# 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_spkb34531 # _entry.id spkb34531 # 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" "C5 H10 N2 O3" 146.144 GLN y GLUTAMINE C(CC(=O)N)[C@@H](C(=O)O)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" "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 GLN 2 1 n PHE 3 1 n THR 4 1 n LYS 5 1 n TRP 6 1 n PHE 7 1 n ILE 8 1 n ALA 9 1 n LEU 10 1 n PRO 11 1 n LEU 12 1 n ALA 13 1 n VAL 14 1 n THR 15 1 n ALA 16 1 n LEU 17 1 n SER 18 1 n GLY 19 # _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 13:12:15)" _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 93.71 _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 84.22 1 1 A GLN 2 2 87.10 1 2 A PHE 3 2 91.71 1 3 A THR 4 2 95.22 1 4 A LYS 5 2 91.52 1 5 A TRP 6 2 92.90 1 6 A PHE 7 2 93.93 1 7 A ILE 8 2 95.30 1 8 A ALA 9 2 97.68 1 9 A LEU 10 2 94.77 1 10 A PRO 11 2 97.50 1 11 A LEU 12 2 95.79 1 12 A ALA 13 2 97.70 1 13 A VAL 14 2 97.70 1 14 A THR 15 2 96.75 1 15 A ALA 16 2 98.03 1 16 A LEU 17 2 95.28 1 17 A SER 18 2 95.52 1 18 A GLY 19 2 89.05 1 19 # _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 GLN . 2 A 2 A 3 1 n PHE . 3 A 3 A 4 1 n THR . 4 A 4 A 5 1 n LYS . 5 A 5 A 6 1 n TRP . 6 A 6 A 7 1 n PHE . 7 A 7 A 8 1 n ILE . 8 A 8 A 9 1 n ALA . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n PRO . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n ALA . 13 A 13 A 14 1 n VAL . 14 A 14 A 15 1 n THR . 15 A 15 A 16 1 n ALA . 16 A 16 A 17 1 n LEU . 17 A 17 A 18 1 n SER . 18 A 18 A 19 1 n GLY . 19 A 19 # _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 ? -11.754 0.123 7.699 1.00 91.53 1 A 1 ATOM 2 C CA . MET A 1 1 ? -10.632 -0.348 6.859 1.00 92.11 1 A 1 ATOM 3 C C . MET A 1 1 ? -11.140 -0.661 5.450 1.00 92.54 1 A 1 ATOM 4 O O . MET A 1 1 ? -11.500 -1.797 5.144 1.00 89.55 1 A 1 ATOM 5 C CB . MET A 1 1 ? -9.996 -1.597 7.464 1.00 86.80 1 A 1 ATOM 6 C CG . MET A 1 1 ? -9.592 -1.392 8.922 1.00 81.26 1 A 1 ATOM 7 S SD . MET A 1 1 ? -11.018 -1.411 10.016 1.00 74.54 1 A 1 ATOM 8 C CE . MET A 1 1 ? -10.213 -1.236 11.601 1.00 65.39 1 A 1 ATOM 9 N N . GLN A 1 2 ? -11.173 0.329 4.609 1.00 94.03 2 A 1 ATOM 10 C CA . GLN A 1 2 ? -11.657 0.162 3.245 1.00 94.73 2 A 1 ATOM 11 C C . GLN A 1 2 ? -10.657 -0.616 2.388 1.00 95.36 2 A 1 ATOM 12 O O . GLN A 1 2 ? -9.454 -0.595 2.637 1.00 93.37 2 A 1 ATOM 13 C CB . GLN A 1 2 ? -11.926 1.533 2.627 1.00 92.47 2 A 1 ATOM 14 C CG . GLN A 1 2 ? -10.714 2.465 2.650 1.00 84.86 2 A 1 ATOM 15 C CD . GLN A 1 2 ? -10.690 3.358 3.879 1.00 81.71 2 A 1 ATOM 16 O OE1 . GLN A 1 2 ? -11.069 2.961 4.969 1.00 75.07 2 A 1 ATOM 17 N NE2 . GLN A 1 2 ? -10.237 4.588 3.720 1.00 72.29 2 A 1 ATOM 18 N N . PHE A 1 3 ? -11.165 -1.291 1.370 1.00 94.16 3 A 1 ATOM 19 C CA . PHE A 1 3 ? -10.336 -2.095 0.467 1.00 95.04 3 A 1 ATOM 20 C C . PHE A 1 3 ? -9.427 -1.202 -0.374 1.00 96.22 3 A 1 ATOM 21 O O . PHE A 1 3 ? -8.272 -1.543 -0.633 1.00 95.52 3 A 1 ATOM 22 C CB . PHE A 1 3 ? -11.244 -2.927 -0.439 1.00 94.07 3 A 1 ATOM 23 C CG . PHE A 1 3 ? -10.544 -4.139 -0.993 1.00 91.98 3 A 1 ATOM 24 C CD1 . PHE A 1 3 ? -9.812 -4.052 -2.168 1.00 88.38 3 A 1 ATOM 25 C CD2 . PHE A 1 3 ? -10.625 -5.357 -0.338 1.00 89.10 3 A 1 ATOM 26 C CE1 . PHE A 1 3 ? -9.160 -5.170 -2.682 1.00 88.02 3 A 1 ATOM 27 C CE2 . PHE A 1 3 ? -9.979 -6.479 -0.849 1.00 88.64 3 A 1 ATOM 28 C CZ . PHE A 1 3 ? -9.245 -6.385 -2.023 1.00 87.64 3 A 1 ATOM 29 N N . THR A 1 4 ? -9.940 -0.061 -0.787 1.00 96.71 4 A 1 ATOM 30 C CA . THR A 1 4 ? -9.178 0.890 -1.604 1.00 97.05 4 A 1 ATOM 31 C C . THR A 1 4 ? -7.955 1.399 -0.850 1.00 97.31 4 A 1 ATOM 32 O O . THR A 1 4 ? -6.888 1.579 -1.432 1.00 96.87 4 A 1 ATOM 33 C CB . THR A 1 4 ? -10.068 2.076 -1.998 1.00 96.63 4 A 1 ATOM 34 O OG1 . THR A 1 4 ? -11.262 1.600 -2.604 1.00 92.14 4 A 1 ATOM 35 C CG2 . THR A 1 4 ? -9.348 2.984 -2.983 1.00 89.82 4 A 1 ATOM 36 N N . LYS A 1 5 ? -8.114 1.645 0.426 1.00 96.80 5 A 1 ATOM 37 C CA . LYS A 1 5 ? -7.023 2.149 1.258 1.00 97.02 5 A 1 ATOM 38 C C . LYS A 1 5 ? -5.859 1.157 1.264 1.00 97.27 5 A 1 ATOM 39 O O . LYS A 1 5 ? -4.694 1.552 1.204 1.00 97.28 5 A 1 ATOM 40 C CB . LYS A 1 5 ? -7.533 2.391 2.679 1.00 96.62 5 A 1 ATOM 41 C CG . LYS A 1 5 ? -6.757 3.491 3.397 1.00 91.71 5 A 1 ATOM 42 C CD . LYS A 1 5 ? -5.410 3.001 3.897 1.00 88.74 5 A 1 ATOM 43 C CE . LYS A 1 5 ? -4.550 4.147 4.394 1.00 82.86 5 A 1 ATOM 44 N NZ . LYS A 1 5 ? -3.184 3.680 4.745 1.00 75.38 5 A 1 ATOM 45 N N . TRP A 1 6 ? -6.169 -0.136 1.326 1.00 96.05 6 A 1 ATOM 46 C CA . TRP A 1 6 ? -5.146 -1.180 1.344 1.00 96.17 6 A 1 ATOM 47 C C . TRP A 1 6 ? -4.377 -1.206 0.027 1.00 96.88 6 A 1 ATOM 48 O O . TRP A 1 6 ? -3.161 -1.360 0.013 1.00 96.34 6 A 1 ATOM 49 C CB . TRP A 1 6 ? -5.804 -2.539 1.599 1.00 95.90 6 A 1 ATOM 50 C CG . TRP A 1 6 ? -5.027 -3.372 2.559 1.00 94.48 6 A 1 ATOM 51 C CD1 . TRP A 1 6 ? -5.362 -3.654 3.849 1.00 91.06 6 A 1 ATOM 52 C CD2 . TRP A 1 6 ? -3.774 -4.046 2.324 1.00 93.56 6 A 1 ATOM 53 N NE1 . TRP A 1 6 ? -4.400 -4.453 4.420 1.00 90.34 6 A 1 ATOM 54 C CE2 . TRP A 1 6 ? -3.409 -4.711 3.514 1.00 93.35 6 A 1 ATOM 55 C CE3 . TRP A 1 6 ? -2.927 -4.153 1.224 1.00 90.53 6 A 1 ATOM 56 C CZ2 . TRP A 1 6 ? -2.235 -5.464 3.610 1.00 90.62 6 A 1 ATOM 57 C CZ3 . TRP A 1 6 ? -1.756 -4.907 1.324 1.00 87.37 6 A 1 ATOM 58 C CH2 . TRP A 1 6 ? -1.422 -5.549 2.504 1.00 87.88 6 A 1 ATOM 59 N N . PHE A 1 7 ? -5.084 -1.023 -1.073 1.00 96.34 7 A 1 ATOM 60 C CA . PHE A 1 7 ? -4.467 -1.027 -2.400 1.00 96.41 7 A 1 ATOM 61 C C . PHE A 1 7 ? -3.558 0.181 -2.605 1.00 97.07 7 A 1 ATOM 62 O O . PHE A 1 7 ? -2.620 0.128 -3.397 1.00 96.79 7 A 1 ATOM 63 C CB . PHE A 1 7 ? -5.551 -1.050 -3.474 1.00 95.99 7 A 1 ATOM 64 C CG . PHE A 1 7 ? -5.730 -2.416 -4.085 1.00 94.20 7 A 1 ATOM 65 C CD1 . PHE A 1 7 ? -6.373 -3.427 -3.389 1.00 90.88 7 A 1 ATOM 66 C CD2 . PHE A 1 7 ? -5.241 -2.675 -5.358 1.00 91.79 7 A 1 ATOM 67 C CE1 . PHE A 1 7 ? -6.528 -4.688 -3.952 1.00 90.77 7 A 1 ATOM 68 C CE2 . PHE A 1 7 ? -5.395 -3.930 -5.928 1.00 91.37 7 A 1 ATOM 69 C CZ . PHE A 1 7 ? -6.041 -4.942 -5.226 1.00 91.66 7 A 1 ATOM 70 N N . ILE A 1 8 ? -3.827 1.257 -1.914 1.00 97.00 8 A 1 ATOM 71 C CA . ILE A 1 8 ? -3.024 2.475 -2.027 1.00 96.74 8 A 1 ATOM 72 C C . ILE A 1 8 ? -1.781 2.388 -1.143 1.00 97.13 8 A 1 ATOM 73 O O . ILE A 1 8 ? -0.730 2.939 -1.475 1.00 97.03 8 A 1 ATOM 74 C CB . ILE A 1 8 ? -3.865 3.708 -1.641 1.00 96.43 8 A 1 ATOM 75 C CG1 . ILE A 1 8 ? -5.028 3.892 -2.618 1.00 94.45 8 A 1 ATOM 76 C CG2 . ILE A 1 8 ? -2.995 4.967 -1.637 1.00 94.11 8 A 1 ATOM 77 C CD1 . ILE A 1 8 ? -6.083 4.859 -2.117 1.00 89.49 8 A 1 ATOM 78 N N . ALA A 1 9 ? -1.907 1.710 -0.016 1.00 97.73 9 A 1 ATOM 79 C CA . ALA A 1 9 ? -0.797 1.576 0.925 1.00 97.76 9 A 1 ATOM 80 C C . ALA A 1 9 ? 0.319 0.695 0.361 1.00 97.92 9 A 1 ATOM 81 O O . ALA A 1 9 ? 1.500 0.971 0.575 1.00 97.57 9 A 1 ATOM 82 C CB . ALA A 1 9 ? -1.307 0.996 2.239 1.00 97.43 9 A 1 ATOM 83 N N . LEU A 1 10 ? -0.059 -0.356 -0.353 1.00 97.31 10 A 1 ATOM 84 C CA . LEU A 1 10 ? 0.918 -1.278 -0.938 1.00 97.19 10 A 1 ATOM 85 C C . LEU A 1 10 ? 1.854 -0.584 -1.933 1.00 97.59 10 A 1 ATOM 86 O O . LEU A 1 10 ? 3.077 -0.603 -1.751 1.00 97.44 10 A 1 ATOM 87 C CB . LEU A 1 10 ? 0.194 -2.449 -1.613 1.00 96.59 10 A 1 ATOM 88 C CG . LEU A 1 10 ? 0.301 -3.771 -0.858 1.00 92.74 10 A 1 ATOM 89 C CD1 . LEU A 1 10 ? -0.673 -4.785 -1.441 1.00 89.34 10 A 1 ATOM 90 C CD2 . LEU A 1 10 ? 1.724 -4.301 -0.923 1.00 89.94 10 A 1 ATOM 91 N N . PRO A 1 11 ? 1.313 0.020 -2.986 1.00 97.89 11 A 1 ATOM 92 C CA . PRO A 1 11 ? 2.136 0.708 -3.995 1.00 97.84 11 A 1 ATOM 93 C C . PRO A 1 11 ? 2.958 1.837 -3.390 1.00 98.19 11 A 1 ATOM 94 O O . PRO A 1 11 ? 4.065 2.123 -3.847 1.00 97.94 11 A 1 ATOM 95 C CB . PRO A 1 11 ? 1.103 1.270 -4.980 1.00 97.10 11 A 1 ATOM 96 C CG . PRO A 1 11 ? -0.118 0.455 -4.768 1.00 96.22 11 A 1 ATOM 97 C CD . PRO A 1 11 ? -0.097 0.061 -3.311 1.00 97.35 11 A 1 ATOM 98 N N . LEU A 1 12 ? 2.427 2.471 -2.367 1.00 97.63 12 A 1 ATOM 99 C CA . LEU A 1 12 ? 3.115 3.578 -1.702 1.00 97.59 12 A 1 ATOM 100 C C . LEU A 1 12 ? 4.407 3.095 -1.053 1.00 98.02 12 A 1 ATOM 101 O O . LEU A 1 12 ? 5.432 3.779 -1.100 1.00 97.86 12 A 1 ATOM 102 C CB . LEU A 1 12 ? 2.189 4.197 -0.652 1.00 97.04 12 A 1 ATOM 103 C CG . LEU A 1 12 ? 2.392 5.698 -0.483 1.00 94.27 12 A 1 ATOM 104 C CD1 . LEU A 1 12 ? 1.043 6.404 -0.414 1.00 91.85 12 A 1 ATOM 105 C CD2 . LEU A 1 12 ? 3.198 5.990 0.762 1.00 92.06 12 A 1 ATOM 106 N N . ALA A 1 13 ? 4.368 1.905 -0.452 1.00 97.73 13 A 1 ATOM 107 C CA . ALA A 1 13 ? 5.547 1.328 0.195 1.00 97.73 13 A 1 ATOM 108 C C . ALA A 1 13 ? 6.634 1.035 -0.835 1.00 98.13 13 A 1 ATOM 109 O O . ALA A 1 13 ? 7.821 1.232 -0.571 1.00 97.77 13 A 1 ATOM 110 C CB . ALA A 1 13 ? 5.156 0.049 0.931 1.00 97.16 13 A 1 ATOM 111 N N . VAL A 1 14 ? 6.237 0.567 -2.003 1.00 98.28 14 A 1 ATOM 112 C CA . VAL A 1 14 ? 7.179 0.249 -3.079 1.00 98.31 14 A 1 ATOM 113 C C . VAL A 1 14 ? 7.841 1.522 -3.595 1.00 98.54 14 A 1 ATOM 114 O O . VAL A 1 14 ? 9.033 1.525 -3.920 1.00 98.42 14 A 1 ATOM 115 C CB . VAL A 1 14 ? 6.463 -0.473 -4.232 1.00 97.85 14 A 1 ATOM 116 C CG1 . VAL A 1 14 ? 7.440 -0.810 -5.352 1.00 96.12 14 A 1 ATOM 117 C CG2 . VAL A 1 14 ? 5.799 -1.745 -3.725 1.00 96.37 14 A 1 ATOM 118 N N . THR A 1 15 ? 7.082 2.591 -3.663 1.00 98.33 15 A 1 ATOM 119 C CA . THR A 1 15 ? 7.590 3.879 -4.142 1.00 98.18 15 A 1 ATOM 120 C C . THR A 1 15 ? 8.686 4.399 -3.218 1.00 98.37 15 A 1 ATOM 121 O O . THR A 1 15 ? 9.689 4.950 -3.679 1.00 98.08 15 A 1 ATOM 122 C CB . THR A 1 15 ? 6.449 4.902 -4.209 1.00 97.58 15 A 1 ATOM 123 O OG1 . THR A 1 15 ? 5.398 4.391 -5.023 1.00 93.88 15 A 1 ATOM 124 C CG2 . THR A 1 15 ? 6.932 6.212 -4.816 1.00 92.85 15 A 1 ATOM 125 N N . ALA A 1 16 ? 8.504 4.223 -1.925 1.00 98.31 16 A 1 ATOM 126 C CA . ALA A 1 16 ? 9.484 4.669 -0.936 1.00 98.16 16 A 1 ATOM 127 C C . ALA A 1 16 ? 10.787 3.888 -1.073 1.00 98.26 16 A 1 ATOM 128 O O . ALA A 1 16 ? 11.873 4.443 -0.899 1.00 97.74 16 A 1 ATOM 129 C CB . ALA A 1 16 ? 8.917 4.495 0.468 1.00 97.68 16 A 1 ATOM 130 N N . LEU A 1 17 ? 10.676 2.602 -1.366 1.00 98.21 17 A 1 ATOM 131 C CA . LEU A 1 17 ? 11.851 1.745 -1.540 1.00 97.91 17 A 1 ATOM 132 C C . LEU A 1 17 ? 12.592 2.081 -2.824 1.00 97.98 17 A 1 ATOM 133 O O . LEU A 1 17 ? 13.815 1.912 -2.904 1.00 97.53 17 A 1 ATOM 134 C CB . LEU A 1 17 ? 11.420 0.275 -1.559 1.00 97.36 17 A 1 ATOM 135 C CG . LEU A 1 17 ? 11.485 -0.404 -0.192 1.00 93.92 17 A 1 ATOM 136 C CD1 . LEU A 1 17 ? 10.549 -1.598 -0.140 1.00 89.89 17 A 1 ATOM 137 C CD2 . LEU A 1 17 ? 12.915 -0.840 0.100 1.00 89.44 17 A 1 ATOM 138 N N . SER A 1 18 ? 11.872 2.560 -3.822 1.00 98.18 18 A 1 ATOM 139 C CA . SER A 1 18 ? 12.451 2.925 -5.118 1.00 97.78 18 A 1 ATOM 140 C C . SER A 1 18 ? 13.554 3.965 -4.953 1.00 97.59 18 A 1 ATOM 141 O O . SER A 1 18 ? 14.519 3.979 -5.725 1.00 95.26 18 A 1 ATOM 142 C CB . SER A 1 18 ? 11.367 3.464 -6.047 1.00 96.55 18 A 1 ATOM 143 O OG . SER A 1 18 ? 11.811 3.428 -7.381 1.00 87.74 18 A 1 ATOM 144 N N . GLY A 1 19 ? 13.433 4.804 -3.940 1.00 95.62 19 A 1 ATOM 145 C CA . GLY A 1 19 ? 14.437 5.837 -3.662 1.00 92.02 19 A 1 ATOM 146 C C . GLY A 1 19 ? 14.513 6.863 -4.783 1.00 88.19 19 A 1 ATOM 147 O O . GLY A 1 19 ? 15.578 7.011 -5.383 1.00 81.12 19 A 1 ATOM 148 O OXT . GLY A 1 19 ? 13.504 7.538 -5.014 1.00 88.32 19 A 1 #