# 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_spkb23905 # _entry.id spkb23905 # 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" "C4 H8 N2 O3" 132.118 ASN y ASPARAGINE C([C@@H](C(=O)O)N)C(=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 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" "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 THR 3 1 n SER 4 1 n GLN 5 1 n ILE 6 1 n VAL 7 1 n LEU 8 1 n MET 9 1 n PHE 10 1 n CYS 11 1 n LEU 12 1 n VAL 13 1 n VAL 14 1 n GLY 15 1 n VAL 16 1 n ALA 17 1 n GLN 18 1 n THR 19 1 n ALA 20 1 n LEU 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 @ 2025-07-10 15:33:55)" _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 93.61 _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 83.61 1 1 A ASN 2 2 86.09 1 2 A THR 3 2 91.62 1 3 A SER 4 2 94.85 1 4 A GLN 5 2 91.28 1 5 A ILE 6 2 95.85 1 6 A VAL 7 2 97.46 1 7 A LEU 8 2 94.91 1 8 A MET 9 2 92.47 1 9 A PHE 10 2 94.99 1 10 A CYS 11 2 97.09 1 11 A LEU 12 2 94.76 1 12 A VAL 13 2 96.37 1 13 A VAL 14 2 96.53 1 14 A GLY 15 2 97.81 1 15 A VAL 16 2 96.52 1 16 A ALA 17 2 97.99 1 17 A GLN 18 2 92.98 1 18 A THR 19 2 95.19 1 19 A ALA 20 2 97.38 1 20 A LEU 21 2 92.01 1 21 A ALA 22 2 87.92 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 THR . 3 A 3 A 4 1 n SER . 4 A 4 A 5 1 n GLN . 5 A 5 A 6 1 n ILE . 6 A 6 A 7 1 n VAL . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n MET . 9 A 9 A 10 1 n PHE . 10 A 10 A 11 1 n CYS . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n VAL . 13 A 13 A 14 1 n VAL . 14 A 14 A 15 1 n GLY . 15 A 15 A 16 1 n VAL . 16 A 16 A 17 1 n ALA . 17 A 17 A 18 1 n GLN . 18 A 18 A 19 1 n THR . 19 A 19 A 20 1 n ALA . 20 A 20 A 21 1 n LEU . 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 ? 4.239 -13.054 2.871 1.00 88.24 1 A 1 ATOM 2 C CA . MET A 1 1 ? 3.465 -12.347 3.915 1.00 90.93 1 A 1 ATOM 3 C C . MET A 1 1 ? 2.035 -12.864 3.948 1.00 92.94 1 A 1 ATOM 4 O O . MET A 1 1 ? 1.582 -13.494 2.997 1.00 90.86 1 A 1 ATOM 5 C CB . MET A 1 1 ? 3.476 -10.836 3.664 1.00 84.27 1 A 1 ATOM 6 C CG . MET A 1 1 ? 4.808 -10.204 4.050 1.00 79.38 1 A 1 ATOM 7 S SD . MET A 1 1 ? 4.852 -8.436 3.696 1.00 75.38 1 A 1 ATOM 8 C CE . MET A 1 1 ? 6.324 -7.973 4.605 1.00 66.88 1 A 1 ATOM 9 N N . ASN A 1 2 ? 1.334 -12.604 5.034 1.00 86.44 2 A 1 ATOM 10 C CA . ASN A 1 2 ? -0.063 -13.012 5.179 1.00 92.17 2 A 1 ATOM 11 C C . ASN A 1 2 ? -0.947 -12.226 4.197 1.00 94.51 2 A 1 ATOM 12 O O . ASN A 1 2 ? -0.620 -11.102 3.821 1.00 93.27 2 A 1 ATOM 13 C CB . ASN A 1 2 ? -0.499 -12.778 6.629 1.00 86.49 2 A 1 ATOM 14 C CG . ASN A 1 2 ? -1.829 -13.435 6.941 1.00 81.57 2 A 1 ATOM 15 O OD1 . ASN A 1 2 ? -2.867 -12.966 6.534 1.00 77.69 2 A 1 ATOM 16 N ND2 . ASN A 1 2 ? -1.805 -14.532 7.666 1.00 76.56 2 A 1 ATOM 17 N N . THR A 1 3 ? -2.071 -12.821 3.807 1.00 93.19 3 A 1 ATOM 18 C CA . THR A 1 3 ? -3.013 -12.183 2.872 1.00 95.16 3 A 1 ATOM 19 C C . THR A 1 3 ? -3.463 -10.812 3.381 1.00 96.22 3 A 1 ATOM 20 O O . THR A 1 3 ? -3.528 -9.852 2.610 1.00 94.82 3 A 1 ATOM 21 C CB . THR A 1 3 ? -4.242 -13.078 2.665 1.00 93.64 3 A 1 ATOM 22 O OG1 . THR A 1 3 ? -3.826 -14.412 2.408 1.00 85.10 3 A 1 ATOM 23 C CG2 . THR A 1 3 ? -5.090 -12.601 1.495 1.00 83.21 3 A 1 ATOM 24 N N . SER A 1 4 ? -3.728 -10.707 4.677 1.00 97.00 4 A 1 ATOM 25 C CA . SER A 1 4 ? -4.133 -9.440 5.293 1.00 97.05 4 A 1 ATOM 26 C C . SER A 1 4 ? -3.036 -8.380 5.178 1.00 97.63 4 A 1 ATOM 27 O O . SER A 1 4 ? -3.326 -7.209 4.943 1.00 96.78 4 A 1 ATOM 28 C CB . SER A 1 4 ? -4.478 -9.658 6.762 1.00 95.49 4 A 1 ATOM 29 O OG . SER A 1 4 ? -5.489 -10.640 6.892 1.00 85.16 4 A 1 ATOM 30 N N . GLN A 1 5 ? -1.769 -8.797 5.314 1.00 96.52 5 A 1 ATOM 31 C CA . GLN A 1 5 ? -0.630 -7.886 5.189 1.00 96.86 5 A 1 ATOM 32 C C . GLN A 1 5 ? -0.487 -7.376 3.759 1.00 97.55 5 A 1 ATOM 33 O O . GLN A 1 5 ? -0.199 -6.202 3.546 1.00 96.95 5 A 1 ATOM 34 C CB . GLN A 1 5 ? 0.660 -8.589 5.636 1.00 96.00 5 A 1 ATOM 35 C CG . GLN A 1 5 ? 0.709 -8.810 7.143 1.00 91.47 5 A 1 ATOM 36 C CD . GLN A 1 5 ? 0.850 -7.501 7.910 1.00 87.69 5 A 1 ATOM 37 O OE1 . GLN A 1 5 ? 1.673 -6.665 7.577 1.00 79.90 5 A 1 ATOM 38 N NE2 . GLN A 1 5 ? 0.054 -7.306 8.936 1.00 78.56 5 A 1 ATOM 39 N N . ILE A 1 6 ? -0.715 -8.249 2.781 1.00 97.27 6 A 1 ATOM 40 C CA . ILE A 1 6 ? -0.650 -7.868 1.368 1.00 97.44 6 A 1 ATOM 41 C C . ILE A 1 6 ? -1.723 -6.821 1.052 1.00 97.86 6 A 1 ATOM 42 O O . ILE A 1 6 ? -1.438 -5.801 0.420 1.00 97.76 6 A 1 ATOM 43 C CB . ILE A 1 6 ? -0.795 -9.109 0.466 1.00 97.11 6 A 1 ATOM 44 C CG1 . ILE A 1 6 ? 0.375 -10.082 0.694 1.00 95.02 6 A 1 ATOM 45 C CG2 . ILE A 1 6 ? -0.857 -8.696 -1.012 1.00 94.52 6 A 1 ATOM 46 C CD1 . ILE A 1 6 ? 0.174 -11.440 0.038 1.00 89.83 6 A 1 ATOM 47 N N . VAL A 1 7 ? -2.936 -7.068 1.512 1.00 97.93 7 A 1 ATOM 48 C CA . VAL A 1 7 ? -4.049 -6.131 1.302 1.00 98.20 7 A 1 ATOM 49 C C . VAL A 1 7 ? -3.765 -4.793 1.984 1.00 98.38 7 A 1 ATOM 50 O O . VAL A 1 7 ? -3.982 -3.730 1.399 1.00 98.23 7 A 1 ATOM 51 C CB . VAL A 1 7 ? -5.370 -6.736 1.820 1.00 97.85 7 A 1 ATOM 52 C CG1 . VAL A 1 7 ? -6.519 -5.734 1.728 1.00 95.86 7 A 1 ATOM 53 C CG2 . VAL A 1 7 ? -5.732 -7.983 1.018 1.00 95.74 7 A 1 ATOM 54 N N . LEU A 1 8 ? -3.245 -4.855 3.212 1.00 97.42 8 A 1 ATOM 55 C CA . LEU A 1 8 ? -2.911 -3.654 3.976 1.00 97.38 8 A 1 ATOM 56 C C . LEU A 1 8 ? -1.823 -2.840 3.277 1.00 97.72 8 A 1 ATOM 57 O O . LEU A 1 8 ? -1.930 -1.621 3.166 1.00 97.67 8 A 1 ATOM 58 C CB . LEU A 1 8 ? -2.469 -4.047 5.392 1.00 97.09 8 A 1 ATOM 59 C CG . LEU A 1 8 ? -2.656 -2.919 6.407 1.00 91.87 8 A 1 ATOM 60 C CD1 . LEU A 1 8 ? -3.721 -3.292 7.436 1.00 89.79 8 A 1 ATOM 61 C CD2 . LEU A 1 8 ? -1.346 -2.608 7.119 1.00 90.31 8 A 1 ATOM 62 N N . MET A 1 9 ? -0.787 -3.518 2.790 1.00 97.12 9 A 1 ATOM 63 C CA . MET A 1 9 ? 0.301 -2.854 2.062 1.00 97.37 9 A 1 ATOM 64 C C . MET A 1 9 ? -0.214 -2.201 0.780 1.00 97.83 9 A 1 ATOM 65 O O . MET A 1 9 ? 0.147 -1.068 0.469 1.00 97.63 9 A 1 ATOM 66 C CB . MET A 1 9 ? 1.400 -3.863 1.730 1.00 96.87 9 A 1 ATOM 67 C CG . MET A 1 9 ? 2.300 -4.157 2.921 1.00 91.90 9 A 1 ATOM 68 S SD . MET A 1 9 ? 3.974 -3.534 2.674 1.00 85.36 9 A 1 ATOM 69 C CE . MET A 1 9 ? 3.920 -2.038 3.648 1.00 75.72 9 A 1 ATOM 70 N N . PHE A 1 10 ? -1.068 -2.906 0.054 1.00 97.24 10 A 1 ATOM 71 C CA . PHE A 1 10 ? -1.657 -2.367 -1.173 1.00 97.42 10 A 1 ATOM 72 C C . PHE A 1 10 ? -2.494 -1.122 -0.875 1.00 97.81 10 A 1 ATOM 73 O O . PHE A 1 10 ? -2.363 -0.102 -1.553 1.00 97.66 10 A 1 ATOM 74 C CB . PHE A 1 10 ? -2.507 -3.447 -1.846 1.00 97.31 10 A 1 ATOM 75 C CG . PHE A 1 10 ? -2.774 -3.145 -3.299 1.00 95.75 10 A 1 ATOM 76 C CD1 . PHE A 1 10 ? -3.890 -2.401 -3.677 1.00 92.72 10 A 1 ATOM 77 C CD2 . PHE A 1 10 ? -1.894 -3.608 -4.276 1.00 92.95 10 A 1 ATOM 78 C CE1 . PHE A 1 10 ? -4.128 -2.110 -5.018 1.00 92.11 10 A 1 ATOM 79 C CE2 . PHE A 1 10 ? -2.131 -3.321 -5.621 1.00 91.59 10 A 1 ATOM 80 C CZ . PHE A 1 10 ? -3.244 -2.571 -5.994 1.00 92.29 10 A 1 ATOM 81 N N . CYS A 1 11 ? -3.307 -1.196 0.166 1.00 97.71 11 A 1 ATOM 82 C CA . CYS A 1 11 ? -4.129 -0.059 0.584 1.00 97.89 11 A 1 ATOM 83 C C . CYS A 1 11 ? -3.261 1.134 0.996 1.00 97.97 11 A 1 ATOM 84 O O . CYS A 1 11 ? -3.560 2.276 0.647 1.00 97.17 11 A 1 ATOM 85 C CB . CYS A 1 11 ? -5.041 -0.494 1.739 1.00 97.40 11 A 1 ATOM 86 S SG . CYS A 1 11 ? -6.241 0.789 2.145 1.00 94.43 11 A 1 ATOM 87 N N . LEU A 1 12 ? -2.172 0.856 1.709 1.00 97.65 12 A 1 ATOM 88 C CA . LEU A 1 12 ? -1.231 1.889 2.138 1.00 97.51 12 A 1 ATOM 89 C C . LEU A 1 12 ? -0.594 2.585 0.937 1.00 97.75 12 A 1 ATOM 90 O O . LEU A 1 12 ? -0.555 3.813 0.881 1.00 97.34 12 A 1 ATOM 91 C CB . LEU A 1 12 ? -0.153 1.257 3.028 1.00 97.18 12 A 1 ATOM 92 C CG . LEU A 1 12 ? 0.810 2.272 3.654 1.00 91.82 12 A 1 ATOM 93 C CD1 . LEU A 1 12 ? 0.164 2.960 4.852 1.00 89.22 12 A 1 ATOM 94 C CD2 . LEU A 1 12 ? 2.091 1.583 4.093 1.00 89.58 12 A 1 ATOM 95 N N . VAL A 1 13 ? -0.110 1.807 -0.023 1.00 97.49 13 A 1 ATOM 96 C CA . VAL A 1 13 ? 0.533 2.356 -1.222 1.00 97.42 13 A 1 ATOM 97 C C . VAL A 1 13 ? -0.448 3.217 -2.014 1.00 97.55 13 A 1 ATOM 98 O O . VAL A 1 13 ? -0.110 4.330 -2.424 1.00 96.92 13 A 1 ATOM 99 C CB . VAL A 1 13 ? 1.106 1.226 -2.099 1.00 96.58 13 A 1 ATOM 100 C CG1 . VAL A 1 13 ? 1.618 1.756 -3.435 1.00 93.97 13 A 1 ATOM 101 C CG2 . VAL A 1 13 ? 2.253 0.523 -1.377 1.00 94.66 13 A 1 ATOM 102 N N . VAL A 1 14 ? -1.657 2.722 -2.210 1.00 97.83 14 A 1 ATOM 103 C CA . VAL A 1 14 ? -2.691 3.470 -2.932 1.00 97.65 14 A 1 ATOM 104 C C . VAL A 1 14 ? -3.048 4.755 -2.185 1.00 97.77 14 A 1 ATOM 105 O O . VAL A 1 14 ? -3.142 5.820 -2.797 1.00 97.24 14 A 1 ATOM 106 C CB . VAL A 1 14 ? -3.936 2.590 -3.150 1.00 96.87 14 A 1 ATOM 107 C CG1 . VAL A 1 14 ? -5.090 3.392 -3.743 1.00 93.96 14 A 1 ATOM 108 C CG2 . VAL A 1 14 ? -3.608 1.433 -4.091 1.00 94.38 14 A 1 ATOM 109 N N . GLY A 1 15 ? -3.205 4.666 -0.873 1.00 97.82 15 A 1 ATOM 110 C CA . GLY A 1 15 ? -3.517 5.830 -0.050 1.00 97.68 15 A 1 ATOM 111 C C . GLY A 1 15 ? -2.424 6.887 -0.104 1.00 98.03 15 A 1 ATOM 112 O O . GLY A 1 15 ? -2.711 8.073 -0.274 1.00 97.70 15 A 1 ATOM 113 N N . VAL A 1 16 ? -1.167 6.465 0.006 1.00 97.88 16 A 1 ATOM 114 C CA . VAL A 1 16 ? -0.021 7.380 -0.069 1.00 97.72 16 A 1 ATOM 115 C C . VAL A 1 16 ? 0.066 8.021 -1.451 1.00 97.96 16 A 1 ATOM 116 O O . VAL A 1 16 ? 0.282 9.229 -1.559 1.00 97.60 16 A 1 ATOM 117 C CB . VAL A 1 16 ? 1.290 6.649 0.277 1.00 96.87 16 A 1 ATOM 118 C CG1 . VAL A 1 16 ? 2.510 7.528 0.014 1.00 93.46 16 A 1 ATOM 119 C CG2 . VAL A 1 16 ? 1.293 6.241 1.746 1.00 94.18 16 A 1 ATOM 120 N N . ALA A 1 17 ? -0.126 7.229 -2.496 1.00 98.16 17 A 1 ATOM 121 C CA . ALA A 1 17 ? -0.092 7.740 -3.863 1.00 98.10 17 A 1 ATOM 122 C C . ALA A 1 17 ? -1.181 8.791 -4.093 1.00 98.18 17 A 1 ATOM 123 O O . ALA A 1 17 ? -0.921 9.836 -4.689 1.00 97.78 17 A 1 ATOM 124 C CB . ALA A 1 17 ? -0.242 6.580 -4.846 1.00 97.72 17 A 1 ATOM 125 N N . GLN A 1 18 ? -2.379 8.533 -3.593 1.00 97.87 18 A 1 ATOM 126 C CA . GLN A 1 18 ? -3.490 9.482 -3.705 1.00 97.72 18 A 1 ATOM 127 C C . GLN A 1 18 ? -3.212 10.757 -2.912 1.00 97.85 18 A 1 ATOM 128 O O . GLN A 1 18 ? -3.468 11.857 -3.401 1.00 97.04 18 A 1 ATOM 129 C CB . GLN A 1 18 ? -4.782 8.824 -3.224 1.00 97.07 18 A 1 ATOM 130 C CG . GLN A 1 18 ? -5.304 7.799 -4.226 1.00 92.81 18 A 1 ATOM 131 C CD . GLN A 1 18 ? -6.539 7.081 -3.718 1.00 89.62 18 A 1 ATOM 132 O OE1 . GLN A 1 18 ? -6.577 6.570 -2.606 1.00 83.86 18 A 1 ATOM 133 N NE2 . GLN A 1 18 ? -7.586 7.024 -4.516 1.00 82.98 18 A 1 ATOM 134 N N . THR A 1 19 ? -2.655 10.611 -1.712 1.00 97.82 19 A 1 ATOM 135 C CA . THR A 1 19 ? -2.309 11.766 -0.876 1.00 97.51 19 A 1 ATOM 136 C C . THR A 1 19 ? -1.220 12.613 -1.534 1.00 97.69 19 A 1 ATOM 137 O O . THR A 1 19 ? -1.290 13.840 -1.504 1.00 96.94 19 A 1 ATOM 138 C CB . THR A 1 19 ? -1.839 11.306 0.511 1.00 96.54 19 A 1 ATOM 139 O OG1 . THR A 1 19 ? -2.843 10.500 1.108 1.00 90.40 19 A 1 ATOM 140 C CG2 . THR A 1 19 ? -1.579 12.485 1.440 1.00 89.41 19 A 1 ATOM 141 N N . ALA A 1 20 ? -0.230 11.968 -2.134 1.00 97.66 20 A 1 ATOM 142 C CA . ALA A 1 20 ? 0.852 12.670 -2.823 1.00 97.53 20 A 1 ATOM 143 C C . ALA A 1 20 ? 0.350 13.392 -4.076 1.00 97.70 20 A 1 ATOM 144 O O . ALA A 1 20 ? 0.857 14.459 -4.421 1.00 97.03 20 A 1 ATOM 145 C CB . ALA A 1 20 ? 1.957 11.677 -3.180 1.00 97.00 20 A 1 ATOM 146 N N . LEU A 1 21 ? -0.640 12.814 -4.743 1.00 96.84 21 A 1 ATOM 147 C CA . LEU A 1 21 ? -1.234 13.410 -5.940 1.00 96.28 21 A 1 ATOM 148 C C . LEU A 1 21 ? -2.172 14.566 -5.598 1.00 96.02 21 A 1 ATOM 149 O O . LEU A 1 21 ? -2.273 15.532 -6.358 1.00 94.61 21 A 1 ATOM 150 C CB . LEU A 1 21 ? -1.989 12.326 -6.722 1.00 95.22 21 A 1 ATOM 151 C CG . LEU A 1 21 ? -2.268 12.689 -8.177 1.00 89.47 21 A 1 ATOM 152 C CD1 . LEU A 1 21 ? -1.059 12.385 -9.055 1.00 84.63 21 A 1 ATOM 153 C CD2 . LEU A 1 21 ? -3.481 11.931 -8.699 1.00 83.04 21 A 1 ATOM 154 N N . ALA A 1 22 ? -2.854 14.460 -4.463 1.00 94.02 22 A 1 ATOM 155 C CA . ALA A 1 22 ? -3.828 15.452 -4.022 1.00 91.70 22 A 1 ATOM 156 C C . ALA A 1 22 ? -3.171 16.695 -3.424 1.00 89.36 22 A 1 ATOM 157 O O . ALA A 1 22 ? -2.041 16.609 -2.910 1.00 85.56 22 A 1 ATOM 158 C CB . ALA A 1 22 ? -4.798 14.818 -3.030 1.00 87.56 22 A 1 ATOM 159 O OXT . ALA A 1 22 ? -3.820 17.750 -3.431 1.00 79.35 22 A 1 #