# 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_spkb09852 # _entry.id spkb09852 # 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" "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" "C4 H9 N O3" 119.119 THR y THREONINE C[C@H]([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 ARG 2 1 n TYR 3 1 n THR 4 1 n GLY 5 1 n LEU 6 1 n MET 7 1 n GLY 8 1 n ILE 9 1 n LEU 10 1 n LEU 11 1 n THR 12 1 n LEU 13 1 n VAL 14 1 n ASN 15 1 n LEU 16 1 n LEU 17 1 n GLN 18 1 n LEU 19 1 n ALA 20 1 n ALA 21 1 n THR 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 @ 2025-07-09 23:06:14)" _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 93.55 _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 81.70 1 1 A ARG 2 2 80.40 1 2 A TYR 3 2 89.45 1 3 A THR 4 2 92.41 1 4 A GLY 5 2 96.70 1 5 A LEU 6 2 95.06 1 6 A MET 7 2 92.50 1 7 A GLY 8 2 97.77 1 8 A ILE 9 2 96.58 1 9 A LEU 10 2 95.57 1 10 A LEU 11 2 95.60 1 11 A THR 12 2 97.25 1 12 A LEU 13 2 96.03 1 13 A VAL 14 2 97.85 1 14 A ASN 15 2 95.92 1 15 A LEU 16 2 97.46 1 16 A LEU 17 2 97.06 1 17 A GLN 18 2 93.92 1 18 A LEU 19 2 96.24 1 19 A ALA 20 2 98.39 1 20 A ALA 21 2 97.69 1 21 A THR 22 2 91.33 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 ARG . 2 A 2 A 3 1 n TYR . 3 A 3 A 4 1 n THR . 4 A 4 A 5 1 n GLY . 5 A 5 A 6 1 n LEU . 6 A 6 A 7 1 n MET . 7 A 7 A 8 1 n GLY . 8 A 8 A 9 1 n ILE . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n THR . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n VAL . 14 A 14 A 15 1 n ASN . 15 A 15 A 16 1 n LEU . 16 A 16 A 17 1 n LEU . 17 A 17 A 18 1 n GLN . 18 A 18 A 19 1 n LEU . 19 A 19 A 20 1 n ALA . 20 A 20 A 21 1 n ALA . 21 A 21 A 22 1 n THR . 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 ? -15.344 8.019 5.527 1.00 86.44 1 A 1 ATOM 2 C CA . MET A 1 1 ? -14.098 7.403 5.043 1.00 88.50 1 A 1 ATOM 3 C C . MET A 1 1 ? -13.045 7.418 6.142 1.00 89.42 1 A 1 ATOM 4 O O . MET A 1 1 ? -12.454 8.461 6.424 1.00 85.58 1 A 1 ATOM 5 C CB . MET A 1 1 ? -13.558 8.157 3.830 1.00 83.89 1 A 1 ATOM 6 C CG . MET A 1 1 ? -14.496 8.111 2.644 1.00 80.21 1 A 1 ATOM 7 S SD . MET A 1 1 ? -13.867 8.994 1.200 1.00 75.27 1 A 1 ATOM 8 C CE . MET A 1 1 ? -14.003 10.685 1.762 1.00 64.30 1 A 1 ATOM 9 N N . ARG A 1 2 ? -12.847 6.285 6.775 1.00 89.68 2 A 1 ATOM 10 C CA . ARG A 1 2 ? -11.890 6.185 7.881 1.00 92.05 2 A 1 ATOM 11 C C . ARG A 1 2 ? -10.596 5.501 7.457 1.00 93.19 2 A 1 ATOM 12 O O . ARG A 1 2 ? -9.519 5.845 7.939 1.00 90.88 2 A 1 ATOM 13 C CB . ARG A 1 2 ? -12.521 5.418 9.048 1.00 89.05 2 A 1 ATOM 14 C CG . ARG A 1 2 ? -13.746 6.100 9.622 1.00 80.72 2 A 1 ATOM 15 C CD . ARG A 1 2 ? -14.214 5.415 10.883 1.00 80.40 2 A 1 ATOM 16 N NE . ARG A 1 2 ? -15.389 6.081 11.448 1.00 72.57 2 A 1 ATOM 17 C CZ . ARG A 1 2 ? -16.622 5.607 11.379 1.00 69.05 2 A 1 ATOM 18 N NH1 . ARG A 1 2 ? -16.866 4.463 10.767 1.00 63.46 2 A 1 ATOM 19 N NH2 . ARG A 1 2 ? -17.619 6.279 11.921 1.00 63.34 2 A 1 ATOM 20 N N . TYR A 1 3 ? -10.709 4.522 6.559 1.00 92.50 3 A 1 ATOM 21 C CA . TYR A 1 3 ? -9.546 3.755 6.132 1.00 93.92 3 A 1 ATOM 22 C C . TYR A 1 3 ? -8.900 4.311 4.868 1.00 95.02 3 A 1 ATOM 23 O O . TYR A 1 3 ? -7.865 3.807 4.430 1.00 93.96 3 A 1 ATOM 24 C CB . TYR A 1 3 ? -9.942 2.296 5.905 1.00 92.64 3 A 1 ATOM 25 C CG . TYR A 1 3 ? -10.402 1.612 7.171 1.00 89.40 3 A 1 ATOM 26 C CD1 . TYR A 1 3 ? -9.476 1.167 8.103 1.00 87.31 3 A 1 ATOM 27 C CD2 . TYR A 1 3 ? -11.746 1.418 7.425 1.00 85.74 3 A 1 ATOM 28 C CE1 . TYR A 1 3 ? -9.887 0.542 9.265 1.00 85.51 3 A 1 ATOM 29 C CE2 . TYR A 1 3 ? -12.168 0.795 8.591 1.00 85.96 3 A 1 ATOM 30 C CZ . TYR A 1 3 ? -11.233 0.357 9.503 1.00 86.30 3 A 1 ATOM 31 O OH . TYR A 1 3 ? -11.646 -0.261 10.653 1.00 85.17 3 A 1 ATOM 32 N N . THR A 1 4 ? -9.498 5.357 4.286 1.00 94.85 4 A 1 ATOM 33 C CA . THR A 1 4 ? -8.956 5.961 3.067 1.00 95.46 4 A 1 ATOM 34 C C . THR A 1 4 ? -7.543 6.486 3.300 1.00 96.33 4 A 1 ATOM 35 O O . THR A 1 4 ? -6.632 6.204 2.522 1.00 94.84 4 A 1 ATOM 36 C CB . THR A 1 4 ? -9.846 7.104 2.570 1.00 93.76 4 A 1 ATOM 37 O OG1 . THR A 1 4 ? -11.181 6.625 2.388 1.00 87.20 4 A 1 ATOM 38 C CG2 . THR A 1 4 ? -9.327 7.655 1.255 1.00 84.45 4 A 1 ATOM 39 N N . GLY A 1 5 ? -7.369 7.247 4.381 1.00 96.07 5 A 1 ATOM 40 C CA . GLY A 1 5 ? -6.055 7.779 4.720 1.00 96.57 5 A 1 ATOM 41 C C . GLY A 1 5 ? -5.090 6.683 5.120 1.00 97.37 5 A 1 ATOM 42 O O . GLY A 1 5 ? -3.919 6.695 4.734 1.00 96.79 5 A 1 ATOM 43 N N . LEU A 1 6 ? -5.592 5.712 5.894 1.00 97.00 6 A 1 ATOM 44 C CA . LEU A 1 6 ? -4.775 4.587 6.333 1.00 97.50 6 A 1 ATOM 45 C C . LEU A 1 6 ? -4.312 3.761 5.140 1.00 97.97 6 A 1 ATOM 46 O O . LEU A 1 6 ? -3.155 3.342 5.076 1.00 97.86 6 A 1 ATOM 47 C CB . LEU A 1 6 ? -5.561 3.707 7.305 1.00 97.06 6 A 1 ATOM 48 C CG . LEU A 1 6 ? -4.788 2.509 7.843 1.00 93.80 6 A 1 ATOM 49 C CD1 . LEU A 1 6 ? -3.554 2.955 8.606 1.00 90.07 6 A 1 ATOM 50 C CD2 . LEU A 1 6 ? -5.684 1.666 8.733 1.00 89.21 6 A 1 ATOM 51 N N . MET A 1 7 ? -5.221 3.531 4.190 1.00 97.47 7 A 1 ATOM 52 C CA . MET A 1 7 ? -4.883 2.774 2.988 1.00 97.42 7 A 1 ATOM 53 C C . MET A 1 7 ? -3.798 3.485 2.188 1.00 97.80 7 A 1 ATOM 54 O O . MET A 1 7 ? -2.918 2.847 1.615 1.00 97.52 7 A 1 ATOM 55 C CB . MET A 1 7 ? -6.126 2.572 2.125 1.00 96.61 7 A 1 ATOM 56 C CG . MET A 1 7 ? -7.094 1.568 2.741 1.00 92.09 7 A 1 ATOM 57 S SD . MET A 1 7 ? -6.399 -0.077 2.821 1.00 85.38 7 A 1 ATOM 58 C CE . MET A 1 7 ? -7.733 -0.941 3.644 1.00 75.70 7 A 1 ATOM 59 N N . GLY A 1 8 ? -3.868 4.806 2.162 1.00 97.43 8 A 1 ATOM 60 C CA . GLY A 1 8 ? -2.852 5.597 1.477 1.00 97.57 8 A 1 ATOM 61 C C . GLY A 1 8 ? -1.489 5.420 2.118 1.00 98.12 8 A 1 ATOM 62 O O . GLY A 1 8 ? -0.474 5.310 1.426 1.00 97.94 8 A 1 ATOM 63 N N . ILE A 1 9 ? -1.470 5.380 3.446 1.00 97.86 9 A 1 ATOM 64 C CA . ILE A 1 9 ? -0.229 5.185 4.189 1.00 97.97 9 A 1 ATOM 65 C C . ILE A 1 9 ? 0.327 3.791 3.922 1.00 98.33 9 A 1 ATOM 66 O O . ILE A 1 9 ? 1.523 3.624 3.668 1.00 98.21 9 A 1 ATOM 67 C CB . ILE A 1 9 ? -0.453 5.386 5.698 1.00 97.68 9 A 1 ATOM 68 C CG1 . ILE A 1 9 ? -0.837 6.843 5.979 1.00 95.95 9 A 1 ATOM 69 C CG2 . ILE A 1 9 ? 0.803 5.009 6.479 1.00 95.15 9 A 1 ATOM 70 C CD1 . ILE A 1 9 ? -1.321 7.076 7.394 1.00 91.46 9 A 1 ATOM 71 N N . LEU A 1 10 ? -0.548 2.788 3.969 1.00 97.97 10 A 1 ATOM 72 C CA . LEU A 1 10 ? -0.138 1.410 3.726 1.00 98.04 10 A 1 ATOM 73 C C . LEU A 1 10 ? 0.417 1.250 2.317 1.00 98.30 10 A 1 ATOM 74 O O . LEU A 1 10 ? 1.440 0.596 2.112 1.00 98.27 10 A 1 ATOM 75 C CB . LEU A 1 10 ? -1.322 0.464 3.928 1.00 97.72 10 A 1 ATOM 76 C CG . LEU A 1 10 ? -1.800 0.351 5.374 1.00 93.14 10 A 1 ATOM 77 C CD1 . LEU A 1 10 ? -3.094 -0.446 5.440 1.00 90.42 10 A 1 ATOM 78 C CD2 . LEU A 1 10 ? -0.735 -0.309 6.240 1.00 90.74 10 A 1 ATOM 79 N N . LEU A 1 11 ? -0.260 1.854 1.347 1.00 98.26 11 A 1 ATOM 80 C CA . LEU A 1 11 ? 0.180 1.798 -0.043 1.00 98.20 11 A 1 ATOM 81 C C . LEU A 1 11 ? 1.544 2.456 -0.197 1.00 98.39 11 A 1 ATOM 82 O O . LEU A 1 11 ? 2.415 1.953 -0.912 1.00 98.28 11 A 1 ATOM 83 C CB . LEU A 1 11 ? -0.839 2.490 -0.944 1.00 97.87 11 A 1 ATOM 84 C CG . LEU A 1 11 ? -0.503 2.444 -2.432 1.00 92.16 11 A 1 ATOM 85 C CD1 . LEU A 1 11 ? -0.452 1.009 -2.931 1.00 90.56 11 A 1 ATOM 86 C CD2 . LEU A 1 11 ? -1.527 3.243 -3.219 1.00 91.05 11 A 1 ATOM 87 N N . THR A 1 12 ? 1.730 3.580 0.479 1.00 98.36 12 A 1 ATOM 88 C CA . THR A 1 12 ? 3.000 4.297 0.436 1.00 98.36 12 A 1 ATOM 89 C C . THR A 1 12 ? 4.121 3.428 0.997 1.00 98.59 12 A 1 ATOM 90 O O . THR A 1 12 ? 5.208 3.358 0.420 1.00 98.41 12 A 1 ATOM 91 C CB . THR A 1 12 ? 2.920 5.603 1.231 1.00 97.98 12 A 1 ATOM 92 O OG1 . THR A 1 12 ? 1.902 6.435 0.676 1.00 95.36 12 A 1 ATOM 93 C CG2 . THR A 1 12 ? 4.245 6.351 1.186 1.00 93.66 12 A 1 ATOM 94 N N . LEU A 1 13 ? 3.850 2.755 2.110 1.00 98.23 13 A 1 ATOM 95 C CA . LEU A 1 13 ? 4.837 1.885 2.739 1.00 98.28 13 A 1 ATOM 96 C C . LEU A 1 13 ? 5.230 0.747 1.805 1.00 98.50 13 A 1 ATOM 97 O O . LEU A 1 13 ? 6.412 0.421 1.677 1.00 98.40 13 A 1 ATOM 98 C CB . LEU A 1 13 ? 4.282 1.317 4.041 1.00 98.02 13 A 1 ATOM 99 C CG . LEU A 1 13 ? 4.119 2.345 5.159 1.00 93.91 13 A 1 ATOM 100 C CD1 . LEU A 1 13 ? 3.375 1.734 6.336 1.00 91.28 13 A 1 ATOM 101 C CD2 . LEU A 1 13 ? 5.480 2.860 5.612 1.00 91.60 13 A 1 ATOM 102 N N . VAL A 1 14 ? 4.238 0.147 1.152 1.00 98.58 14 A 1 ATOM 103 C CA . VAL A 1 14 ? 4.491 -0.943 0.213 1.00 98.50 14 A 1 ATOM 104 C C . VAL A 1 14 ? 5.322 -0.451 -0.962 1.00 98.58 14 A 1 ATOM 105 O O . VAL A 1 14 ? 6.282 -1.108 -1.376 1.00 98.44 14 A 1 ATOM 106 C CB . VAL A 1 14 ? 3.175 -1.555 -0.289 1.00 98.16 14 A 1 ATOM 107 C CG1 . VAL A 1 14 ? 3.440 -2.587 -1.379 1.00 96.33 14 A 1 ATOM 108 C CG2 . VAL A 1 14 ? 2.426 -2.201 0.862 1.00 96.39 14 A 1 ATOM 109 N N . ASN A 1 15 ? 4.954 0.707 -1.502 1.00 98.47 15 A 1 ATOM 110 C CA . ASN A 1 15 ? 5.682 1.281 -2.625 1.00 98.40 15 A 1 ATOM 111 C C . ASN A 1 15 ? 7.122 1.594 -2.244 1.00 98.54 15 A 1 ATOM 112 O O . ASN A 1 15 ? 8.049 1.308 -3.002 1.00 98.41 15 A 1 ATOM 113 C CB . ASN A 1 15 ? 4.985 2.551 -3.113 1.00 98.10 15 A 1 ATOM 114 C CG . ASN A 1 15 ? 3.714 2.237 -3.870 1.00 95.54 15 A 1 ATOM 115 O OD1 . ASN A 1 15 ? 3.586 1.189 -4.486 1.00 89.68 15 A 1 ATOM 116 N ND2 . ASN A 1 15 ? 2.763 3.153 -3.848 1.00 90.23 15 A 1 ATOM 117 N N . LEU A 1 16 ? 7.314 2.171 -1.062 1.00 98.66 16 A 1 ATOM 118 C CA . LEU A 1 16 ? 8.650 2.501 -0.584 1.00 98.66 16 A 1 ATOM 119 C C . LEU A 1 16 ? 9.482 1.241 -0.398 1.00 98.71 16 A 1 ATOM 120 O O . LEU A 1 16 ? 10.668 1.219 -0.733 1.00 98.55 16 A 1 ATOM 121 C CB . LEU A 1 16 ? 8.563 3.265 0.737 1.00 98.54 16 A 1 ATOM 122 C CG . LEU A 1 16 ? 8.020 4.690 0.613 1.00 97.00 16 A 1 ATOM 123 C CD1 . LEU A 1 16 ? 7.784 5.282 1.991 1.00 94.81 16 A 1 ATOM 124 C CD2 . LEU A 1 16 ? 8.983 5.560 -0.178 1.00 94.77 16 A 1 ATOM 125 N N . LEU A 1 17 ? 8.853 0.192 0.131 1.00 98.62 17 A 1 ATOM 126 C CA . LEU A 1 17 ? 9.533 -1.081 0.342 1.00 98.57 17 A 1 ATOM 127 C C . LEU A 1 17 ? 9.982 -1.674 -0.984 1.00 98.60 17 A 1 ATOM 128 O O . LEU A 1 17 ? 11.115 -2.148 -1.115 1.00 98.37 17 A 1 ATOM 129 C CB . LEU A 1 17 ? 8.607 -2.056 1.062 1.00 98.40 17 A 1 ATOM 130 C CG . LEU A 1 17 ? 9.230 -3.411 1.379 1.00 96.85 17 A 1 ATOM 131 C CD1 . LEU A 1 17 ? 10.413 -3.255 2.323 1.00 93.77 17 A 1 ATOM 132 C CD2 . LEU A 1 17 ? 8.189 -4.337 1.988 1.00 93.33 17 A 1 ATOM 133 N N . GLN A 1 18 ? 9.092 -1.649 -1.979 1.00 98.61 18 A 1 ATOM 134 C CA . GLN A 1 18 ? 9.407 -2.182 -3.297 1.00 98.55 18 A 1 ATOM 135 C C . GLN A 1 18 ? 10.500 -1.366 -3.975 1.00 98.60 18 A 1 ATOM 136 O O . GLN A 1 18 ? 11.405 -1.927 -4.596 1.00 98.25 18 A 1 ATOM 137 C CB . GLN A 1 18 ? 8.156 -2.206 -4.166 1.00 98.25 18 A 1 ATOM 138 C CG . GLN A 1 18 ? 7.153 -3.255 -3.702 1.00 94.60 18 A 1 ATOM 139 C CD . GLN A 1 18 ? 5.899 -3.270 -4.549 1.00 90.35 18 A 1 ATOM 140 O OE1 . GLN A 1 18 ? 5.686 -2.382 -5.372 1.00 85.20 18 A 1 ATOM 141 N NE2 . GLN A 1 18 ? 5.057 -4.271 -4.370 1.00 82.86 18 A 1 ATOM 142 N N . LEU A 1 19 ? 10.421 -0.052 -3.841 1.00 98.54 19 A 1 ATOM 143 C CA . LEU A 1 19 ? 11.430 0.826 -4.425 1.00 98.38 19 A 1 ATOM 144 C C . LEU A 1 19 ? 12.794 0.586 -3.791 1.00 98.50 19 A 1 ATOM 145 O O . LEU A 1 19 ? 13.815 0.569 -4.481 1.00 98.21 19 A 1 ATOM 146 C CB . LEU A 1 19 ? 11.021 2.288 -4.243 1.00 98.08 19 A 1 ATOM 147 C CG . LEU A 1 19 ? 9.837 2.728 -5.110 1.00 94.74 19 A 1 ATOM 148 C CD1 . LEU A 1 19 ? 9.351 4.101 -4.683 1.00 91.78 19 A 1 ATOM 149 C CD2 . LEU A 1 19 ? 10.240 2.745 -6.577 1.00 91.68 19 A 1 ATOM 150 N N . ALA A 1 20 ? 12.806 0.390 -2.478 1.00 98.52 20 A 1 ATOM 151 C CA . ALA A 1 20 ? 14.048 0.145 -1.756 1.00 98.48 20 A 1 ATOM 152 C C . ALA A 1 20 ? 14.597 -1.247 -2.037 1.00 98.53 20 A 1 ATOM 153 O O . ALA A 1 20 ? 15.790 -1.500 -1.860 1.00 98.18 20 A 1 ATOM 154 C CB . ALA A 1 20 ? 13.828 0.325 -0.258 1.00 98.23 20 A 1 ATOM 155 N N . ALA A 1 21 ? 13.725 -2.162 -2.462 1.00 98.27 21 A 1 ATOM 156 C CA . ALA A 1 21 ? 14.117 -3.537 -2.743 1.00 98.02 21 A 1 ATOM 157 C C . ALA A 1 21 ? 14.180 -3.812 -4.240 1.00 97.87 21 A 1 ATOM 158 O O . ALA A 1 21 ? 14.133 -4.966 -4.671 1.00 96.77 21 A 1 ATOM 159 C CB . ALA A 1 21 ? 13.147 -4.507 -2.073 1.00 97.51 21 A 1 ATOM 160 N N . THR A 1 22 ? 14.277 -2.757 -5.028 1.00 97.04 22 A 1 ATOM 161 C CA . THR A 1 22 ? 14.336 -2.888 -6.483 1.00 96.15 22 A 1 ATOM 162 C C . THR A 1 22 ? 15.792 -2.923 -6.948 1.00 94.10 22 A 1 ATOM 163 O O . THR A 1 22 ? 16.242 -3.970 -7.427 1.00 87.93 22 A 1 ATOM 164 C CB . THR A 1 22 ? 13.595 -1.745 -7.187 1.00 93.81 22 A 1 ATOM 165 O OG1 . THR A 1 22 ? 12.225 -1.762 -6.807 1.00 87.74 22 A 1 ATOM 166 C CG2 . THR A 1 22 ? 13.694 -1.886 -8.692 1.00 87.63 22 A 1 ATOM 167 O OXT . THR A 1 22 ? 16.458 -1.912 -6.852 1.00 86.20 22 A 1 #