# 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_spkb22243 # _entry.id spkb22243 # 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" "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" "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 THR 3 1 n ILE 4 1 n LEU 5 1 n VAL 6 1 n LEU 7 1 n THR 8 1 n THR 9 1 n PHE 10 1 n LEU 11 1 n SER 12 1 n ALA 13 1 n TRP 14 1 n PHE 15 1 n LEU 16 1 n ALA 17 1 n VAL 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 @ 2025-07-09 04:46:07)" _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 94.64 _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 88.19 1 1 A GLN 2 2 87.37 1 2 A THR 3 2 95.48 1 3 A ILE 4 2 94.33 1 4 A LEU 5 2 94.69 1 5 A VAL 6 2 96.90 1 6 A LEU 7 2 95.43 1 7 A THR 8 2 96.42 1 8 A THR 9 2 96.87 1 9 A PHE 10 2 94.90 1 10 A LEU 11 2 95.31 1 11 A SER 12 2 96.80 1 12 A ALA 13 2 98.38 1 13 A TRP 14 2 95.38 1 14 A PHE 15 2 95.46 1 15 A LEU 16 2 96.53 1 16 A ALA 17 2 98.11 1 17 A VAL 18 2 95.04 1 18 A GLY 19 2 88.32 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 THR . 3 A 3 A 4 1 n ILE . 4 A 4 A 5 1 n LEU . 5 A 5 A 6 1 n VAL . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n THR . 8 A 8 A 9 1 n THR . 9 A 9 A 10 1 n PHE . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n SER . 12 A 12 A 13 1 n ALA . 13 A 13 A 14 1 n TRP . 14 A 14 A 15 1 n PHE . 15 A 15 A 16 1 n LEU . 16 A 16 A 17 1 n ALA . 17 A 17 A 18 1 n VAL . 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 ? -9.519 -1.739 12.905 1.00 94.83 1 A 1 ATOM 2 C CA . MET A 1 1 ? -9.328 -1.239 11.527 1.00 94.78 1 A 1 ATOM 3 C C . MET A 1 1 ? -7.836 -1.111 11.194 1.00 94.80 1 A 1 ATOM 4 O O . MET A 1 1 ? -7.400 -0.110 10.634 1.00 92.64 1 A 1 ATOM 5 C CB . MET A 1 1 ? -10.012 0.119 11.358 1.00 91.56 1 A 1 ATOM 6 C CG . MET A 1 1 ? -11.489 0.084 11.675 1.00 85.41 1 A 1 ATOM 7 S SD . MET A 1 1 ? -12.243 1.687 11.356 1.00 80.65 1 A 1 ATOM 8 C CE . MET A 1 1 ? -13.678 1.580 12.389 1.00 70.88 1 A 1 ATOM 9 N N . GLN A 1 2 ? -7.062 -2.108 11.536 1.00 94.99 2 A 1 ATOM 10 C CA . GLN A 1 2 ? -5.610 -2.055 11.336 1.00 96.06 2 A 1 ATOM 11 C C . GLN A 1 2 ? -5.233 -2.330 9.878 1.00 97.06 2 A 1 ATOM 12 O O . GLN A 1 2 ? -4.200 -1.864 9.404 1.00 95.14 2 A 1 ATOM 13 C CB . GLN A 1 2 ? -4.939 -3.056 12.272 1.00 93.49 2 A 1 ATOM 14 C CG . GLN A 1 2 ? -5.109 -2.683 13.742 1.00 84.36 2 A 1 ATOM 15 C CD . GLN A 1 2 ? -3.775 -2.603 14.467 1.00 80.61 2 A 1 ATOM 16 O OE1 . GLN A 1 2 ? -2.898 -1.845 14.092 1.00 73.78 2 A 1 ATOM 17 N NE2 . GLN A 1 2 ? -3.593 -3.398 15.497 1.00 70.81 2 A 1 ATOM 18 N N . THR A 1 3 ? -6.085 -3.060 9.156 1.00 97.26 3 A 1 ATOM 19 C CA . THR A 1 3 ? -5.826 -3.398 7.755 1.00 97.72 3 A 1 ATOM 20 C C . THR A 1 3 ? -5.716 -2.149 6.885 1.00 98.11 3 A 1 ATOM 21 O O . THR A 1 3 ? -4.875 -2.091 5.989 1.00 97.40 3 A 1 ATOM 22 C CB . THR A 1 3 ? -6.941 -4.301 7.219 1.00 96.74 3 A 1 ATOM 23 O OG1 . THR A 1 3 ? -7.256 -5.295 8.180 1.00 91.49 3 A 1 ATOM 24 C CG2 . THR A 1 3 ? -6.531 -4.984 5.931 1.00 89.64 3 A 1 ATOM 25 N N . ILE A 1 4 ? -6.529 -1.142 7.157 1.00 97.24 4 A 1 ATOM 26 C CA . ILE A 1 4 ? -6.500 0.112 6.398 1.00 97.41 4 A 1 ATOM 27 C C . ILE A 1 4 ? -5.166 0.831 6.603 1.00 97.85 4 A 1 ATOM 28 O O . ILE A 1 4 ? -4.594 1.367 5.653 1.00 97.43 4 A 1 ATOM 29 C CB . ILE A 1 4 ? -7.690 1.009 6.792 1.00 96.85 4 A 1 ATOM 30 C CG1 . ILE A 1 4 ? -9.017 0.316 6.439 1.00 92.29 4 A 1 ATOM 31 C CG2 . ILE A 1 4 ? -7.595 2.363 6.075 1.00 90.63 4 A 1 ATOM 32 C CD1 . ILE A 1 4 ? -10.232 1.034 7.008 1.00 84.98 4 A 1 ATOM 33 N N . LEU A 1 5 ? -4.647 0.818 7.818 1.00 97.09 5 A 1 ATOM 34 C CA . LEU A 1 5 ? -3.353 1.425 8.123 1.00 97.27 5 A 1 ATOM 35 C C . LEU A 1 5 ? -2.232 0.732 7.347 1.00 97.74 5 A 1 ATOM 36 O O . LEU A 1 5 ? -1.342 1.391 6.813 1.00 97.53 5 A 1 ATOM 37 C CB . LEU A 1 5 ? -3.078 1.359 9.628 1.00 96.81 5 A 1 ATOM 38 C CG . LEU A 1 5 ? -3.558 2.590 10.406 1.00 92.52 5 A 1 ATOM 39 C CD1 . LEU A 1 5 ? -5.076 2.605 10.551 1.00 89.71 5 A 1 ATOM 40 C CD2 . LEU A 1 5 ? -2.916 2.613 11.783 1.00 88.87 5 A 1 ATOM 41 N N . VAL A 1 6 ? -2.294 -0.586 7.276 1.00 97.69 6 A 1 ATOM 42 C CA . VAL A 1 6 ? -1.293 -1.367 6.545 1.00 97.83 6 A 1 ATOM 43 C C . VAL A 1 6 ? -1.356 -1.053 5.050 1.00 98.05 6 A 1 ATOM 44 O O . VAL A 1 6 ? -0.320 -0.864 4.409 1.00 97.75 6 A 1 ATOM 45 C CB . VAL A 1 6 ? -1.486 -2.873 6.803 1.00 97.30 6 A 1 ATOM 46 C CG1 . VAL A 1 6 ? -0.503 -3.699 5.986 1.00 94.79 6 A 1 ATOM 47 C CG2 . VAL A 1 6 ? -1.290 -3.192 8.282 1.00 94.92 6 A 1 ATOM 48 N N . LEU A 1 7 ? -2.561 -0.967 4.494 1.00 97.92 7 A 1 ATOM 49 C CA . LEU A 1 7 ? -2.731 -0.612 3.084 1.00 97.92 7 A 1 ATOM 50 C C . LEU A 1 7 ? -2.205 0.798 2.801 1.00 98.09 7 A 1 ATOM 51 O O . LEU A 1 7 ? -1.547 1.021 1.785 1.00 97.89 7 A 1 ATOM 52 C CB . LEU A 1 7 ? -4.206 -0.715 2.688 1.00 97.70 7 A 1 ATOM 53 C CG . LEU A 1 7 ? -4.567 -2.040 2.014 1.00 92.96 7 A 1 ATOM 54 C CD1 . LEU A 1 7 ? -4.768 -3.147 3.043 1.00 90.50 7 A 1 ATOM 55 C CD2 . LEU A 1 7 ? -5.831 -1.879 1.188 1.00 90.43 7 A 1 ATOM 56 N N . THR A 1 8 ? -2.469 1.719 3.693 1.00 98.06 8 A 1 ATOM 57 C CA . THR A 1 8 ? -2.024 3.104 3.533 1.00 98.03 8 A 1 ATOM 58 C C . THR A 1 8 ? -0.498 3.197 3.559 1.00 98.23 8 A 1 ATOM 59 O O . THR A 1 8 ? 0.092 3.896 2.732 1.00 97.83 8 A 1 ATOM 60 C CB . THR A 1 8 ? -2.627 3.988 4.631 1.00 97.49 8 A 1 ATOM 61 O OG1 . THR A 1 8 ? -4.034 3.854 4.642 1.00 93.53 8 A 1 ATOM 62 C CG2 . THR A 1 8 ? -2.312 5.457 4.398 1.00 91.74 8 A 1 ATOM 63 N N . THR A 1 9 ? 0.142 2.483 4.466 1.00 98.16 9 A 1 ATOM 64 C CA . THR A 1 9 ? 1.605 2.506 4.548 1.00 98.09 9 A 1 ATOM 65 C C . THR A 1 9 ? 2.231 1.850 3.319 1.00 98.26 9 A 1 ATOM 66 O O . THR A 1 9 ? 3.251 2.313 2.817 1.00 97.87 9 A 1 ATOM 67 C CB . THR A 1 9 ? 2.091 1.860 5.860 1.00 97.68 9 A 1 ATOM 68 O OG1 . THR A 1 9 ? 3.436 2.260 6.091 1.00 94.77 9 A 1 ATOM 69 C CG2 . THR A 1 9 ? 2.055 0.349 5.852 1.00 93.24 9 A 1 ATOM 70 N N . PHE A 1 10 ? 1.603 0.801 2.798 1.00 97.71 10 A 1 ATOM 71 C CA . PHE A 1 10 ? 2.074 0.130 1.591 1.00 97.55 10 A 1 ATOM 72 C C . PHE A 1 10 ? 1.967 1.053 0.379 1.00 97.78 10 A 1 ATOM 73 O O . PHE A 1 10 ? 2.903 1.151 -0.418 1.00 97.34 10 A 1 ATOM 74 C CB . PHE A 1 10 ? 1.261 -1.145 1.380 1.00 97.25 10 A 1 ATOM 75 C CG . PHE A 1 10 ? 1.831 -2.010 0.289 1.00 95.14 10 A 1 ATOM 76 C CD1 . PHE A 1 10 ? 3.007 -2.727 0.508 1.00 92.16 10 A 1 ATOM 77 C CD2 . PHE A 1 10 ? 1.197 -2.099 -0.945 1.00 92.77 10 A 1 ATOM 78 C CE1 . PHE A 1 10 ? 3.548 -3.520 -0.497 1.00 91.89 10 A 1 ATOM 79 C CE2 . PHE A 1 10 ? 1.736 -2.890 -1.957 1.00 91.74 10 A 1 ATOM 80 C CZ . PHE A 1 10 ? 2.913 -3.600 -1.732 1.00 92.53 10 A 1 ATOM 81 N N . LEU A 1 11 ? 0.851 1.749 0.260 1.00 97.61 11 A 1 ATOM 82 C CA . LEU A 1 11 ? 0.648 2.701 -0.830 1.00 97.36 11 A 1 ATOM 83 C C . LEU A 1 11 ? 1.655 3.853 -0.746 1.00 97.70 11 A 1 ATOM 84 O O . LEU A 1 11 ? 2.194 4.282 -1.765 1.00 97.66 11 A 1 ATOM 85 C CB . LEU A 1 11 ? -0.787 3.234 -0.767 1.00 97.04 11 A 1 ATOM 86 C CG . LEU A 1 11 ? -1.265 3.825 -2.091 1.00 93.42 11 A 1 ATOM 87 C CD1 . LEU A 1 11 ? -1.654 2.718 -3.065 1.00 90.51 11 A 1 ATOM 88 C CD2 . LEU A 1 11 ? -2.460 4.736 -1.858 1.00 91.15 11 A 1 ATOM 89 N N . SER A 1 12 ? 1.930 4.323 0.448 1.00 98.12 12 A 1 ATOM 90 C CA . SER A 1 12 ? 2.901 5.393 0.667 1.00 98.08 12 A 1 ATOM 91 C C . SER A 1 12 ? 4.312 4.940 0.293 1.00 98.22 12 A 1 ATOM 92 O O . SER A 1 12 ? 5.059 5.682 -0.344 1.00 97.66 12 A 1 ATOM 93 C CB . SER A 1 12 ? 2.847 5.834 2.126 1.00 97.47 12 A 1 ATOM 94 O OG . SER A 1 12 ? 3.498 7.065 2.287 1.00 91.25 12 A 1 ATOM 95 N N . ALA A 1 13 ? 4.664 3.709 0.647 1.00 98.42 13 A 1 ATOM 96 C CA . ALA A 1 13 ? 5.967 3.147 0.296 1.00 98.46 13 A 1 ATOM 97 C C . ALA A 1 13 ? 6.117 3.020 -1.223 1.00 98.58 13 A 1 ATOM 98 O O . ALA A 1 13 ? 7.177 3.319 -1.772 1.00 98.21 13 A 1 ATOM 99 C CB . ALA A 1 13 ? 6.129 1.790 0.975 1.00 98.21 13 A 1 ATOM 100 N N . TRP A 1 14 ? 5.066 2.582 -1.907 1.00 98.17 14 A 1 ATOM 101 C CA . TRP A 1 14 ? 5.053 2.497 -3.369 1.00 98.10 14 A 1 ATOM 102 C C . TRP A 1 14 ? 5.235 3.879 -3.998 1.00 98.26 14 A 1 ATOM 103 O O . TRP A 1 14 ? 6.036 4.042 -4.919 1.00 97.98 14 A 1 ATOM 104 C CB . TRP A 1 14 ? 3.744 1.858 -3.829 1.00 97.90 14 A 1 ATOM 105 C CG . TRP A 1 14 ? 3.530 1.978 -5.304 1.00 97.07 14 A 1 ATOM 106 C CD1 . TRP A 1 14 ? 2.684 2.850 -5.917 1.00 93.97 14 A 1 ATOM 107 C CD2 . TRP A 1 14 ? 4.185 1.241 -6.357 1.00 95.31 14 A 1 ATOM 108 N NE1 . TRP A 1 14 ? 2.770 2.699 -7.290 1.00 92.74 14 A 1 ATOM 109 C CE2 . TRP A 1 14 ? 3.684 1.718 -7.601 1.00 94.85 14 A 1 ATOM 110 C CE3 . TRP A 1 14 ? 5.155 0.224 -6.379 1.00 94.24 14 A 1 ATOM 111 C CZ2 . TRP A 1 14 ? 4.122 1.208 -8.830 1.00 94.47 14 A 1 ATOM 112 C CZ3 . TRP A 1 14 ? 5.587 -0.286 -7.602 1.00 91.13 14 A 1 ATOM 113 C CH2 . TRP A 1 14 ? 5.076 0.202 -8.813 1.00 91.13 14 A 1 ATOM 114 N N . PHE A 1 15 ? 4.521 4.869 -3.484 1.00 98.36 15 A 1 ATOM 115 C CA . PHE A 1 15 ? 4.618 6.238 -3.988 1.00 98.31 15 A 1 ATOM 116 C C . PHE A 1 15 ? 6.037 6.790 -3.819 1.00 98.41 15 A 1 ATOM 117 O O . PHE A 1 15 ? 6.558 7.451 -4.717 1.00 98.14 15 A 1 ATOM 118 C CB . PHE A 1 15 ? 3.605 7.113 -3.247 1.00 98.04 15 A 1 ATOM 119 C CG . PHE A 1 15 ? 3.384 8.439 -3.926 1.00 95.74 15 A 1 ATOM 120 C CD1 . PHE A 1 15 ? 4.134 9.556 -3.564 1.00 92.57 15 A 1 ATOM 121 C CD2 . PHE A 1 15 ? 2.436 8.554 -4.939 1.00 93.39 15 A 1 ATOM 122 C CE1 . PHE A 1 15 ? 3.938 10.778 -4.204 1.00 92.37 15 A 1 ATOM 123 C CE2 . PHE A 1 15 ? 2.242 9.776 -5.582 1.00 92.21 15 A 1 ATOM 124 C CZ . PHE A 1 15 ? 2.992 10.887 -5.214 1.00 92.54 15 A 1 ATOM 125 N N . LEU A 1 16 ? 6.678 6.492 -2.703 1.00 98.45 16 A 1 ATOM 126 C CA . LEU A 1 16 ? 8.056 6.914 -2.453 1.00 98.34 16 A 1 ATOM 127 C C . LEU A 1 16 ? 9.048 6.168 -3.342 1.00 98.37 16 A 1 ATOM 128 O O . LEU A 1 16 ? 10.075 6.728 -3.724 1.00 97.91 16 A 1 ATOM 129 C CB . LEU A 1 16 ? 8.385 6.688 -0.972 1.00 98.04 16 A 1 ATOM 130 C CG . LEU A 1 16 ? 7.991 7.887 -0.102 1.00 95.99 16 A 1 ATOM 131 C CD1 . LEU A 1 16 ? 7.624 7.444 1.305 1.00 92.68 16 A 1 ATOM 132 C CD2 . LEU A 1 16 ? 9.146 8.884 -0.038 1.00 92.48 16 A 1 ATOM 133 N N . ALA A 1 17 ? 8.754 4.915 -3.668 1.00 98.40 17 A 1 ATOM 134 C CA . ALA A 1 17 ? 9.631 4.115 -4.520 1.00 98.32 17 A 1 ATOM 135 C C . ALA A 1 17 ? 9.598 4.596 -5.975 1.00 98.35 17 A 1 ATOM 136 O O . ALA A 1 17 ? 10.615 4.536 -6.668 1.00 97.65 17 A 1 ATOM 137 C CB . ALA A 1 17 ? 9.227 2.645 -4.422 1.00 97.85 17 A 1 ATOM 138 N N . VAL A 1 18 ? 8.443 5.057 -6.439 1.00 97.88 18 A 1 ATOM 139 C CA . VAL A 1 18 ? 8.280 5.547 -7.814 1.00 97.35 18 A 1 ATOM 140 C C . VAL A 1 18 ? 8.694 7.015 -7.940 1.00 97.21 18 A 1 ATOM 141 O O . VAL A 1 18 ? 9.170 7.438 -9.001 1.00 95.00 18 A 1 ATOM 142 C CB . VAL A 1 18 ? 6.827 5.338 -8.290 1.00 96.05 18 A 1 ATOM 143 C CG1 . VAL A 1 18 ? 6.625 5.837 -9.716 1.00 91.06 18 A 1 ATOM 144 C CG2 . VAL A 1 18 ? 6.452 3.864 -8.245 1.00 90.75 18 A 1 ATOM 145 N N . GLY A 1 19 ? 8.515 7.776 -6.879 1.00 94.85 19 A 1 ATOM 146 C CA . GLY A 1 19 ? 8.840 9.195 -6.860 1.00 91.23 19 A 1 ATOM 147 C C . GLY A 1 19 ? 10.300 9.481 -6.552 1.00 87.02 19 A 1 ATOM 148 O O . GLY A 1 19 ? 11.009 8.592 -6.063 1.00 82.11 19 A 1 ATOM 149 O OXT . GLY A 1 19 ? 10.729 10.648 -6.777 1.00 86.38 19 A 1 #