# 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_spkb24595 # _entry.id spkb24595 # 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" "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" "C6 H15 N2 O2" 147.195 LYS y LYSINE C(CC[NH3+])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" "C9 H11 N O3" 181.189 TYR y TYROSINE c1cc(ccc1C[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 TYR 3 1 n GLN 4 1 n LYS 5 1 n ILE 6 1 n VAL 7 1 n PHE 8 1 n VAL 9 1 n ALA 10 1 n LEU 11 1 n MET 12 1 n LEU 13 1 n VAL 14 1 n LEU 15 1 n ALA 16 1 n VAL 17 1 n SER 18 1 n ALA 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 @ 2025-07-08 07:32:43)" _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 95.62 _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 85.11 1 1 A ALA 2 2 95.46 1 2 A TYR 3 2 93.86 1 3 A GLN 4 2 94.80 1 4 A LYS 5 2 94.45 1 5 A ILE 6 2 97.30 1 6 A VAL 7 2 98.06 1 7 A PHE 8 2 96.12 1 8 A VAL 9 2 98.19 1 9 A ALA 10 2 98.65 1 10 A LEU 11 2 97.00 1 11 A MET 12 2 94.69 1 12 A LEU 13 2 96.81 1 13 A VAL 14 2 98.44 1 14 A LEU 15 2 96.34 1 15 A ALA 16 2 98.70 1 16 A VAL 17 2 97.33 1 17 A SER 18 2 96.50 1 18 A ALA 19 2 92.97 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 ALA . 2 A 2 A 3 1 n TYR . 3 A 3 A 4 1 n GLN . 4 A 4 A 5 1 n LYS . 5 A 5 A 6 1 n ILE . 6 A 6 A 7 1 n VAL . 7 A 7 A 8 1 n PHE . 8 A 8 A 9 1 n VAL . 9 A 9 A 10 1 n ALA . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n MET . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n VAL . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n ALA . 16 A 16 A 17 1 n VAL . 17 A 17 A 18 1 n SER . 18 A 18 A 19 1 n ALA . 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 ? -13.347 -0.784 3.156 1.00 91.66 1 A 1 ATOM 2 C CA . MET A 1 1 ? -12.504 -1.347 4.233 1.00 92.84 1 A 1 ATOM 3 C C . MET A 1 1 ? -11.426 -0.345 4.637 1.00 93.45 1 A 1 ATOM 4 O O . MET A 1 1 ? -10.836 0.304 3.778 1.00 91.40 1 A 1 ATOM 5 C CB . MET A 1 1 ? -11.846 -2.643 3.767 1.00 88.15 1 A 1 ATOM 6 C CG . MET A 1 1 ? -12.845 -3.792 3.702 1.00 81.23 1 A 1 ATOM 7 S SD . MET A 1 1 ? -12.222 -5.168 2.745 1.00 75.22 1 A 1 ATOM 8 C CE . MET A 1 1 ? -13.613 -6.285 2.854 1.00 66.93 1 A 1 ATOM 9 N N . ALA A 1 2 ? -11.197 -0.222 5.932 1.00 93.20 2 A 1 ATOM 10 C CA . ALA A 1 2 ? -10.230 0.745 6.447 1.00 96.08 2 A 1 ATOM 11 C C . ALA A 1 2 ? -8.791 0.278 6.253 1.00 97.16 2 A 1 ATOM 12 O O . ALA A 1 2 ? -7.879 1.092 6.106 1.00 96.50 2 A 1 ATOM 13 C CB . ALA A 1 2 ? -10.504 0.997 7.926 1.00 94.34 2 A 1 ATOM 14 N N . TYR A 1 3 ? -8.599 -1.034 6.249 1.00 97.02 3 A 1 ATOM 15 C CA . TYR A 1 3 ? -7.249 -1.589 6.113 1.00 97.59 3 A 1 ATOM 16 C C . TYR A 1 3 ? -6.651 -1.264 4.744 1.00 97.94 3 A 1 ATOM 17 O O . TYR A 1 3 ? -5.429 -1.174 4.600 1.00 97.64 3 A 1 ATOM 18 C CB . TYR A 1 3 ? -7.279 -3.103 6.356 1.00 96.99 3 A 1 ATOM 19 C CG . TYR A 1 3 ? -7.653 -3.909 5.131 1.00 94.05 3 A 1 ATOM 20 C CD1 . TYR A 1 3 ? -6.668 -4.320 4.231 1.00 92.02 3 A 1 ATOM 21 C CD2 . TYR A 1 3 ? -8.970 -4.266 4.883 1.00 91.10 3 A 1 ATOM 22 C CE1 . TYR A 1 3 ? -6.997 -5.067 3.106 1.00 90.87 3 A 1 ATOM 23 C CE2 . TYR A 1 3 ? -9.309 -5.013 3.753 1.00 90.85 3 A 1 ATOM 24 C CZ . TYR A 1 3 ? -8.313 -5.410 2.874 1.00 90.97 3 A 1 ATOM 25 O OH . TYR A 1 3 ? -8.643 -6.148 1.761 1.00 89.25 3 A 1 ATOM 26 N N . GLN A 1 4 ? -7.508 -1.094 3.752 1.00 97.98 4 A 1 ATOM 27 C CA . GLN A 1 4 ? -7.051 -0.772 2.400 1.00 98.27 4 A 1 ATOM 28 C C . GLN A 1 4 ? -6.302 0.556 2.391 1.00 98.42 4 A 1 ATOM 29 O O . GLN A 1 4 ? -5.300 0.714 1.695 1.00 98.12 4 A 1 ATOM 30 C CB . GLN A 1 4 ? -8.246 -0.714 1.444 1.00 97.98 4 A 1 ATOM 31 C CG . GLN A 1 4 ? -8.100 -1.727 0.309 1.00 95.68 4 A 1 ATOM 32 C CD . GLN A 1 4 ? -7.101 -1.275 -0.747 1.00 92.97 4 A 1 ATOM 33 O OE1 . GLN A 1 4 ? -6.867 -0.086 -0.924 1.00 87.38 4 A 1 ATOM 34 N NE2 . GLN A 1 4 ? -6.521 -2.218 -1.466 1.00 86.44 4 A 1 ATOM 35 N N . LYS A 1 5 ? -6.782 1.498 3.169 1.00 98.15 5 A 1 ATOM 36 C CA . LYS A 1 5 ? -6.138 2.811 3.270 1.00 98.37 5 A 1 ATOM 37 C C . LYS A 1 5 ? -4.760 2.673 3.913 1.00 98.49 5 A 1 ATOM 38 O O . LYS A 1 5 ? -3.792 3.286 3.467 1.00 98.38 5 A 1 ATOM 39 C CB . LYS A 1 5 ? -7.014 3.753 4.098 1.00 98.29 5 A 1 ATOM 40 C CG . LYS A 1 5 ? -8.009 4.530 3.255 1.00 96.03 5 A 1 ATOM 41 C CD . LYS A 1 5 ? -7.485 5.933 2.969 1.00 91.98 5 A 1 ATOM 42 C CE . LYS A 1 5 ? -8.550 6.812 2.335 1.00 88.59 5 A 1 ATOM 43 N NZ . LYS A 1 5 ? -8.079 8.220 2.203 1.00 81.73 5 A 1 ATOM 44 N N . ILE A 1 6 ? -4.687 1.871 4.954 1.00 98.30 6 A 1 ATOM 45 C CA . ILE A 1 6 ? -3.429 1.654 5.666 1.00 98.38 6 A 1 ATOM 46 C C . ILE A 1 6 ? -2.404 0.992 4.750 1.00 98.49 6 A 1 ATOM 47 O O . ILE A 1 6 ? -1.229 1.369 4.733 1.00 98.35 6 A 1 ATOM 48 C CB . ILE A 1 6 ? -3.660 0.783 6.915 1.00 98.29 6 A 1 ATOM 49 C CG1 . ILE A 1 6 ? -4.628 1.475 7.876 1.00 96.98 6 A 1 ATOM 50 C CG2 . ILE A 1 6 ? -2.330 0.515 7.615 1.00 96.60 6 A 1 ATOM 51 C CD1 . ILE A 1 6 ? -5.110 0.561 8.984 1.00 92.99 6 A 1 ATOM 52 N N . VAL A 1 7 ? -2.863 0.008 3.990 1.00 98.49 7 A 1 ATOM 53 C CA . VAL A 1 7 ? -1.980 -0.704 3.066 1.00 98.55 7 A 1 ATOM 54 C C . VAL A 1 7 ? -1.440 0.250 2.003 1.00 98.65 7 A 1 ATOM 55 O O . VAL A 1 7 ? -0.258 0.203 1.650 1.00 98.57 7 A 1 ATOM 56 C CB . VAL A 1 7 ? -2.726 -1.873 2.396 1.00 98.32 7 A 1 ATOM 57 C CG1 . VAL A 1 7 ? -1.851 -2.533 1.334 1.00 97.11 7 A 1 ATOM 58 C CG2 . VAL A 1 7 ? -3.137 -2.904 3.438 1.00 96.70 7 A 1 ATOM 59 N N . PHE A 1 8 ? -2.309 1.108 1.498 1.00 98.14 8 A 1 ATOM 60 C CA . PHE A 1 8 ? -1.915 2.080 0.484 1.00 98.18 8 A 1 ATOM 61 C C . PHE A 1 8 ? -0.870 3.044 1.039 1.00 98.38 8 A 1 ATOM 62 O O . PHE A 1 8 ? 0.125 3.350 0.379 1.00 98.32 8 A 1 ATOM 63 C CB . PHE A 1 8 ? -3.143 2.852 0.006 1.00 97.99 8 A 1 ATOM 64 C CG . PHE A 1 8 ? -2.846 3.713 -1.193 1.00 96.44 8 A 1 ATOM 65 C CD1 . PHE A 1 8 ? -2.645 3.142 -2.440 1.00 94.02 8 A 1 ATOM 66 C CD2 . PHE A 1 8 ? -2.763 5.089 -1.062 1.00 94.62 8 A 1 ATOM 67 C CE1 . PHE A 1 8 ? -2.367 3.929 -3.546 1.00 93.84 8 A 1 ATOM 68 C CE2 . PHE A 1 8 ? -2.482 5.889 -2.167 1.00 93.78 8 A 1 ATOM 69 C CZ . PHE A 1 8 ? -2.283 5.309 -3.409 1.00 93.56 8 A 1 ATOM 70 N N . VAL A 1 9 ? -1.106 3.509 2.246 1.00 98.58 9 A 1 ATOM 71 C CA . VAL A 1 9 ? -0.173 4.430 2.901 1.00 98.60 9 A 1 ATOM 72 C C . VAL A 1 9 ? 1.167 3.743 3.137 1.00 98.72 9 A 1 ATOM 73 O O . VAL A 1 9 ? 2.230 4.342 2.952 1.00 98.66 9 A 1 ATOM 74 C CB . VAL A 1 9 ? -0.744 4.932 4.239 1.00 98.37 9 A 1 ATOM 75 C CG1 . VAL A 1 9 ? 0.284 5.782 4.977 1.00 97.28 9 A 1 ATOM 76 C CG2 . VAL A 1 9 ? -2.012 5.741 3.997 1.00 97.12 9 A 1 ATOM 77 N N . ALA A 1 10 ? 1.101 2.491 3.549 1.00 98.67 10 A 1 ATOM 78 C CA . ALA A 1 10 ? 2.316 1.721 3.805 1.00 98.69 10 A 1 ATOM 79 C C . ALA A 1 10 ? 3.126 1.552 2.522 1.00 98.76 10 A 1 ATOM 80 O O . ALA A 1 10 ? 4.352 1.651 2.533 1.00 98.60 10 A 1 ATOM 81 C CB . ALA A 1 10 ? 1.946 0.357 4.378 1.00 98.55 10 A 1 ATOM 82 N N . LEU A 1 11 ? 2.432 1.303 1.428 1.00 98.69 11 A 1 ATOM 83 C CA . LEU A 1 11 ? 3.087 1.141 0.132 1.00 98.66 11 A 1 ATOM 84 C C . LEU A 1 11 ? 3.795 2.428 -0.274 1.00 98.74 11 A 1 ATOM 85 O O . LEU A 1 11 ? 4.930 2.402 -0.754 1.00 98.64 11 A 1 ATOM 86 C CB . LEU A 1 11 ? 2.048 0.761 -0.922 1.00 98.46 11 A 1 ATOM 87 C CG . LEU A 1 11 ? 2.668 0.307 -2.240 1.00 95.30 11 A 1 ATOM 88 C CD1 . LEU A 1 11 ? 3.208 -1.109 -2.122 1.00 93.52 11 A 1 ATOM 89 C CD2 . LEU A 1 11 ? 1.648 0.388 -3.360 1.00 94.02 11 A 1 ATOM 90 N N . MET A 1 12 ? 3.121 3.542 -0.080 1.00 98.44 12 A 1 ATOM 91 C CA . MET A 1 12 ? 3.699 4.849 -0.407 1.00 98.43 12 A 1 ATOM 92 C C . MET A 1 12 ? 4.920 5.128 0.461 1.00 98.59 12 A 1 ATOM 93 O O . MET A 1 12 ? 5.915 5.674 -0.009 1.00 98.36 12 A 1 ATOM 94 C CB . MET A 1 12 ? 2.652 5.946 -0.197 1.00 98.03 12 A 1 ATOM 95 C CG . MET A 1 12 ? 2.038 6.419 -1.501 1.00 95.37 12 A 1 ATOM 96 S SD . MET A 1 12 ? 2.143 8.208 -1.660 1.00 89.24 12 A 1 ATOM 97 C CE . MET A 1 12 ? 3.113 8.353 -3.154 1.00 81.03 12 A 1 ATOM 98 N N . LEU A 1 13 ? 4.830 4.735 1.717 1.00 98.70 13 A 1 ATOM 99 C CA . LEU A 1 13 ? 5.932 4.935 2.654 1.00 98.70 13 A 1 ATOM 100 C C . LEU A 1 13 ? 7.150 4.129 2.219 1.00 98.79 13 A 1 ATOM 101 O O . LEU A 1 13 ? 8.272 4.638 2.205 1.00 98.65 13 A 1 ATOM 102 C CB . LEU A 1 13 ? 5.501 4.517 4.058 1.00 98.51 13 A 1 ATOM 103 C CG . LEU A 1 13 ? 6.506 4.888 5.148 1.00 94.17 13 A 1 ATOM 104 C CD1 . LEU A 1 13 ? 6.480 6.389 5.410 1.00 93.04 13 A 1 ATOM 105 C CD2 . LEU A 1 13 ? 6.206 4.129 6.428 1.00 93.90 13 A 1 ATOM 106 N N . VAL A 1 14 ? 6.925 2.878 1.861 1.00 98.82 14 A 1 ATOM 107 C CA . VAL A 1 14 ? 8.009 2.005 1.417 1.00 98.79 14 A 1 ATOM 108 C C . VAL A 1 14 ? 8.650 2.556 0.151 1.00 98.81 14 A 1 ATOM 109 O O . VAL A 1 14 ? 9.877 2.537 0.003 1.00 98.60 14 A 1 ATOM 110 C CB . VAL A 1 14 ? 7.487 0.583 1.160 1.00 98.58 14 A 1 ATOM 111 C CG1 . VAL A 1 14 ? 8.584 -0.291 0.570 1.00 97.67 14 A 1 ATOM 112 C CG2 . VAL A 1 14 ? 6.972 -0.030 2.452 1.00 97.83 14 A 1 ATOM 113 N N . LEU A 1 15 ? 7.826 3.033 -0.747 1.00 98.70 15 A 1 ATOM 114 C CA . LEU A 1 15 ? 8.314 3.604 -1.999 1.00 98.60 15 A 1 ATOM 115 C C . LEU A 1 15 ? 9.152 4.850 -1.730 1.00 98.66 15 A 1 ATOM 116 O O . LEU A 1 15 ? 10.188 5.061 -2.366 1.00 98.37 15 A 1 ATOM 117 C CB . LEU A 1 15 ? 7.132 3.957 -2.900 1.00 98.30 15 A 1 ATOM 118 C CG . LEU A 1 15 ? 7.539 4.264 -4.339 1.00 94.01 15 A 1 ATOM 119 C CD1 . LEU A 1 15 ? 7.937 2.988 -5.067 1.00 91.84 15 A 1 ATOM 120 C CD2 . LEU A 1 15 ? 6.411 4.961 -5.071 1.00 92.22 15 A 1 ATOM 121 N N . ALA A 1 16 ? 8.699 5.665 -0.800 1.00 98.83 16 A 1 ATOM 122 C CA . ALA A 1 16 ? 9.408 6.890 -0.433 1.00 98.79 16 A 1 ATOM 123 C C . ALA A 1 16 ? 10.766 6.566 0.182 1.00 98.80 16 A 1 ATOM 124 O O . ALA A 1 16 ? 11.758 7.242 -0.086 1.00 98.52 16 A 1 ATOM 125 C CB . ALA A 1 16 ? 8.568 7.702 0.546 1.00 98.55 16 A 1 ATOM 126 N N . VAL A 1 17 ? 10.804 5.532 1.013 1.00 98.66 17 A 1 ATOM 127 C CA . VAL A 1 17 ? 12.053 5.117 1.658 1.00 98.56 17 A 1 ATOM 128 C C . VAL A 1 17 ? 13.014 4.528 0.633 1.00 98.57 17 A 1 ATOM 129 O O . VAL A 1 17 ? 14.235 4.672 0.752 1.00 97.97 17 A 1 ATOM 130 C CB . VAL A 1 17 ? 11.773 4.090 2.767 1.00 98.00 17 A 1 ATOM 131 C CG1 . VAL A 1 17 ? 13.080 3.565 3.349 1.00 94.36 17 A 1 ATOM 132 C CG2 . VAL A 1 17 ? 10.929 4.709 3.864 1.00 95.16 17 A 1 ATOM 133 N N . SER A 1 18 ? 12.458 3.862 -0.364 1.00 98.35 18 A 1 ATOM 134 C CA . SER A 1 18 ? 13.264 3.246 -1.417 1.00 98.16 18 A 1 ATOM 135 C C . SER A 1 18 ? 13.869 4.292 -2.348 1.00 98.00 18 A 1 ATOM 136 O O . SER A 1 18 ? 14.825 4.010 -3.075 1.00 96.52 18 A 1 ATOM 137 C CB . SER A 1 18 ? 12.408 2.274 -2.223 1.00 97.41 18 A 1 ATOM 138 O OG . SER A 1 18 ? 13.229 1.403 -2.965 1.00 90.54 18 A 1 ATOM 139 N N . ALA A 1 19 ? 13.312 5.481 -2.330 1.00 97.22 19 A 1 ATOM 140 C CA . ALA A 1 19 ? 13.777 6.564 -3.182 1.00 95.92 19 A 1 ATOM 141 C C . ALA A 1 19 ? 14.925 7.335 -2.528 1.00 94.50 19 A 1 ATOM 142 O O . ALA A 1 19 ? 15.330 7.000 -1.407 1.00 90.43 19 A 1 ATOM 143 C CB . ALA A 1 19 ? 12.614 7.494 -3.503 1.00 93.64 19 A 1 ATOM 144 O OXT . ALA A 1 19 ? 15.418 8.292 -3.125 1.00 86.10 19 A 1 #