# 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_spkb23347 # _entry.id spkb23347 # 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 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 ALA 2 1 n THR 3 1 n ARG 4 1 n ALA 5 1 n ALA 6 1 n ARG 7 1 n VAL 8 1 n TRP 9 1 n SER 10 1 n GLY 11 1 n TRP 12 1 n TRP 13 1 n LEU 14 1 n LEU 15 1 n LEU 16 1 n LEU 17 1 n PRO 18 1 n LEU 19 1 n LEU 20 1 n GLY 21 1 n LEU 22 1 n ALA 23 1 n GLY 24 1 n ALA 25 1 n SER 26 # _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 @ 2025-07-06 20:12:05)" _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 91.17 _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 76.64 1 1 A ALA 2 2 85.77 1 2 A THR 3 2 90.33 1 3 A ARG 4 2 83.58 1 4 A ALA 5 2 93.48 1 5 A ALA 6 2 93.72 1 6 A ARG 7 2 85.66 1 7 A VAL 8 2 94.23 1 8 A TRP 9 2 88.12 1 9 A SER 10 2 94.10 1 10 A GLY 11 2 96.42 1 11 A TRP 12 2 92.13 1 12 A TRP 13 2 92.96 1 13 A LEU 14 2 94.68 1 14 A LEU 15 2 95.08 1 15 A LEU 16 2 95.09 1 16 A LEU 17 2 94.95 1 17 A PRO 18 2 96.52 1 18 A LEU 19 2 95.27 1 19 A LEU 20 2 94.41 1 20 A GLY 21 2 96.34 1 21 A LEU 22 2 93.60 1 22 A ALA 23 2 94.60 1 23 A GLY 24 2 91.78 1 24 A ALA 25 2 91.83 1 25 A SER 26 2 81.68 1 26 # _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 THR . 3 A 3 A 4 1 n ARG . 4 A 4 A 5 1 n ALA . 5 A 5 A 6 1 n ALA . 6 A 6 A 7 1 n ARG . 7 A 7 A 8 1 n VAL . 8 A 8 A 9 1 n TRP . 9 A 9 A 10 1 n SER . 10 A 10 A 11 1 n GLY . 11 A 11 A 12 1 n TRP . 12 A 12 A 13 1 n TRP . 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 PRO . 18 A 18 A 19 1 n LEU . 19 A 19 A 20 1 n LEU . 20 A 20 A 21 1 n GLY . 21 A 21 A 22 1 n LEU . 22 A 22 A 23 1 n ALA . 23 A 23 A 24 1 n GLY . 24 A 24 A 25 1 n ALA . 25 A 25 A 26 1 n SER . 26 A 26 # _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 ? -22.315 -2.704 1.555 1.00 82.01 1 A 1 ATOM 2 C CA . MET A 1 1 ? -20.998 -2.165 1.955 1.00 85.09 1 A 1 ATOM 3 C C . MET A 1 1 ? -20.095 -1.987 0.739 1.00 86.24 1 A 1 ATOM 4 O O . MET A 1 1 ? -19.817 -2.952 0.037 1.00 80.31 1 A 1 ATOM 5 C CB . MET A 1 1 ? -20.316 -3.121 2.921 1.00 77.62 1 A 1 ATOM 6 C CG . MET A 1 1 ? -21.113 -3.277 4.205 1.00 72.97 1 A 1 ATOM 7 S SD . MET A 1 1 ? -20.427 -4.570 5.235 1.00 68.80 1 A 1 ATOM 8 C CE . MET A 1 1 ? -21.652 -4.606 6.543 1.00 60.07 1 A 1 ATOM 9 N N . ALA A 1 2 ? -19.653 -0.777 0.499 1.00 81.23 2 A 1 ATOM 10 C CA . ALA A 1 2 ? -18.783 -0.477 -0.642 1.00 87.57 2 A 1 ATOM 11 C C . ALA A 1 2 ? -17.440 0.090 -0.173 1.00 90.25 2 A 1 ATOM 12 O O . ALA A 1 2 ? -16.814 0.887 -0.868 1.00 86.08 2 A 1 ATOM 13 C CB . ALA A 1 2 ? -19.488 0.507 -1.559 1.00 83.72 2 A 1 ATOM 14 N N . THR A 1 3 ? -17.023 -0.310 1.004 1.00 94.10 3 A 1 ATOM 15 C CA . THR A 1 3 ? -15.756 0.169 1.571 1.00 94.27 3 A 1 ATOM 16 C C . THR A 1 3 ? -14.596 -0.762 1.237 1.00 94.64 3 A 1 ATOM 17 O O . THR A 1 3 ? -13.477 -0.569 1.706 1.00 92.24 3 A 1 ATOM 18 C CB . THR A 1 3 ? -15.884 0.301 3.092 1.00 91.83 3 A 1 ATOM 19 O OG1 . THR A 1 3 ? -14.666 0.798 3.632 1.00 83.99 3 A 1 ATOM 20 C CG2 . THR A 1 3 ? -16.184 -1.045 3.735 1.00 81.23 3 A 1 ATOM 21 N N . ARG A 1 4 ? -14.874 -1.768 0.437 1.00 94.09 4 A 1 ATOM 22 C CA . ARG A 1 4 ? -13.830 -2.731 0.051 1.00 94.25 4 A 1 ATOM 23 C C . ARG A 1 4 ? -12.751 -2.039 -0.788 1.00 95.32 4 A 1 ATOM 24 O O . ARG A 1 4 ? -11.576 -2.378 -0.705 1.00 93.65 4 A 1 ATOM 25 C CB . ARG A 1 4 ? -14.462 -3.881 -0.745 1.00 92.26 4 A 1 ATOM 26 C CG . ARG A 1 4 ? -14.725 -3.543 -2.181 1.00 85.68 4 A 1 ATOM 27 C CD . ARG A 1 4 ? -14.048 -4.571 -3.073 1.00 81.98 4 A 1 ATOM 28 N NE . ARG A 1 4 ? -15.005 -5.550 -3.592 1.00 76.33 4 A 1 ATOM 29 C CZ . ARG A 1 4 ? -15.786 -5.340 -4.634 1.00 73.51 4 A 1 ATOM 30 N NH1 . ARG A 1 4 ? -15.765 -4.197 -5.284 1.00 66.03 4 A 1 ATOM 31 N NH2 . ARG A 1 4 ? -16.606 -6.289 -5.035 1.00 66.29 4 A 1 ATOM 32 N N . ALA A 1 5 ? -13.157 -1.065 -1.611 1.00 93.20 5 A 1 ATOM 33 C CA . ALA A 1 5 ? -12.215 -0.328 -2.457 1.00 93.76 5 A 1 ATOM 34 C C . ALA A 1 5 ? -11.197 0.421 -1.604 1.00 94.53 5 A 1 ATOM 35 O O . ALA A 1 5 ? -10.014 0.479 -1.934 1.00 93.45 5 A 1 ATOM 36 C CB . ALA A 1 5 ? -12.982 0.640 -3.345 1.00 92.47 5 A 1 ATOM 37 N N . ALA A 1 6 ? -11.664 0.999 -0.504 1.00 94.89 6 A 1 ATOM 38 C CA . ALA A 1 6 ? -10.783 1.741 0.399 1.00 94.25 6 A 1 ATOM 39 C C . ALA A 1 6 ? -9.734 0.814 1.006 1.00 94.23 6 A 1 ATOM 40 O O . ALA A 1 6 ? -8.576 1.190 1.174 1.00 91.95 6 A 1 ATOM 41 C CB . ALA A 1 6 ? -11.617 2.390 1.495 1.00 93.28 6 A 1 ATOM 42 N N . ARG A 1 7 ? -10.158 -0.392 1.343 1.00 95.87 7 A 1 ATOM 43 C CA . ARG A 1 7 ? -9.246 -1.383 1.920 1.00 95.48 7 A 1 ATOM 44 C C . ARG A 1 7 ? -8.177 -1.786 0.914 1.00 96.16 7 A 1 ATOM 45 O O . ARG A 1 7 ? -7.014 -1.969 1.268 1.00 94.90 7 A 1 ATOM 46 C CB . ARG A 1 7 ? -10.063 -2.604 2.342 1.00 94.31 7 A 1 ATOM 47 C CG . ARG A 1 7 ? -9.179 -3.753 2.793 1.00 87.27 7 A 1 ATOM 48 C CD . ARG A 1 7 ? -9.767 -5.052 2.276 1.00 83.87 7 A 1 ATOM 49 N NE . ARG A 1 7 ? -8.699 -6.032 2.027 1.00 78.56 7 A 1 ATOM 50 C CZ . ARG A 1 7 ? -8.584 -6.709 0.894 1.00 76.00 7 A 1 ATOM 51 N NH1 . ARG A 1 7 ? -9.444 -6.564 -0.079 1.00 69.27 7 A 1 ATOM 52 N NH2 . ARG A 1 7 ? -7.571 -7.537 0.724 1.00 70.55 7 A 1 ATOM 53 N N . VAL A 1 8 ? -8.559 -1.915 -0.342 1.00 95.95 8 A 1 ATOM 54 C CA . VAL A 1 8 ? -7.625 -2.287 -1.412 1.00 95.69 8 A 1 ATOM 55 C C . VAL A 1 8 ? -6.554 -1.211 -1.580 1.00 95.98 8 A 1 ATOM 56 O O . VAL A 1 8 ? -5.365 -1.517 -1.696 1.00 95.25 8 A 1 ATOM 57 C CB . VAL A 1 8 ? -8.373 -2.495 -2.738 1.00 95.27 8 A 1 ATOM 58 C CG1 . VAL A 1 8 ? -7.394 -2.757 -3.873 1.00 90.87 8 A 1 ATOM 59 C CG2 . VAL A 1 8 ? -9.338 -3.666 -2.616 1.00 90.61 8 A 1 ATOM 60 N N . TRP A 1 9 ? -6.986 0.046 -1.594 1.00 94.70 9 A 1 ATOM 61 C CA . TRP A 1 9 ? -6.046 1.161 -1.749 1.00 93.81 9 A 1 ATOM 62 C C . TRP A 1 9 ? -5.090 1.224 -0.567 1.00 94.70 9 A 1 ATOM 63 O O . TRP A 1 9 ? -3.900 1.484 -0.735 1.00 93.86 9 A 1 ATOM 64 C CB . TRP A 1 9 ? -6.821 2.474 -1.871 1.00 92.81 9 A 1 ATOM 65 C CG . TRP A 1 9 ? -7.330 2.689 -3.263 1.00 89.48 9 A 1 ATOM 66 C CD1 . TRP A 1 9 ? -8.616 2.932 -3.624 1.00 85.00 9 A 1 ATOM 67 C CD2 . TRP A 1 9 ? -6.556 2.691 -4.480 1.00 88.69 9 A 1 ATOM 68 N NE1 . TRP A 1 9 ? -8.689 3.088 -4.990 1.00 82.87 9 A 1 ATOM 69 C CE2 . TRP A 1 9 ? -7.437 2.937 -5.541 1.00 88.00 9 A 1 ATOM 70 C CE3 . TRP A 1 9 ? -5.198 2.517 -4.765 1.00 83.85 9 A 1 ATOM 71 C CZ2 . TRP A 1 9 ? -6.997 3.006 -6.867 1.00 85.26 9 A 1 ATOM 72 C CZ3 . TRP A 1 9 ? -4.766 2.584 -6.086 1.00 79.67 9 A 1 ATOM 73 C CH2 . TRP A 1 9 ? -5.666 2.826 -7.122 1.00 81.03 9 A 1 ATOM 74 N N . SER A 1 10 ? -5.605 0.988 0.622 1.00 96.20 10 A 1 ATOM 75 C CA . SER A 1 10 ? -4.789 1.009 1.833 1.00 96.11 10 A 1 ATOM 76 C C . SER A 1 10 ? -3.708 -0.070 1.767 1.00 96.55 10 A 1 ATOM 77 O O . SER A 1 10 ? -2.561 0.158 2.145 1.00 95.07 10 A 1 ATOM 78 C CB . SER A 1 10 ? -5.675 0.790 3.051 1.00 94.73 10 A 1 ATOM 79 O OG . SER A 1 10 ? -5.242 1.578 4.132 1.00 85.94 10 A 1 ATOM 80 N N . GLY A 1 11 ? -4.089 -1.241 1.285 1.00 95.97 11 A 1 ATOM 81 C CA . GLY A 1 11 ? -3.138 -2.345 1.147 1.00 96.26 11 A 1 ATOM 82 C C . GLY A 1 11 ? -2.090 -2.063 0.089 1.00 97.09 11 A 1 ATOM 83 O O . GLY A 1 11 ? -0.928 -2.445 0.231 1.00 96.34 11 A 1 ATOM 84 N N . TRP A 1 12 ? -2.514 -1.386 -0.983 1.00 96.40 12 A 1 ATOM 85 C CA . TRP A 1 12 ? -1.592 -1.028 -2.066 1.00 96.29 12 A 1 ATOM 86 C C . TRP A 1 12 ? -0.518 -0.069 -1.565 1.00 97.00 12 A 1 ATOM 87 O O . TRP A 1 12 ? 0.667 -0.259 -1.823 1.00 96.53 12 A 1 ATOM 88 C CB . TRP A 1 12 ? -2.372 -0.389 -3.212 1.00 95.49 12 A 1 ATOM 89 C CG . TRP A 1 12 ? -2.520 -1.321 -4.370 1.00 93.18 12 A 1 ATOM 90 C CD1 . TRP A 1 12 ? -3.654 -1.960 -4.758 1.00 89.87 12 A 1 ATOM 91 C CD2 . TRP A 1 12 ? -1.492 -1.726 -5.300 1.00 92.28 12 A 1 ATOM 92 N NE1 . TRP A 1 12 ? -3.395 -2.736 -5.871 1.00 88.19 12 A 1 ATOM 93 C CE2 . TRP A 1 12 ? -2.073 -2.614 -6.227 1.00 90.78 12 A 1 ATOM 94 C CE3 . TRP A 1 12 ? -0.138 -1.417 -5.437 1.00 89.18 12 A 1 ATOM 95 C CZ2 . TRP A 1 12 ? -1.339 -3.190 -7.266 1.00 89.72 12 A 1 ATOM 96 C CZ3 . TRP A 1 12 ? 0.590 -1.990 -6.471 1.00 87.36 12 A 1 ATOM 97 C CH2 . TRP A 1 12 ? -0.009 -2.868 -7.371 1.00 87.58 12 A 1 ATOM 98 N N . TRP A 1 13 ? -0.936 0.960 -0.834 1.00 96.05 13 A 1 ATOM 99 C CA . TRP A 1 13 ? 0.006 1.939 -0.295 1.00 95.71 13 A 1 ATOM 100 C C . TRP A 1 13 ? 0.943 1.293 0.715 1.00 96.51 13 A 1 ATOM 101 O O . TRP A 1 13 ? 2.115 1.647 0.794 1.00 95.96 13 A 1 ATOM 102 C CB . TRP A 1 13 ? -0.761 3.085 0.360 1.00 94.83 13 A 1 ATOM 103 C CG . TRP A 1 13 ? -1.087 4.159 -0.628 1.00 93.19 13 A 1 ATOM 104 C CD1 . TRP A 1 13 ? -2.321 4.667 -0.898 1.00 91.19 13 A 1 ATOM 105 C CD2 . TRP A 1 13 ? -0.166 4.864 -1.476 1.00 93.14 13 A 1 ATOM 106 N NE1 . TRP A 1 13 ? -2.221 5.642 -1.858 1.00 89.94 13 A 1 ATOM 107 C CE2 . TRP A 1 13 ? -0.907 5.785 -2.236 1.00 92.15 13 A 1 ATOM 108 C CE3 . TRP A 1 13 ? 1.221 4.809 -1.660 1.00 91.55 13 A 1 ATOM 109 C CZ2 . TRP A 1 13 ? -0.300 6.635 -3.170 1.00 91.48 13 A 1 ATOM 110 C CZ3 . TRP A 1 13 ? 1.823 5.656 -2.591 1.00 89.75 13 A 1 ATOM 111 C CH2 . TRP A 1 13 ? 1.063 6.556 -3.330 1.00 90.04 13 A 1 ATOM 112 N N . LEU A 1 14 ? 0.440 0.329 1.462 1.00 96.38 14 A 1 ATOM 113 C CA . LEU A 1 14 ? 1.249 -0.377 2.454 1.00 96.37 14 A 1 ATOM 114 C C . LEU A 1 14 ? 2.411 -1.102 1.785 1.00 97.02 14 A 1 ATOM 115 O O . LEU A 1 14 ? 3.449 -1.329 2.409 1.00 96.55 14 A 1 ATOM 116 C CB . LEU A 1 14 ? 0.374 -1.379 3.206 1.00 96.03 14 A 1 ATOM 117 C CG . LEU A 1 14 ? -0.435 -0.739 4.336 1.00 93.21 14 A 1 ATOM 118 C CD1 . LEU A 1 14 ? -1.523 -1.694 4.817 1.00 91.08 14 A 1 ATOM 119 C CD2 . LEU A 1 14 ? 0.488 -0.381 5.500 1.00 90.76 14 A 1 ATOM 120 N N . LEU A 1 15 ? 2.237 -1.463 0.525 1.00 96.49 15 A 1 ATOM 121 C CA . LEU A 1 15 ? 3.283 -2.152 -0.231 1.00 96.44 15 A 1 ATOM 122 C C . LEU A 1 15 ? 4.214 -1.156 -0.918 1.00 97.07 15 A 1 ATOM 123 O O . LEU A 1 15 ? 5.395 -1.438 -1.120 1.00 96.75 15 A 1 ATOM 124 C CB . LEU A 1 15 ? 2.639 -3.068 -1.273 1.00 96.23 15 A 1 ATOM 125 C CG . LEU A 1 15 ? 2.437 -4.494 -0.772 1.00 94.24 15 A 1 ATOM 126 C CD1 . LEU A 1 15 ? 1.076 -4.651 -0.100 1.00 91.80 15 A 1 ATOM 127 C CD2 . LEU A 1 15 ? 2.572 -5.472 -1.925 1.00 91.66 15 A 1 ATOM 128 N N . LEU A 1 16 ? 3.678 0.002 -1.276 1.00 96.73 16 A 1 ATOM 129 C CA . LEU A 1 16 ? 4.469 1.027 -1.961 1.00 96.62 16 A 1 ATOM 130 C C . LEU A 1 16 ? 5.200 1.931 -0.977 1.00 97.23 16 A 1 ATOM 131 O O . LEU A 1 16 ? 6.265 2.462 -1.293 1.00 97.14 16 A 1 ATOM 132 C CB . LEU A 1 16 ? 3.546 1.861 -2.852 1.00 96.35 16 A 1 ATOM 133 C CG . LEU A 1 16 ? 3.205 1.165 -4.170 1.00 93.79 16 A 1 ATOM 134 C CD1 . LEU A 1 16 ? 1.827 1.586 -4.659 1.00 91.47 16 A 1 ATOM 135 C CD2 . LEU A 1 16 ? 4.259 1.516 -5.217 1.00 91.41 16 A 1 ATOM 136 N N . LEU A 1 17 ? 4.624 2.111 0.203 1.00 96.66 17 A 1 ATOM 137 C CA . LEU A 1 17 ? 5.227 2.959 1.230 1.00 96.42 17 A 1 ATOM 138 C C . LEU A 1 17 ? 6.663 2.535 1.536 1.00 96.89 17 A 1 ATOM 139 O O . LEU A 1 17 ? 7.581 3.356 1.479 1.00 96.65 17 A 1 ATOM 140 C CB . LEU A 1 17 ? 4.382 2.909 2.506 1.00 95.92 17 A 1 ATOM 141 C CG . LEU A 1 17 ? 4.514 4.158 3.363 1.00 93.94 17 A 1 ATOM 142 C CD1 . LEU A 1 17 ? 3.185 4.904 3.430 1.00 91.76 17 A 1 ATOM 143 C CD2 . LEU A 1 17 ? 4.967 3.780 4.761 1.00 91.35 17 A 1 ATOM 144 N N . PRO A 1 18 ? 6.888 1.264 1.878 1.00 97.13 18 A 1 ATOM 145 C CA . PRO A 1 18 ? 8.242 0.790 2.188 1.00 96.79 18 A 1 ATOM 146 C C . PRO A 1 18 ? 9.167 0.868 0.985 1.00 97.28 18 A 1 ATOM 147 O O . PRO A 1 18 ? 10.366 1.121 1.130 1.00 96.44 18 A 1 ATOM 148 C CB . PRO A 1 18 ? 8.021 -0.670 2.606 1.00 95.84 18 A 1 ATOM 149 C CG . PRO A 1 18 ? 6.729 -1.057 1.979 1.00 95.33 18 A 1 ATOM 150 C CD . PRO A 1 18 ? 5.893 0.202 1.962 1.00 96.84 18 A 1 ATOM 151 N N . LEU A 1 19 ? 8.616 0.654 -0.195 1.00 96.79 19 A 1 ATOM 152 C CA . LEU A 1 19 ? 9.404 0.709 -1.427 1.00 96.67 19 A 1 ATOM 153 C C . LEU A 1 19 ? 9.912 2.123 -1.673 1.00 97.06 19 A 1 ATOM 154 O O . LEU A 1 19 ? 11.060 2.319 -2.083 1.00 96.76 19 A 1 ATOM 155 C CB . LEU A 1 19 ? 8.539 0.244 -2.602 1.00 96.44 19 A 1 ATOM 156 C CG . LEU A 1 19 ? 9.262 -0.706 -3.549 1.00 94.63 19 A 1 ATOM 157 C CD1 . LEU A 1 19 ? 8.269 -1.653 -4.213 1.00 92.01 19 A 1 ATOM 158 C CD2 . LEU A 1 19 ? 10.022 0.073 -4.604 1.00 91.79 19 A 1 ATOM 159 N N . LEU A 1 20 ? 9.053 3.106 -1.417 1.00 96.68 20 A 1 ATOM 160 C CA . LEU A 1 20 ? 9.423 4.504 -1.609 1.00 96.08 20 A 1 ATOM 161 C C . LEU A 1 20 ? 10.491 4.922 -0.607 1.00 96.29 20 A 1 ATOM 162 O O . LEU A 1 20 ? 11.436 5.629 -0.953 1.00 95.12 20 A 1 ATOM 163 C CB . LEU A 1 20 ? 8.179 5.385 -1.461 1.00 95.46 20 A 1 ATOM 164 C CG . LEU A 1 20 ? 8.146 6.541 -2.451 1.00 94.17 20 A 1 ATOM 165 C CD1 . LEU A 1 20 ? 6.729 6.761 -2.965 1.00 91.19 20 A 1 ATOM 166 C CD2 . LEU A 1 20 ? 8.668 7.808 -1.801 1.00 90.30 20 A 1 ATOM 167 N N . GLY A 1 21 ? 10.342 4.477 0.628 1.00 96.58 21 A 1 ATOM 168 C CA . GLY A 1 21 ? 11.312 4.803 1.669 1.00 96.15 21 A 1 ATOM 169 C C . GLY A 1 21 ? 12.676 4.216 1.371 1.00 96.71 21 A 1 ATOM 170 O O . GLY A 1 21 ? 13.704 4.839 1.628 1.00 95.93 21 A 1 ATOM 171 N N . LEU A 1 22 ? 12.688 3.010 0.821 1.00 96.46 22 A 1 ATOM 172 C CA . LEU A 1 22 ? 13.944 2.343 0.472 1.00 96.15 22 A 1 ATOM 173 C C . LEU A 1 22 ? 14.578 2.968 -0.761 1.00 96.28 22 A 1 ATOM 174 O O . LEU A 1 22 ? 15.789 3.183 -0.804 1.00 95.21 22 A 1 ATOM 175 C CB . LEU A 1 22 ? 13.676 0.858 0.218 1.00 95.38 22 A 1 ATOM 176 C CG . LEU A 1 22 ? 13.843 -0.002 1.466 1.00 92.45 22 A 1 ATOM 177 C CD1 . LEU A 1 22 ? 12.935 -1.215 1.413 1.00 89.29 22 A 1 ATOM 178 C CD2 . LEU A 1 22 ? 15.295 -0.432 1.601 1.00 87.60 22 A 1 ATOM 179 N N . ALA A 1 23 ? 13.766 3.249 -1.765 1.00 96.03 23 A 1 ATOM 180 C CA . ALA A 1 23 ? 14.258 3.855 -3.002 1.00 94.98 23 A 1 ATOM 181 C C . ALA A 1 23 ? 14.772 5.268 -2.758 1.00 95.02 23 A 1 ATOM 182 O O . ALA A 1 23 ? 15.733 5.706 -3.389 1.00 93.15 23 A 1 ATOM 183 C CB . ALA A 1 23 ? 13.146 3.873 -4.044 1.00 93.84 23 A 1 ATOM 184 N N . GLY A 1 24 ? 14.132 5.980 -1.845 1.00 93.95 24 A 1 ATOM 185 C CA . GLY A 1 24 ? 14.530 7.353 -1.531 1.00 91.83 24 A 1 ATOM 186 C C . GLY A 1 24 ? 15.688 7.411 -0.554 1.00 91.85 24 A 1 ATOM 187 O O . GLY A 1 24 ? 16.351 8.438 -0.421 1.00 89.47 24 A 1 ATOM 188 N N . ALA A 1 25 ? 15.940 6.324 0.135 1.00 93.91 25 A 1 ATOM 189 C CA . ALA A 1 25 ? 17.028 6.245 1.113 1.00 92.79 25 A 1 ATOM 190 C C . ALA A 1 25 ? 17.955 5.074 0.804 1.00 92.81 25 A 1 ATOM 191 O O . ALA A 1 25 ? 18.385 4.352 1.707 1.00 88.88 25 A 1 ATOM 192 C CB . ALA A 1 25 ? 16.444 6.107 2.516 1.00 90.77 25 A 1 ATOM 193 N N . SER A 1 26 ? 18.253 4.903 -0.473 1.00 90.92 26 A 1 ATOM 194 C CA . SER A 1 26 ? 19.115 3.805 -0.911 1.00 88.78 26 A 1 ATOM 195 C C . SER A 1 26 ? 20.551 4.297 -1.097 1.00 83.69 26 A 1 ATOM 196 O O . SER A 1 26 ? 21.461 3.473 -1.227 1.00 74.93 26 A 1 ATOM 197 C CB . SER A 1 26 ? 18.576 3.196 -2.203 1.00 82.88 26 A 1 ATOM 198 O OG . SER A 1 26 ? 19.198 1.954 -2.459 1.00 74.70 26 A 1 ATOM 199 O OXT . SER A 1 26 ? 20.759 5.534 -1.142 1.00 75.87 26 A 1 #