# 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_spkb14907 # _entry.id spkb14907 # 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" "C3 H7 N O2 S" 121.158 CYS y CYSTEINE C([C@@H](C(=O)O)N)S ? "L-PEPTIDE LINKING" "C5 H9 N O4" 147.129 GLU y "GLUTAMIC ACID" C(CC(=O)O)[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 H10 N3 O2" 156.162 HIS y HISTIDINE c1c([nH+]c[nH]1)C[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" "C4 H9 N O3" 119.119 THR y THREONINE C[C@H]([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 MET 3 1 n LYS 4 1 n THR 5 1 n SER 6 1 n HIS 7 1 n VAL 8 1 n LEU 9 1 n LEU 10 1 n LEU 11 1 n CYS 12 1 n LEU 13 1 n MET 14 1 n PHE 15 1 n VAL 16 1 n ILE 17 1 n GLY 18 1 n PHE 19 1 n VAL 20 1 n GLU 21 1 n ALA 22 # _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 @ 2025-07-04 23:55:01)" _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 89.27 _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 73.49 1 1 A ALA 2 2 83.48 1 2 A MET 3 2 77.06 1 3 A LYS 4 2 81.88 1 4 A THR 5 2 89.48 1 5 A SER 6 2 91.63 1 6 A HIS 7 2 85.69 1 7 A VAL 8 2 95.09 1 8 A LEU 9 2 92.52 1 9 A LEU 10 2 92.17 1 10 A LEU 11 2 92.50 1 11 A CYS 12 2 94.02 1 12 A LEU 13 2 92.27 1 13 A MET 14 2 90.75 1 14 A PHE 15 2 92.60 1 15 A VAL 16 2 95.67 1 16 A ILE 17 2 94.96 1 17 A GLY 18 2 96.15 1 18 A PHE 19 2 92.24 1 19 A VAL 20 2 94.17 1 20 A GLU 21 2 85.13 1 21 A ALA 22 2 85.20 1 22 # _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 MET . 3 A 3 A 4 1 n LYS . 4 A 4 A 5 1 n THR . 5 A 5 A 6 1 n SER . 6 A 6 A 7 1 n HIS . 7 A 7 A 8 1 n VAL . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n CYS . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n MET . 14 A 14 A 15 1 n PHE . 15 A 15 A 16 1 n VAL . 16 A 16 A 17 1 n ILE . 17 A 17 A 18 1 n GLY . 18 A 18 A 19 1 n PHE . 19 A 19 A 20 1 n VAL . 20 A 20 A 21 1 n GLU . 21 A 21 A 22 1 n ALA . 22 A 22 # _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 ? 1.184 5.689 -19.545 1.00 79.39 1 A 1 ATOM 2 C CA . MET A 1 1 ? 1.753 4.730 -18.569 1.00 82.73 1 A 1 ATOM 3 C C . MET A 1 1 ? 1.284 5.109 -17.168 1.00 84.72 1 A 1 ATOM 4 O O . MET A 1 1 ? 1.769 6.090 -16.620 1.00 77.73 1 A 1 ATOM 5 C CB . MET A 1 1 ? 3.291 4.718 -18.659 1.00 74.97 1 A 1 ATOM 6 C CG . MET A 1 1 ? 3.812 3.555 -19.506 1.00 67.91 1 A 1 ATOM 7 S SD . MET A 1 1 ? 5.592 3.664 -19.793 1.00 63.37 1 A 1 ATOM 8 C CE . MET A 1 1 ? 5.986 1.942 -20.116 1.00 57.08 1 A 1 ATOM 9 N N . ALA A 1 2 ? 0.327 4.381 -16.597 1.00 80.55 2 A 1 ATOM 10 C CA . ALA A 1 2 ? -0.303 4.667 -15.302 1.00 85.79 2 A 1 ATOM 11 C C . ALA A 1 2 ? 0.502 4.101 -14.112 1.00 87.58 2 A 1 ATOM 12 O O . ALA A 1 2 ? -0.061 3.538 -13.181 1.00 83.45 2 A 1 ATOM 13 C CB . ALA A 1 2 ? -1.736 4.143 -15.358 1.00 80.01 2 A 1 ATOM 14 N N . MET A 1 3 ? 1.828 4.204 -14.150 1.00 83.78 3 A 1 ATOM 15 C CA . MET A 1 3 ? 2.713 3.556 -13.164 1.00 86.64 3 A 1 ATOM 16 C C . MET A 1 3 ? 2.641 4.215 -11.779 1.00 87.94 3 A 1 ATOM 17 O O . MET A 1 3 ? 2.786 3.542 -10.761 1.00 83.08 3 A 1 ATOM 18 C CB . MET A 1 3 ? 4.143 3.541 -13.730 1.00 80.43 3 A 1 ATOM 19 C CG . MET A 1 3 ? 4.988 2.418 -13.128 1.00 71.69 3 A 1 ATOM 20 S SD . MET A 1 3 ? 6.565 2.231 -14.003 1.00 63.60 3 A 1 ATOM 21 C CE . MET A 1 3 ? 7.225 0.774 -13.186 1.00 59.30 3 A 1 ATOM 22 N N . LYS A 1 4 ? 2.352 5.530 -11.715 1.00 89.51 4 A 1 ATOM 23 C CA . LYS A 1 4 ? 2.260 6.267 -10.447 1.00 91.64 4 A 1 ATOM 24 C C . LYS A 1 4 ? 1.032 5.866 -9.627 1.00 92.09 4 A 1 ATOM 25 O O . LYS A 1 4 ? 1.141 5.690 -8.419 1.00 90.27 4 A 1 ATOM 26 C CB . LYS A 1 4 ? 2.283 7.781 -10.698 1.00 88.49 4 A 1 ATOM 27 C CG . LYS A 1 4 ? 3.670 8.268 -11.141 1.00 78.85 4 A 1 ATOM 28 C CD . LYS A 1 4 ? 3.716 9.796 -11.216 1.00 75.89 4 A 1 ATOM 29 C CE . LYS A 1 4 ? 5.120 10.276 -11.572 1.00 68.31 4 A 1 ATOM 30 N NZ . LYS A 1 4 ? 5.218 11.767 -11.588 1.00 61.83 4 A 1 ATOM 31 N N . THR A 1 5 ? -0.118 5.677 -10.260 1.00 92.46 5 A 1 ATOM 32 C CA . THR A 1 5 ? -1.373 5.322 -9.580 1.00 93.95 5 A 1 ATOM 33 C C . THR A 1 5 ? -1.304 3.928 -8.963 1.00 94.78 5 A 1 ATOM 34 O O . THR A 1 5 ? -1.751 3.740 -7.834 1.00 93.34 5 A 1 ATOM 35 C CB . THR A 1 5 ? -2.551 5.403 -10.557 1.00 92.06 5 A 1 ATOM 36 O OG1 . THR A 1 5 ? -2.442 6.576 -11.343 1.00 81.34 5 A 1 ATOM 37 C CG2 . THR A 1 5 ? -3.891 5.448 -9.841 1.00 78.42 5 A 1 ATOM 38 N N . SER A 1 6 ? -0.688 2.963 -9.636 1.00 94.13 6 A 1 ATOM 39 C CA . SER A 1 6 ? -0.506 1.606 -9.117 1.00 94.70 6 A 1 ATOM 40 C C . SER A 1 6 ? 0.418 1.570 -7.895 1.00 95.55 6 A 1 ATOM 41 O O . SER A 1 6 ? 0.149 0.835 -6.952 1.00 94.73 6 A 1 ATOM 42 C CB . SER A 1 6 ? 0.048 0.691 -10.206 1.00 92.62 6 A 1 ATOM 43 O OG . SER A 1 6 ? -0.787 0.735 -11.351 1.00 78.04 6 A 1 ATOM 44 N N . HIS A 1 7 ? 1.474 2.398 -7.860 1.00 92.54 7 A 1 ATOM 45 C CA . HIS A 1 7 ? 2.362 2.498 -6.699 1.00 93.59 7 A 1 ATOM 46 C C . HIS A 1 7 ? 1.652 3.095 -5.485 1.00 95.23 7 A 1 ATOM 47 O O . HIS A 1 7 ? 1.814 2.585 -4.378 1.00 94.43 7 A 1 ATOM 48 C CB . HIS A 1 7 ? 3.593 3.336 -7.047 1.00 92.01 7 A 1 ATOM 49 C CG . HIS A 1 7 ? 4.681 2.517 -7.669 1.00 86.57 7 A 1 ATOM 50 N ND1 . HIS A 1 7 ? 4.761 2.136 -8.987 1.00 74.40 7 A 1 ATOM 51 C CD2 . HIS A 1 7 ? 5.779 1.990 -7.041 1.00 74.65 7 A 1 ATOM 52 C CE1 . HIS A 1 7 ? 5.876 1.403 -9.143 1.00 76.07 7 A 1 ATOM 53 N NE2 . HIS A 1 7 ? 6.522 1.295 -7.986 1.00 77.44 7 A 1 ATOM 54 N N . VAL A 1 8 ? 0.838 4.134 -5.671 1.00 96.02 8 A 1 ATOM 55 C CA . VAL A 1 8 ? 0.052 4.738 -4.586 1.00 96.67 8 A 1 ATOM 56 C C . VAL A 1 8 ? -0.957 3.736 -4.033 1.00 97.07 8 A 1 ATOM 57 O O . VAL A 1 8 ? -1.063 3.592 -2.819 1.00 96.67 8 A 1 ATOM 58 C CB . VAL A 1 8 ? -0.639 6.023 -5.060 1.00 96.21 8 A 1 ATOM 59 C CG1 . VAL A 1 8 ? -1.581 6.594 -4.001 1.00 91.47 8 A 1 ATOM 60 C CG2 . VAL A 1 8 ? 0.404 7.096 -5.378 1.00 91.55 8 A 1 ATOM 61 N N . LEU A 1 9 ? -1.646 2.994 -4.897 1.00 96.70 9 A 1 ATOM 62 C CA . LEU A 1 9 ? -2.598 1.965 -4.480 1.00 96.41 9 A 1 ATOM 63 C C . LEU A 1 9 ? -1.917 0.851 -3.672 1.00 96.80 9 A 1 ATOM 64 O O . LEU A 1 9 ? -2.442 0.433 -2.645 1.00 96.94 9 A 1 ATOM 65 C CB . LEU A 1 9 ? -3.287 1.396 -5.730 1.00 96.23 9 A 1 ATOM 66 C CG . LEU A 1 9 ? -4.538 0.570 -5.391 1.00 87.07 9 A 1 ATOM 67 C CD1 . LEU A 1 9 ? -5.714 1.476 -5.036 1.00 84.43 9 A 1 ATOM 68 C CD2 . LEU A 1 9 ? -4.930 -0.284 -6.597 1.00 85.55 9 A 1 ATOM 69 N N . LEU A 1 10 ? -0.737 0.403 -4.093 1.00 96.28 10 A 1 ATOM 70 C CA . LEU A 1 10 ? 0.049 -0.608 -3.384 1.00 96.08 10 A 1 ATOM 71 C C . LEU A 1 10 ? 0.492 -0.113 -2.004 1.00 96.45 10 A 1 ATOM 72 O O . LEU A 1 10 ? 0.369 -0.845 -1.027 1.00 96.67 10 A 1 ATOM 73 C CB . LEU A 1 10 ? 1.254 -0.996 -4.254 1.00 95.68 10 A 1 ATOM 74 C CG . LEU A 1 10 ? 2.082 -2.155 -3.673 1.00 86.58 10 A 1 ATOM 75 C CD1 . LEU A 1 10 ? 1.318 -3.475 -3.716 1.00 84.27 10 A 1 ATOM 76 C CD2 . LEU A 1 10 ? 3.368 -2.311 -4.482 1.00 85.39 10 A 1 ATOM 77 N N . LEU A 1 11 ? 0.956 1.133 -1.900 1.00 96.51 11 A 1 ATOM 78 C CA . LEU A 1 11 ? 1.330 1.749 -0.625 1.00 96.14 11 A 1 ATOM 79 C C . LEU A 1 11 ? 0.133 1.862 0.320 1.00 96.56 11 A 1 ATOM 80 O O . LEU A 1 11 ? 0.263 1.535 1.499 1.00 96.55 11 A 1 ATOM 81 C CB . LEU A 1 11 ? 1.936 3.138 -0.891 1.00 95.67 11 A 1 ATOM 82 C CG . LEU A 1 11 ? 3.389 3.089 -1.388 1.00 87.63 11 A 1 ATOM 83 C CD1 . LEU A 1 11 ? 3.795 4.461 -1.924 1.00 85.28 11 A 1 ATOM 84 C CD2 . LEU A 1 11 ? 4.355 2.718 -0.261 1.00 85.69 11 A 1 ATOM 85 N N . CYS A 1 12 ? -1.039 2.259 -0.176 1.00 94.96 12 A 1 ATOM 86 C CA . CYS A 1 12 ? -2.267 2.296 0.614 1.00 95.41 12 A 1 ATOM 87 C C . CYS A 1 12 ? -2.653 0.901 1.118 1.00 95.72 12 A 1 ATOM 88 O O . CYS A 1 12 ? -3.024 0.762 2.273 1.00 95.13 12 A 1 ATOM 89 C CB . CYS A 1 12 ? -3.402 2.891 -0.228 1.00 95.14 12 A 1 ATOM 90 S SG . CYS A 1 12 ? -3.155 4.670 -0.476 1.00 87.76 12 A 1 ATOM 91 N N . LEU A 1 13 ? -2.529 -0.128 0.282 1.00 96.42 13 A 1 ATOM 92 C CA . LEU A 1 13 ? -2.828 -1.505 0.673 1.00 96.22 13 A 1 ATOM 93 C C . LEU A 1 13 ? -1.895 -1.983 1.792 1.00 96.56 13 A 1 ATOM 94 O O . LEU A 1 13 ? -2.363 -2.521 2.792 1.00 96.14 13 A 1 ATOM 95 C CB . LEU A 1 13 ? -2.718 -2.411 -0.567 1.00 95.68 13 A 1 ATOM 96 C CG . LEU A 1 13 ? -3.442 -3.750 -0.365 1.00 87.51 13 A 1 ATOM 97 C CD1 . LEU A 1 13 ? -4.907 -3.640 -0.788 1.00 84.41 13 A 1 ATOM 98 C CD2 . LEU A 1 13 ? -2.782 -4.848 -1.203 1.00 85.19 13 A 1 ATOM 99 N N . MET A 1 14 ? -0.591 -1.747 1.663 1.00 95.77 14 A 1 ATOM 100 C CA . MET A 1 14 ? 0.402 -2.090 2.688 1.00 95.49 14 A 1 ATOM 101 C C . MET A 1 14 ? 0.152 -1.336 3.993 1.00 95.89 14 A 1 ATOM 102 O O . MET A 1 14 ? 0.248 -1.916 5.072 1.00 94.89 14 A 1 ATOM 103 C CB . MET A 1 14 ? 1.810 -1.781 2.158 1.00 94.66 14 A 1 ATOM 104 C CG . MET A 1 14 ? 2.204 -2.741 1.024 1.00 91.46 14 A 1 ATOM 105 S SD . MET A 1 14 ? 2.510 -4.432 1.571 1.00 83.33 14 A 1 ATOM 106 C CE . MET A 1 14 ? 1.996 -5.345 0.114 1.00 74.53 14 A 1 ATOM 107 N N . PHE A 1 15 ? -0.236 -0.060 3.909 1.00 95.72 15 A 1 ATOM 108 C CA . PHE A 1 15 ? -0.580 0.742 5.081 1.00 95.72 15 A 1 ATOM 109 C C . PHE A 1 15 ? -1.816 0.197 5.800 1.00 96.26 15 A 1 ATOM 110 O O . PHE A 1 15 ? -1.801 0.077 7.021 1.00 95.44 15 A 1 ATOM 111 C CB . PHE A 1 15 ? -0.785 2.193 4.645 1.00 95.44 15 A 1 ATOM 112 C CG . PHE A 1 15 ? -1.018 3.119 5.813 1.00 93.05 15 A 1 ATOM 113 C CD1 . PHE A 1 15 ? -2.323 3.475 6.196 1.00 89.88 15 A 1 ATOM 114 C CD2 . PHE A 1 15 ? 0.082 3.595 6.547 1.00 90.23 15 A 1 ATOM 115 C CE1 . PHE A 1 15 ? -2.531 4.305 7.307 1.00 88.82 15 A 1 ATOM 116 C CE2 . PHE A 1 15 ? -0.126 4.424 7.660 1.00 88.89 15 A 1 ATOM 117 C CZ . PHE A 1 15 ? -1.430 4.778 8.042 1.00 89.13 15 A 1 ATOM 118 N N . VAL A 1 16 ? -2.865 -0.183 5.070 1.00 96.94 16 A 1 ATOM 119 C CA . VAL A 1 16 ? -4.083 -0.767 5.650 1.00 96.74 16 A 1 ATOM 120 C C . VAL A 1 16 ? -3.778 -2.102 6.331 1.00 96.84 16 A 1 ATOM 121 O O . VAL A 1 16 ? -4.237 -2.317 7.450 1.00 95.67 16 A 1 ATOM 122 C CB . VAL A 1 16 ? -5.180 -0.921 4.580 1.00 95.90 16 A 1 ATOM 123 C CG1 . VAL A 1 16 ? -6.385 -1.728 5.071 1.00 93.62 16 A 1 ATOM 124 C CG2 . VAL A 1 16 ? -5.709 0.453 4.157 1.00 93.95 16 A 1 ATOM 125 N N . ILE A 1 17 ? -2.985 -2.970 5.720 1.00 96.68 17 A 1 ATOM 126 C CA . ILE A 1 17 ? -2.588 -4.251 6.316 1.00 96.32 17 A 1 ATOM 127 C C . ILE A 1 17 ? -1.820 -4.013 7.620 1.00 96.54 17 A 1 ATOM 128 O O . ILE A 1 17 ? -2.179 -4.584 8.647 1.00 95.52 17 A 1 ATOM 129 C CB . ILE A 1 17 ? -1.778 -5.090 5.306 1.00 95.78 17 A 1 ATOM 130 C CG1 . ILE A 1 17 ? -2.678 -5.535 4.128 1.00 94.32 17 A 1 ATOM 131 C CG2 . ILE A 1 17 ? -1.168 -6.334 5.986 1.00 93.82 17 A 1 ATOM 132 C CD1 . ILE A 1 17 ? -1.893 -6.034 2.912 1.00 90.73 17 A 1 ATOM 133 N N . GLY A 1 18 ? -0.822 -3.130 7.603 1.00 96.36 18 A 1 ATOM 134 C CA . GLY A 1 18 ? -0.054 -2.792 8.803 1.00 96.02 18 A 1 ATOM 135 C C . GLY A 1 18 ? -0.897 -2.145 9.902 1.00 96.56 18 A 1 ATOM 136 O O . GLY A 1 18 ? -0.662 -2.396 11.078 1.00 95.67 18 A 1 ATOM 137 N N . PHE A 1 19 ? -1.907 -1.346 9.539 1.00 96.12 19 A 1 ATOM 138 C CA . PHE A 1 19 ? -2.815 -0.723 10.506 1.00 96.02 19 A 1 ATOM 139 C C . PHE A 1 19 ? -3.778 -1.734 11.140 1.00 96.11 19 A 1 ATOM 140 O O . PHE A 1 19 ? -4.095 -1.611 12.314 1.00 94.76 19 A 1 ATOM 141 C CB . PHE A 1 19 ? -3.587 0.401 9.807 1.00 95.48 19 A 1 ATOM 142 C CG . PHE A 1 19 ? -4.437 1.218 10.752 1.00 92.76 19 A 1 ATOM 143 C CD1 . PHE A 1 19 ? -5.797 0.916 10.927 1.00 88.90 19 A 1 ATOM 144 C CD2 . PHE A 1 19 ? -3.851 2.255 11.492 1.00 89.51 19 A 1 ATOM 145 C CE1 . PHE A 1 19 ? -6.574 1.649 11.837 1.00 88.36 19 A 1 ATOM 146 C CE2 . PHE A 1 19 ? -4.623 2.988 12.406 1.00 88.68 19 A 1 ATOM 147 C CZ . PHE A 1 19 ? -5.982 2.685 12.578 1.00 87.92 19 A 1 ATOM 148 N N . VAL A 1 20 ? -4.245 -2.730 10.384 1.00 96.44 20 A 1 ATOM 149 C CA . VAL A 1 20 ? -5.134 -3.787 10.902 1.00 96.15 20 A 1 ATOM 150 C C . VAL A 1 20 ? -4.376 -4.768 11.805 1.00 95.80 20 A 1 ATOM 151 O O . VAL A 1 20 ? -4.974 -5.333 12.722 1.00 94.55 20 A 1 ATOM 152 C CB . VAL A 1 20 ? -5.824 -4.511 9.729 1.00 95.10 20 A 1 ATOM 153 C CG1 . VAL A 1 20 ? -6.589 -5.768 10.146 1.00 90.46 20 A 1 ATOM 154 C CG2 . VAL A 1 20 ? -6.841 -3.583 9.054 1.00 90.66 20 A 1 ATOM 155 N N . GLU A 1 21 ? -3.088 -4.964 11.566 1.00 94.26 21 A 1 ATOM 156 C CA . GLU A 1 21 ? -2.234 -5.829 12.391 1.00 93.66 21 A 1 ATOM 157 C C . GLU A 1 21 ? -1.754 -5.143 13.689 1.00 92.31 21 A 1 ATOM 158 O O . GLU A 1 21 ? -1.315 -5.822 14.613 1.00 87.03 21 A 1 ATOM 159 C CB . GLU A 1 21 ? -1.055 -6.307 11.519 1.00 91.46 21 A 1 ATOM 160 C CG . GLU A 1 21 ? -0.344 -7.535 12.099 1.00 82.83 21 A 1 ATOM 161 C CD . GLU A 1 21 ? 0.774 -8.059 11.188 1.00 78.48 21 A 1 ATOM 162 O OE1 . GLU A 1 21 ? 1.885 -8.321 11.703 1.00 72.27 21 A 1 ATOM 163 O OE2 . GLU A 1 21 ? 0.528 -8.220 9.975 1.00 73.89 21 A 1 ATOM 164 N N . ALA A 1 22 ? -1.848 -3.808 13.775 1.00 92.73 22 A 1 ATOM 165 C CA . ALA A 1 22 ? -1.435 -3.013 14.930 1.00 91.52 22 A 1 ATOM 166 C C . ALA A 1 22 ? -2.502 -2.926 16.030 1.00 87.03 22 A 1 ATOM 167 O O . ALA A 1 22 ? -3.709 -2.947 15.713 1.00 80.21 22 A 1 ATOM 168 C CB . ALA A 1 22 ? -1.001 -1.625 14.455 1.00 86.43 22 A 1 ATOM 169 O OXT . ALA A 1 22 ? -2.114 -2.806 17.215 1.00 73.30 22 A 1 #