# 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_spkb26423 # _entry.id spkb26423 # 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" "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" "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 LYS 2 1 n MET 3 1 n SER 4 1 n ILE 5 1 n VAL 6 1 n ILE 7 1 n ILE 8 1 n LEU 9 1 n LEU 10 1 n LEU 11 1 n PHE 12 1 n THR 13 1 n CYS 14 1 n LEU 15 1 n ILE 16 1 n ALA 17 1 n THR 18 1 n ASN 19 1 n GLY 20 1 n ALA 21 1 n SER 22 1 n GLY 23 # _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 @ 2025-07-12 16:18:52)" _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 94.23 _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 89.19 1 1 A LYS 2 2 90.33 1 2 A MET 3 2 92.19 1 3 A SER 4 2 96.49 1 4 A ILE 5 2 96.99 1 5 A VAL 6 2 98.41 1 6 A ILE 7 2 97.42 1 7 A ILE 8 2 97.49 1 8 A LEU 9 2 95.47 1 9 A LEU 10 2 96.35 1 10 A LEU 11 2 95.98 1 11 A PHE 12 2 95.12 1 12 A THR 13 2 97.01 1 13 A CYS 14 2 97.25 1 14 A LEU 15 2 95.21 1 15 A ILE 16 2 96.45 1 16 A ALA 17 2 98.19 1 17 A THR 18 2 95.14 1 18 A ASN 19 2 91.31 1 19 A GLY 20 2 93.07 1 20 A ALA 21 2 92.59 1 21 A SER 22 2 86.11 1 22 A GLY 23 2 78.31 1 23 # _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 LYS . 2 A 2 A 3 1 n MET . 3 A 3 A 4 1 n SER . 4 A 4 A 5 1 n ILE . 5 A 5 A 6 1 n VAL . 6 A 6 A 7 1 n ILE . 7 A 7 A 8 1 n ILE . 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 PHE . 12 A 12 A 13 1 n THR . 13 A 13 A 14 1 n CYS . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n ILE . 16 A 16 A 17 1 n ALA . 17 A 17 A 18 1 n THR . 18 A 18 A 19 1 n ASN . 19 A 19 A 20 1 n GLY . 20 A 20 A 21 1 n ALA . 21 A 21 A 22 1 n SER . 22 A 22 A 23 1 n GLY . 23 A 23 # _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 ? 14.173 -4.562 0.540 1.00 97.03 1 A 1 ATOM 2 C CA . MET A 1 1 ? 14.409 -3.522 1.567 1.00 97.24 1 A 1 ATOM 3 C C . MET A 1 1 ? 13.124 -3.303 2.358 1.00 97.36 1 A 1 ATOM 4 O O . MET A 1 1 ? 12.061 -3.216 1.756 1.00 95.06 1 A 1 ATOM 5 C CB . MET A 1 1 ? 14.876 -2.212 0.916 1.00 94.01 1 A 1 ATOM 6 C CG . MET A 1 1 ? 16.262 -2.357 0.267 1.00 83.66 1 A 1 ATOM 7 S SD . MET A 1 1 ? 16.799 -0.842 -0.555 1.00 78.86 1 A 1 ATOM 8 C CE . MET A 1 1 ? 18.413 -1.337 -1.170 1.00 70.33 1 A 1 ATOM 9 N N . LYS A 1 2 ? 13.191 -3.241 3.701 1.00 97.97 2 A 1 ATOM 10 C CA . LYS A 1 2 ? 11.990 -3.215 4.572 1.00 97.94 2 A 1 ATOM 11 C C . LYS A 1 2 ? 11.082 -1.988 4.354 1.00 97.89 2 A 1 ATOM 12 O O . LYS A 1 2 ? 9.884 -2.085 4.585 1.00 97.42 2 A 1 ATOM 13 C CB . LYS A 1 2 ? 12.409 -3.315 6.052 1.00 96.98 2 A 1 ATOM 14 C CG . LYS A 1 2 ? 12.958 -4.700 6.436 1.00 88.52 2 A 1 ATOM 15 C CD . LYS A 1 2 ? 13.283 -4.769 7.935 1.00 86.23 2 A 1 ATOM 16 C CE . LYS A 1 2 ? 13.762 -6.167 8.333 1.00 78.56 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? 14.113 -6.254 9.773 1.00 71.47 2 A 1 ATOM 18 N N . MET A 1 3 ? 11.628 -0.870 3.900 1.00 98.49 3 A 1 ATOM 19 C CA . MET A 1 3 ? 10.831 0.343 3.651 1.00 98.54 3 A 1 ATOM 20 C C . MET A 1 3 ? 9.886 0.206 2.448 1.00 98.63 3 A 1 ATOM 21 O O . MET A 1 3 ? 8.747 0.675 2.504 1.00 98.26 3 A 1 ATOM 22 C CB . MET A 1 3 ? 11.767 1.545 3.468 1.00 98.00 3 A 1 ATOM 23 C CG . MET A 1 3 ? 12.457 1.959 4.780 1.00 91.47 3 A 1 ATOM 24 S SD . MET A 1 3 ? 11.313 2.492 6.068 1.00 82.82 3 A 1 ATOM 25 C CE . MET A 1 3 ? 12.457 3.243 7.239 1.00 71.34 3 A 1 ATOM 26 N N . SER A 1 4 ? 10.307 -0.472 1.383 1.00 98.33 4 A 1 ATOM 27 C CA . SER A 1 4 ? 9.485 -0.627 0.178 1.00 98.43 4 A 1 ATOM 28 C C . SER A 1 4 ? 8.229 -1.461 0.434 1.00 98.59 4 A 1 ATOM 29 O O . SER A 1 4 ? 7.169 -1.121 -0.081 1.00 98.38 4 A 1 ATOM 30 C CB . SER A 1 4 ? 10.298 -1.263 -0.949 1.00 97.88 4 A 1 ATOM 31 O OG . SER A 1 4 ? 11.470 -0.511 -1.197 1.00 87.31 4 A 1 ATOM 32 N N . ILE A 1 5 ? 8.320 -2.502 1.262 1.00 98.65 5 A 1 ATOM 33 C CA . ILE A 1 5 ? 7.159 -3.348 1.577 1.00 98.67 5 A 1 ATOM 34 C C . ILE A 1 5 ? 6.102 -2.579 2.376 1.00 98.74 5 A 1 ATOM 35 O O . ILE A 1 5 ? 4.911 -2.757 2.136 1.00 98.69 5 A 1 ATOM 36 C CB . ILE A 1 5 ? 7.602 -4.651 2.278 1.00 98.60 5 A 1 ATOM 37 C CG1 . ILE A 1 5 ? 6.479 -5.703 2.338 1.00 96.77 5 A 1 ATOM 38 C CG2 . ILE A 1 5 ? 8.143 -4.422 3.700 1.00 95.90 5 A 1 ATOM 39 C CD1 . ILE A 1 5 ? 6.034 -6.204 0.965 1.00 89.91 5 A 1 ATOM 40 N N . VAL A 1 6 ? 6.515 -1.681 3.272 1.00 98.83 6 A 1 ATOM 41 C CA . VAL A 1 6 ? 5.600 -0.838 4.059 1.00 98.84 6 A 1 ATOM 42 C C . VAL A 1 6 ? 4.839 0.127 3.148 1.00 98.86 6 A 1 ATOM 43 O O . VAL A 1 6 ? 3.624 0.265 3.279 1.00 98.79 6 A 1 ATOM 44 C CB . VAL A 1 6 ? 6.360 -0.074 5.157 1.00 98.73 6 A 1 ATOM 45 C CG1 . VAL A 1 6 ? 5.449 0.885 5.933 1.00 97.49 6 A 1 ATOM 46 C CG2 . VAL A 1 6 ? 6.976 -1.046 6.166 1.00 97.30 6 A 1 ATOM 47 N N . ILE A 1 7 ? 5.523 0.740 2.189 1.00 98.75 7 A 1 ATOM 48 C CA . ILE A 1 7 ? 4.902 1.651 1.218 1.00 98.72 7 A 1 ATOM 49 C C . ILE A 1 7 ? 3.898 0.897 0.343 1.00 98.77 7 A 1 ATOM 50 O O . ILE A 1 7 ? 2.772 1.366 0.160 1.00 98.74 7 A 1 ATOM 51 C CB . ILE A 1 7 ? 5.984 2.360 0.378 1.00 98.63 7 A 1 ATOM 52 C CG1 . ILE A 1 7 ? 6.841 3.282 1.275 1.00 97.15 7 A 1 ATOM 53 C CG2 . ILE A 1 7 ? 5.350 3.172 -0.766 1.00 96.71 7 A 1 ATOM 54 C CD1 . ILE A 1 7 ? 8.116 3.789 0.601 1.00 91.85 7 A 1 ATOM 55 N N . ILE A 1 8 ? 4.266 -0.281 -0.163 1.00 98.73 8 A 1 ATOM 56 C CA . ILE A 1 8 ? 3.371 -1.113 -0.977 1.00 98.66 8 A 1 ATOM 57 C C . ILE A 1 8 ? 2.126 -1.505 -0.174 1.00 98.71 8 A 1 ATOM 58 O O . ILE A 1 8 ? 1.008 -1.378 -0.675 1.00 98.66 8 A 1 ATOM 59 C CB . ILE A 1 8 ? 4.123 -2.347 -1.510 1.00 98.54 8 A 1 ATOM 60 C CG1 . ILE A 1 8 ? 5.188 -1.921 -2.544 1.00 97.31 8 A 1 ATOM 61 C CG2 . ILE A 1 8 ? 3.157 -3.364 -2.148 1.00 96.96 8 A 1 ATOM 62 C CD1 . ILE A 1 8 ? 6.218 -3.008 -2.850 1.00 92.35 8 A 1 ATOM 63 N N . LEU A 1 9 ? 2.300 -1.928 1.076 1.00 98.70 9 A 1 ATOM 64 C CA . LEU A 1 9 ? 1.190 -2.297 1.951 1.00 98.65 9 A 1 ATOM 65 C C . LEU A 1 9 ? 0.261 -1.107 2.222 1.00 98.74 9 A 1 ATOM 66 O O . LEU A 1 9 ? -0.961 -1.256 2.167 1.00 98.71 9 A 1 ATOM 67 C CB . LEU A 1 9 ? 1.771 -2.870 3.253 1.00 98.47 9 A 1 ATOM 68 C CG . LEU A 1 9 ? 0.700 -3.373 4.233 1.00 89.19 9 A 1 ATOM 69 C CD1 . LEU A 1 9 ? -0.081 -4.559 3.665 1.00 89.36 9 A 1 ATOM 70 C CD2 . LEU A 1 9 ? 1.372 -3.811 5.532 1.00 91.91 9 A 1 ATOM 71 N N . LEU A 1 10 ? 0.824 0.072 2.469 1.00 98.75 10 A 1 ATOM 72 C CA . LEU A 1 10 ? 0.061 1.299 2.678 1.00 98.71 10 A 1 ATOM 73 C C . LEU A 1 10 ? -0.759 1.664 1.438 1.00 98.77 10 A 1 ATOM 74 O O . LEU A 1 10 ? -1.966 1.885 1.546 1.00 98.72 10 A 1 ATOM 75 C CB . LEU A 1 10 ? 1.030 2.426 3.071 1.00 98.59 10 A 1 ATOM 76 C CG . LEU A 1 10 ? 0.334 3.773 3.344 1.00 92.33 10 A 1 ATOM 77 C CD1 . LEU A 1 10 ? -0.597 3.699 4.556 1.00 91.52 10 A 1 ATOM 78 C CD2 . LEU A 1 10 ? 1.391 4.845 3.606 1.00 93.42 10 A 1 ATOM 79 N N . LEU A 1 11 ? -0.142 1.665 0.258 1.00 98.71 11 A 1 ATOM 80 C CA . LEU A 1 11 ? -0.822 1.961 -1.004 1.00 98.66 11 A 1 ATOM 81 C C . LEU A 1 11 ? -1.942 0.960 -1.293 1.00 98.71 11 A 1 ATOM 82 O O . LEU A 1 11 ? -3.034 1.358 -1.698 1.00 98.58 11 A 1 ATOM 83 C CB . LEU A 1 11 ? 0.199 1.954 -2.152 1.00 98.47 11 A 1 ATOM 84 C CG . LEU A 1 11 ? 1.170 3.147 -2.154 1.00 92.47 11 A 1 ATOM 85 C CD1 . LEU A 1 11 ? 2.221 2.932 -3.242 1.00 90.52 11 A 1 ATOM 86 C CD2 . LEU A 1 11 ? 0.462 4.473 -2.420 1.00 91.73 11 A 1 ATOM 87 N N . PHE A 1 12 ? -1.703 -0.329 -1.039 1.00 98.71 12 A 1 ATOM 88 C CA . PHE A 1 12 ? -2.707 -1.374 -1.212 1.00 98.65 12 A 1 ATOM 89 C C . PHE A 1 12 ? -3.894 -1.185 -0.263 1.00 98.68 12 A 1 ATOM 90 O O . PHE A 1 12 ? -5.048 -1.270 -0.689 1.00 98.45 12 A 1 ATOM 91 C CB . PHE A 1 12 ? -2.027 -2.726 -1.006 1.00 98.39 12 A 1 ATOM 92 C CG . PHE A 1 12 ? -2.923 -3.899 -1.320 1.00 95.18 12 A 1 ATOM 93 C CD1 . PHE A 1 12 ? -3.398 -4.725 -0.292 1.00 92.12 12 A 1 ATOM 94 C CD2 . PHE A 1 12 ? -3.273 -4.167 -2.651 1.00 92.28 12 A 1 ATOM 95 C CE1 . PHE A 1 12 ? -4.212 -5.825 -0.592 1.00 91.25 12 A 1 ATOM 96 C CE2 . PHE A 1 12 ? -4.095 -5.264 -2.951 1.00 91.05 12 A 1 ATOM 97 C CZ . PHE A 1 12 ? -4.563 -6.093 -1.925 1.00 91.52 12 A 1 ATOM 98 N N . THR A 1 13 ? -3.631 -0.837 0.994 1.00 98.66 13 A 1 ATOM 99 C CA . THR A 1 13 ? -4.679 -0.541 1.977 1.00 98.59 13 A 1 ATOM 100 C C . THR A 1 13 ? -5.494 0.689 1.568 1.00 98.61 13 A 1 ATOM 101 O O . THR A 1 13 ? -6.723 0.651 1.613 1.00 98.23 13 A 1 ATOM 102 C CB . THR A 1 13 ? -4.070 -0.332 3.369 1.00 98.32 13 A 1 ATOM 103 O OG1 . THR A 1 13 ? -3.309 -1.459 3.742 1.00 93.71 13 A 1 ATOM 104 C CG2 . THR A 1 13 ? -5.139 -0.152 4.443 1.00 92.93 13 A 1 ATOM 105 N N . CYS A 1 14 ? -4.846 1.760 1.112 1.00 98.65 14 A 1 ATOM 106 C CA . CYS A 1 14 ? -5.526 2.953 0.614 1.00 98.55 14 A 1 ATOM 107 C C . CYS A 1 14 ? -6.393 2.650 -0.613 1.00 98.54 14 A 1 ATOM 108 O O . CYS A 1 14 ? -7.510 3.147 -0.703 1.00 98.02 14 A 1 ATOM 109 C CB . CYS A 1 14 ? -4.491 4.030 0.276 1.00 98.29 14 A 1 ATOM 110 S SG . CYS A 1 14 ? -3.737 4.695 1.785 1.00 91.44 14 A 1 ATOM 111 N N . LEU A 1 15 ? -5.913 1.809 -1.531 1.00 98.53 15 A 1 ATOM 112 C CA . LEU A 1 15 ? -6.669 1.398 -2.712 1.00 98.37 15 A 1 ATOM 113 C C . LEU A 1 15 ? -7.945 0.643 -2.329 1.00 98.42 15 A 1 ATOM 114 O O . LEU A 1 15 ? -9.022 0.964 -2.829 1.00 98.16 15 A 1 ATOM 115 C CB . LEU A 1 15 ? -5.757 0.556 -3.615 1.00 98.02 15 A 1 ATOM 116 C CG . LEU A 1 15 ? -6.426 0.093 -4.917 1.00 92.49 15 A 1 ATOM 117 C CD1 . LEU A 1 15 ? -6.773 1.271 -5.829 1.00 88.46 15 A 1 ATOM 118 C CD2 . LEU A 1 15 ? -5.486 -0.847 -5.669 1.00 89.26 15 A 1 ATOM 119 N N . ILE A 1 16 ? -7.849 -0.317 -1.410 1.00 98.37 16 A 1 ATOM 120 C CA . ILE A 1 16 ? -9.012 -1.063 -0.912 1.00 98.12 16 A 1 ATOM 121 C C . ILE A 1 16 ? -9.984 -0.126 -0.200 1.00 98.15 16 A 1 ATOM 122 O O . ILE A 1 16 ? -11.186 -0.190 -0.456 1.00 97.94 16 A 1 ATOM 123 C CB . ILE A 1 16 ? -8.569 -2.214 0.009 1.00 97.67 16 A 1 ATOM 124 C CG1 . ILE A 1 16 ? -7.797 -3.276 -0.801 1.00 96.13 16 A 1 ATOM 125 C CG2 . ILE A 1 16 ? -9.783 -2.869 0.694 1.00 94.89 16 A 1 ATOM 126 C CD1 . ILE A 1 16 ? -7.057 -4.275 0.082 1.00 90.32 16 A 1 ATOM 127 N N . ALA A 1 17 ? -9.486 0.762 0.663 1.00 98.51 17 A 1 ATOM 128 C CA . ALA A 1 17 ? -10.322 1.716 1.382 1.00 98.40 17 A 1 ATOM 129 C C . ALA A 1 17 ? -11.058 2.663 0.424 1.00 98.35 17 A 1 ATOM 130 O O . ALA A 1 17 ? -12.250 2.901 0.598 1.00 97.67 17 A 1 ATOM 131 C CB . ALA A 1 17 ? -9.448 2.489 2.375 1.00 98.02 17 A 1 ATOM 132 N N . THR A 1 18 ? -10.391 3.151 -0.619 1.00 98.54 18 A 1 ATOM 133 C CA . THR A 1 18 ? -11.001 4.027 -1.627 1.00 98.31 18 A 1 ATOM 134 C C . THR A 1 18 ? -12.072 3.292 -2.430 1.00 98.21 18 A 1 ATOM 135 O O . THR A 1 18 ? -13.165 3.821 -2.616 1.00 97.08 18 A 1 ATOM 136 C CB . THR A 1 18 ? -9.936 4.601 -2.570 1.00 97.60 18 A 1 ATOM 137 O OG1 . THR A 1 18 ? -8.940 5.267 -1.824 1.00 90.03 18 A 1 ATOM 138 C CG2 . THR A 1 18 ? -10.515 5.622 -3.542 1.00 86.21 18 A 1 ATOM 139 N N . ASN A 1 19 ? -11.802 2.060 -2.845 1.00 97.64 19 A 1 ATOM 140 C CA . ASN A 1 19 ? -12.784 1.255 -3.573 1.00 97.47 19 A 1 ATOM 141 C C . ASN A 1 19 ? -13.962 0.825 -2.688 1.00 97.19 19 A 1 ATOM 142 O O . ASN A 1 19 ? -15.089 0.748 -3.165 1.00 95.15 19 A 1 ATOM 143 C CB . ASN A 1 19 ? -12.071 0.033 -4.169 1.00 96.21 19 A 1 ATOM 144 C CG . ASN A 1 19 ? -11.160 0.385 -5.333 1.00 88.85 19 A 1 ATOM 145 O OD1 . ASN A 1 19 ? -11.319 1.364 -6.032 1.00 79.21 19 A 1 ATOM 146 N ND2 . ASN A 1 19 ? -10.181 -0.448 -5.603 1.00 78.79 19 A 1 ATOM 147 N N . GLY A 1 20 ? -13.714 0.566 -1.401 1.00 95.43 20 A 1 ATOM 148 C CA . GLY A 1 20 ? -14.754 0.205 -0.433 1.00 94.15 20 A 1 ATOM 149 C C . GLY A 1 20 ? -15.586 1.392 0.064 1.00 92.94 20 A 1 ATOM 150 O O . GLY A 1 20 ? -16.738 1.204 0.446 1.00 89.76 20 A 1 ATOM 151 N N . ALA A 1 21 ? -15.037 2.607 0.043 1.00 94.94 21 A 1 ATOM 152 C CA . ALA A 1 21 ? -15.750 3.831 0.435 1.00 94.06 21 A 1 ATOM 153 C C . ALA A 1 21 ? -16.624 4.416 -0.689 1.00 92.89 21 A 1 ATOM 154 O O . ALA A 1 21 ? -17.383 5.351 -0.446 1.00 88.99 21 A 1 ATOM 155 C CB . ALA A 1 21 ? -14.732 4.857 0.942 1.00 92.06 21 A 1 ATOM 156 N N . SER A 1 22 ? -16.525 3.880 -1.905 1.00 92.10 22 A 1 ATOM 157 C CA . SER A 1 22 ? -17.352 4.264 -3.060 1.00 90.84 22 A 1 ATOM 158 C C . SER A 1 22 ? -18.717 3.557 -3.089 1.00 89.11 22 A 1 ATOM 159 O O . SER A 1 22 ? -19.369 3.541 -4.129 1.00 82.92 22 A 1 ATOM 160 C CB . SER A 1 22 ? -16.563 4.032 -4.352 1.00 87.72 22 A 1 ATOM 161 O OG . SER A 1 22 ? -17.269 4.503 -5.483 1.00 73.95 22 A 1 ATOM 162 N N . GLY A 1 23 ? -19.129 2.931 -1.985 1.00 89.22 23 A 1 ATOM 163 C CA . GLY A 1 23 ? -20.441 2.310 -1.826 1.00 83.09 23 A 1 ATOM 164 C C . GLY A 1 23 ? -21.448 3.277 -1.208 1.00 75.91 23 A 1 ATOM 165 O O . GLY A 1 23 ? -21.046 4.083 -0.348 1.00 67.26 23 A 1 ATOM 166 O OXT . GLY A 1 23 ? -22.654 3.190 -1.596 1.00 76.06 23 A 1 #