# 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_spkb21701 # _entry.id spkb21701 # 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 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" "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 LYS 2 1 n LEU 3 1 n ARG 4 1 n HIS 5 1 n LEU 6 1 n PRO 7 1 n LEU 8 1 n ILE 9 1 n ALA 10 1 n ALA 11 1 n ILE 12 1 n GLY 13 1 n LEU 14 1 n PHE 15 1 n SER 16 1 n THR 17 1 n VAL 18 1 n THR 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 @ 2025-07-09 18:31:51)" _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 89.52 _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 78.11 1 1 A LYS 2 2 79.23 1 2 A LEU 3 2 86.21 1 3 A ARG 4 2 78.43 1 4 A HIS 5 2 85.09 1 5 A LEU 6 2 89.33 1 6 A PRO 7 2 94.12 1 7 A LEU 8 2 91.67 1 8 A ILE 9 2 92.09 1 9 A ALA 10 2 95.99 1 10 A ALA 11 2 96.26 1 11 A ILE 12 2 93.17 1 12 A GLY 13 2 96.35 1 13 A LEU 14 2 93.56 1 14 A PHE 15 2 93.32 1 15 A SER 16 2 94.65 1 16 A THR 17 2 94.04 1 17 A VAL 18 2 95.87 1 18 A THR 19 2 92.47 1 19 A LEU 20 2 90.19 1 20 A ALA 21 2 86.05 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 LYS . 2 A 2 A 3 1 n LEU . 3 A 3 A 4 1 n ARG . 4 A 4 A 5 1 n HIS . 5 A 5 A 6 1 n LEU . 6 A 6 A 7 1 n PRO . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n ILE . 9 A 9 A 10 1 n ALA . 10 A 10 A 11 1 n ALA . 11 A 11 A 12 1 n ILE . 12 A 12 A 13 1 n GLY . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n PHE . 15 A 15 A 16 1 n SER . 16 A 16 A 17 1 n THR . 17 A 17 A 18 1 n VAL . 18 A 18 A 19 1 n THR . 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 ? -12.934 -0.084 10.940 1.00 83.99 1 A 1 ATOM 2 C CA . MET A 1 1 ? -12.448 -0.724 9.699 1.00 85.06 1 A 1 ATOM 3 C C . MET A 1 1 ? -10.933 -0.595 9.580 1.00 86.24 1 A 1 ATOM 4 O O . MET A 1 1 ? -10.406 0.512 9.660 1.00 80.85 1 A 1 ATOM 5 C CB . MET A 1 1 ? -13.100 -0.067 8.489 1.00 79.19 1 A 1 ATOM 6 C CG . MET A 1 1 ? -14.579 -0.377 8.400 1.00 75.66 1 A 1 ATOM 7 S SD . MET A 1 1 ? -15.320 0.338 6.930 1.00 71.47 1 A 1 ATOM 8 C CE . MET A 1 1 ? -16.593 1.330 7.682 1.00 62.44 1 A 1 ATOM 9 N N . LYS A 1 2 ? -10.247 -1.717 9.394 1.00 86.29 2 A 1 ATOM 10 C CA . LYS A 1 2 ? -8.784 -1.718 9.280 1.00 87.19 2 A 1 ATOM 11 C C . LYS A 1 2 ? -8.319 -2.753 8.250 1.00 88.72 2 A 1 ATOM 12 O O . LYS A 1 2 ? -7.324 -3.447 8.462 1.00 86.99 2 A 1 ATOM 13 C CB . LYS A 1 2 ? -8.169 -2.006 10.648 1.00 83.54 2 A 1 ATOM 14 C CG . LYS A 1 2 ? -8.306 -0.839 11.612 1.00 75.53 2 A 1 ATOM 15 C CD . LYS A 1 2 ? -7.612 -1.131 12.932 1.00 75.25 2 A 1 ATOM 16 C CE . LYS A 1 2 ? -8.547 -1.789 13.917 1.00 67.64 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? -7.912 -1.930 15.256 1.00 61.91 2 A 1 ATOM 18 N N . LEU A 1 3 ? -9.041 -2.867 7.145 1.00 89.31 3 A 1 ATOM 19 C CA . LEU A 1 3 ? -8.697 -3.818 6.085 1.00 90.53 3 A 1 ATOM 20 C C . LEU A 1 3 ? -8.364 -3.093 4.785 1.00 92.03 3 A 1 ATOM 21 O O . LEU A 1 3 ? -7.454 -3.491 4.055 1.00 88.81 3 A 1 ATOM 22 C CB . LEU A 1 3 ? -9.862 -4.792 5.872 1.00 88.46 3 A 1 ATOM 23 C CG . LEU A 1 3 ? -9.466 -6.039 5.095 1.00 83.92 3 A 1 ATOM 24 C CD1 . LEU A 1 3 ? -8.729 -7.021 6.008 1.00 80.10 3 A 1 ATOM 25 C CD2 . LEU A 1 3 ? -10.702 -6.711 4.509 1.00 76.49 3 A 1 ATOM 26 N N . ARG A 1 4 ? -9.101 -2.023 4.503 1.00 88.98 4 A 1 ATOM 27 C CA . ARG A 1 4 ? -8.880 -1.229 3.290 1.00 89.88 4 A 1 ATOM 28 C C . ARG A 1 4 ? -7.667 -0.310 3.433 1.00 91.65 4 A 1 ATOM 29 O O . ARG A 1 4 ? -7.084 0.121 2.444 1.00 88.10 4 A 1 ATOM 30 C CB . ARG A 1 4 ? -10.129 -0.398 2.991 1.00 87.31 4 A 1 ATOM 31 C CG . ARG A 1 4 ? -10.156 0.122 1.568 1.00 79.90 4 A 1 ATOM 32 C CD . ARG A 1 4 ? -10.734 -0.918 0.610 1.00 77.39 4 A 1 ATOM 33 N NE . ARG A 1 4 ? -12.187 -1.044 0.781 1.00 70.11 4 A 1 ATOM 34 C CZ . ARG A 1 4 ? -12.917 -2.015 0.265 1.00 67.16 4 A 1 ATOM 35 N NH1 . ARG A 1 4 ? -12.364 -2.963 -0.463 1.00 62.59 4 A 1 ATOM 36 N NH2 . ARG A 1 4 ? -14.217 -2.047 0.477 1.00 59.69 4 A 1 ATOM 37 N N . HIS A 1 5 ? -7.290 -0.014 4.664 1.00 90.61 5 A 1 ATOM 38 C CA . HIS A 1 5 ? -6.169 0.886 4.934 1.00 91.31 5 A 1 ATOM 39 C C . HIS A 1 5 ? -4.826 0.159 4.820 1.00 92.94 5 A 1 ATOM 40 O O . HIS A 1 5 ? -3.815 0.774 4.481 1.00 90.31 5 A 1 ATOM 41 C CB . HIS A 1 5 ? -6.317 1.489 6.332 1.00 89.63 5 A 1 ATOM 42 C CG . HIS A 1 5 ? -7.603 2.243 6.499 1.00 87.23 5 A 1 ATOM 43 N ND1 . HIS A 1 5 ? -7.703 3.606 6.370 1.00 75.34 5 A 1 ATOM 44 C CD2 . HIS A 1 5 ? -8.851 1.798 6.784 1.00 75.12 5 A 1 ATOM 45 C CE1 . HIS A 1 5 ? -8.969 3.959 6.578 1.00 78.54 5 A 1 ATOM 46 N NE2 . HIS A 1 5 ? -9.693 2.883 6.830 1.00 79.92 5 A 1 ATOM 47 N N . LEU A 1 6 ? -4.819 -1.138 5.105 1.00 92.30 6 A 1 ATOM 48 C CA . LEU A 1 6 ? -3.592 -1.935 5.028 1.00 92.68 6 A 1 ATOM 49 C C . LEU A 1 6 ? -2.943 -1.887 3.636 1.00 94.30 6 A 1 ATOM 50 O O . LEU A 1 6 ? -1.756 -1.575 3.528 1.00 93.39 6 A 1 ATOM 51 C CB . LEU A 1 6 ? -3.893 -3.382 5.433 1.00 91.58 6 A 1 ATOM 52 C CG . LEU A 1 6 ? -3.942 -3.617 6.943 1.00 86.92 6 A 1 ATOM 53 C CD1 . LEU A 1 6 ? -4.614 -4.942 7.259 1.00 82.50 6 A 1 ATOM 54 C CD2 . LEU A 1 6 ? -2.528 -3.606 7.517 1.00 81.00 6 A 1 ATOM 55 N N . PRO A 1 7 ? -3.694 -2.190 2.571 1.00 94.54 7 A 1 ATOM 56 C CA . PRO A 1 7 ? -3.122 -2.151 1.216 1.00 94.66 7 A 1 ATOM 57 C C . PRO A 1 7 ? -2.730 -0.743 0.787 1.00 95.51 7 A 1 ATOM 58 O O . PRO A 1 7 ? -1.748 -0.558 0.066 1.00 94.81 7 A 1 ATOM 59 C CB . PRO A 1 7 ? -4.250 -2.702 0.330 1.00 93.21 7 A 1 ATOM 60 C CG . PRO A 1 7 ? -5.495 -2.500 1.117 1.00 92.24 7 A 1 ATOM 61 C CD . PRO A 1 7 ? -5.095 -2.606 2.563 1.00 93.86 7 A 1 ATOM 62 N N . LEU A 1 8 ? -3.475 0.244 1.237 1.00 94.47 8 A 1 ATOM 63 C CA . LEU A 1 8 ? -3.187 1.638 0.906 1.00 94.91 8 A 1 ATOM 64 C C . LEU A 1 8 ? -1.874 2.090 1.539 1.00 96.01 8 A 1 ATOM 65 O O . LEU A 1 8 ? -1.054 2.743 0.893 1.00 95.84 8 A 1 ATOM 66 C CB . LEU A 1 8 ? -4.344 2.525 1.376 1.00 94.43 8 A 1 ATOM 67 C CG . LEU A 1 8 ? -5.353 2.839 0.274 1.00 87.51 8 A 1 ATOM 68 C CD1 . LEU A 1 8 ? -6.687 3.253 0.871 1.00 85.04 8 A 1 ATOM 69 C CD2 . LEU A 1 8 ? -4.818 3.942 -0.624 1.00 85.15 8 A 1 ATOM 70 N N . ILE A 1 9 ? -1.671 1.730 2.787 1.00 93.88 9 A 1 ATOM 71 C CA . ILE A 1 9 ? -0.454 2.093 3.510 1.00 93.90 9 A 1 ATOM 72 C C . ILE A 1 9 ? 0.762 1.417 2.875 1.00 94.81 9 A 1 ATOM 73 O O . ILE A 1 9 ? 1.835 2.018 2.769 1.00 94.89 9 A 1 ATOM 74 C CB . ILE A 1 9 ? -0.579 1.709 4.997 1.00 93.81 9 A 1 ATOM 75 C CG1 . ILE A 1 9 ? -1.666 2.554 5.675 1.00 91.18 9 A 1 ATOM 76 C CG2 . ILE A 1 9 ? 0.753 1.919 5.724 1.00 90.29 9 A 1 ATOM 77 C CD1 . ILE A 1 9 ? -2.195 1.920 6.956 1.00 83.96 9 A 1 ATOM 78 N N . ALA A 1 10 ? 0.591 0.177 2.447 1.00 96.34 10 A 1 ATOM 79 C CA . ALA A 1 10 ? 1.678 -0.572 1.817 1.00 96.01 10 A 1 ATOM 80 C C . ALA A 1 10 ? 2.117 0.089 0.510 1.00 96.52 10 A 1 ATOM 81 O O . ALA A 1 10 ? 3.313 0.184 0.226 1.00 95.82 10 A 1 ATOM 82 C CB . ALA A 1 10 ? 1.227 -2.007 1.561 1.00 95.25 10 A 1 ATOM 83 N N . ALA A 1 11 ? 1.157 0.549 -0.274 1.00 96.41 11 A 1 ATOM 84 C CA . ALA A 1 11 ? 1.444 1.212 -1.547 1.00 96.43 11 A 1 ATOM 85 C C . ALA A 1 11 ? 2.173 2.536 -1.328 1.00 96.97 11 A 1 ATOM 86 O O . ALA A 1 11 ? 3.125 2.856 -2.043 1.00 96.02 11 A 1 ATOM 87 C CB . ALA A 1 11 ? 0.142 1.443 -2.312 1.00 95.45 11 A 1 ATOM 88 N N . ILE A 1 12 ? 1.739 3.291 -0.341 1.00 95.75 12 A 1 ATOM 89 C CA . ILE A 1 12 ? 2.356 4.579 -0.018 1.00 95.50 12 A 1 ATOM 90 C C . ILE A 1 12 ? 3.780 4.371 0.492 1.00 95.86 12 A 1 ATOM 91 O O . ILE A 1 12 ? 4.689 5.133 0.153 1.00 95.02 12 A 1 ATOM 92 C CB . ILE A 1 12 ? 1.510 5.336 1.024 1.00 95.05 12 A 1 ATOM 93 C CG1 . ILE A 1 12 ? 0.135 5.694 0.449 1.00 91.73 12 A 1 ATOM 94 C CG2 . ILE A 1 12 ? 2.230 6.613 1.475 1.00 90.97 12 A 1 ATOM 95 C CD1 . ILE A 1 12 ? -0.906 5.970 1.521 1.00 85.48 12 A 1 ATOM 96 N N . GLY A 1 13 ? 3.968 3.345 1.299 1.00 96.43 13 A 1 ATOM 97 C CA . GLY A 1 13 ? 5.286 3.044 1.846 1.00 96.16 13 A 1 ATOM 98 C C . GLY A 1 13 ? 6.288 2.689 0.763 1.00 96.65 13 A 1 ATOM 99 O O . GLY A 1 13 ? 7.422 3.167 0.769 1.00 96.17 13 A 1 ATOM 100 N N . LEU A 1 14 ? 5.871 1.856 -0.178 1.00 96.60 14 A 1 ATOM 101 C CA . LEU A 1 14 ? 6.732 1.442 -1.287 1.00 96.41 14 A 1 ATOM 102 C C . LEU A 1 14 ? 7.082 2.623 -2.185 1.00 96.72 14 A 1 ATOM 103 O O . LEU A 1 14 ? 8.243 2.804 -2.563 1.00 95.96 14 A 1 ATOM 104 C CB . LEU A 1 14 ? 6.029 0.355 -2.100 1.00 95.83 14 A 1 ATOM 105 C CG . LEU A 1 14 ? 6.104 -1.033 -1.464 1.00 90.71 14 A 1 ATOM 106 C CD1 . LEU A 1 14 ? 5.023 -1.939 -2.027 1.00 87.92 14 A 1 ATOM 107 C CD2 . LEU A 1 14 ? 7.481 -1.644 -1.711 1.00 88.30 14 A 1 ATOM 108 N N . PHE A 1 15 ? 6.088 3.422 -2.517 1.00 96.58 15 A 1 ATOM 109 C CA . PHE A 1 15 ? 6.295 4.591 -3.368 1.00 96.24 15 A 1 ATOM 110 C C . PHE A 1 15 ? 7.191 5.620 -2.676 1.00 96.70 15 A 1 ATOM 111 O O . PHE A 1 15 ? 8.062 6.222 -3.309 1.00 95.89 15 A 1 ATOM 112 C CB . PHE A 1 15 ? 4.941 5.214 -3.710 1.00 95.70 15 A 1 ATOM 113 C CG . PHE A 1 15 ? 5.011 6.131 -4.902 1.00 93.29 15 A 1 ATOM 114 C CD1 . PHE A 1 15 ? 4.987 5.613 -6.191 1.00 90.77 15 A 1 ATOM 115 C CD2 . PHE A 1 15 ? 5.099 7.505 -4.729 1.00 91.23 15 A 1 ATOM 116 C CE1 . PHE A 1 15 ? 5.053 6.457 -7.292 1.00 89.99 15 A 1 ATOM 117 C CE2 . PHE A 1 15 ? 5.170 8.354 -5.830 1.00 89.72 15 A 1 ATOM 118 C CZ . PHE A 1 15 ? 5.147 7.828 -7.111 1.00 90.37 15 A 1 ATOM 119 N N . SER A 1 16 ? 6.987 5.803 -1.393 1.00 96.88 16 A 1 ATOM 120 C CA . SER A 1 16 ? 7.780 6.753 -0.613 1.00 96.58 16 A 1 ATOM 121 C C . SER A 1 16 ? 9.235 6.300 -0.514 1.00 96.92 16 A 1 ATOM 122 O O . SER A 1 16 ? 10.152 7.117 -0.560 1.00 95.87 16 A 1 ATOM 123 C CB . SER A 1 16 ? 7.187 6.902 0.785 1.00 95.72 16 A 1 ATOM 124 O OG . SER A 1 16 ? 7.638 8.084 1.391 1.00 85.92 16 A 1 ATOM 125 N N . THR A 1 17 ? 9.447 5.001 -0.392 1.00 96.52 17 A 1 ATOM 126 C CA . THR A 1 17 ? 10.797 4.437 -0.294 1.00 96.42 17 A 1 ATOM 127 C C . THR A 1 17 ? 11.580 4.680 -1.582 1.00 96.82 17 A 1 ATOM 128 O O . THR A 1 17 ? 12.767 5.010 -1.541 1.00 95.81 17 A 1 ATOM 129 C CB . THR A 1 17 ? 10.727 2.931 -0.015 1.00 95.54 17 A 1 ATOM 130 O OG1 . THR A 1 17 ? 9.954 2.705 1.159 1.00 89.16 17 A 1 ATOM 131 C CG2 . THR A 1 17 ? 12.112 2.350 0.206 1.00 88.00 17 A 1 ATOM 132 N N . VAL A 1 18 ? 10.930 4.532 -2.721 1.00 97.57 18 A 1 ATOM 133 C CA . VAL A 1 18 ? 11.571 4.746 -4.020 1.00 97.41 18 A 1 ATOM 134 C C . VAL A 1 18 ? 11.900 6.225 -4.223 1.00 97.59 18 A 1 ATOM 135 O O . VAL A 1 18 ? 12.937 6.564 -4.802 1.00 96.68 18 A 1 ATOM 136 C CB . VAL A 1 18 ? 10.672 4.240 -5.159 1.00 96.65 18 A 1 ATOM 137 C CG1 . VAL A 1 18 ? 11.317 4.482 -6.515 1.00 92.54 18 A 1 ATOM 138 C CG2 . VAL A 1 18 ? 10.378 2.758 -4.989 1.00 92.62 18 A 1 ATOM 139 N N . THR A 1 19 ? 11.030 7.087 -3.758 1.00 95.39 19 A 1 ATOM 140 C CA . THR A 1 19 ? 11.221 8.530 -3.899 1.00 95.02 19 A 1 ATOM 141 C C . THR A 1 19 ? 12.314 9.044 -2.964 1.00 95.39 19 A 1 ATOM 142 O O . THR A 1 19 ? 13.190 9.802 -3.386 1.00 94.31 19 A 1 ATOM 143 C CB . THR A 1 19 ? 9.908 9.269 -3.619 1.00 93.97 19 A 1 ATOM 144 O OG1 . THR A 1 19 ? 8.872 8.717 -4.424 1.00 87.46 19 A 1 ATOM 145 C CG2 . THR A 1 19 ? 10.029 10.746 -3.948 1.00 85.72 19 A 1 ATOM 146 N N . LEU A 1 20 ? 12.260 8.633 -1.708 1.00 95.02 20 A 1 ATOM 147 C CA . LEU A 1 20 ? 13.239 9.063 -0.712 1.00 94.25 20 A 1 ATOM 148 C C . LEU A 1 20 ? 14.540 8.274 -0.823 1.00 94.46 20 A 1 ATOM 149 O O . LEU A 1 20 ? 15.627 8.852 -0.845 1.00 93.02 20 A 1 ATOM 150 C CB . LEU A 1 20 ? 12.650 8.919 0.691 1.00 93.37 20 A 1 ATOM 151 C CG . LEU A 1 20 ? 11.936 10.171 1.196 1.00 87.99 20 A 1 ATOM 152 C CD1 . LEU A 1 20 ? 10.537 10.287 0.605 1.00 82.89 20 A 1 ATOM 153 C CD2 . LEU A 1 20 ? 11.856 10.152 2.716 1.00 80.53 20 A 1 ATOM 154 N N . ALA A 1 21 ? 14.424 6.951 -0.885 1.00 91.99 21 A 1 ATOM 155 C CA . ALA A 1 21 ? 15.585 6.068 -0.958 1.00 90.03 21 A 1 ATOM 156 C C . ALA A 1 21 ? 15.521 5.189 -2.206 1.00 87.52 21 A 1 ATOM 157 O O . ALA A 1 21 ? 14.629 4.332 -2.290 1.00 83.52 21 A 1 ATOM 158 C CB . ALA A 1 21 ? 15.667 5.209 0.293 1.00 85.70 21 A 1 ATOM 159 O OXT . ALA A 1 21 ? 16.352 5.349 -3.096 1.00 77.57 21 A 1 #