# 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_spkb24703 # _entry.id spkb24703 # 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" "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" "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 TRP 2 1 n PHE 3 1 n VAL 4 1 n PHE 5 1 n ARG 6 1 n PRO 7 1 n ALA 8 1 n ALA 9 1 n ILE 10 1 n PRO 11 1 n ALA 12 1 n LEU 13 1 n LEU 14 1 n LEU 15 1 n THR 16 1 n LEU 17 1 n GLY 18 1 n VAL 19 1 n SER 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 @ 2025-07-08 16:24:33)" _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 86.40 _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 79.40 1 1 A TRP 2 2 79.48 1 2 A PHE 3 2 80.11 1 3 A VAL 4 2 86.67 1 4 A PHE 5 2 82.01 1 5 A ARG 6 2 80.61 1 6 A PRO 7 2 89.27 1 7 A ALA 8 2 90.87 1 8 A ALA 9 2 92.64 1 9 A ILE 10 2 89.45 1 10 A PRO 11 2 92.65 1 11 A ALA 12 2 93.81 1 12 A LEU 13 2 91.04 1 13 A LEU 14 2 92.64 1 14 A LEU 15 2 91.82 1 15 A THR 16 2 90.72 1 16 A LEU 17 2 90.13 1 17 A GLY 18 2 93.16 1 18 A VAL 19 2 88.65 1 19 A SER 20 2 83.11 1 20 A ALA 21 2 76.42 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 TRP . 2 A 2 A 3 1 n PHE . 3 A 3 A 4 1 n VAL . 4 A 4 A 5 1 n PHE . 5 A 5 A 6 1 n ARG . 6 A 6 A 7 1 n PRO . 7 A 7 A 8 1 n ALA . 8 A 8 A 9 1 n ALA . 9 A 9 A 10 1 n ILE . 10 A 10 A 11 1 n PRO . 11 A 11 A 12 1 n ALA . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n THR . 16 A 16 A 17 1 n LEU . 17 A 17 A 18 1 n GLY . 18 A 18 A 19 1 n VAL . 19 A 19 A 20 1 n SER . 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 ? -8.472 1.156 14.553 1.00 84.89 1 A 1 ATOM 2 C CA . MET A 1 1 ? -7.360 0.369 13.973 1.00 86.07 1 A 1 ATOM 3 C C . MET A 1 1 ? -6.010 1.006 14.298 1.00 86.54 1 A 1 ATOM 4 O O . MET A 1 1 ? -5.789 2.169 13.994 1.00 82.48 1 A 1 ATOM 5 C CB . MET A 1 1 ? -7.529 0.290 12.462 1.00 80.61 1 A 1 ATOM 6 C CG . MET A 1 1 ? -8.442 -0.863 12.065 1.00 76.23 1 A 1 ATOM 7 S SD . MET A 1 1 ? -8.695 -0.919 10.286 1.00 72.93 1 A 1 ATOM 8 C CE . MET A 1 1 ? -9.778 -2.340 10.171 1.00 65.45 1 A 1 ATOM 9 N N . TRP A 1 2 ? -5.147 0.256 14.927 1.00 86.10 2 A 1 ATOM 10 C CA . TRP A 1 2 ? -3.820 0.748 15.291 1.00 86.86 2 A 1 ATOM 11 C C . TRP A 1 2 ? -2.741 0.137 14.405 1.00 88.69 2 A 1 ATOM 12 O O . TRP A 1 2 ? -1.975 0.850 13.772 1.00 85.78 2 A 1 ATOM 13 C CB . TRP A 1 2 ? -3.556 0.401 16.758 1.00 84.01 2 A 1 ATOM 14 C CG . TRP A 1 2 ? -4.111 1.431 17.684 1.00 79.50 2 A 1 ATOM 15 C CD1 . TRP A 1 2 ? -3.497 2.589 18.054 1.00 76.03 2 A 1 ATOM 16 C CD2 . TRP A 1 2 ? -5.375 1.415 18.363 1.00 80.38 2 A 1 ATOM 17 N NE1 . TRP A 1 2 ? -4.300 3.290 18.919 1.00 73.84 2 A 1 ATOM 18 C CE2 . TRP A 1 2 ? -5.465 2.598 19.128 1.00 78.22 2 A 1 ATOM 19 C CE3 . TRP A 1 2 ? -6.438 0.509 18.392 1.00 75.00 2 A 1 ATOM 20 C CZ2 . TRP A 1 2 ? -6.587 2.885 19.910 1.00 76.32 2 A 1 ATOM 21 C CZ3 . TRP A 1 2 ? -7.550 0.796 19.171 1.00 70.66 2 A 1 ATOM 22 C CH2 . TRP A 1 2 ? -7.623 1.971 19.922 1.00 71.30 2 A 1 ATOM 23 N N . PHE A 1 3 ? -2.708 -1.167 14.352 1.00 86.72 3 A 1 ATOM 24 C CA . PHE A 1 3 ? -1.721 -1.869 13.532 1.00 86.49 3 A 1 ATOM 25 C C . PHE A 1 3 ? -2.366 -2.439 12.274 1.00 88.88 3 A 1 ATOM 26 O O . PHE A 1 3 ? -2.767 -3.601 12.236 1.00 86.30 3 A 1 ATOM 27 C CB . PHE A 1 3 ? -1.084 -2.983 14.356 1.00 83.53 3 A 1 ATOM 28 C CG . PHE A 1 3 ? -0.042 -2.473 15.307 1.00 79.62 3 A 1 ATOM 29 C CD1 . PHE A 1 3 ? 1.248 -2.224 14.866 1.00 76.17 3 A 1 ATOM 30 C CD2 . PHE A 1 3 ? -0.353 -2.238 16.638 1.00 75.95 3 A 1 ATOM 31 C CE1 . PHE A 1 3 ? 2.211 -1.751 15.748 1.00 72.17 3 A 1 ATOM 32 C CE2 . PHE A 1 3 ? 0.608 -1.760 17.517 1.00 73.53 3 A 1 ATOM 33 C CZ . PHE A 1 3 ? 1.896 -1.515 17.075 1.00 71.90 3 A 1 ATOM 34 N N . VAL A 1 4 ? -2.457 -1.620 11.259 1.00 89.52 4 A 1 ATOM 35 C CA . VAL A 1 4 ? -3.060 -2.044 9.990 1.00 89.60 4 A 1 ATOM 36 C C . VAL A 1 4 ? -2.046 -2.823 9.142 1.00 89.96 4 A 1 ATOM 37 O O . VAL A 1 4 ? -2.387 -3.402 8.116 1.00 88.10 4 A 1 ATOM 38 C CB . VAL A 1 4 ? -3.581 -0.826 9.202 1.00 87.34 4 A 1 ATOM 39 C CG1 . VAL A 1 4 ? -4.436 -1.269 8.029 1.00 80.89 4 A 1 ATOM 40 C CG2 . VAL A 1 4 ? -4.385 0.088 10.109 1.00 81.25 4 A 1 ATOM 41 N N . PHE A 1 5 ? -0.822 -2.845 9.578 1.00 88.34 5 A 1 ATOM 42 C CA . PHE A 1 5 ? 0.244 -3.549 8.859 1.00 87.20 5 A 1 ATOM 43 C C . PHE A 1 5 ? 0.471 -2.922 7.486 1.00 89.06 5 A 1 ATOM 44 O O . PHE A 1 5 ? 0.570 -3.615 6.473 1.00 86.14 5 A 1 ATOM 45 C CB . PHE A 1 5 ? -0.119 -5.033 8.729 1.00 84.87 5 A 1 ATOM 46 C CG . PHE A 1 5 ? 0.996 -5.930 9.198 1.00 81.70 5 A 1 ATOM 47 C CD1 . PHE A 1 5 ? 1.579 -5.744 10.439 1.00 79.40 5 A 1 ATOM 48 C CD2 . PHE A 1 5 ? 1.450 -6.964 8.393 1.00 78.21 5 A 1 ATOM 49 C CE1 . PHE A 1 5 ? 2.605 -6.570 10.865 1.00 75.92 5 A 1 ATOM 50 C CE2 . PHE A 1 5 ? 2.468 -7.795 8.823 1.00 76.10 5 A 1 ATOM 51 C CZ . PHE A 1 5 ? 3.053 -7.598 10.062 1.00 75.22 5 A 1 ATOM 52 N N . ARG A 1 6 ? 0.547 -1.602 7.466 1.00 87.28 6 A 1 ATOM 53 C CA . ARG A 1 6 ? 0.751 -0.870 6.206 1.00 88.47 6 A 1 ATOM 54 C C . ARG A 1 6 ? 1.917 0.103 6.365 1.00 89.63 6 A 1 ATOM 55 O O . ARG A 1 6 ? 1.713 1.258 6.740 1.00 89.35 6 A 1 ATOM 56 C CB . ARG A 1 6 ? -0.536 -0.126 5.836 1.00 85.82 6 A 1 ATOM 57 C CG . ARG A 1 6 ? -1.582 -1.063 5.251 1.00 80.24 6 A 1 ATOM 58 C CD . ARG A 1 6 ? -1.383 -1.189 3.754 1.00 79.42 6 A 1 ATOM 59 N NE . ARG A 1 6 ? -2.407 -2.035 3.129 1.00 75.36 6 A 1 ATOM 60 C CZ . ARG A 1 6 ? -3.623 -1.604 2.841 1.00 73.10 6 A 1 ATOM 61 N NH1 . ARG A 1 6 ? -4.022 -0.391 3.156 1.00 68.89 6 A 1 ATOM 62 N NH2 . ARG A 1 6 ? -4.462 -2.413 2.222 1.00 69.17 6 A 1 ATOM 63 N N . PRO A 1 7 ? 3.114 -0.337 6.076 1.00 90.46 7 A 1 ATOM 64 C CA . PRO A 1 7 ? 4.311 0.502 6.202 1.00 90.67 7 A 1 ATOM 65 C C . PRO A 1 7 ? 4.431 1.532 5.081 1.00 91.94 7 A 1 ATOM 66 O O . PRO A 1 7 ? 5.471 2.166 4.918 1.00 90.84 7 A 1 ATOM 67 C CB . PRO A 1 7 ? 5.456 -0.514 6.135 1.00 87.75 7 A 1 ATOM 68 C CG . PRO A 1 7 ? 4.911 -1.633 5.318 1.00 85.19 7 A 1 ATOM 69 C CD . PRO A 1 7 ? 3.428 -1.688 5.632 1.00 88.02 7 A 1 ATOM 70 N N . ALA A 1 8 ? 3.361 1.697 4.314 1.00 90.93 8 A 1 ATOM 71 C CA . ALA A 1 8 ? 3.359 2.653 3.200 1.00 90.96 8 A 1 ATOM 72 C C . ALA A 1 8 ? 4.419 2.298 2.157 1.00 92.54 8 A 1 ATOM 73 O O . ALA A 1 8 ? 4.932 3.171 1.455 1.00 91.19 8 A 1 ATOM 74 C CB . ALA A 1 8 ? 3.587 4.062 3.736 1.00 88.74 8 A 1 ATOM 75 N N . ALA A 1 9 ? 4.724 1.036 2.052 1.00 92.74 9 A 1 ATOM 76 C CA . ALA A 1 9 ? 5.736 0.573 1.098 1.00 92.74 9 A 1 ATOM 77 C C . ALA A 1 9 ? 5.112 0.221 -0.248 1.00 93.67 9 A 1 ATOM 78 O O . ALA A 1 9 ? 5.723 0.407 -1.295 1.00 92.44 9 A 1 ATOM 79 C CB . ALA A 1 9 ? 6.453 -0.639 1.672 1.00 91.59 9 A 1 ATOM 80 N N . ILE A 1 10 ? 3.894 -0.288 -0.218 1.00 91.64 10 A 1 ATOM 81 C CA . ILE A 1 10 ? 3.184 -0.662 -1.444 1.00 91.15 10 A 1 ATOM 82 C C . ILE A 1 10 ? 2.620 0.568 -2.157 1.00 92.37 10 A 1 ATOM 83 O O . ILE A 1 10 ? 2.809 0.726 -3.366 1.00 92.57 10 A 1 ATOM 84 C CB . ILE A 1 10 ? 2.061 -1.661 -1.117 1.00 90.87 10 A 1 ATOM 85 C CG1 . ILE A 1 10 ? 2.615 -2.905 -0.432 1.00 88.14 10 A 1 ATOM 86 C CG2 . ILE A 1 10 ? 1.341 -2.063 -2.410 1.00 87.22 10 A 1 ATOM 87 C CD1 . ILE A 1 10 ? 1.708 -3.383 0.681 1.00 81.67 10 A 1 ATOM 88 N N . PRO A 1 11 ? 1.904 1.438 -1.435 1.00 93.58 11 A 1 ATOM 89 C CA . PRO A 1 11 ? 1.331 2.637 -2.061 1.00 93.27 11 A 1 ATOM 90 C C . PRO A 1 11 ? 2.400 3.612 -2.523 1.00 94.20 11 A 1 ATOM 91 O O . PRO A 1 11 ? 2.212 4.327 -3.502 1.00 93.47 11 A 1 ATOM 92 C CB . PRO A 1 11 ? 0.474 3.248 -0.946 1.00 91.65 11 A 1 ATOM 93 C CG . PRO A 1 11 ? 1.077 2.739 0.314 1.00 90.13 11 A 1 ATOM 94 C CD . PRO A 1 11 ? 1.585 1.357 -0.014 1.00 92.24 11 A 1 ATOM 95 N N . ALA A 1 12 ? 3.500 3.655 -1.831 1.00 93.63 12 A 1 ATOM 96 C CA . ALA A 1 12 ? 4.596 4.554 -2.188 1.00 93.70 12 A 1 ATOM 97 C C . ALA A 1 12 ? 5.195 4.177 -3.537 1.00 94.97 12 A 1 ATOM 98 O O . ALA A 1 12 ? 5.654 5.038 -4.282 1.00 93.85 12 A 1 ATOM 99 C CB . ALA A 1 12 ? 5.669 4.505 -1.111 1.00 92.92 12 A 1 ATOM 100 N N . LEU A 1 13 ? 5.179 2.894 -3.848 1.00 93.55 13 A 1 ATOM 101 C CA . LEU A 1 13 ? 5.724 2.409 -5.117 1.00 93.02 13 A 1 ATOM 102 C C . LEU A 1 13 ? 4.888 2.913 -6.287 1.00 94.23 13 A 1 ATOM 103 O O . LEU A 1 13 ? 5.420 3.388 -7.284 1.00 93.94 13 A 1 ATOM 104 C CB . LEU A 1 13 ? 5.746 0.878 -5.119 1.00 92.85 13 A 1 ATOM 105 C CG . LEU A 1 13 ? 6.963 0.297 -5.833 1.00 88.40 13 A 1 ATOM 106 C CD1 . LEU A 1 13 ? 8.096 0.079 -4.840 1.00 86.13 13 A 1 ATOM 107 C CD2 . LEU A 1 13 ? 6.603 -1.009 -6.508 1.00 86.20 13 A 1 ATOM 108 N N . LEU A 1 14 ? 3.574 2.817 -6.152 1.00 94.00 14 A 1 ATOM 109 C CA . LEU A 1 14 ? 2.662 3.267 -7.204 1.00 93.71 14 A 1 ATOM 110 C C . LEU A 1 14 ? 2.581 4.786 -7.242 1.00 94.51 14 A 1 ATOM 111 O O . LEU A 1 14 ? 2.418 5.379 -8.306 1.00 94.51 14 A 1 ATOM 112 C CB . LEU A 1 14 ? 1.277 2.671 -6.952 1.00 93.44 14 A 1 ATOM 113 C CG . LEU A 1 14 ? 1.204 1.178 -7.261 1.00 91.35 14 A 1 ATOM 114 C CD1 . LEU A 1 14 ? 0.247 0.488 -6.308 1.00 89.90 14 A 1 ATOM 115 C CD2 . LEU A 1 14 ? 0.755 0.973 -8.701 1.00 89.69 14 A 1 ATOM 116 N N . LEU A 1 15 ? 2.692 5.407 -6.098 1.00 94.16 15 A 1 ATOM 117 C CA . LEU A 1 15 ? 2.633 6.867 -6.001 1.00 93.47 15 A 1 ATOM 118 C C . LEU A 1 15 ? 3.807 7.503 -6.731 1.00 94.17 15 A 1 ATOM 119 O O . LEU A 1 15 ? 3.653 8.513 -7.412 1.00 93.36 15 A 1 ATOM 120 C CB . LEU A 1 15 ? 2.645 7.269 -4.527 1.00 93.21 15 A 1 ATOM 121 C CG . LEU A 1 15 ? 1.355 7.948 -4.083 1.00 90.21 15 A 1 ATOM 122 C CD1 . LEU A 1 15 ? 0.917 7.424 -2.726 1.00 88.00 15 A 1 ATOM 123 C CD2 . LEU A 1 15 ? 1.555 9.449 -4.027 1.00 87.99 15 A 1 ATOM 124 N N . THR A 1 16 ? 4.954 6.922 -6.604 1.00 93.72 16 A 1 ATOM 125 C CA . THR A 1 16 ? 6.161 7.438 -7.253 1.00 92.47 16 A 1 ATOM 126 C C . THR A 1 16 ? 6.069 7.293 -8.770 1.00 92.88 16 A 1 ATOM 127 O O . THR A 1 16 ? 6.641 8.092 -9.511 1.00 91.08 16 A 1 ATOM 128 C CB . THR A 1 16 ? 7.389 6.678 -6.735 1.00 91.26 16 A 1 ATOM 129 O OG1 . THR A 1 16 ? 7.380 6.676 -5.313 1.00 87.57 16 A 1 ATOM 130 C CG2 . THR A 1 16 ? 8.679 7.332 -7.194 1.00 86.07 16 A 1 ATOM 131 N N . LEU A 1 17 ? 5.348 6.282 -9.216 1.00 93.47 17 A 1 ATOM 132 C CA . LEU A 1 17 ? 5.211 6.032 -10.651 1.00 92.50 17 A 1 ATOM 133 C C . LEU A 1 17 ? 4.248 7.016 -11.301 1.00 93.27 17 A 1 ATOM 134 O O . LEU A 1 17 ? 4.478 7.453 -12.425 1.00 91.22 17 A 1 ATOM 135 C CB . LEU A 1 17 ? 4.734 4.594 -10.867 1.00 91.38 17 A 1 ATOM 136 C CG . LEU A 1 17 ? 5.862 3.571 -10.734 1.00 89.29 17 A 1 ATOM 137 C CD1 . LEU A 1 17 ? 5.316 2.220 -10.309 1.00 85.70 17 A 1 ATOM 138 C CD2 . LEU A 1 17 ? 6.595 3.443 -12.063 1.00 84.19 17 A 1 ATOM 139 N N . GLY A 1 18 ? 3.178 7.363 -10.597 1.00 93.41 18 A 1 ATOM 140 C CA . GLY A 1 18 ? 2.191 8.296 -11.158 1.00 92.80 18 A 1 ATOM 141 C C . GLY A 1 18 ? 1.388 9.030 -10.102 1.00 93.83 18 A 1 ATOM 142 O O . GLY A 1 18 ? 0.182 9.089 -10.183 1.00 92.61 18 A 1 ATOM 143 N N . VAL A 1 19 ? 2.045 9.604 -9.144 1.00 92.20 19 A 1 ATOM 144 C CA . VAL A 1 19 ? 1.382 10.383 -8.081 1.00 91.24 19 A 1 ATOM 145 C C . VAL A 1 19 ? -0.032 9.890 -7.763 1.00 91.57 19 A 1 ATOM 146 O O . VAL A 1 19 ? -0.236 9.106 -6.846 1.00 88.92 19 A 1 ATOM 147 C CB . VAL A 1 19 ? 1.323 11.868 -8.476 1.00 88.92 19 A 1 ATOM 148 C CG1 . VAL A 1 19 ? 0.827 12.693 -7.301 1.00 83.35 19 A 1 ATOM 149 C CG2 . VAL A 1 19 ? 2.693 12.352 -8.915 1.00 84.34 19 A 1 ATOM 150 N N . SER A 1 20 ? -1.010 10.369 -8.525 1.00 87.62 20 A 1 ATOM 151 C CA . SER A 1 20 ? -2.408 9.984 -8.310 1.00 86.17 20 A 1 ATOM 152 C C . SER A 1 20 ? -2.725 8.640 -8.952 1.00 86.21 20 A 1 ATOM 153 O O . SER A 1 20 ? -2.568 8.467 -10.154 1.00 82.58 20 A 1 ATOM 154 C CB . SER A 1 20 ? -3.322 11.054 -8.891 1.00 82.65 20 A 1 ATOM 155 O OG . SER A 1 20 ? -3.350 12.179 -8.043 1.00 73.44 20 A 1 ATOM 156 N N . ALA A 1 21 ? -3.189 7.707 -8.138 1.00 83.16 21 A 1 ATOM 157 C CA . ALA A 1 21 ? -3.527 6.377 -8.639 1.00 80.28 21 A 1 ATOM 158 C C . ALA A 1 21 ? -4.923 6.364 -9.261 1.00 77.86 21 A 1 ATOM 159 O O . ALA A 1 21 ? -5.818 7.035 -8.735 1.00 73.40 21 A 1 ATOM 160 C CB . ALA A 1 21 ? -3.445 5.362 -7.502 1.00 74.15 21 A 1 ATOM 161 O OXT . ALA A 1 21 ? -5.122 5.655 -10.259 1.00 69.66 21 A 1 #