00 91.75 11 A 1 ATOM 103 C CZ . PHE A 1 11 ? -0.665 1.822 -4.623 1.00 92.15 11 A 1 ATOM 104 N N . VAL A 1 12 ? 1.567 1.751 1.627 1.00 96.60 12 A 1 ATOM 105 C CA . VAL A 1 12 ? 2.553 2.695 2.156 1.00 96.18 12 A 1 ATOM 106 C C . VAL A 1 12 ? 3.912 2.013 2.275 1.00 96.46 12 A 1 ATOM 107 O O . VAL A 1 12 ? 4.940 2.585 1.903 1.00 95.67 12 A 1 ATOM 108 C CB . VAL A 1 12 ? 2.117 3.235 3.527 1.00 95.58 12 A 1 ATOM 109 C CG1 . VAL A 1 12 ? 3.173 4.174 4.098 1.00 92.26 12 A 1 ATOM 110 C CG2 . VAL A 1 12 ? 0.784 3.959 3.409 1.00 92.34 12 A 1 ATOM 111 N N . LEU A 1 13 ? 3.910 0.803 2.788 1.00 95.72 13 A 1 ATOM 112 C CA . LEU A 1 13 ? 5.138 0.029 2.943 1.00 95.55 13 A 1 ATOM 113 C C . LEU A 1 13 ? 5.736 -0.302 1.578 1.00 96.17 13 A 1 ATOM 114 O O . LEU A 1 13 ? 6.951 -0.260 1.399 1.00 95.73 13 A 1 ATOM 115 C CB . LEU A 1 13 ? 4.843 -1.263 3.708 1.00 95.70 13 A 1 ATOM 116 C CG . LEU A 1 13 ? 5.689 -1.437 4.966 1.00 89.94 13 A 1 ATOM 117 C CD1 . LEU A 1 13 ? 5.180 -0.527 6.073 1.00 86.69 13 A 1 ATOM 118 C CD2 . LEU A 1 13 ? 5.677 -2.885 5.409 1.00 87.49 13 A 1 ATOM 119 N N . LEU A 1 14 ? 4.882 -0.621 0.648 1.00 95.51 14 A 1 ATOM 120 C CA . LEU A 1 14 ? 5.301 -0.963 -0.710 1.00 95.36 14 A 1 ATOM 121 C C . LEU A 1 14 ? 5.987 0.223 -1.380 1.00 96.11 14 A 1 ATOM 122 O O . LEU A 1 14 ? 7.052 0.078 -1.980 1.00 96.00 14 A 1 ATOM 123 C CB . LEU A 1 14 ? 4.081 -1.409 -1.524 1.00 95.29 14 A 1 ATOM 124 C CG . LEU A 1 14 ? 4.434 -2.154 -2.810 1.00 89.48 14 A 1 ATOM 125 C CD1 . LEU A 1 14 ? 3.455 -3.293 -3.045 1.00 87.11 14 A 1 ATOM 126 C CD2 . LEU A 1 14 ? 4.423 -1.207 -3.994 1.00 88.20 14 A 1 ATOM 127 N N . VAL A 1 15 ? 5.382 1.387 -1.273 1.00 96.47 15 A 1 ATOM 128 C CA . VAL A 1 15 ? 5.939 2.609 -1.862 1.00 96.02 15 A 1 ATOM 129 C C . VAL A 1 15 ? 7.266 2.957 -1.199 1.00 96.32 15 A 1 ATOM 130 O O . VAL A 1 15 ? 8.227 3.344 -1.869 1.00 95.50 15 A 1 ATOM 131 C CB . VAL A 1 15 ? 4.949 3.783 -1.719 1.00 95.18 15 A 1 ATOM 132 C CG1 . VAL A 1 15 ? 5.568 5.075 -2.230 1.00 90.56 15 A 1 ATOM 133 C CG2 . VAL A 1 15 ? 3.666 3.489 -2.478 1.00 91.25 15 A 1 ATOM 134 N N . SER A 1 16 ? 7.318 2.818 0.113 1.00 97.43 16 A 1 ATOM 135 C CA . SER A 1 16 ? 8.523 3.125 0.874 1.00 97.20 16 A 1 ATOM 136 C C . SER A 1 16 ? 9.663 2.191 0.474 1.00 97.18 16 A 1 ATOM 137 O O . SER A 1 16 ? 10.790 2.634 0.255 1.00 96.02 16 A 1 ATOM 138 C CB . SER A 1 16 ? 8.240 2.998 2.367 1.00 96.84 16 A 1 ATOM 139 O OG . SER A 1 16 ? 9.366 3.413 3.107 1.00 89.06 16 A 1 ATOM 140 N N . HIS A 1 17 ? 9.368 0.918 0.373 1.00 95.46 17 A 1 ATOM 141 C CA . HIS A 1 17 ? 10.362 -0.083 -0.014 1.00 95.15 17 A 1 ATOM 142 C C . HIS A 1 17 ? 10.815 0.126 -1.457 1.00 95.98 17 A 1 ATOM 143 O O . HIS A 1 17 ? 11.980 -0.083 -1.792 1.00 94.76 17 A 1 ATOM 144 C CB . HIS A 1 17 ? 9.768 -1.484 0.166 1.00 94.10 17 A 1 ATOM 145 C CG . HIS A 1 17 ? 10.284 -2.477 -0.836 1.00 89.79 17 A 1 ATOM 146 N ND1 . HIS A 1 17 ? 11.440 -3.199 -0.658 1.00 80.17 17 A 1 ATOM 147 C CD2 . HIS A 1 17 ? 9.784 -2.866 -2.035 1.00 82.21 17 A 1 ATOM 148 C CE1 . HIS A 1 17 ? 11.616 -3.987 -1.715 1.00 82.33 17 A 1 ATOM 149 N NE2 . HIS A 1 17 ? 10.632 -3.812 -2.567 1.00 84.08 17 A 1 ATOM 150 N N . PHE A 1 18 ? 9.895 0.540 -2.292 1.00 96.70 18 A 1 ATOM 151 C CA . PHE A 1 18 ? 10.178 0.761 -3.705 1.00 96.63 18 A 1 ATOM 152 C C . PHE A 1 18 ? 11.109 1.948 -3.901 1.00 97.28 18 A 1 ATOM 153 O O . PHE A 1 18 ? 12.021 1.902 -4.725 1.00 96.33 18 A 1 ATOM 154 C CB . PHE A 1 18 ? 8.861 0.994 -4.455 1.00 95.87 18 A 1 ATOM 155 C CG . PHE A 1 18 ? 8.891 0.436 -5.855 1.00 93.35 18 A 1 ATOM 156 C CD1 . PHE A 1 18 ? 8.853 -0.930 -6.068 1.00 89.78 18 A 1 ATOM 157 C CD2 . PHE A 1 18 ? 8.951 1.286 -6.945 1.00 90.59 18 A 1 ATOM 158 C CE1 . PHE A 1 18 ? 8.878 -1.446 -7.355 1.00 89.84 18 A 1 ATOM 159 C CE2 . PHE A 1 18 ? 8.979 0.774 -8.239 1.00 89.68 18 A 1 ATOM 160 C CZ . PHE A 1 18 ? 8.944 -0.592 -8.440 1.00 89.82 18 A 1 ATOM 161 N N . SER A 1 19 ? 10.886 3.000 -3.151 1.00 96.45 19 A 1 ATOM 162 C CA . SER A 1 19 ? 11.678 4.222 -3.272 1.00 96.40 19 A 1 ATOM 163 C C . SER A 1 19 ? 12.876 4.224 -2.327 1.00 96.12 19 A 1 ATOM 164 O O . SER A 1 19 ? 13.985 4.585 -2.723 1.00 93.49 19 A 1 ATOM 165 C CB . SER A 1 19 ? 10.799 5.443 -2.991 1.00 95.40 19 A 1 ATOM 166 O OG . SER A 1 19 ? 11.507 6.630 -3.294 1.00 86.15 19 A 1 ATOM 167 N N . LEU A 1 20 ? 12.644 3.840 -1.091 1.00 94.34 20 A 1 ATOM 168 C CA . LEU A 1 20 ? 13.687 3.850 -0.068 1.00 93.28 20 A 1 ATOM 169 C C . LEU A 1 20 ? 14.613 2.643 -0.185 1.00 93.06 20 A 1 ATOM 170 O O . LEU A 1 20 ? 15.818 2.790 -0.408 1.00 90.45 20 A 1 ATOM 171 C CB . LEU A 1 20 ? 13.042 3.912 1.324 1.00 91.40 20 A 1 ATOM 172 C CG . LEU A 1 20 ? 13.861 4.703 2.344 1.00 85.75 20 A 1 ATOM 173 C CD1 . LEU A 1 20 ? 12.949 5.368 3.359 1.00 80.13 20 A 1 ATOM 174 C CD2 . LEU A 1 20 ? 14.851 3.790 3.041 1.00 77.15 20 A 1 ATOM 175 N N . ALA A 1 21 ? 14.043 1.454 -0.041 1.00 90.87 21 A 1 ATOM 176 C CA . ALA A 1 21 ? 14.826 0.218 -0.091 1.00 87.91 21 A 1 ATOM 177 C C . ALA A 1 21 ? 14.356 -0.674 -1.226 1.00 82.78 21 A 1 ATOM 178 O O . ALA A 1 21 ? 15.195 -1.082 -2.052 1.00 78.19 21 A 1 ATOM 179 C CB . ALA A 1 21 ? 14.719 -0.514 1.244 1.00 81.50 21 A 1 ATOM 180 O OXT . ALA A 1 21 ? 13.156 -0.977 -1.261 1.00 71.67 21 A 1 #