# 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_spkb20645 # _entry.id spkb20645 # 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" "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 ARG 3 1 n LEU 4 1 n ALA 5 1 n GLY 6 1 n VAL 7 1 n ALA 8 1 n ALA 9 1 n LEU 10 1 n SER 11 1 n LEU 12 1 n VAL 13 1 n LEU 14 1 n VAL 15 1 n LEU 16 1 n LEU 17 1 n GLY 18 1 n ALA 19 1 n GLY 20 1 n VAL 21 1 n PRO 22 1 n ARG 23 1 n PRO 24 1 n ALA 25 1 n ALA 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 @ 2025-07-09 04:06:36)" _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 91.37 _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 85.03 1 1 A ALA 2 2 94.23 1 2 A ARG 3 2 87.95 1 3 A LEU 4 2 94.61 1 4 A ALA 5 2 97.56 1 5 A GLY 6 2 98.08 1 6 A VAL 7 2 97.03 1 7 A ALA 8 2 97.89 1 8 A ALA 9 2 97.98 1 9 A LEU 10 2 94.72 1 10 A SER 11 2 96.35 1 11 A LEU 12 2 95.05 1 12 A VAL 13 2 96.95 1 13 A LEU 14 2 94.47 1 14 A VAL 15 2 96.82 1 15 A LEU 16 2 95.52 1 16 A LEU 17 2 94.32 1 17 A GLY 18 2 94.50 1 18 A ALA 19 2 93.11 1 19 A GLY 20 2 90.82 1 20 A VAL 21 2 86.91 1 21 A PRO 22 2 87.83 1 22 A ARG 23 2 79.39 1 23 A PRO 24 2 87.25 1 24 A ALA 25 2 83.90 1 25 A ALA 26 2 83.26 1 26 A ALA 27 2 77.28 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 ALA . 2 A 2 A 3 1 n ARG . 3 A 3 A 4 1 n LEU . 4 A 4 A 5 1 n ALA . 5 A 5 A 6 1 n GLY . 6 A 6 A 7 1 n VAL . 7 A 7 A 8 1 n ALA . 8 A 8 A 9 1 n ALA . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n SER . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n VAL . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n VAL . 15 A 15 A 16 1 n LEU . 16 A 16 A 17 1 n LEU . 17 A 17 A 18 1 n GLY . 18 A 18 A 19 1 n ALA . 19 A 19 A 20 1 n GLY . 20 A 20 A 21 1 n VAL . 21 A 21 A 22 1 n PRO . 22 A 22 A 23 1 n ARG . 23 A 23 A 24 1 n PRO . 24 A 24 A 25 1 n ALA . 25 A 25 A 26 1 n ALA . 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 ? -23.558 -5.220 1.074 1.00 91.17 1 A 1 ATOM 2 C CA . MET A 1 1 ? -22.649 -4.407 1.916 1.00 92.34 1 A 1 ATOM 3 C C . MET A 1 1 ? -21.229 -4.529 1.371 1.00 93.25 1 A 1 ATOM 4 O O . MET A 1 1 ? -20.692 -5.630 1.362 1.00 89.96 1 A 1 ATOM 5 C CB . MET A 1 1 ? -22.681 -4.875 3.378 1.00 87.27 1 A 1 ATOM 6 C CG . MET A 1 1 ? -23.996 -4.526 4.082 1.00 82.27 1 A 1 ATOM 7 S SD . MET A 1 1 ? -23.945 -4.928 5.846 1.00 77.47 1 A 1 ATOM 8 C CE . MET A 1 1 ? -25.596 -4.386 6.349 1.00 66.48 1 A 1 ATOM 9 N N . ALA A 1 2 ? -20.617 -3.433 0.935 1.00 93.76 2 A 1 ATOM 10 C CA . ALA A 1 2 ? -19.276 -3.427 0.332 1.00 94.94 2 A 1 ATOM 11 C C . ALA A 1 2 ? -18.137 -3.372 1.378 1.00 95.76 2 A 1 ATOM 12 O O . ALA A 1 2 ? -17.067 -2.827 1.112 1.00 93.55 2 A 1 ATOM 13 C CB . ALA A 1 2 ? -19.217 -2.278 -0.672 1.00 93.12 2 A 1 ATOM 14 N N . ARG A 1 3 ? -18.357 -3.904 2.595 1.00 96.92 3 A 1 ATOM 15 C CA . ARG A 1 3 ? -17.373 -3.830 3.696 1.00 97.30 3 A 1 ATOM 16 C C . ARG A 1 3 ? -16.065 -4.546 3.355 1.00 97.81 3 A 1 ATOM 17 O O . ARG A 1 3 ? -14.994 -4.041 3.681 1.00 96.90 3 A 1 ATOM 18 C CB . ARG A 1 3 ? -17.970 -4.385 4.999 1.00 96.35 3 A 1 ATOM 19 C CG . ARG A 1 3 ? -19.101 -3.493 5.541 1.00 90.69 3 A 1 ATOM 20 C CD . ARG A 1 3 ? -19.557 -3.986 6.918 1.00 87.46 3 A 1 ATOM 21 N NE . ARG A 1 3 ? -20.631 -3.136 7.472 1.00 81.62 3 A 1 ATOM 22 C CZ . ARG A 1 3 ? -21.091 -3.176 8.717 1.00 79.39 3 A 1 ATOM 23 N NH1 . ARG A 1 3 ? -20.621 -4.018 9.601 1.00 70.60 3 A 1 ATOM 24 N NH2 . ARG A 1 3 ? -22.039 -2.368 9.094 1.00 72.38 3 A 1 ATOM 25 N N . LEU A 1 4 ? -16.133 -5.667 2.639 1.00 96.99 4 A 1 ATOM 26 C CA . LEU A 1 4 ? -14.943 -6.413 2.205 1.00 97.44 4 A 1 ATOM 27 C C . LEU A 1 4 ? -14.095 -5.602 1.218 1.00 97.87 4 A 1 ATOM 28 O O . LEU A 1 4 ? -12.869 -5.628 1.307 1.00 97.40 4 A 1 ATOM 29 C CB . LEU A 1 4 ? -15.372 -7.747 1.575 1.00 97.13 4 A 1 ATOM 30 C CG . LEU A 1 4 ? -16.044 -8.726 2.552 1.00 93.13 4 A 1 ATOM 31 C CD1 . LEU A 1 4 ? -16.505 -9.963 1.786 1.00 88.84 4 A 1 ATOM 32 C CD2 . LEU A 1 4 ? -15.102 -9.161 3.671 1.00 88.06 4 A 1 ATOM 33 N N . ALA A 1 5 ? -14.726 -4.831 0.330 1.00 97.78 5 A 1 ATOM 34 C CA . ALA A 1 5 ? -14.020 -3.932 -0.580 1.00 97.78 5 A 1 ATOM 35 C C . ALA A 1 5 ? -13.276 -2.820 0.179 1.00 97.89 5 A 1 ATOM 36 O O . ALA A 1 5 ? -12.154 -2.479 -0.182 1.00 97.19 5 A 1 ATOM 37 C CB . ALA A 1 5 ? -15.023 -3.361 -1.583 1.00 97.17 5 A 1 ATOM 38 N N . GLY A 1 6 ? -13.855 -2.308 1.265 1.00 98.11 6 A 1 ATOM 39 C CA . GLY A 1 6 ? -13.187 -1.342 2.140 1.00 98.06 6 A 1 ATOM 40 C C . GLY A 1 6 ? -11.939 -1.920 2.821 1.00 98.22 6 A 1 ATOM 41 O O . GLY A 1 6 ? -10.895 -1.273 2.838 1.00 97.92 6 A 1 ATOM 42 N N . VAL A 1 7 ? -12.015 -3.158 3.315 1.00 98.11 7 A 1 ATOM 43 C CA . VAL A 1 7 ? -10.861 -3.855 3.911 1.00 98.09 7 A 1 ATOM 44 C C . VAL A 1 7 ? -9.766 -4.098 2.870 1.00 98.17 7 A 1 ATOM 45 O O . VAL A 1 7 ? -8.589 -3.862 3.153 1.00 97.82 7 A 1 ATOM 46 C CB . VAL A 1 7 ? -11.294 -5.178 4.568 1.00 97.63 7 A 1 ATOM 47 C CG1 . VAL A 1 7 ? -10.102 -5.972 5.105 1.00 94.59 7 A 1 ATOM 48 C CG2 . VAL A 1 7 ? -12.243 -4.914 5.737 1.00 94.79 7 A 1 ATOM 49 N N . ALA A 1 8 ? -10.130 -4.509 1.655 1.00 98.07 8 A 1 ATOM 50 C CA . ALA A 1 8 ? -9.178 -4.705 0.563 1.00 97.97 8 A 1 ATOM 51 C C . ALA A 1 8 ? -8.484 -3.392 0.164 1.00 98.00 8 A 1 ATOM 52 O O . ALA A 1 8 ? -7.265 -3.371 -0.005 1.00 97.65 8 A 1 ATOM 53 C CB . ALA A 1 8 ? -9.916 -5.336 -0.621 1.00 97.74 8 A 1 ATOM 54 N N . ALA A 1 9 ? -9.226 -2.292 0.085 1.00 98.24 9 A 1 ATOM 55 C CA . ALA A 1 9 ? -8.670 -0.975 -0.205 1.00 98.13 9 A 1 ATOM 56 C C . ALA A 1 9 ? -7.698 -0.505 0.889 1.00 98.15 9 A 1 ATOM 57 O O . ALA A 1 9 ? -6.606 -0.035 0.577 1.00 97.49 9 A 1 ATOM 58 C CB . ALA A 1 9 ? -9.825 0.014 -0.393 1.00 97.88 9 A 1 ATOM 59 N N . LEU A 1 10 ? -8.057 -0.691 2.168 1.00 98.02 10 A 1 ATOM 60 C CA . LEU A 1 10 ? -7.172 -0.367 3.289 1.00 97.67 10 A 1 ATOM 61 C C . LEU A 1 10 ? -5.885 -1.196 3.243 1.00 97.78 10 A 1 ATOM 62 O O . LEU A 1 10 ? -4.795 -0.654 3.419 1.00 97.30 10 A 1 ATOM 63 C CB . LEU A 1 10 ? -7.928 -0.587 4.606 1.00 97.20 10 A 1 ATOM 64 C CG . LEU A 1 10 ? -7.096 -0.259 5.855 1.00 91.34 10 A 1 ATOM 65 C CD1 . LEU A 1 10 ? -6.681 1.209 5.913 1.00 89.22 10 A 1 ATOM 66 C CD2 . LEU A 1 10 ? -7.902 -0.594 7.109 1.00 89.24 10 A 1 ATOM 67 N N . SER A 1 11 ? -5.992 -2.495 2.961 1.00 97.38 11 A 1 ATOM 68 C CA . SER A 1 11 ? -4.840 -3.390 2.825 1.00 97.38 11 A 1 ATOM 69 C C . SER A 1 11 ? -3.912 -2.943 1.694 1.00 97.63 11 A 1 ATOM 70 O O . SER A 1 11 ? -2.697 -2.917 1.878 1.00 97.32 11 A 1 ATOM 71 C CB . SER A 1 11 ? -5.303 -4.828 2.580 1.00 97.06 11 A 1 ATOM 72 O OG . SER A 1 11 ? -6.130 -5.279 3.644 1.00 91.33 11 A 1 ATOM 73 N N . LEU A 1 12 ? -4.469 -2.520 0.554 1.00 97.70 12 A 1 ATOM 74 C CA . LEU A 1 12 ? -3.690 -1.984 -0.561 1.00 97.71 12 A 1 ATOM 75 C C . LEU A 1 12 ? -2.925 -0.717 -0.162 1.00 98.00 12 A 1 ATOM 76 O O . LEU A 1 12 ? -1.738 -0.601 -0.460 1.00 97.71 12 A 1 ATOM 77 C CB . LEU A 1 12 ? -4.631 -1.728 -1.748 1.00 97.43 12 A 1 ATOM 78 C CG . LEU A 1 12 ? -3.923 -1.164 -2.988 1.00 91.54 12 A 1 ATOM 79 C CD1 . LEU A 1 12 ? -2.895 -2.142 -3.557 1.00 90.11 12 A 1 ATOM 80 C CD2 . LEU A 1 12 ? -4.957 -0.850 -4.069 1.00 90.21 12 A 1 ATOM 81 N N . VAL A 1 13 ? -3.578 0.212 0.555 1.00 97.84 13 A 1 ATOM 82 C CA . VAL A 1 13 ? -2.930 1.434 1.053 1.00 97.64 13 A 1 ATOM 83 C C . VAL A 1 13 ? -1.769 1.094 1.992 1.00 97.90 13 A 1 ATOM 84 O O . VAL A 1 13 ? -0.682 1.654 1.843 1.00 97.49 13 A 1 ATOM 85 C CB . VAL A 1 13 ? -3.956 2.354 1.740 1.00 97.18 13 A 1 ATOM 86 C CG1 . VAL A 1 13 ? -3.298 3.536 2.457 1.00 95.41 13 A 1 ATOM 87 C CG2 . VAL A 1 13 ? -4.936 2.923 0.712 1.00 95.18 13 A 1 ATOM 88 N N . LEU A 1 14 ? -1.953 0.149 2.912 1.00 97.33 14 A 1 ATOM 89 C CA . LEU A 1 14 ? -0.898 -0.282 3.830 1.00 97.03 14 A 1 ATOM 90 C C . LEU A 1 14 ? 0.292 -0.908 3.088 1.00 97.39 14 A 1 ATOM 91 O O . LEU A 1 14 ? 1.440 -0.618 3.428 1.00 97.00 14 A 1 ATOM 92 C CB . LEU A 1 14 ? -1.482 -1.273 4.851 1.00 96.48 14 A 1 ATOM 93 C CG . LEU A 1 14 ? -2.466 -0.644 5.857 1.00 90.88 14 A 1 ATOM 94 C CD1 . LEU A 1 14 ? -3.122 -1.750 6.685 1.00 90.11 14 A 1 ATOM 95 C CD2 . LEU A 1 14 ? -1.777 0.337 6.806 1.00 89.52 14 A 1 ATOM 96 N N . VAL A 1 15 ? 0.041 -1.711 2.051 1.00 97.55 15 A 1 ATOM 97 C CA . VAL A 1 15 ? 1.100 -2.280 1.205 1.00 97.52 15 A 1 ATOM 98 C C . VAL A 1 15 ? 1.871 -1.178 0.474 1.00 97.85 15 A 1 ATOM 99 O O . VAL A 1 15 ? 3.101 -1.201 0.467 1.00 97.46 15 A 1 ATOM 100 C CB . VAL A 1 15 ? 0.512 -3.303 0.217 1.00 97.14 15 A 1 ATOM 101 C CG1 . VAL A 1 15 ? 1.524 -3.748 -0.843 1.00 95.24 15 A 1 ATOM 102 C CG2 . VAL A 1 15 ? 0.051 -4.560 0.958 1.00 94.97 15 A 1 ATOM 103 N N . LEU A 1 16 ? 1.182 -0.189 -0.086 1.00 97.35 16 A 1 ATOM 104 C CA . LEU A 1 16 ? 1.815 0.932 -0.778 1.00 97.22 16 A 1 ATOM 105 C C . LEU A 1 16 ? 2.668 1.781 0.175 1.00 97.30 16 A 1 ATOM 106 O O . LEU A 1 16 ? 3.790 2.150 -0.172 1.00 96.66 16 A 1 ATOM 107 C CB . LEU A 1 16 ? 0.732 1.792 -1.454 1.00 97.10 16 A 1 ATOM 108 C CG . LEU A 1 16 ? 0.047 1.113 -2.656 1.00 94.43 16 A 1 ATOM 109 C CD1 . LEU A 1 16 ? -1.145 1.957 -3.106 1.00 92.36 16 A 1 ATOM 110 C CD2 . LEU A 1 16 ? 1.002 0.940 -3.838 1.00 91.72 16 A 1 ATOM 111 N N . LEU A 1 17 ? 2.180 2.038 1.396 1.00 97.09 17 A 1 ATOM 112 C CA . LEU A 1 17 ? 2.938 2.745 2.428 1.00 96.63 17 A 1 ATOM 113 C C . LEU A 1 17 ? 4.182 1.952 2.857 1.00 96.39 17 A 1 ATOM 114 O O . LEU A 1 17 ? 5.260 2.531 2.991 1.00 94.67 17 A 1 ATOM 115 C CB . LEU A 1 17 ? 2.024 3.017 3.634 1.00 96.25 17 A 1 ATOM 116 C CG . LEU A 1 17 ? 0.931 4.076 3.384 1.00 93.44 17 A 1 ATOM 117 C CD1 . LEU A 1 17 ? -0.030 4.108 4.573 1.00 90.65 17 A 1 ATOM 118 C CD2 . LEU A 1 17 ? 1.517 5.472 3.193 1.00 89.47 17 A 1 ATOM 119 N N . GLY A 1 18 ? 4.055 0.637 3.023 1.00 95.74 18 A 1 ATOM 120 C CA . GLY A 1 18 ? 5.181 -0.242 3.350 1.00 94.78 18 A 1 ATOM 121 C C . GLY A 1 18 ? 6.212 -0.357 2.229 1.00 94.70 18 A 1 ATOM 122 O O . GLY A 1 18 ? 7.407 -0.472 2.501 1.00 92.79 18 A 1 ATOM 123 N N . ALA A 1 19 ? 5.783 -0.288 0.969 1.00 95.08 19 A 1 ATOM 124 C CA . ALA A 1 19 ? 6.684 -0.286 -0.185 1.00 94.01 19 A 1 ATOM 125 C C . ALA A 1 19 ? 7.414 1.057 -0.366 1.00 93.87 19 A 1 ATOM 126 O O . ALA A 1 19 ? 8.513 1.093 -0.923 1.00 90.05 19 A 1 ATOM 127 C CB . ALA A 1 19 ? 5.867 -0.647 -1.433 1.00 92.54 19 A 1 ATOM 128 N N . GLY A 1 20 ? 6.819 2.155 0.112 1.00 92.32 20 A 1 ATOM 129 C CA . GLY A 1 20 ? 7.388 3.504 0.064 1.00 90.87 20 A 1 ATOM 130 C C . GLY A 1 20 ? 8.312 3.837 1.237 1.00 91.28 20 A 1 ATOM 131 O O . GLY A 1 20 ? 8.538 5.017 1.500 1.00 88.80 20 A 1 ATOM 132 N N . VAL A 1 21 ? 8.826 2.847 1.970 1.00 90.75 21 A 1 ATOM 133 C CA . VAL A 1 21 ? 9.746 3.101 3.089 1.00 89.97 21 A 1 ATOM 134 C C . VAL A 1 21 ? 10.984 3.866 2.605 1.00 90.16 21 A 1 ATOM 135 O O . VAL A 1 21 ? 11.558 3.521 1.564 1.00 87.76 21 A 1 ATOM 136 C CB . VAL A 1 21 ? 10.161 1.815 3.834 1.00 87.51 21 A 1 ATOM 137 C CG1 . VAL A 1 21 ? 8.989 1.282 4.645 1.00 80.26 21 A 1 ATOM 138 C CG2 . VAL A 1 21 ? 10.685 0.718 2.921 1.00 81.99 21 A 1 ATOM 139 N N . PRO A 1 22 ? 11.402 4.925 3.342 1.00 90.45 22 A 1 ATOM 140 C CA . PRO A 1 22 ? 12.595 5.675 2.995 1.00 89.27 22 A 1 ATOM 141 C C . PRO A 1 22 ? 13.807 4.748 3.042 1.00 89.70 22 A 1 ATOM 142 O O . PRO A 1 22 ? 14.097 4.108 4.059 1.00 86.22 22 A 1 ATOM 143 C CB . PRO A 1 22 ? 12.671 6.821 4.011 1.00 86.46 22 A 1 ATOM 144 C CG . PRO A 1 22 ? 11.869 6.319 5.204 1.00 84.67 22 A 1 ATOM 145 C CD . PRO A 1 22 ? 10.812 5.419 4.568 1.00 88.01 22 A 1 ATOM 146 N N . ARG A 1 23 ? 14.534 4.653 1.925 1.00 88.16 23 A 1 ATOM 147 C CA . ARG A 1 23 ? 15.814 3.948 1.892 1.00 88.43 23 A 1 ATOM 148 C C . ARG A 1 23 ? 16.820 4.723 2.737 1.00 89.32 23 A 1 ATOM 149 O O . ARG A 1 23 ? 16.768 5.955 2.748 1.00 87.36 23 A 1 ATOM 150 C CB . ARG A 1 23 ? 16.304 3.768 0.450 1.00 85.95 23 A 1 ATOM 151 C CG . ARG A 1 23 ? 15.381 2.820 -0.323 1.00 79.62 23 A 1 ATOM 152 C CD . ARG A 1 23 ? 15.930 2.575 -1.725 1.00 77.45 23 A 1 ATOM 153 N NE . ARG A 1 23 ? 15.030 1.695 -2.482 1.00 74.47 23 A 1 ATOM 154 C CZ . ARG A 1 23 ? 15.132 1.401 -3.766 1.00 70.71 23 A 1 ATOM 155 N NH1 . ARG A 1 23 ? 16.101 1.874 -4.503 1.00 65.14 23 A 1 ATOM 156 N NH2 . ARG A 1 23 ? 14.251 0.624 -4.329 1.00 66.72 23 A 1 ATOM 157 N N . PRO A 1 24 ? 17.734 4.046 3.445 1.00 89.15 24 A 1 ATOM 158 C CA . PRO A 1 24 ? 18.835 4.732 4.100 1.00 88.50 24 A 1 ATOM 159 C C . PRO A 1 24 ? 19.600 5.539 3.053 1.00 89.07 24 A 1 ATOM 160 O O . PRO A 1 24 ? 20.048 4.998 2.039 1.00 85.99 24 A 1 ATOM 161 C CB . PRO A 1 24 ? 19.676 3.626 4.753 1.00 86.17 24 A 1 ATOM 162 C CG . PRO A 1 24 ? 19.319 2.367 3.980 1.00 84.70 24 A 1 ATOM 163 C CD . PRO A 1 24 ? 17.875 2.609 3.545 1.00 87.19 24 A 1 ATOM 164 N N . ALA A 1 25 ? 19.708 6.848 3.282 1.00 86.29 25 A 1 ATOM 165 C CA . ALA A 1 25 ? 20.468 7.757 2.433 1.00 84.50 25 A 1 ATOM 166 C C . ALA A 1 25 ? 21.965 7.528 2.681 1.00 84.87 25 A 1 ATOM 167 O O . ALA A 1 25 ? 22.640 8.347 3.292 1.00 81.92 25 A 1 ATOM 168 C CB . ALA A 1 25 ? 20.009 9.195 2.705 1.00 81.93 25 A 1 ATOM 169 N N . ALA A 1 26 ? 22.465 6.373 2.243 1.00 85.58 26 A 1 ATOM 170 C CA . ALA A 1 26 ? 23.891 6.059 2.198 1.00 84.15 26 A 1 ATOM 171 C C . ALA A 1 26 ? 24.518 6.623 0.910 1.00 84.13 26 A 1 ATOM 172 O O . ALA A 1 26 ? 25.289 5.948 0.240 1.00 80.58 26 A 1 ATOM 173 C CB . ALA A 1 26 ? 24.076 4.540 2.359 1.00 81.87 26 A 1 ATOM 174 N N . ALA A 1 27 ? 24.106 7.839 0.524 1.00 84.32 27 A 1 ATOM 175 C CA . ALA A 1 27 ? 24.679 8.578 -0.595 1.00 81.37 27 A 1 ATOM 176 C C . ALA A 1 27 ? 25.917 9.354 -0.138 1.00 78.87 27 A 1 ATOM 177 O O . ALA A 1 27 ? 25.936 9.818 1.020 1.00 74.18 27 A 1 ATOM 178 C CB . ALA A 1 27 ? 23.611 9.478 -1.215 1.00 75.72 27 A 1 ATOM 179 O OXT . ALA A 1 27 ? 26.864 9.485 -0.963 1.00 69.20 27 A 1 #