# 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_spkb08809 # _entry.id spkb08809 # 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" "C2 H5 N O2" 75.067 GLY y GLYCINE C(C(=O)O)N ? "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" "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 GLY 2 1 n LEU 3 1 n TRP 4 1 n ALA 5 1 n LEU 6 1 n LEU 7 1 n PRO 8 1 n SER 9 1 n TRP 10 1 n VAL 11 1 n SER 12 1 n THR 13 1 n THR 14 1 n LEU 15 1 n LEU 16 1 n LEU 17 1 n ALA 18 1 n LEU 19 1 n THR 20 1 n ALA 21 1 n LEU 22 1 n PRO 23 1 n ALA 24 1 n ALA 25 1 n LEU 26 1 n ALA 27 # _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 @ 2025-07-07 18:28:19)" _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 91.84 _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 80.45 1 1 A GLY 2 2 90.21 1 2 A LEU 3 2 86.95 1 3 A TRP 4 2 86.90 1 4 A ALA 5 2 93.46 1 5 A LEU 6 2 91.22 1 6 A LEU 7 2 90.79 1 7 A PRO 8 2 93.89 1 8 A SER 9 2 93.17 1 9 A TRP 10 2 90.15 1 10 A VAL 11 2 94.87 1 11 A SER 12 2 93.86 1 12 A THR 13 2 94.29 1 13 A THR 14 2 95.16 1 14 A LEU 15 2 93.58 1 15 A LEU 16 2 94.53 1 16 A LEU 17 2 94.89 1 17 A ALA 18 2 96.44 1 18 A LEU 19 2 94.42 1 19 A THR 20 2 94.59 1 20 A ALA 21 2 95.71 1 21 A LEU 22 2 91.68 1 22 A PRO 23 2 95.14 1 23 A ALA 24 2 94.73 1 24 A ALA 25 2 94.98 1 25 A LEU 26 2 90.28 1 26 A ALA 27 2 84.85 1 27 # _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 GLY . 2 A 2 A 3 1 n LEU . 3 A 3 A 4 1 n TRP . 4 A 4 A 5 1 n ALA . 5 A 5 A 6 1 n LEU . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n PRO . 8 A 8 A 9 1 n SER . 9 A 9 A 10 1 n TRP . 10 A 10 A 11 1 n VAL . 11 A 11 A 12 1 n SER . 12 A 12 A 13 1 n THR . 13 A 13 A 14 1 n THR . 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 ALA . 18 A 18 A 19 1 n LEU . 19 A 19 A 20 1 n THR . 20 A 20 A 21 1 n ALA . 21 A 21 A 22 1 n LEU . 22 A 22 A 23 1 n PRO . 23 A 23 A 24 1 n ALA . 24 A 24 A 25 1 n ALA . 25 A 25 A 26 1 n LEU . 26 A 26 A 27 1 n ALA . 27 A 27 # _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 ? -11.453 -7.916 13.692 1.00 85.49 1 A 1 ATOM 2 C CA . MET A 1 1 ? -10.056 -7.557 14.041 1.00 86.49 1 A 1 ATOM 3 C C . MET A 1 1 ? -9.079 -7.961 12.936 1.00 86.93 1 A 1 ATOM 4 O O . MET A 1 1 ? -7.949 -7.499 12.907 1.00 83.04 1 A 1 ATOM 5 C CB . MET A 1 1 ? -9.662 -8.265 15.338 1.00 81.70 1 A 1 ATOM 6 C CG . MET A 1 1 ? -10.322 -7.582 16.532 1.00 78.72 1 A 1 ATOM 7 S SD . MET A 1 1 ? -9.712 -8.261 18.079 1.00 75.64 1 A 1 ATOM 8 C CE . MET A 1 1 ? -10.610 -7.215 19.218 1.00 65.57 1 A 1 ATOM 9 N N . GLY A 1 2 ? -9.516 -8.807 12.065 1.00 89.38 2 A 1 ATOM 10 C CA . GLY A 1 2 ? -8.654 -9.231 10.952 1.00 90.52 2 A 1 ATOM 11 C C . GLY A 1 2 ? -8.552 -8.169 9.865 1.00 91.48 2 A 1 ATOM 12 O O . GLY A 1 2 ? -8.972 -7.035 10.053 1.00 89.47 2 A 1 ATOM 13 N N . LEU A 1 3 ? -7.986 -8.549 8.730 1.00 90.86 3 A 1 ATOM 14 C CA . LEU A 1 3 ? -7.838 -7.616 7.601 1.00 91.00 3 A 1 ATOM 15 C C . LEU A 1 3 ? -9.198 -7.140 7.104 1.00 92.60 3 A 1 ATOM 16 O O . LEU A 1 3 ? -9.332 -6.015 6.630 1.00 90.85 3 A 1 ATOM 17 C CB . LEU A 1 3 ? -7.092 -8.326 6.467 1.00 88.46 3 A 1 ATOM 18 C CG . LEU A 1 3 ? -5.630 -8.611 6.813 1.00 84.70 3 A 1 ATOM 19 C CD1 . LEU A 1 3 ? -5.096 -9.740 5.936 1.00 80.62 3 A 1 ATOM 20 C CD2 . LEU A 1 3 ? -4.788 -7.352 6.580 1.00 76.53 3 A 1 ATOM 21 N N . TRP A 1 4 ? -10.196 -8.007 7.229 1.00 91.61 4 A 1 ATOM 22 C CA . TRP A 1 4 ? -11.553 -7.662 6.775 1.00 92.23 4 A 1 ATOM 23 C C . TRP A 1 4 ? -12.096 -6.468 7.552 1.00 93.43 4 A 1 ATOM 24 O O . TRP A 1 4 ? -12.650 -5.539 6.970 1.00 92.71 4 A 1 ATOM 25 C CB . TRP A 1 4 ? -12.460 -8.874 6.980 1.00 90.37 4 A 1 ATOM 26 C CG . TRP A 1 4 ? -13.806 -8.659 6.382 1.00 88.10 4 A 1 ATOM 27 C CD1 . TRP A 1 4 ? -14.886 -8.101 7.010 1.00 84.21 4 A 1 ATOM 28 C CD2 . TRP A 1 4 ? -14.240 -8.970 5.047 1.00 86.22 4 A 1 ATOM 29 N NE1 . TRP A 1 4 ? -15.961 -8.045 6.138 1.00 84.07 4 A 1 ATOM 30 C CE2 . TRP A 1 4 ? -15.598 -8.579 4.918 1.00 85.61 4 A 1 ATOM 31 C CE3 . TRP A 1 4 ? -13.618 -9.558 3.936 1.00 83.40 4 A 1 ATOM 32 C CZ2 . TRP A 1 4 ? -16.318 -8.750 3.737 1.00 83.41 4 A 1 ATOM 33 C CZ3 . TRP A 1 4 ? -14.333 -9.730 2.763 1.00 80.52 4 A 1 ATOM 34 C CH2 . TRP A 1 4 ? -15.676 -9.330 2.653 1.00 80.75 4 A 1 ATOM 35 N N . ALA A 1 5 ? -11.917 -6.475 8.861 1.00 93.47 5 A 1 ATOM 36 C CA . ALA A 1 5 ? -12.398 -5.381 9.712 1.00 93.95 5 A 1 ATOM 37 C C . ALA A 1 5 ? -11.373 -4.255 9.793 1.00 94.95 5 A 1 ATOM 38 O O . ALA A 1 5 ? -11.734 -3.088 9.925 1.00 92.95 5 A 1 ATOM 39 C CB . ALA A 1 5 ? -12.691 -5.926 11.107 1.00 91.99 5 A 1 ATOM 40 N N . LEU A 1 6 ? -10.092 -4.594 9.719 1.00 93.99 6 A 1 ATOM 41 C CA . LEU A 1 6 ? -9.014 -3.605 9.782 1.00 93.64 6 A 1 ATOM 42 C C . LEU A 1 6 ? -9.093 -2.644 8.604 1.00 94.41 6 A 1 ATOM 43 O O . LEU A 1 6 ? -9.302 -1.445 8.781 1.00 93.07 6 A 1 ATOM 44 C CB . LEU A 1 6 ? -7.663 -4.322 9.782 1.00 92.69 6 A 1 ATOM 45 C CG . LEU A 1 6 ? -6.540 -3.441 10.323 1.00 90.74 6 A 1 ATOM 46 C CD1 . LEU A 1 6 ? -6.436 -3.601 11.841 1.00 86.86 6 A 1 ATOM 47 C CD2 . LEU A 1 6 ? -5.222 -3.827 9.677 1.00 84.36 6 A 1 ATOM 48 N N . LEU A 1 7 ? -8.906 -3.166 7.402 1.00 93.50 7 A 1 ATOM 49 C CA . LEU A 1 7 ? -8.954 -2.325 6.199 1.00 93.42 7 A 1 ATOM 50 C C . LEU A 1 7 ? -9.350 -3.149 4.979 1.00 94.27 7 A 1 ATOM 51 O O . LEU A 1 7 ? -8.993 -4.319 4.877 1.00 93.89 7 A 1 ATOM 52 C CB . LEU A 1 7 ? -7.576 -1.694 5.980 1.00 92.00 7 A 1 ATOM 53 C CG . LEU A 1 7 ? -7.335 -0.479 6.878 1.00 88.93 7 A 1 ATOM 54 C CD1 . LEU A 1 7 ? -5.843 -0.295 7.123 1.00 86.20 7 A 1 ATOM 55 C CD2 . LEU A 1 7 ? -7.910 0.769 6.224 1.00 84.09 7 A 1 ATOM 56 N N . PRO A 1 8 ? -10.074 -2.529 4.046 1.00 95.26 8 A 1 ATOM 57 C CA . PRO A 1 8 ? -10.505 -3.233 2.835 1.00 94.95 8 A 1 ATOM 58 C C . PRO A 1 8 ? -9.330 -3.483 1.888 1.00 95.45 8 A 1 ATOM 59 O O . PRO A 1 8 ? -8.273 -2.872 2.009 1.00 94.24 8 A 1 ATOM 60 C CB . PRO A 1 8 ? -11.533 -2.276 2.210 1.00 92.76 8 A 1 ATOM 61 C CG . PRO A 1 8 ? -11.169 -0.925 2.731 1.00 91.09 8 A 1 ATOM 62 C CD . PRO A 1 8 ? -10.550 -1.160 4.103 1.00 93.49 8 A 1 ATOM 63 N N . SER A 1 9 ? -9.527 -4.376 0.937 1.00 94.81 9 A 1 ATOM 64 C CA . SER A 1 9 ? -8.483 -4.719 -0.042 1.00 94.87 9 A 1 ATOM 65 C C . SER A 1 9 ? -8.104 -3.506 -0.892 1.00 95.82 9 A 1 ATOM 66 O O . SER A 1 9 ? -6.961 -3.355 -1.313 1.00 94.63 9 A 1 ATOM 67 C CB . SER A 1 9 ? -8.993 -5.842 -0.937 1.00 92.95 9 A 1 ATOM 68 O OG . SER A 1 9 ? -7.992 -6.235 -1.831 1.00 85.97 9 A 1 ATOM 69 N N . TRP A 1 10 ? -9.060 -2.620 -1.111 1.00 93.48 10 A 1 ATOM 70 C CA . TRP A 1 10 ? -8.826 -1.415 -1.923 1.00 94.10 10 A 1 ATOM 71 C C . TRP A 1 10 ? -7.734 -0.540 -1.307 1.00 95.46 10 A 1 ATOM 72 O O . TRP A 1 10 ? -6.853 -0.051 -2.007 1.00 95.25 10 A 1 ATOM 73 C CB . TRP A 1 10 ? -10.130 -0.623 -2.017 1.00 93.23 10 A 1 ATOM 74 C CG . TRP A 1 10 ? -10.134 0.253 -3.224 1.00 91.69 10 A 1 ATOM 75 C CD1 . TRP A 1 10 ? -10.609 -0.075 -4.454 1.00 88.76 10 A 1 ATOM 76 C CD2 . TRP A 1 10 ? -9.636 1.605 -3.331 1.00 90.10 10 A 1 ATOM 77 N NE1 . TRP A 1 10 ? -10.436 0.986 -5.317 1.00 87.11 10 A 1 ATOM 78 C CE2 . TRP A 1 10 ? -9.841 2.030 -4.664 1.00 89.04 10 A 1 ATOM 79 C CE3 . TRP A 1 10 ? -9.037 2.493 -2.427 1.00 87.01 10 A 1 ATOM 80 C CZ2 . TRP A 1 10 ? -9.458 3.307 -5.094 1.00 87.48 10 A 1 ATOM 81 C CZ3 . TRP A 1 10 ? -8.656 3.766 -2.857 1.00 84.85 10 A 1 ATOM 82 C CH2 . TRP A 1 10 ? -8.867 4.164 -4.179 1.00 84.49 10 A 1 ATOM 83 N N . VAL A 1 11 ? -7.772 -0.355 -0.008 1.00 95.58 11 A 1 ATOM 84 C CA . VAL A 1 11 ? -6.772 0.466 0.696 1.00 95.50 11 A 1 ATOM 85 C C . VAL A 1 11 ? -5.383 -0.156 0.570 1.00 95.98 11 A 1 ATOM 86 O O . VAL A 1 11 ? -4.393 0.549 0.391 1.00 96.09 11 A 1 ATOM 87 C CB . VAL A 1 11 ? -7.151 0.608 2.179 1.00 95.00 11 A 1 ATOM 88 C CG1 . VAL A 1 11 ? -6.111 1.430 2.926 1.00 93.23 11 A 1 ATOM 89 C CG2 . VAL A 1 11 ? -8.515 1.275 2.310 1.00 92.70 11 A 1 ATOM 90 N N . SER A 1 12 ? -5.309 -1.464 0.671 1.00 95.43 12 A 1 ATOM 91 C CA . SER A 1 12 ? -4.029 -2.176 0.564 1.00 95.06 12 A 1 ATOM 92 C C . SER A 1 12 ? -3.408 -1.962 -0.813 1.00 95.87 12 A 1 ATOM 93 O O . SER A 1 12 ? -2.205 -1.759 -0.941 1.00 95.32 12 A 1 ATOM 94 C CB . SER A 1 12 ? -4.259 -3.665 0.803 1.00 93.62 12 A 1 ATOM 95 O OG . SER A 1 12 ? -3.018 -4.328 0.870 1.00 87.84 12 A 1 ATOM 96 N N . THR A 1 13 ? -4.224 -1.989 -1.829 1.00 95.44 13 A 1 ATOM 97 C CA . THR A 1 13 ? -3.750 -1.788 -3.206 1.00 95.68 13 A 1 ATOM 98 C C . THR A 1 13 ? -3.219 -0.370 -3.385 1.00 96.56 13 A 1 ATOM 99 O O . THR A 1 13 ? -2.196 -0.158 -4.034 1.00 96.03 13 A 1 ATOM 100 C CB . THR A 1 13 ? -4.904 -2.028 -4.179 1.00 94.85 13 A 1 ATOM 101 O OG1 . THR A 1 13 ? -5.463 -3.312 -3.929 1.00 91.37 13 A 1 ATOM 102 C CG2 . THR A 1 13 ? -4.403 -2.000 -5.615 1.00 90.10 13 A 1 ATOM 103 N N . THR A 1 14 ? -3.891 0.594 -2.807 1.00 96.30 14 A 1 ATOM 104 C CA . THR A 1 14 ? -3.474 1.999 -2.907 1.00 96.24 14 A 1 ATOM 105 C C . THR A 1 14 ? -2.137 2.208 -2.201 1.00 96.69 14 A 1 ATOM 106 O O . THR A 1 14 ? -1.273 2.930 -2.697 1.00 96.13 14 A 1 ATOM 107 C CB . THR A 1 14 ? -4.536 2.891 -2.266 1.00 95.71 14 A 1 ATOM 108 O OG1 . THR A 1 14 ? -5.798 2.590 -2.848 1.00 93.38 14 A 1 ATOM 109 C CG2 . THR A 1 14 ? -4.227 4.359 -2.526 1.00 91.66 14 A 1 ATOM 110 N N . LEU A 1 15 ? -1.961 1.581 -1.057 1.00 96.50 15 A 1 ATOM 111 C CA . LEU A 1 15 ? -0.713 1.700 -0.296 1.00 95.91 15 A 1 ATOM 112 C C . LEU A 1 15 ? 0.457 1.121 -1.084 1.00 96.59 15 A 1 ATOM 113 O O . LEU A 1 15 ? 1.527 1.722 -1.152 1.00 96.34 15 A 1 ATOM 114 C CB . LEU A 1 15 ? -0.869 0.956 1.031 1.00 95.43 15 A 1 ATOM 115 C CG . LEU A 1 15 ? -1.303 1.880 2.167 1.00 90.85 15 A 1 ATOM 116 C CD1 . LEU A 1 15 ? -1.976 1.082 3.273 1.00 88.42 15 A 1 ATOM 117 C CD2 . LEU A 1 15 ? -0.079 2.606 2.727 1.00 88.62 15 A 1 ATOM 118 N N . LEU A 1 16 ? 0.250 -0.036 -1.673 1.00 96.08 16 A 1 ATOM 119 C CA . LEU A 1 16 ? 1.298 -0.686 -2.469 1.00 96.00 16 A 1 ATOM 120 C C . LEU A 1 16 ? 1.672 0.173 -3.670 1.00 96.82 16 A 1 ATOM 121 O O . LEU A 1 16 ? 2.850 0.331 -3.989 1.00 96.91 16 A 1 ATOM 122 C CB . LEU A 1 16 ? 0.789 -2.051 -2.938 1.00 95.77 16 A 1 ATOM 123 C CG . LEU A 1 16 ? 1.209 -3.180 -2.000 1.00 92.65 16 A 1 ATOM 124 C CD1 . LEU A 1 16 ? 0.283 -4.376 -2.149 1.00 91.09 16 A 1 ATOM 125 C CD2 . LEU A 1 16 ? 2.643 -3.605 -2.328 1.00 90.93 16 A 1 ATOM 126 N N . LEU A 1 17 ? 0.681 0.725 -4.320 1.00 96.48 17 A 1 ATOM 127 C CA . LEU A 1 17 ? 0.914 1.567 -5.497 1.00 96.18 17 A 1 ATOM 128 C C . LEU A 1 17 ? 1.677 2.829 -5.113 1.00 96.72 17 A 1 ATOM 129 O O . LEU A 1 17 ? 2.620 3.225 -5.796 1.00 96.55 17 A 1 ATOM 130 C CB . LEU A 1 17 ? -0.432 1.934 -6.121 1.00 95.91 17 A 1 ATOM 131 C CG . LEU A 1 17 ? -0.354 1.997 -7.645 1.00 92.94 17 A 1 ATOM 132 C CD1 . LEU A 1 17 ? -1.513 1.222 -8.266 1.00 92.13 17 A 1 ATOM 133 C CD2 . LEU A 1 17 ? -0.386 3.435 -8.126 1.00 92.20 17 A 1 ATOM 134 N N . ALA A 1 18 ? 1.283 3.461 -4.025 1.00 96.74 18 A 1 ATOM 135 C CA . ALA A 1 18 ? 1.942 4.687 -3.560 1.00 96.40 18 A 1 ATOM 136 C C . ALA A 1 18 ? 3.383 4.405 -3.140 1.00 96.91 18 A 1 ATOM 137 O O . ALA A 1 18 ? 4.279 5.202 -3.403 1.00 96.16 18 A 1 ATOM 138 C CB . ALA A 1 18 ? 1.155 5.260 -2.386 1.00 95.97 18 A 1 ATOM 139 N N . LEU A 1 19 ? 3.606 3.279 -2.488 1.00 96.18 19 A 1 ATOM 140 C CA . LEU A 1 19 ? 4.949 2.901 -2.035 1.00 95.76 19 A 1 ATOM 141 C C . LEU A 1 19 ? 5.879 2.694 -3.227 1.00 96.31 19 A 1 ATOM 142 O O . LEU A 1 19 ? 7.018 3.161 -3.225 1.00 95.91 19 A 1 ATOM 143 C CB . LEU A 1 19 ? 4.857 1.610 -1.216 1.00 95.21 19 A 1 ATOM 144 C CG . LEU A 1 19 ? 6.093 1.383 -0.349 1.00 93.37 19 A 1 ATOM 145 C CD1 . LEU A 1 19 ? 5.935 2.086 1.002 1.00 91.54 19 A 1 ATOM 146 C CD2 . LEU A 1 19 ? 6.306 -0.106 -0.121 1.00 91.05 19 A 1 ATOM 147 N N . THR A 1 20 ? 5.406 2.000 -4.230 1.00 96.17 20 A 1 ATOM 148 C CA . THR A 1 20 ? 6.214 1.732 -5.429 1.00 95.75 20 A 1 ATOM 149 C C . THR A 1 20 ? 6.376 2.992 -6.274 1.00 96.08 20 A 1 ATOM 150 O O . THR A 1 20 ? 7.422 3.204 -6.889 1.00 95.02 20 A 1 ATOM 151 C CB . THR A 1 20 ? 5.536 0.641 -6.265 1.00 94.76 20 A 1 ATOM 152 O OG1 . THR A 1 20 ? 5.243 -0.476 -5.433 1.00 92.78 20 A 1 ATOM 153 C CG2 . THR A 1 20 ? 6.457 0.164 -7.381 1.00 91.55 20 A 1 ATOM 154 N N . ALA A 1 21 ? 5.366 3.821 -6.306 1.00 96.51 21 A 1 ATOM 155 C CA . ALA A 1 21 ? 5.399 5.050 -7.103 1.00 95.83 21 A 1 ATOM 156 C C . ALA A 1 21 ? 6.278 6.117 -6.454 1.00 96.16 21 A 1 ATOM 157 O O . ALA A 1 21 ? 6.778 7.009 -7.136 1.00 94.93 21 A 1 ATOM 158 C CB . ALA A 1 21 ? 3.980 5.570 -7.283 1.00 95.11 21 A 1 ATOM 159 N N . LEU A 1 22 ? 6.469 6.035 -5.143 1.00 95.08 22 A 1 ATOM 160 C CA . LEU A 1 22 ? 7.272 7.029 -4.420 1.00 94.46 22 A 1 ATOM 161 C C . LEU A 1 22 ? 8.461 6.374 -3.719 1.00 95.64 22 A 1 ATOM 162 O O . LEU A 1 22 ? 8.477 6.238 -2.496 1.00 95.56 22 A 1 ATOM 163 C CB . LEU A 1 22 ? 6.369 7.741 -3.413 1.00 93.37 22 A 1 ATOM 164 C CG . LEU A 1 22 ? 5.436 8.742 -4.086 1.00 88.24 22 A 1 ATOM 165 C CD1 . LEU A 1 22 ? 4.139 8.866 -3.308 1.00 85.82 22 A 1 ATOM 166 C CD2 . LEU A 1 22 ? 6.128 10.101 -4.172 1.00 85.27 22 A 1 ATOM 167 N N . PRO A 1 23 ? 9.479 5.982 -4.474 1.00 95.97 23 A 1 ATOM 168 C CA . PRO A 1 23 ? 10.672 5.355 -3.895 1.00 95.73 23 A 1 ATOM 169 C C . PRO A 1 23 ? 11.576 6.405 -3.249 1.00 96.30 23 A 1 ATOM 170 O O . PRO A 1 23 ? 11.950 7.393 -3.872 1.00 95.82 23 A 1 ATOM 171 C CB . PRO A 1 23 ? 11.354 4.695 -5.100 1.00 94.19 23 A 1 ATOM 172 C CG . PRO A 1 23 ? 10.926 5.503 -6.283 1.00 93.04 23 A 1 ATOM 173 C CD . PRO A 1 23 ? 9.554 6.069 -5.935 1.00 94.95 23 A 1 ATOM 174 N N . ALA A 1 24 ? 11.937 6.189 -1.999 1.00 94.82 24 A 1 ATOM 175 C CA . ALA A 1 24 ? 12.799 7.124 -1.269 1.00 94.73 24 A 1 ATOM 176 C C . ALA A 1 24 ? 14.220 7.110 -1.825 1.00 95.76 24 A 1 ATOM 177 O O . ALA A 1 24 ? 14.958 8.079 -1.691 1.00 94.98 24 A 1 ATOM 178 C CB . ALA A 1 24 ? 12.809 6.744 0.208 1.00 93.34 24 A 1 ATOM 179 N N . ALA A 1 25 ? 14.616 6.015 -2.446 1.00 95.23 25 A 1 ATOM 180 C CA . ALA A 1 25 ? 15.962 5.881 -3.018 1.00 95.00 25 A 1 ATOM 181 C C . ALA A 1 25 ? 16.219 6.948 -4.081 1.00 95.84 25 A 1 ATOM 182 O O . ALA A 1 25 ? 17.328 7.459 -4.203 1.00 94.70 25 A 1 ATOM 183 C CB . ALA A 1 25 ? 16.110 4.490 -3.622 1.00 94.11 25 A 1 ATOM 184 N N . LEU A 1 26 ? 15.198 7.280 -4.847 1.00 94.34 26 A 1 ATOM 185 C CA . LEU A 1 26 ? 15.331 8.305 -5.893 1.00 93.49 26 A 1 ATOM 186 C C . LEU A 1 26 ? 15.499 9.694 -5.287 1.00 94.02 26 A 1 ATOM 187 O O . LEU A 1 26 ? 16.301 10.494 -5.765 1.00 92.92 26 A 1 ATOM 188 C CB . LEU A 1 26 ? 14.088 8.270 -6.783 1.00 91.99 26 A 1 ATOM 189 C CG . LEU A 1 26 ? 14.257 7.353 -7.993 1.00 88.57 26 A 1 ATOM 190 C CD1 . LEU A 1 26 ? 12.902 6.964 -8.567 1.00 84.97 26 A 1 ATOM 191 C CD2 . LEU A 1 26 ? 15.075 8.076 -9.067 1.00 81.95 26 A 1 ATOM 192 N N . ALA A 1 27 ? 14.728 9.988 -4.253 1.00 90.67 27 A 1 ATOM 193 C CA . ALA A 1 27 ? 14.786 11.288 -3.588 1.00 88.73 27 A 1 ATOM 194 C C . ALA A 1 27 ? 16.039 11.420 -2.724 1.00 85.80 27 A 1 ATOM 195 O O . ALA A 1 27 ? 16.559 10.400 -2.257 1.00 82.08 27 A 1 ATOM 196 C CB . ALA A 1 27 ? 13.531 11.491 -2.747 1.00 84.26 27 A 1 ATOM 197 O OXT . ALA A 1 27 ? 16.486 12.551 -2.485 1.00 77.54 27 A 1 #