# 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_spkb20337 # _entry.id spkb20337 # 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" "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" "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 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" "C5 H9 N O2" 115.130 PRO y PROLINE C1C[C@H](NC1)C(=O)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 GLU 2 1 n GLY 3 1 n ALA 4 1 n THR 5 1 n GLY 6 1 n LEU 7 1 n ARG 8 1 n VAL 9 1 n LEU 10 1 n LEU 11 1 n CYS 12 1 n LEU 13 1 n LEU 14 1 n PRO 15 1 n LEU 16 1 n LEU 17 1 n THR 18 1 n LEU 19 1 n GLN 20 1 n ALA 21 1 n ARG 22 1 n PRO 23 1 n ALA 24 1 n LEU 25 1 n GLY 26 # _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 @ 2025-07-02 19:40:28)" _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 87.33 _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 73.80 1 1 A GLU 2 2 72.11 1 2 A GLY 3 2 87.00 1 3 A ALA 4 2 89.23 1 4 A THR 5 2 87.86 1 5 A GLY 6 2 93.48 1 6 A LEU 7 2 89.30 1 7 A ARG 8 2 84.97 1 8 A VAL 9 2 92.83 1 9 A LEU 10 2 91.09 1 10 A LEU 11 2 91.33 1 11 A CYS 12 2 93.35 1 12 A LEU 13 2 92.37 1 13 A LEU 14 2 91.23 1 14 A PRO 15 2 93.45 1 15 A LEU 16 2 91.67 1 16 A LEU 17 2 92.41 1 17 A THR 18 2 90.60 1 18 A LEU 19 2 91.34 1 19 A GLN 20 2 86.29 1 20 A ALA 21 2 93.15 1 21 A ARG 22 2 80.91 1 22 A PRO 23 2 87.70 1 23 A ALA 24 2 85.98 1 24 A LEU 25 2 83.25 1 25 A GLY 26 2 72.32 1 26 # _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 GLU . 2 A 2 A 3 1 n GLY . 3 A 3 A 4 1 n ALA . 4 A 4 A 5 1 n THR . 5 A 5 A 6 1 n GLY . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n ARG . 8 A 8 A 9 1 n VAL . 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 LEU . 14 A 14 A 15 1 n PRO . 15 A 15 A 16 1 n LEU . 16 A 16 A 17 1 n LEU . 17 A 17 A 18 1 n THR . 18 A 18 A 19 1 n LEU . 19 A 19 A 20 1 n GLN . 20 A 20 A 21 1 n ALA . 21 A 21 A 22 1 n ARG . 22 A 22 A 23 1 n PRO . 23 A 23 A 24 1 n ALA . 24 A 24 A 25 1 n LEU . 25 A 25 A 26 1 n GLY . 26 A 26 # _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 ? -21.040 0.256 2.273 1.00 81.04 1 A 1 ATOM 2 C CA . MET A 1 1 ? -19.693 0.134 1.691 1.00 82.25 1 A 1 ATOM 3 C C . MET A 1 1 ? -18.646 -0.067 2.787 1.00 83.71 1 A 1 ATOM 4 O O . MET A 1 1 ? -17.672 0.680 2.864 1.00 78.62 1 A 1 ATOM 5 C CB . MET A 1 1 ? -19.333 1.389 0.885 1.00 76.00 1 A 1 ATOM 6 C CG . MET A 1 1 ? -20.286 1.678 -0.262 1.00 69.03 1 A 1 ATOM 7 S SD . MET A 1 1 ? -19.811 3.184 -1.149 1.00 62.63 1 A 1 ATOM 8 C CE . MET A 1 1 ? -21.139 3.284 -2.344 1.00 57.15 1 A 1 ATOM 9 N N . GLU A 1 2 ? -18.845 -1.051 3.644 1.00 81.29 2 A 1 ATOM 10 C CA . GLU A 1 2 ? -18.011 -1.185 4.845 1.00 82.45 2 A 1 ATOM 11 C C . GLU A 1 2 ? -16.755 -2.030 4.602 1.00 84.08 2 A 1 ATOM 12 O O . GLU A 1 2 ? -15.675 -1.681 5.072 1.00 78.25 2 A 1 ATOM 13 C CB . GLU A 1 2 ? -18.844 -1.785 5.983 1.00 76.82 2 A 1 ATOM 14 C CG . GLU A 1 2 ? -19.962 -0.860 6.476 1.00 67.06 2 A 1 ATOM 15 C CD . GLU A 1 2 ? -21.069 -0.675 5.455 1.00 63.31 2 A 1 ATOM 16 O OE1 . GLU A 1 2 ? -21.388 -1.648 4.748 1.00 56.37 2 A 1 ATOM 17 O OE2 . GLU A 1 2 ? -21.591 0.436 5.354 1.00 59.32 2 A 1 ATOM 18 N N . GLY A 1 3 ? -16.888 -3.131 3.844 1.00 85.06 3 A 1 ATOM 19 C CA . GLY A 1 3 ? -15.766 -4.052 3.640 1.00 87.70 3 A 1 ATOM 20 C C . GLY A 1 3 ? -14.715 -3.557 2.659 1.00 89.67 3 A 1 ATOM 21 O O . GLY A 1 3 ? -13.517 -3.639 2.921 1.00 85.56 3 A 1 ATOM 22 N N . ALA A 1 4 ? -15.146 -3.020 1.502 1.00 88.54 4 A 1 ATOM 23 C CA . ALA A 1 4 ? -14.228 -2.601 0.442 1.00 90.62 4 A 1 ATOM 24 C C . ALA A 1 4 ? -13.339 -1.429 0.861 1.00 91.74 4 A 1 ATOM 25 O O . ALA A 1 4 ? -12.192 -1.327 0.424 1.00 88.40 4 A 1 ATOM 26 C CB . ALA A 1 4 ? -15.023 -2.244 -0.811 1.00 86.83 4 A 1 ATOM 27 N N . THR A 1 5 ? -13.849 -0.541 1.714 1.00 92.25 5 A 1 ATOM 28 C CA . THR A 1 5 ? -13.090 0.624 2.174 1.00 93.22 5 A 1 ATOM 29 C C . THR A 1 5 ? -11.877 0.206 3.001 1.00 93.80 5 A 1 ATOM 30 O O . THR A 1 5 ? -10.788 0.746 2.820 1.00 91.41 5 A 1 ATOM 31 C CB . THR A 1 5 ? -13.981 1.570 2.983 1.00 90.38 5 A 1 ATOM 32 O OG1 . THR A 1 5 ? -15.087 1.979 2.181 1.00 78.56 5 A 1 ATOM 33 C CG2 . THR A 1 5 ? -13.216 2.811 3.418 1.00 75.38 5 A 1 ATOM 34 N N . GLY A 1 6 ? -12.047 -0.773 3.883 1.00 93.31 6 A 1 ATOM 35 C CA . GLY A 1 6 ? -10.945 -1.261 4.712 1.00 93.57 6 A 1 ATOM 36 C C . GLY A 1 6 ? -9.814 -1.854 3.887 1.00 94.29 6 A 1 ATOM 37 O O . GLY A 1 6 ? -8.639 -1.580 4.141 1.00 92.74 6 A 1 ATOM 38 N N . LEU A 1 7 ? -10.159 -2.649 2.870 1.00 94.02 7 A 1 ATOM 39 C CA . LEU A 1 7 ? -9.160 -3.254 1.988 1.00 94.10 7 A 1 ATOM 40 C C . LEU A 1 7 ? -8.386 -2.194 1.207 1.00 94.57 7 A 1 ATOM 41 O O . LEU A 1 7 ? -7.169 -2.287 1.071 1.00 93.46 7 A 1 ATOM 42 C CB . LEU A 1 7 ? -9.826 -4.233 1.020 1.00 93.11 7 A 1 ATOM 43 C CG . LEU A 1 7 ? -10.421 -5.480 1.676 1.00 85.39 7 A 1 ATOM 44 C CD1 . LEU A 1 7 ? -11.153 -6.315 0.635 1.00 79.94 7 A 1 ATOM 45 C CD2 . LEU A 1 7 ? -9.337 -6.321 2.338 1.00 79.81 7 A 1 ATOM 46 N N . ARG A 1 8 ? -9.082 -1.165 0.709 1.00 94.04 8 A 1 ATOM 47 C CA . ARG A 1 8 ? -8.431 -0.082 -0.031 1.00 94.53 8 A 1 ATOM 48 C C . ARG A 1 8 ? -7.452 0.690 0.847 1.00 95.37 8 A 1 ATOM 49 O O . ARG A 1 8 ? -6.356 1.029 0.399 1.00 94.19 8 A 1 ATOM 50 C CB . ARG A 1 8 ? -9.473 0.862 -0.621 1.00 93.50 8 A 1 ATOM 51 C CG . ARG A 1 8 ? -10.185 0.242 -1.813 1.00 86.42 8 A 1 ATOM 52 C CD . ARG A 1 8 ? -11.173 1.224 -2.427 1.00 84.25 8 A 1 ATOM 53 N NE . ARG A 1 8 ? -12.332 1.442 -1.551 1.00 78.47 8 A 1 ATOM 54 C CZ . ARG A 1 8 ? -13.236 2.407 -1.711 1.00 75.70 8 A 1 ATOM 55 N NH1 . ARG A 1 8 ? -13.135 3.268 -2.694 1.00 68.28 8 A 1 ATOM 56 N NH2 . ARG A 1 8 ? -14.252 2.508 -0.875 1.00 69.90 8 A 1 ATOM 57 N N . VAL A 1 9 ? -7.815 0.952 2.094 1.00 94.28 9 A 1 ATOM 58 C CA . VAL A 1 9 ? -6.929 1.636 3.037 1.00 94.51 9 A 1 ATOM 59 C C . VAL A 1 9 ? -5.660 0.814 3.282 1.00 95.21 9 A 1 ATOM 60 O O . VAL A 1 9 ? -4.549 1.347 3.247 1.00 94.18 9 A 1 ATOM 61 C CB . VAL A 1 9 ? -7.647 1.928 4.363 1.00 93.58 9 A 1 ATOM 62 C CG1 . VAL A 1 9 ? -6.680 2.473 5.414 1.00 88.86 9 A 1 ATOM 63 C CG2 . VAL A 1 9 ? -8.763 2.936 4.141 1.00 89.16 9 A 1 ATOM 64 N N . LEU A 1 10 ? -5.820 -0.492 3.502 1.00 95.30 10 A 1 ATOM 65 C CA . LEU A 1 10 ? -4.674 -1.376 3.715 1.00 94.86 10 A 1 ATOM 66 C C . LEU A 1 10 ? -3.773 -1.445 2.483 1.00 95.16 10 A 1 ATOM 67 O O . LEU A 1 10 ? -2.548 -1.405 2.607 1.00 94.37 10 A 1 ATOM 68 C CB . LEU A 1 10 ? -5.152 -2.781 4.092 1.00 94.43 10 A 1 ATOM 69 C CG . LEU A 1 10 ? -5.795 -2.890 5.473 1.00 87.72 10 A 1 ATOM 70 C CD1 . LEU A 1 10 ? -6.380 -4.284 5.669 1.00 83.18 10 A 1 ATOM 71 C CD2 . LEU A 1 10 ? -4.780 -2.601 6.575 1.00 83.71 10 A 1 ATOM 72 N N . LEU A 1 11 ? -4.355 -1.524 1.285 1.00 95.29 11 A 1 ATOM 73 C CA . LEU A 1 11 ? -3.595 -1.571 0.035 1.00 94.81 11 A 1 ATOM 74 C C . LEU A 1 11 ? -2.791 -0.293 -0.201 1.00 95.25 11 A 1 ATOM 75 O O . LEU A 1 11 ? -1.719 -0.338 -0.807 1.00 94.60 11 A 1 ATOM 76 C CB . LEU A 1 11 ? -4.537 -1.821 -1.147 1.00 94.13 11 A 1 ATOM 77 C CG . LEU A 1 11 ? -5.109 -3.240 -1.218 1.00 87.17 11 A 1 ATOM 78 C CD1 . LEU A 1 11 ? -6.184 -3.314 -2.302 1.00 84.36 11 A 1 ATOM 79 C CD2 . LEU A 1 11 ? -4.013 -4.259 -1.512 1.00 85.02 11 A 1 ATOM 80 N N . CYS A 1 12 ? -3.287 0.843 0.276 1.00 95.09 12 A 1 ATOM 81 C CA . CYS A 1 12 ? -2.553 2.102 0.178 1.00 94.64 12 A 1 ATOM 82 C C . CYS A 1 12 ? -1.462 2.211 1.245 1.00 95.00 12 A 1 ATOM 83 O O . CYS A 1 12 ? -0.392 2.758 0.997 1.00 93.36 12 A 1 ATOM 84 C CB . CYS A 1 12 ? -3.522 3.278 0.305 1.00 93.43 12 A 1 ATOM 85 S SG . CYS A 1 12 ? -4.643 3.411 -1.104 1.00 88.60 12 A 1 ATOM 86 N N . LEU A 1 13 ? -1.735 1.684 2.438 1.00 94.78 13 A 1 ATOM 87 C CA . LEU A 1 13 ? -0.815 1.800 3.569 1.00 94.68 13 A 1 ATOM 88 C C . LEU A 1 13 ? 0.372 0.842 3.473 1.00 95.29 13 A 1 ATOM 89 O O . LEU A 1 13 ? 1.502 1.213 3.808 1.00 94.46 13 A 1 ATOM 90 C CB . LEU A 1 13 ? -1.586 1.563 4.874 1.00 94.22 13 A 1 ATOM 91 C CG . LEU A 1 13 ? -0.776 1.777 6.155 1.00 90.76 13 A 1 ATOM 92 C CD1 . LEU A 1 13 ? -0.313 3.226 6.279 1.00 87.54 13 A 1 ATOM 93 C CD2 . LEU A 1 13 ? -1.612 1.393 7.366 1.00 87.26 13 A 1 ATOM 94 N N . LEU A 1 14 ? 0.137 -0.394 3.012 1.00 95.11 14 A 1 ATOM 95 C CA . LEU A 1 14 ? 1.181 -1.418 2.918 1.00 94.31 14 A 1 ATOM 96 C C . LEU A 1 14 ? 2.396 -0.985 2.084 1.00 94.84 14 A 1 ATOM 97 O O . LEU A 1 14 ? 3.528 -1.129 2.556 1.00 94.48 14 A 1 ATOM 98 C CB . LEU A 1 14 ? 0.593 -2.724 2.373 1.00 93.50 14 A 1 ATOM 99 C CG . LEU A 1 14 ? -0.275 -3.494 3.366 1.00 87.70 14 A 1 ATOM 100 C CD1 . LEU A 1 14 ? -0.986 -4.646 2.658 1.00 84.85 14 A 1 ATOM 101 C CD2 . LEU A 1 14 ? 0.568 -4.036 4.518 1.00 85.03 14 A 1 ATOM 102 N N . PRO A 1 15 ? 2.229 -0.456 0.852 1.00 94.46 15 A 1 ATOM 103 C CA . PRO A 1 15 ? 3.390 -0.013 0.066 1.00 93.73 15 A 1 ATOM 104 C C . PRO A 1 15 ? 4.128 1.152 0.718 1.00 94.39 15 A 1 ATOM 105 O O . PRO A 1 15 ? 5.354 1.217 0.638 1.00 93.33 15 A 1 ATOM 106 C CB . PRO A 1 15 ? 2.802 0.386 -1.293 1.00 92.52 15 A 1 ATOM 107 C CG . PRO A 1 15 ? 1.352 0.643 -1.025 1.00 91.86 15 A 1 ATOM 108 C CD . PRO A 1 15 ? 0.995 -0.307 0.096 1.00 93.83 15 A 1 ATOM 109 N N . LEU A 1 16 ? 3.426 2.055 1.389 1.00 94.70 16 A 1 ATOM 110 C CA . LEU A 1 16 ? 4.055 3.173 2.082 1.00 94.07 16 A 1 ATOM 111 C C . LEU A 1 16 ? 4.944 2.682 3.221 1.00 94.18 16 A 1 ATOM 112 O O . LEU A 1 16 ? 6.082 3.136 3.369 1.00 92.85 16 A 1 ATOM 113 C CB . LEU A 1 16 ? 2.992 4.134 2.622 1.00 93.62 16 A 1 ATOM 114 C CG . LEU A 1 16 ? 2.183 4.866 1.551 1.00 89.92 16 A 1 ATOM 115 C CD1 . LEU A 1 16 ? 1.071 5.682 2.201 1.00 86.95 16 A 1 ATOM 116 C CD2 . LEU A 1 16 ? 3.079 5.781 0.722 1.00 87.11 16 A 1 ATOM 117 N N . LEU A 1 17 ? 4.440 1.731 4.013 1.00 95.66 17 A 1 ATOM 118 C CA . LEU A 1 17 ? 5.212 1.144 5.105 1.00 94.61 17 A 1 ATOM 119 C C . LEU A 1 17 ? 6.426 0.385 4.579 1.00 94.48 17 A 1 ATOM 120 O O . LEU A 1 17 ? 7.507 0.446 5.166 1.00 93.19 17 A 1 ATOM 121 C CB . LEU A 1 17 ? 4.327 0.209 5.929 1.00 94.31 17 A 1 ATOM 122 C CG . LEU A 1 17 ? 3.205 0.902 6.701 1.00 91.58 17 A 1 ATOM 123 C CD1 . LEU A 1 17 ? 2.311 -0.145 7.363 1.00 87.38 17 A 1 ATOM 124 C CD2 . LEU A 1 17 ? 3.765 1.846 7.758 1.00 88.09 17 A 1 ATOM 125 N N . THR A 1 18 ? 6.272 -0.318 3.456 1.00 94.76 18 A 1 ATOM 126 C CA . THR A 1 18 ? 7.365 -1.069 2.836 1.00 93.38 18 A 1 ATOM 127 C C . THR A 1 18 ? 8.480 -0.138 2.361 1.00 92.63 18 A 1 ATOM 128 O O . THR A 1 18 ? 9.659 -0.415 2.581 1.00 90.91 18 A 1 ATOM 129 C CB . THR A 1 18 ? 6.850 -1.901 1.657 1.00 92.03 18 A 1 ATOM 130 O OG1 . THR A 1 18 ? 5.838 -2.790 2.103 1.00 86.60 18 A 1 ATOM 131 C CG2 . THR A 1 18 ? 7.976 -2.724 1.038 1.00 83.89 18 A 1 ATOM 132 N N . LEU A 1 19 ? 8.133 0.981 1.730 1.00 94.95 19 A 1 ATOM 133 C CA . LEU A 1 19 ? 9.113 1.957 1.261 1.00 94.05 19 A 1 ATOM 134 C C . LEU A 1 19 ? 9.864 2.601 2.423 1.00 93.86 19 A 1 ATOM 135 O O . LEU A 1 19 ? 11.065 2.856 2.325 1.00 92.26 19 A 1 ATOM 136 C CB . LEU A 1 19 ? 8.424 3.036 0.421 1.00 93.68 19 A 1 ATOM 137 C CG . LEU A 1 19 ? 7.912 2.556 -0.936 1.00 90.61 19 A 1 ATOM 138 C CD1 . LEU A 1 19 ? 7.063 3.640 -1.592 1.00 85.84 19 A 1 ATOM 139 C CD2 . LEU A 1 19 ? 9.071 2.188 -1.856 1.00 85.43 19 A 1 ATOM 140 N N . GLN A 1 20 ? 9.173 2.853 3.530 1.00 94.50 20 A 1 ATOM 141 C CA . GLN A 1 20 ? 9.802 3.424 4.717 1.00 93.02 20 A 1 ATOM 142 C C . GLN A 1 20 ? 10.759 2.432 5.381 1.00 92.56 20 A 1 ATOM 143 O O . GLN A 1 20 ? 11.832 2.817 5.844 1.00 90.88 20 A 1 ATOM 144 C CB . GLN A 1 20 ? 8.739 3.865 5.724 1.00 91.96 20 A 1 ATOM 145 C CG . GLN A 1 20 ? 7.934 5.070 5.250 1.00 85.59 20 A 1 ATOM 146 C CD . GLN A 1 20 ? 6.849 5.467 6.233 1.00 80.77 20 A 1 ATOM 147 O OE1 . GLN A 1 20 ? 6.685 4.862 7.287 1.00 74.59 20 A 1 ATOM 148 N NE2 . GLN A 1 20 ? 6.083 6.493 5.913 1.00 72.73 20 A 1 ATOM 149 N N . ALA A 1 21 ? 10.375 1.159 5.414 1.00 94.45 21 A 1 ATOM 150 C CA . ALA A 1 21 ? 11.189 0.126 6.045 1.00 93.68 21 A 1 ATOM 151 C C . ALA A 1 21 ? 12.386 -0.276 5.186 1.00 93.57 21 A 1 ATOM 152 O O . ALA A 1 21 ? 13.452 -0.606 5.713 1.00 91.62 21 A 1 ATOM 153 C CB . ALA A 1 21 ? 10.323 -1.094 6.346 1.00 92.42 21 A 1 ATOM 154 N N . ARG A 1 22 ? 12.227 -0.262 3.855 1.00 93.32 22 A 1 ATOM 155 C CA . ARG A 1 22 ? 13.281 -0.675 2.924 1.00 92.06 22 A 1 ATOM 156 C C . ARG A 1 22 ? 13.398 0.307 1.757 1.00 92.18 22 A 1 ATOM 157 O O . ARG A 1 22 ? 12.835 0.075 0.685 1.00 89.88 22 A 1 ATOM 158 C CB . ARG A 1 22 ? 13.007 -2.091 2.407 1.00 90.12 22 A 1 ATOM 159 C CG . ARG A 1 22 ? 13.062 -3.137 3.510 1.00 80.59 22 A 1 ATOM 160 C CD . ARG A 1 22 ? 12.889 -4.532 2.938 1.00 78.17 22 A 1 ATOM 161 N NE . ARG A 1 22 ? 12.977 -5.548 3.991 1.00 74.69 22 A 1 ATOM 162 C CZ . ARG A 1 22 ? 12.916 -6.857 3.790 1.00 69.96 22 A 1 ATOM 163 N NH1 . ARG A 1 22 ? 12.758 -7.350 2.576 1.00 63.35 22 A 1 ATOM 164 N NH2 . ARG A 1 22 ? 13.011 -7.688 4.804 1.00 65.71 22 A 1 ATOM 165 N N . PRO A 1 23 ? 14.167 1.391 1.926 1.00 90.26 23 A 1 ATOM 166 C CA . PRO A 1 23 ? 14.359 2.397 0.876 1.00 89.99 23 A 1 ATOM 167 C C . PRO A 1 23 ? 15.135 1.865 -0.333 1.00 90.24 23 A 1 ATOM 168 O O . PRO A 1 23 ? 15.138 2.493 -1.389 1.00 86.47 23 A 1 ATOM 169 C CB . PRO A 1 23 ? 15.131 3.523 1.577 1.00 87.52 23 A 1 ATOM 170 C CG . PRO A 1 23 ? 15.838 2.844 2.717 1.00 83.24 23 A 1 ATOM 171 C CD . PRO A 1 23 ? 14.899 1.745 3.150 1.00 86.16 23 A 1 ATOM 172 N N . ALA A 1 24 ? 15.787 0.704 -0.201 1.00 88.41 24 A 1 ATOM 173 C CA . ALA A 1 24 ? 16.546 0.078 -1.285 1.00 86.61 24 A 1 ATOM 174 C C . ALA A 1 24 ? 15.661 -0.356 -2.457 1.00 87.14 24 A 1 ATOM 175 O O . ALA A 1 24 ? 16.164 -0.615 -3.549 1.00 84.14 24 A 1 ATOM 176 C CB . ALA A 1 24 ? 17.325 -1.120 -0.743 1.00 83.58 24 A 1 ATOM 177 N N . LEU A 1 25 ? 14.349 -0.440 -2.232 1.00 89.09 25 A 1 ATOM 178 C CA . LEU A 1 25 ? 13.401 -0.798 -3.287 1.00 88.34 25 A 1 ATOM 179 C C . LEU A 1 25 ? 13.149 0.355 -4.257 1.00 89.58 25 A 1 ATOM 180 O O . LEU A 1 25 ? 12.629 0.144 -5.352 1.00 86.37 25 A 1 ATOM 181 C CB . LEU A 1 25 ? 12.079 -1.258 -2.661 1.00 86.80 25 A 1 ATOM 182 C CG . LEU A 1 25 ? 12.174 -2.551 -1.842 1.00 79.20 25 A 1 ATOM 183 C CD1 . LEU A 1 25 ? 10.841 -2.827 -1.154 1.00 74.35 25 A 1 ATOM 184 C CD2 . LEU A 1 25 ? 12.548 -3.727 -2.730 1.00 72.24 25 A 1 ATOM 185 N N . GLY A 1 26 ? 13.514 1.571 -3.848 1.00 80.21 26 A 1 ATOM 186 C CA . GLY A 1 26 ? 13.352 2.750 -4.689 1.00 75.96 26 A 1 ATOM 187 C C . GLY A 1 26 ? 14.666 3.198 -5.305 1.00 70.90 26 A 1 ATOM 188 O O . GLY A 1 26 ? 15.702 3.128 -4.624 1.00 65.53 26 A 1 ATOM 189 O OXT . GLY A 1 26 ? 14.660 3.640 -6.469 1.00 68.98 26 A 1 #