# 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_spkb11285 # _entry.id spkb11285 # 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" "C3 H7 N O2 S" 121.158 CYS y CYSTEINE C([C@@H](C(=O)O)N)S ? "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" "C5 H11 N O2 S" 149.211 MET y METHIONINE CSCC[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" "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" # _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 ALA 2 1 n LEU 3 1 n SER 4 1 n SER 5 1 n GLN 6 1 n ILE 7 1 n TRP 8 1 n ALA 9 1 n ALA 10 1 n CYS 11 1 n LEU 12 1 n LEU 13 1 n LEU 14 1 n LEU 15 1 n LEU 16 1 n LEU 17 1 n LEU 18 1 n ALA 19 1 n SER 20 1 n LEU 21 1 n THR 22 1 n SER 23 1 n GLY 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 @ 2025-07-04 20:41:17)" _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 94.68 _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 82.28 1 1 A ALA 2 2 92.32 1 2 A LEU 3 2 93.21 1 3 A SER 4 2 94.22 1 4 A SER 5 2 95.65 1 5 A GLN 6 2 93.29 1 6 A ILE 7 2 96.71 1 7 A TRP 8 2 94.54 1 8 A ALA 9 2 98.44 1 9 A ALA 10 2 98.56 1 10 A CYS 11 2 97.82 1 11 A LEU 12 2 96.14 1 12 A LEU 13 2 96.17 1 13 A LEU 14 2 96.31 1 14 A LEU 15 2 96.82 1 15 A LEU 16 2 97.44 1 16 A LEU 17 2 97.07 1 17 A LEU 18 2 96.84 1 18 A ALA 19 2 98.13 1 19 A SER 20 2 97.12 1 20 A LEU 21 2 95.93 1 21 A THR 22 2 93.41 1 22 A SER 23 2 89.42 1 23 A GLY 24 2 83.98 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 ALA . 2 A 2 A 3 1 n LEU . 3 A 3 A 4 1 n SER . 4 A 4 A 5 1 n SER . 5 A 5 A 6 1 n GLN . 6 A 6 A 7 1 n ILE . 7 A 7 A 8 1 n TRP . 8 A 8 A 9 1 n ALA . 9 A 9 A 10 1 n ALA . 10 A 10 A 11 1 n CYS . 11 A 11 A 12 1 n LEU . 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 LEU . 16 A 16 A 17 1 n LEU . 17 A 17 A 18 1 n LEU . 18 A 18 A 19 1 n ALA . 19 A 19 A 20 1 n SER . 20 A 20 A 21 1 n LEU . 21 A 21 A 22 1 n THR . 22 A 22 A 23 1 n SER . 23 A 23 A 24 1 n GLY . 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 ? 7.944 -11.157 3.845 1.00 88.18 1 A 1 ATOM 2 C CA . MET A 1 1 ? 7.017 -11.262 4.978 1.00 89.08 1 A 1 ATOM 3 C C . MET A 1 1 ? 5.895 -12.232 4.651 1.00 90.06 1 A 1 ATOM 4 O O . MET A 1 1 ? 5.802 -12.724 3.528 1.00 87.63 1 A 1 ATOM 5 C CB . MET A 1 1 ? 6.435 -9.898 5.324 1.00 84.98 1 A 1 ATOM 6 C CG . MET A 1 1 ? 7.489 -8.962 5.891 1.00 79.90 1 A 1 ATOM 7 S SD . MET A 1 1 ? 6.805 -7.353 6.304 1.00 74.53 1 A 1 ATOM 8 C CE . MET A 1 1 ? 8.225 -6.593 7.067 1.00 63.85 1 A 1 ATOM 9 N N . ALA A 1 2 ? 5.040 -12.516 5.637 1.00 89.50 2 A 1 ATOM 10 C CA . ALA A 1 2 ? 3.934 -13.439 5.442 1.00 93.68 2 A 1 ATOM 11 C C . ALA A 1 2 ? 2.903 -12.851 4.478 1.00 95.23 2 A 1 ATOM 12 O O . ALA A 1 2 ? 2.886 -11.646 4.227 1.00 93.20 2 A 1 ATOM 13 C CB . ALA A 1 2 ? 3.286 -13.764 6.778 1.00 90.00 2 A 1 ATOM 14 N N . LEU A 1 3 ? 2.034 -13.718 3.961 1.00 97.11 3 A 1 ATOM 15 C CA . LEU A 1 3 ? 0.994 -13.285 3.025 1.00 97.10 3 A 1 ATOM 16 C C . LEU A 1 3 ? 0.098 -12.236 3.670 1.00 97.46 3 A 1 ATOM 17 O O . LEU A 1 3 ? -0.297 -11.259 3.029 1.00 96.93 3 A 1 ATOM 18 C CB . LEU A 1 3 ? 0.162 -14.487 2.580 1.00 96.58 3 A 1 ATOM 19 C CG . LEU A 1 3 ? 0.931 -15.484 1.715 1.00 90.21 3 A 1 ATOM 20 C CD1 . LEU A 1 3 ? 0.093 -16.728 1.467 1.00 85.63 3 A 1 ATOM 21 C CD2 . LEU A 1 3 ? 1.328 -14.847 0.386 1.00 84.69 3 A 1 ATOM 22 N N . SER A 1 4 ? -0.228 -12.440 4.941 1.00 96.95 4 A 1 ATOM 23 C CA . SER A 1 4 ? -1.060 -11.485 5.670 1.00 97.12 4 A 1 ATOM 24 C C . SER A 1 4 ? -0.397 -10.116 5.701 1.00 97.20 4 A 1 ATOM 25 O O . SER A 1 4 ? -1.046 -9.092 5.477 1.00 96.19 4 A 1 ATOM 26 C CB . SER A 1 4 ? -1.311 -11.978 7.087 1.00 95.51 4 A 1 ATOM 27 O OG . SER A 1 4 ? -1.981 -13.222 7.067 1.00 82.38 4 A 1 ATOM 28 N N . SER A 1 5 ? 0.903 -10.098 5.955 1.00 97.82 5 A 1 ATOM 29 C CA . SER A 1 5 ? 1.653 -8.851 5.985 1.00 97.96 5 A 1 ATOM 30 C C . SER A 1 5 ? 1.630 -8.169 4.623 1.00 98.18 5 A 1 ATOM 31 O O . SER A 1 5 ? 1.528 -6.945 4.529 1.00 97.63 5 A 1 ATOM 32 C CB . SER A 1 5 ? 3.095 -9.108 6.408 1.00 97.07 5 A 1 ATOM 33 O OG . SER A 1 5 ? 3.142 -9.631 7.716 1.00 85.26 5 A 1 ATOM 34 N N . GLN A 1 6 ? 1.707 -8.969 3.563 1.00 98.08 6 A 1 ATOM 35 C CA . GLN A 1 6 ? 1.658 -8.432 2.210 1.00 98.28 6 A 1 ATOM 36 C C . GLN A 1 6 ? 0.299 -7.806 1.926 1.00 98.51 6 A 1 ATOM 37 O O . GLN A 1 6 ? 0.216 -6.777 1.250 1.00 98.24 6 A 1 ATOM 38 C CB . GLN A 1 6 ? 1.953 -9.531 1.193 1.00 97.98 6 A 1 ATOM 39 C CG . GLN A 1 6 ? 3.407 -9.979 1.233 1.00 94.37 6 A 1 ATOM 40 C CD . GLN A 1 6 ? 3.716 -11.007 0.164 1.00 89.31 6 A 1 ATOM 41 O OE1 . GLN A 1 6 ? 2.857 -11.790 -0.222 1.00 83.21 6 A 1 ATOM 42 N NE2 . GLN A 1 6 ? 4.934 -11.015 -0.337 1.00 81.63 6 A 1 ATOM 43 N N . ILE A 1 7 ? -0.753 -8.413 2.443 1.00 98.46 7 A 1 ATOM 44 C CA . ILE A 1 7 ? -2.099 -7.870 2.270 1.00 98.48 7 A 1 ATOM 45 C C . ILE A 1 7 ? -2.196 -6.503 2.939 1.00 98.56 7 A 1 ATOM 46 O O . ILE A 1 7 ? -2.721 -5.548 2.357 1.00 98.52 7 A 1 ATOM 47 C CB . ILE A 1 7 ? -3.159 -8.825 2.841 1.00 98.32 7 A 1 ATOM 48 C CG1 . ILE A 1 7 ? -3.176 -10.130 2.036 1.00 96.73 7 A 1 ATOM 49 C CG2 . ILE A 1 7 ? -4.535 -8.167 2.802 1.00 95.65 7 A 1 ATOM 50 C CD1 . ILE A 1 7 ? -4.015 -11.214 2.675 1.00 88.97 7 A 1 ATOM 51 N N . TRP A 1 8 ? -1.692 -6.412 4.171 1.00 98.13 8 A 1 ATOM 52 C CA . TRP A 1 8 ? -1.721 -5.141 4.894 1.00 98.06 8 A 1 ATOM 53 C C . TRP A 1 8 ? -0.904 -4.101 4.142 1.00 98.36 8 A 1 ATOM 54 O O . TRP A 1 8 ? -1.337 -2.956 3.977 1.00 98.33 8 A 1 ATOM 55 C CB . TRP A 1 8 ? -1.175 -5.292 6.320 1.00 97.68 8 A 1 ATOM 56 C CG . TRP A 1 8 ? -1.711 -6.474 7.069 1.00 96.03 8 A 1 ATOM 57 C CD1 . TRP A 1 8 ? -1.006 -7.275 7.912 1.00 92.14 8 A 1 ATOM 58 C CD2 . TRP A 1 8 ? -3.054 -6.986 7.063 1.00 94.07 8 A 1 ATOM 59 N NE1 . TRP A 1 8 ? -1.822 -8.248 8.419 1.00 91.42 8 A 1 ATOM 60 C CE2 . TRP A 1 8 ? -3.086 -8.108 7.917 1.00 93.94 8 A 1 ATOM 61 C CE3 . TRP A 1 8 ? -4.232 -6.611 6.421 1.00 91.67 8 A 1 ATOM 62 C CZ2 . TRP A 1 8 ? -4.252 -8.848 8.129 1.00 93.41 8 A 1 ATOM 63 C CZ3 . TRP A 1 8 ? -5.398 -7.354 6.632 1.00 89.86 8 A 1 ATOM 64 C CH2 . TRP A 1 8 ? -5.396 -8.461 7.479 1.00 90.47 8 A 1 ATOM 65 N N . ALA A 1 9 ? 0.276 -4.501 3.669 1.00 98.41 9 A 1 ATOM 66 C CA . ALA A 1 9 ? 1.151 -3.599 2.936 1.00 98.47 9 A 1 ATOM 67 C C . ALA A 1 9 ? 0.500 -3.138 1.636 1.00 98.61 9 A 1 ATOM 68 O O . ALA A 1 9 ? 0.585 -1.960 1.278 1.00 98.51 9 A 1 ATOM 69 C CB . ALA A 1 9 ? 2.479 -4.291 2.647 1.00 98.19 9 A 1 ATOM 70 N N . ALA A 1 10 ? -0.151 -4.067 0.938 1.00 98.51 10 A 1 ATOM 71 C CA . ALA A 1 10 ? -0.824 -3.741 -0.314 1.00 98.59 10 A 1 ATOM 72 C C . ALA A 1 10 ? -1.959 -2.756 -0.077 1.00 98.71 10 A 1 ATOM 73 O O . ALA A 1 10 ? -2.129 -1.797 -0.835 1.00 98.60 10 A 1 ATOM 74 C CB . ALA A 1 10 ? -1.359 -5.016 -0.964 1.00 98.37 10 A 1 ATOM 75 N N . CYS A 1 11 ? -2.730 -2.996 0.972 1.00 98.48 11 A 1 ATOM 76 C CA . CYS A 1 11 ? -3.837 -2.107 1.312 1.00 98.53 11 A 1 ATOM 77 C C . CYS A 1 11 ? -3.318 -0.717 1.657 1.00 98.63 11 A 1 ATOM 78 O O . CYS A 1 11 ? -3.868 0.290 1.213 1.00 98.51 11 A 1 ATOM 79 C CB . CYS A 1 11 ? -4.628 -2.683 2.488 1.00 98.33 11 A 1 ATOM 80 S SG . CYS A 1 11 ? -6.084 -1.698 2.863 1.00 94.46 11 A 1 ATOM 81 N N . LEU A 1 12 ? -2.256 -0.672 2.447 1.00 98.49 12 A 1 ATOM 82 C CA . LEU A 1 12 ? -1.651 0.593 2.842 1.00 98.48 12 A 1 ATOM 83 C C . LEU A 1 12 ? -1.136 1.346 1.624 1.00 98.62 12 A 1 ATOM 84 O O . LEU A 1 12 ? -1.335 2.556 1.500 1.00 98.56 12 A 1 ATOM 85 C CB . LEU A 1 12 ? -0.511 0.338 3.827 1.00 98.24 12 A 1 ATOM 86 C CG . LEU A 1 12 ? 0.162 1.607 4.346 1.00 92.72 12 A 1 ATOM 87 C CD1 . LEU A 1 12 ? -0.819 2.442 5.155 1.00 91.63 12 A 1 ATOM 88 C CD2 . LEU A 1 12 ? 1.375 1.253 5.189 1.00 92.35 12 A 1 ATOM 89 N N . LEU A 1 13 ? -0.478 0.624 0.733 1.00 98.54 13 A 1 ATOM 90 C CA . LEU A 1 13 ? 0.059 1.224 -0.483 1.00 98.50 13 A 1 ATOM 91 C C . LEU A 1 13 ? -1.064 1.771 -1.354 1.00 98.60 13 A 1 ATOM 92 O O . LEU A 1 13 ? -0.942 2.855 -1.930 1.00 98.51 13 A 1 ATOM 93 C CB . LEU A 1 13 ? 0.863 0.184 -1.259 1.00 98.29 13 A 1 ATOM 94 C CG . LEU A 1 13 ? 1.638 0.769 -2.437 1.00 92.59 13 A 1 ATOM 95 C CD1 . LEU A 1 13 ? 2.743 1.690 -1.948 1.00 91.53 13 A 1 ATOM 96 C CD2 . LEU A 1 13 ? 2.226 -0.344 -3.290 1.00 92.81 13 A 1 ATOM 97 N N . LEU A 1 14 ? -2.152 1.018 -1.447 1.00 98.55 14 A 1 ATOM 98 C CA . LEU A 1 14 ? -3.306 1.447 -2.231 1.00 98.53 14 A 1 ATOM 99 C C . LEU A 1 14 ? -3.894 2.730 -1.662 1.00 98.60 14 A 1 ATOM 100 O O . LEU A 1 14 ? -4.205 3.666 -2.402 1.00 98.47 14 A 1 ATOM 101 C CB . LEU A 1 14 ? -4.366 0.343 -2.238 1.00 98.33 14 A 1 ATOM 102 C CG . LEU A 1 14 ? -5.586 0.665 -3.096 1.00 93.26 14 A 1 ATOM 103 C CD1 . LEU A 1 14 ? -5.194 0.791 -4.565 1.00 91.81 14 A 1 ATOM 104 C CD2 . LEU A 1 14 ? -6.645 -0.407 -2.926 1.00 92.93 14 A 1 ATOM 105 N N . LEU A 1 15 ? -4.049 2.771 -0.340 1.00 98.63 15 A 1 ATOM 106 C CA . LEU A 1 15 ? -4.583 3.955 0.320 1.00 98.55 15 A 1 ATOM 107 C C . LEU A 1 15 ? -3.655 5.142 0.110 1.00 98.58 15 A 1 ATOM 108 O O . LEU A 1 15 ? -4.113 6.266 -0.118 1.00 98.41 15 A 1 ATOM 109 C CB . LEU A 1 15 ? -4.756 3.684 1.817 1.00 98.34 15 A 1 ATOM 110 C CG . LEU A 1 15 ? -5.861 2.681 2.144 1.00 94.86 15 A 1 ATOM 111 C CD1 . LEU A 1 15 ? -5.827 2.322 3.623 1.00 93.45 15 A 1 ATOM 112 C CD2 . LEU A 1 15 ? -7.223 3.253 1.772 1.00 93.77 15 A 1 ATOM 113 N N . LEU A 1 16 ? -2.353 4.886 0.179 1.00 98.63 16 A 1 ATOM 114 C CA . LEU A 1 16 ? -1.362 5.934 -0.027 1.00 98.50 16 A 1 ATOM 115 C C . LEU A 1 16 ? -1.456 6.467 -1.452 1.00 98.47 16 A 1 ATOM 116 O O . LEU A 1 16 ? -1.373 7.678 -1.677 1.00 98.20 16 A 1 ATOM 117 C CB . LEU A 1 16 ? 0.038 5.387 0.271 1.00 98.34 16 A 1 ATOM 118 C CG . LEU A 1 16 ? 1.124 6.461 0.379 1.00 96.70 16 A 1 ATOM 119 C CD1 . LEU A 1 16 ? 2.250 5.991 1.289 1.00 95.25 16 A 1 ATOM 120 C CD2 . LEU A 1 16 ? 1.692 6.812 -0.986 1.00 95.43 16 A 1 ATOM 121 N N . LEU A 1 17 ? -1.644 5.568 -2.409 1.00 98.54 17 A 1 ATOM 122 C CA . LEU A 1 17 ? -1.778 5.961 -3.805 1.00 98.40 17 A 1 ATOM 123 C C . LEU A 1 17 ? -2.997 6.853 -3.997 1.00 98.37 17 A 1 ATOM 124 O O . LEU A 1 17 ? -2.925 7.885 -4.667 1.00 98.10 17 A 1 ATOM 125 C CB . LEU A 1 17 ? -1.898 4.715 -4.683 1.00 98.27 17 A 1 ATOM 126 C CG . LEU A 1 17 ? -1.968 5.019 -6.177 1.00 96.00 17 A 1 ATOM 127 C CD1 . LEU A 1 17 ? -0.659 5.620 -6.668 1.00 94.31 17 A 1 ATOM 128 C CD2 . LEU A 1 17 ? -2.291 3.757 -6.958 1.00 94.55 17 A 1 ATOM 129 N N . LEU A 1 18 ? -4.115 6.454 -3.400 1.00 98.47 18 A 1 ATOM 130 C CA . LEU A 1 18 ? -5.341 7.239 -3.497 1.00 98.28 18 A 1 ATOM 131 C C . LEU A 1 18 ? -5.161 8.598 -2.841 1.00 98.18 18 A 1 ATOM 132 O O . LEU A 1 18 ? -5.627 9.613 -3.362 1.00 97.79 18 A 1 ATOM 133 C CB . LEU A 1 18 ? -6.496 6.486 -2.831 1.00 98.03 18 A 1 ATOM 134 C CG . LEU A 1 18 ? -6.896 5.202 -3.559 1.00 95.77 18 A 1 ATOM 135 C CD1 . LEU A 1 18 ? -7.904 4.419 -2.737 1.00 94.24 18 A 1 ATOM 136 C CD2 . LEU A 1 18 ? -7.464 5.524 -4.936 1.00 93.95 18 A 1 ATOM 137 N N . ALA A 1 19 ? -4.487 8.611 -1.692 1.00 98.48 19 A 1 ATOM 138 C CA . ALA A 1 19 ? -4.231 9.858 -0.984 1.00 98.29 19 A 1 ATOM 139 C C . ALA A 1 19 ? -3.367 10.785 -1.831 1.00 98.27 19 A 1 ATOM 140 O O . ALA A 1 19 ? -3.626 11.988 -1.911 1.00 97.65 19 A 1 ATOM 141 C CB . ALA A 1 19 ? -3.552 9.569 0.352 1.00 97.94 19 A 1 ATOM 142 N N . SER A 1 20 ? -2.359 10.222 -2.478 1.00 98.51 20 A 1 ATOM 143 C CA . SER A 1 20 ? -1.480 10.999 -3.341 1.00 98.34 20 A 1 ATOM 144 C C . SER A 1 20 ? -2.247 11.545 -4.539 1.00 98.31 20 A 1 ATOM 145 O O . SER A 1 20 ? -2.050 12.691 -4.947 1.00 97.46 20 A 1 ATOM 146 C CB . SER A 1 20 ? -0.313 10.140 -3.813 1.00 97.82 20 A 1 ATOM 147 O OG . SER A 1 20 ? 0.560 10.902 -4.614 1.00 92.29 20 A 1 ATOM 148 N N . LEU A 1 21 ? -3.137 10.731 -5.086 1.00 98.32 21 A 1 ATOM 149 C CA . LEU A 1 21 ? -3.946 11.141 -6.230 1.00 98.03 21 A 1 ATOM 150 C C . LEU A 1 21 ? -4.851 12.309 -5.865 1.00 97.86 21 A 1 ATOM 151 O O . LEU A 1 21 ? -4.980 13.273 -6.621 1.00 96.71 21 A 1 ATOM 152 C CB . LEU A 1 21 ? -4.787 9.961 -6.716 1.00 97.66 21 A 1 ATOM 153 C CG . LEU A 1 21 ? -5.596 10.258 -7.971 1.00 95.99 21 A 1 ATOM 154 C CD1 . LEU A 1 21 ? -4.679 10.503 -9.157 1.00 91.86 21 A 1 ATOM 155 C CD2 . LEU A 1 21 ? -6.549 9.116 -8.266 1.00 91.00 21 A 1 ATOM 156 N N . THR A 1 22 ? -5.486 12.216 -4.699 1.00 97.56 22 A 1 ATOM 157 C CA . THR A 1 22 ? -6.373 13.287 -4.246 1.00 96.83 22 A 1 ATOM 158 C C . THR A 1 22 ? -5.584 14.521 -3.837 1.00 95.91 22 A 1 ATOM 159 O O . THR A 1 22 ? -6.099 15.640 -3.909 1.00 92.11 22 A 1 ATOM 160 C CB . THR A 1 22 ? -7.229 12.821 -3.061 1.00 95.14 22 A 1 ATOM 161 O OG1 . THR A 1 22 ? -6.399 12.336 -2.014 1.00 89.16 22 A 1 ATOM 162 C CG2 . THR A 1 22 ? -8.181 11.724 -3.498 1.00 87.17 22 A 1 ATOM 163 N N . SER A 1 23 ? -4.354 14.312 -3.396 1.00 95.48 23 A 1 ATOM 164 C CA . SER A 1 23 ? -3.492 15.419 -2.985 1.00 94.72 23 A 1 ATOM 165 C C . SER A 1 23 ? -2.941 16.175 -4.189 1.00 93.23 23 A 1 ATOM 166 O O . SER A 1 23 ? -2.677 17.378 -4.109 1.00 84.01 23 A 1 ATOM 167 C CB . SER A 1 23 ? -2.338 14.903 -2.128 1.00 90.80 23 A 1 ATOM 168 O OG . SER A 1 23 ? -1.512 15.967 -1.698 1.00 78.28 23 A 1 ATOM 169 N N . GLY A 1 24 ? -2.756 15.464 -5.298 1.00 92.54 24 A 1 ATOM 170 C CA . GLY A 1 24 ? -2.200 16.070 -6.492 1.00 88.66 24 A 1 ATOM 171 C C . GLY A 1 24 ? -3.185 16.943 -7.250 1.00 83.03 24 A 1 ATOM 172 O O . GLY A 1 24 ? -4.361 17.012 -6.881 1.00 73.89 24 A 1 ATOM 173 O OXT . GLY A 1 24 ? -2.776 17.571 -8.257 1.00 81.80 24 A 1 #