# 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_spkb35967 # _entry.id spkb35967 # 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" "C4 H8 N2 O3" 132.118 ASN y ASPARAGINE C([C@@H](C(=O)O)N)C(=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" "C5 H9 N O4" 147.129 GLU y "GLUTAMIC ACID" C(CC(=O)O)[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" "C5 H9 N O2" 115.130 PRO y PROLINE C1C[C@H](NC1)C(=O)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 ASN 2 1 n ARG 3 1 n LYS 4 1 n LEU 5 1 n LEU 6 1 n LEU 7 1 n VAL 8 1 n PHE 9 1 n LEU 10 1 n VAL 11 1 n VAL 12 1 n ALA 13 1 n MET 14 1 n LEU 15 1 n VAL 16 1 n MET 17 1 n GLN 18 1 n PRO 19 1 n ALA 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 17:34:40)" _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 90.91 _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 82.59 1 1 A ASN 2 2 89.62 1 2 A ARG 3 2 83.35 1 3 A LYS 4 2 90.62 1 4 A LEU 5 2 92.99 1 5 A LEU 6 2 94.34 1 6 A LEU 7 2 94.79 1 7 A VAL 8 2 97.69 1 8 A PHE 9 2 94.62 1 9 A LEU 10 2 94.98 1 10 A VAL 11 2 97.65 1 11 A VAL 12 2 97.66 1 12 A ALA 13 2 97.75 1 13 A MET 14 2 91.49 1 14 A LEU 15 2 94.39 1 15 A VAL 16 2 96.14 1 16 A MET 17 2 90.31 1 17 A GLN 18 2 87.90 1 18 A PRO 19 2 91.04 1 19 A ALA 20 2 90.64 1 20 A GLU 21 2 75.31 1 21 A ALA 22 2 81.13 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 ASN . 2 A 2 A 3 1 n ARG . 3 A 3 A 4 1 n LYS . 4 A 4 A 5 1 n LEU . 5 A 5 A 6 1 n LEU . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n VAL . 8 A 8 A 9 1 n PHE . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n VAL . 11 A 11 A 12 1 n VAL . 12 A 12 A 13 1 n ALA . 13 A 13 A 14 1 n MET . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n VAL . 16 A 16 A 17 1 n MET . 17 A 17 A 18 1 n GLN . 18 A 18 A 19 1 n PRO . 19 A 19 A 20 1 n ALA . 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 ? -14.914 4.797 11.307 1.00 89.31 1 A 1 ATOM 2 C CA . MET A 1 1 ? -13.502 4.387 11.329 1.00 91.67 1 A 1 ATOM 3 C C . MET A 1 1 ? -13.070 3.899 9.950 1.00 93.52 1 A 1 ATOM 4 O O . MET A 1 1 ? -12.772 2.724 9.755 1.00 90.34 1 A 1 ATOM 5 C CB . MET A 1 1 ? -13.286 3.288 12.371 1.00 84.47 1 A 1 ATOM 6 C CG . MET A 1 1 ? -11.816 2.952 12.584 1.00 76.27 1 A 1 ATOM 7 S SD . MET A 1 1 ? -11.561 1.736 13.885 1.00 71.55 1 A 1 ATOM 8 C CE . MET A 1 1 ? -11.876 2.724 15.330 1.00 63.57 1 A 1 ATOM 9 N N . ASN A 1 2 ? -13.053 4.807 8.999 1.00 95.12 2 A 1 ATOM 10 C CA . ASN A 1 2 ? -12.678 4.480 7.629 1.00 95.99 2 A 1 ATOM 11 C C . ASN A 1 2 ? -11.267 4.959 7.306 1.00 96.31 2 A 1 ATOM 12 O O . ASN A 1 2 ? -10.753 4.713 6.214 1.00 94.88 2 A 1 ATOM 13 C CB . ASN A 1 2 ? -13.669 5.109 6.656 1.00 93.41 2 A 1 ATOM 14 C CG . ASN A 1 2 ? -13.753 6.615 6.842 1.00 84.57 2 A 1 ATOM 15 O OD1 . ASN A 1 2 ? -13.724 7.121 7.955 1.00 79.59 2 A 1 ATOM 16 N ND2 . ASN A 1 2 ? -13.858 7.339 5.743 1.00 77.10 2 A 1 ATOM 17 N N . ARG A 1 3 ? -10.643 5.640 8.252 1.00 96.03 3 A 1 ATOM 18 C CA . ARG A 1 3 ? -9.287 6.157 8.058 1.00 96.82 3 A 1 ATOM 19 C C . ARG A 1 3 ? -8.277 5.019 7.999 1.00 97.43 3 A 1 ATOM 20 O O . ARG A 1 3 ? -7.231 5.138 7.357 1.00 96.16 3 A 1 ATOM 21 C CB . ARG A 1 3 ? -8.928 7.125 9.192 1.00 95.63 3 A 1 ATOM 22 C CG . ARG A 1 3 ? -7.603 7.832 8.968 1.00 86.16 3 A 1 ATOM 23 C CD . ARG A 1 3 ? -7.314 8.801 10.095 1.00 82.66 3 A 1 ATOM 24 N NE . ARG A 1 3 ? -6.004 9.440 9.943 1.00 73.44 3 A 1 ATOM 25 C CZ . ARG A 1 3 ? -5.494 10.299 10.812 1.00 69.32 3 A 1 ATOM 26 N NH1 . ARG A 1 3 ? -6.167 10.630 11.899 1.00 63.13 3 A 1 ATOM 27 N NH2 . ARG A 1 3 ? -4.303 10.830 10.599 1.00 60.04 3 A 1 ATOM 28 N N . LYS A 1 4 ? -8.608 3.911 8.657 1.00 97.01 4 A 1 ATOM 29 C CA . LYS A 1 4 ? -7.729 2.748 8.682 1.00 97.50 4 A 1 ATOM 30 C C . LYS A 1 4 ? -7.494 2.224 7.273 1.00 97.80 4 A 1 ATOM 31 O O . LYS A 1 4 ? -6.371 1.872 6.912 1.00 97.56 4 A 1 ATOM 32 C CB . LYS A 1 4 ? -8.346 1.658 9.553 1.00 97.23 4 A 1 ATOM 33 C CG . LYS A 1 4 ? -7.399 0.499 9.797 1.00 92.00 4 A 1 ATOM 34 C CD . LYS A 1 4 ? -6.247 0.902 10.699 1.00 86.81 4 A 1 ATOM 35 C CE . LYS A 1 4 ? -5.375 -0.283 11.047 1.00 79.38 4 A 1 ATOM 36 N NZ . LYS A 1 4 ? -4.269 0.094 11.958 1.00 70.26 4 A 1 ATOM 37 N N . LEU A 1 5 ? -8.551 2.180 6.484 1.00 97.75 5 A 1 ATOM 38 C CA . LEU A 1 5 ? -8.452 1.700 5.109 1.00 97.85 5 A 1 ATOM 39 C C . LEU A 1 5 ? -7.513 2.576 4.291 1.00 98.15 5 A 1 ATOM 40 O O . LEU A 1 5 ? -6.744 2.079 3.467 1.00 97.96 5 A 1 ATOM 41 C CB . LEU A 1 5 ? -9.837 1.685 4.467 1.00 97.47 5 A 1 ATOM 42 C CG . LEU A 1 5 ? -10.793 0.665 5.071 1.00 85.97 5 A 1 ATOM 43 C CD1 . LEU A 1 5 ? -12.185 0.853 4.509 1.00 83.86 5 A 1 ATOM 44 C CD2 . LEU A 1 5 ? -10.293 -0.747 4.802 1.00 84.88 5 A 1 ATOM 45 N N . LEU A 1 6 ? -7.579 3.873 4.527 1.00 97.86 6 A 1 ATOM 46 C CA . LEU A 1 6 ? -6.723 4.815 3.813 1.00 97.78 6 A 1 ATOM 47 C C . LEU A 1 6 ? -5.254 4.580 4.151 1.00 98.01 6 A 1 ATOM 48 O O . LEU A 1 6 ? -4.395 4.590 3.269 1.00 98.04 6 A 1 ATOM 49 C CB . LEU A 1 6 ? -7.117 6.250 4.160 1.00 97.63 6 A 1 ATOM 50 C CG . LEU A 1 6 ? -6.353 7.311 3.373 1.00 90.20 6 A 1 ATOM 51 C CD1 . LEU A 1 6 ? -6.695 7.223 1.892 1.00 86.95 6 A 1 ATOM 52 C CD2 . LEU A 1 6 ? -6.671 8.698 3.908 1.00 88.21 6 A 1 ATOM 53 N N . LEU A 1 7 ? -4.973 4.367 5.428 1.00 97.88 7 A 1 ATOM 54 C CA . LEU A 1 7 ? -3.605 4.129 5.878 1.00 97.84 7 A 1 ATOM 55 C C . LEU A 1 7 ? -3.053 2.839 5.287 1.00 98.03 7 A 1 ATOM 56 O O . LEU A 1 7 ? -1.919 2.801 4.807 1.00 98.19 7 A 1 ATOM 57 C CB . LEU A 1 7 ? -3.567 4.054 7.407 1.00 97.77 7 A 1 ATOM 58 C CG . LEU A 1 7 ? -3.840 5.380 8.112 1.00 90.13 7 A 1 ATOM 59 C CD1 . LEU A 1 7 ? -3.996 5.159 9.611 1.00 88.12 7 A 1 ATOM 60 C CD2 . LEU A 1 7 ? -2.713 6.368 7.851 1.00 90.33 7 A 1 ATOM 61 N N . VAL A 1 8 ? -3.858 1.792 5.321 1.00 98.22 8 A 1 ATOM 62 C CA . VAL A 1 8 ? -3.444 0.503 4.775 1.00 98.21 8 A 1 ATOM 63 C C . VAL A 1 8 ? -3.179 0.622 3.280 1.00 98.30 8 A 1 ATOM 64 O O . VAL A 1 8 ? -2.173 0.121 2.770 1.00 98.16 8 A 1 ATOM 65 C CB . VAL A 1 8 ? -4.507 -0.571 5.037 1.00 97.96 8 A 1 ATOM 66 C CG1 . VAL A 1 8 ? -4.139 -1.873 4.338 1.00 96.59 8 A 1 ATOM 67 C CG2 . VAL A 1 8 ? -4.661 -0.802 6.529 1.00 96.39 8 A 1 ATOM 68 N N . PHE A 1 9 ? -4.081 1.275 2.583 1.00 97.93 9 A 1 ATOM 69 C CA . PHE A 1 9 ? -3.943 1.457 1.140 1.00 97.92 9 A 1 ATOM 70 C C . PHE A 1 9 ? -2.666 2.223 0.814 1.00 97.98 9 A 1 ATOM 71 O O . PHE A 1 9 ? -1.963 1.899 -0.145 1.00 97.81 9 A 1 ATOM 72 C CB . PHE A 1 9 ? -5.159 2.200 0.594 1.00 97.81 9 A 1 ATOM 73 C CG . PHE A 1 9 ? -5.168 2.275 -0.908 1.00 95.17 9 A 1 ATOM 74 C CD1 . PHE A 1 9 ? -5.567 1.186 -1.664 1.00 91.43 9 A 1 ATOM 75 C CD2 . PHE A 1 9 ? -4.777 3.434 -1.553 1.00 92.03 9 A 1 ATOM 76 C CE1 . PHE A 1 9 ? -5.573 1.250 -3.048 1.00 90.60 9 A 1 ATOM 77 C CE2 . PHE A 1 9 ? -4.775 3.503 -2.941 1.00 90.80 9 A 1 ATOM 78 C CZ . PHE A 1 9 ? -5.173 2.410 -3.691 1.00 91.29 9 A 1 ATOM 79 N N . LEU A 1 10 ? -2.369 3.234 1.614 1.00 97.95 10 A 1 ATOM 80 C CA . LEU A 1 10 ? -1.168 4.041 1.415 1.00 97.84 10 A 1 ATOM 81 C C . LEU A 1 10 ? 0.091 3.195 1.567 1.00 98.00 10 A 1 ATOM 82 O O . LEU A 1 10 ? 1.017 3.295 0.762 1.00 97.96 10 A 1 ATOM 83 C CB . LEU A 1 10 ? -1.142 5.195 2.419 1.00 97.66 10 A 1 ATOM 84 C CG . LEU A 1 10 ? 0.024 6.164 2.229 1.00 91.13 10 A 1 ATOM 85 C CD1 . LEU A 1 10 ? -0.110 6.908 0.908 1.00 89.15 10 A 1 ATOM 86 C CD2 . LEU A 1 10 ? 0.091 7.147 3.385 1.00 90.17 10 A 1 ATOM 87 N N . VAL A 1 11 ? 0.125 2.363 2.593 1.00 98.24 11 A 1 ATOM 88 C CA . VAL A 1 11 ? 1.273 1.494 2.842 1.00 98.18 11 A 1 ATOM 89 C C . VAL A 1 11 ? 1.455 0.511 1.697 1.00 98.18 11 A 1 ATOM 90 O O . VAL A 1 11 ? 2.575 0.285 1.226 1.00 97.80 11 A 1 ATOM 91 C CB . VAL A 1 11 ? 1.108 0.735 4.166 1.00 97.95 11 A 1 ATOM 92 C CG1 . VAL A 1 11 ? 2.240 -0.267 4.358 1.00 96.62 11 A 1 ATOM 93 C CG2 . VAL A 1 11 ? 1.075 1.709 5.331 1.00 96.57 11 A 1 ATOM 94 N N . VAL A 1 12 ? 0.361 -0.079 1.253 1.00 98.37 12 A 1 ATOM 95 C CA . VAL A 1 12 ? 0.413 -1.037 0.149 1.00 98.30 12 A 1 ATOM 96 C C . VAL A 1 12 ? 0.956 -0.367 -1.106 1.00 98.26 12 A 1 ATOM 97 O O . VAL A 1 12 ? 1.783 -0.940 -1.822 1.00 97.87 12 A 1 ATOM 98 C CB . VAL A 1 12 ? -0.976 -1.629 -0.132 1.00 98.01 12 A 1 ATOM 99 C CG1 . VAL A 1 12 ? -0.947 -2.504 -1.379 1.00 96.33 12 A 1 ATOM 100 C CG2 . VAL A 1 12 ? -1.452 -2.435 1.061 1.00 96.47 12 A 1 ATOM 101 N N . ALA A 1 13 ? 0.491 0.839 -1.371 1.00 98.12 13 A 1 ATOM 102 C CA . ALA A 1 13 ? 0.941 1.581 -2.545 1.00 97.91 13 A 1 ATOM 103 C C . ALA A 1 13 ? 2.446 1.830 -2.487 1.00 97.87 13 A 1 ATOM 104 O O . ALA A 1 13 ? 3.144 1.693 -3.491 1.00 97.25 13 A 1 ATOM 105 C CB . ALA A 1 13 ? 0.196 2.905 -2.644 1.00 97.60 13 A 1 ATOM 106 N N . MET A 1 14 ? 2.949 2.177 -1.318 1.00 97.21 14 A 1 ATOM 107 C CA . MET A 1 14 ? 4.377 2.419 -1.135 1.00 96.78 14 A 1 ATOM 108 C C . MET A 1 14 ? 5.179 1.144 -1.342 1.00 96.98 14 A 1 ATOM 109 O O . MET A 1 14 ? 6.267 1.172 -1.907 1.00 95.83 14 A 1 ATOM 110 C CB . MET A 1 14 ? 4.644 2.966 0.264 1.00 96.37 14 A 1 ATOM 111 C CG . MET A 1 14 ? 4.158 4.391 0.440 1.00 92.06 14 A 1 ATOM 112 S SD . MET A 1 14 ? 4.529 5.040 2.075 1.00 83.42 14 A 1 ATOM 113 C CE . MET A 1 14 ? 3.964 6.720 1.885 1.00 73.25 14 A 1 ATOM 114 N N . LEU A 1 15 ? 4.637 0.034 -0.879 1.00 97.08 15 A 1 ATOM 115 C CA . LEU A 1 15 ? 5.308 -1.253 -1.013 1.00 96.85 15 A 1 ATOM 116 C C . LEU A 1 15 ? 5.401 -1.664 -2.475 1.00 97.00 15 A 1 ATOM 117 O O . LEU A 1 15 ? 6.434 -2.158 -2.928 1.00 96.07 15 A 1 ATOM 118 C CB . LEU A 1 15 ? 4.557 -2.319 -0.221 1.00 96.58 15 A 1 ATOM 119 C CG . LEU A 1 15 ? 5.248 -3.676 -0.189 1.00 92.73 15 A 1 ATOM 120 C CD1 . LEU A 1 15 ? 6.570 -3.585 0.556 1.00 89.00 15 A 1 ATOM 121 C CD2 . LEU A 1 15 ? 4.353 -4.716 0.465 1.00 89.78 15 A 1 ATOM 122 N N . VAL A 1 16 ? 4.319 -1.469 -3.211 1.00 97.99 16 A 1 ATOM 123 C CA . VAL A 1 16 ? 4.279 -1.817 -4.626 1.00 97.65 16 A 1 ATOM 124 C C . VAL A 1 16 ? 5.204 -0.915 -5.432 1.00 97.43 16 A 1 ATOM 125 O O . VAL A 1 16 ? 5.922 -1.376 -6.324 1.00 95.97 16 A 1 ATOM 126 C CB . VAL A 1 16 ? 2.848 -1.719 -5.177 1.00 96.91 16 A 1 ATOM 127 C CG1 . VAL A 1 16 ? 2.833 -1.955 -6.680 1.00 93.13 16 A 1 ATOM 128 C CG2 . VAL A 1 16 ? 1.945 -2.719 -4.481 1.00 93.92 16 A 1 ATOM 129 N N . MET A 1 17 ? 5.190 0.368 -5.111 1.00 97.22 17 A 1 ATOM 130 C CA . MET A 1 17 ? 6.017 1.347 -5.812 1.00 96.91 17 A 1 ATOM 131 C C . MET A 1 17 ? 7.248 1.715 -4.997 1.00 96.66 17 A 1 ATOM 132 O O . MET A 1 17 ? 7.669 2.868 -4.960 1.00 94.52 17 A 1 ATOM 133 C CB . MET A 1 17 ? 5.201 2.599 -6.126 1.00 95.92 17 A 1 ATOM 134 C CG . MET A 1 17 ? 4.046 2.328 -7.065 1.00 89.93 17 A 1 ATOM 135 S SD . MET A 1 17 ? 3.135 3.823 -7.466 1.00 81.20 17 A 1 ATOM 136 C CE . MET A 1 17 ? 1.934 3.163 -8.603 1.00 70.16 17 A 1 ATOM 137 N N . GLN A 1 18 ? 7.807 0.718 -4.347 1.00 95.73 18 A 1 ATOM 138 C CA . GLN A 1 18 ? 8.978 0.943 -3.511 1.00 95.59 18 A 1 ATOM 139 C C . GLN A 1 18 ? 10.203 1.232 -4.366 1.00 95.66 18 A 1 ATOM 140 O O . GLN A 1 18 ? 10.477 0.516 -5.331 1.00 93.16 18 A 1 ATOM 141 C CB . GLN A 1 18 ? 9.234 -0.275 -2.629 1.00 93.60 18 A 1 ATOM 142 C CG . GLN A 1 18 ? 10.322 -0.036 -1.602 1.00 85.12 18 A 1 ATOM 143 C CD . GLN A 1 18 ? 10.469 -1.187 -0.632 1.00 81.22 18 A 1 ATOM 144 O OE1 . GLN A 1 18 ? 9.566 -2.001 -0.478 1.00 77.31 18 A 1 ATOM 145 N NE2 . GLN A 1 18 ? 11.612 -1.272 0.036 1.00 73.75 18 A 1 ATOM 146 N N . PRO A 1 19 ? 10.967 2.280 -4.032 1.00 93.79 19 A 1 ATOM 147 C CA . PRO A 1 19 ? 12.166 2.653 -4.781 1.00 93.22 19 A 1 ATOM 148 C C . PRO A 1 19 ? 13.279 1.637 -4.590 1.00 92.77 19 A 1 ATOM 149 O O . PRO A 1 19 ? 13.382 0.997 -3.548 1.00 87.67 19 A 1 ATOM 150 C CB . PRO A 1 19 ? 12.561 4.004 -4.189 1.00 90.62 19 A 1 ATOM 151 C CG . PRO A 1 19 ? 11.992 3.987 -2.817 1.00 87.79 19 A 1 ATOM 152 C CD . PRO A 1 19 ? 10.720 3.184 -2.908 1.00 91.41 19 A 1 ATOM 153 N N . ALA A 1 20 ? 14.124 1.492 -5.611 1.00 93.14 20 A 1 ATOM 154 C CA . ALA A 1 20 ? 15.227 0.550 -5.552 1.00 92.15 20 A 1 ATOM 155 C C . ALA A 1 20 ? 16.461 1.204 -4.948 1.00 91.32 20 A 1 ATOM 156 O O . ALA A 1 20 ? 16.706 2.392 -5.146 1.00 86.88 20 A 1 ATOM 157 C CB . ALA A 1 20 ? 15.544 0.023 -6.945 1.00 89.73 20 A 1 ATOM 158 N N . GLU A 1 21 ? 17.231 0.410 -4.212 1.00 88.44 21 A 1 ATOM 159 C CA . GLU A 1 21 ? 18.454 0.904 -3.589 1.00 85.84 21 A 1 ATOM 160 C C . GLU A 1 21 ? 19.633 0.031 -3.971 1.00 83.12 21 A 1 ATOM 161 O O . GLU A 1 21 ? 19.901 -0.985 -3.334 1.00 76.60 21 A 1 ATOM 162 C CB . GLU A 1 21 ? 18.308 0.936 -2.075 1.00 81.63 21 A 1 ATOM 163 C CG . GLU A 1 21 ? 17.351 2.005 -1.611 1.00 71.67 21 A 1 ATOM 164 C CD . GLU A 1 21 ? 17.376 2.154 -0.109 1.00 66.28 21 A 1 ATOM 165 O OE1 . GLU A 1 21 ? 17.599 1.144 0.577 1.00 61.09 21 A 1 ATOM 166 O OE2 . GLU A 1 21 ? 17.175 3.272 0.377 1.00 63.12 21 A 1 ATOM 167 N N . ALA A 1 22 ? 20.335 0.442 -5.029 1.00 87.95 22 A 1 ATOM 168 C CA . ALA A 1 22 ? 21.494 -0.311 -5.512 1.00 86.37 22 A 1 ATOM 169 C C . ALA A 1 22 ? 22.457 0.623 -6.236 1.00 83.48 22 A 1 ATOM 170 O O . ALA A 1 22 ? 22.403 0.735 -7.458 1.00 77.83 22 A 1 ATOM 171 C CB . ALA A 1 22 ? 21.047 -1.431 -6.424 1.00 79.94 22 A 1 ATOM 172 O OXT . ALA A 1 22 ? 23.263 1.287 -5.560 1.00 71.23 22 A 1 #