# 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_spkb24562 # _entry.id spkb24562 # 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" "C4 H7 N O4" 133.103 ASP y "ASPARTIC ACID" C([C@@H](C(=O)O)N)C(=O)O ? "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" "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 GLY 2 1 n GLY 3 1 n ILE 4 1 n TYR 5 1 n THR 6 1 n ALA 7 1 n LEU 8 1 n LEU 9 1 n VAL 10 1 n VAL 11 1 n ILE 12 1 n THR 13 1 n LEU 14 1 n PHE 15 1 n ILE 16 1 n GLY 17 1 n ASN 18 1 n ASP 19 1 n ASN 20 1 n ILE 21 1 n LEU 22 1 n ALA 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 @ 2025-07-05 23:38:10)" _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 89.74 _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 75.12 1 1 A GLY 2 2 89.42 1 2 A GLY 3 2 93.94 1 3 A ILE 4 2 90.46 1 4 A TYR 5 2 90.72 1 5 A THR 6 2 95.04 1 6 A ALA 7 2 96.76 1 7 A LEU 8 2 92.79 1 8 A LEU 9 2 92.82 1 9 A VAL 10 2 95.49 1 10 A VAL 11 2 94.80 1 11 A ILE 12 2 94.04 1 12 A THR 13 2 93.31 1 13 A LEU 14 2 92.89 1 14 A PHE 15 2 89.10 1 15 A ILE 16 2 91.76 1 16 A GLY 17 2 93.31 1 17 A ASN 18 2 88.17 1 18 A ASP 19 2 87.77 1 19 A ASN 20 2 84.88 1 20 A ILE 21 2 85.44 1 21 A LEU 22 2 85.24 1 22 A ALA 23 2 75.94 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 GLY . 2 A 2 A 3 1 n GLY . 3 A 3 A 4 1 n ILE . 4 A 4 A 5 1 n TYR . 5 A 5 A 6 1 n THR . 6 A 6 A 7 1 n ALA . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n VAL . 10 A 10 A 11 1 n VAL . 11 A 11 A 12 1 n ILE . 12 A 12 A 13 1 n THR . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n PHE . 15 A 15 A 16 1 n ILE . 16 A 16 A 17 1 n GLY . 17 A 17 A 18 1 n ASN . 18 A 18 A 19 1 n ASP . 19 A 19 A 20 1 n ASN . 20 A 20 A 21 1 n ILE . 21 A 21 A 22 1 n LEU . 22 A 22 A 23 1 n ALA . 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 ? -14.195 10.137 9.434 1.00 80.65 1 A 1 ATOM 2 C CA . MET A 1 1 ? -12.740 9.906 9.589 1.00 84.31 1 A 1 ATOM 3 C C . MET A 1 1 ? -12.266 8.593 8.953 1.00 85.46 1 A 1 ATOM 4 O O . MET A 1 1 ? -11.069 8.422 8.754 1.00 78.69 1 A 1 ATOM 5 C CB . MET A 1 1 ? -12.364 9.932 11.078 1.00 75.34 1 A 1 ATOM 6 C CG . MET A 1 1 ? -11.809 11.289 11.488 1.00 70.93 1 A 1 ATOM 7 S SD . MET A 1 1 ? -11.482 11.389 13.249 1.00 66.62 1 A 1 ATOM 8 C CE . MET A 1 1 ? -10.505 12.891 13.297 1.00 58.96 1 A 1 ATOM 9 N N . GLY A 1 2 ? -13.185 7.699 8.633 1.00 85.91 2 A 1 ATOM 10 C CA . GLY A 1 2 ? -12.809 6.393 8.072 1.00 90.02 2 A 1 ATOM 11 C C . GLY A 1 2 ? -12.126 6.468 6.711 1.00 92.62 2 A 1 ATOM 12 O O . GLY A 1 2 ? -11.201 5.705 6.442 1.00 89.13 2 A 1 ATOM 13 N N . GLY A 1 3 ? -12.554 7.394 5.848 1.00 91.13 3 A 1 ATOM 14 C CA . GLY A 1 3 ? -11.977 7.523 4.503 1.00 94.34 3 A 1 ATOM 15 C C . GLY A 1 3 ? -10.499 7.908 4.513 1.00 95.99 3 A 1 ATOM 16 O O . GLY A 1 3 ? -9.714 7.392 3.717 1.00 94.28 3 A 1 ATOM 17 N N . ILE A 1 4 ? -10.107 8.793 5.435 1.00 94.98 4 A 1 ATOM 18 C CA . ILE A 1 4 ? -8.709 9.231 5.553 1.00 95.83 4 A 1 ATOM 19 C C . ILE A 1 4 ? -7.820 8.075 6.021 1.00 96.73 4 A 1 ATOM 20 O O . ILE A 1 4 ? -6.717 7.884 5.508 1.00 96.19 4 A 1 ATOM 21 C CB . ILE A 1 4 ? -8.593 10.439 6.502 1.00 93.97 4 A 1 ATOM 22 C CG1 . ILE A 1 4 ? -9.412 11.623 5.954 1.00 86.52 4 A 1 ATOM 23 C CG2 . ILE A 1 4 ? -7.121 10.842 6.676 1.00 82.91 4 A 1 ATOM 24 C CD1 . ILE A 1 4 ? -9.528 12.782 6.932 1.00 76.56 4 A 1 ATOM 25 N N . TYR A 1 5 ? -8.318 7.273 6.967 1.00 96.34 5 A 1 ATOM 26 C CA . TYR A 1 5 ? -7.585 6.107 7.473 1.00 96.19 5 A 1 ATOM 27 C C . TYR A 1 5 ? -7.347 5.082 6.364 1.00 96.80 5 A 1 ATOM 28 O O . TYR A 1 5 ? -6.245 4.546 6.229 1.00 96.69 5 A 1 ATOM 29 C CB . TYR A 1 5 ? -8.365 5.465 8.627 1.00 95.06 5 A 1 ATOM 30 C CG . TYR A 1 5 ? -7.881 5.894 9.992 1.00 91.48 5 A 1 ATOM 31 C CD1 . TYR A 1 5 ? -7.871 7.241 10.361 1.00 87.37 5 A 1 ATOM 32 C CD2 . TYR A 1 5 ? -7.431 4.935 10.901 1.00 86.72 5 A 1 ATOM 33 C CE1 . TYR A 1 5 ? -7.415 7.630 11.620 1.00 85.84 5 A 1 ATOM 34 C CE2 . TYR A 1 5 ? -6.980 5.316 12.162 1.00 85.98 5 A 1 ATOM 35 C CZ . TYR A 1 5 ? -6.972 6.663 12.518 1.00 86.02 5 A 1 ATOM 36 O OH . TYR A 1 5 ? -6.523 7.037 13.760 1.00 84.13 5 A 1 ATOM 37 N N . THR A 1 6 ? -8.359 4.828 5.547 1.00 96.68 6 A 1 ATOM 38 C CA . THR A 1 6 ? -8.251 3.888 4.428 1.00 96.99 6 A 1 ATOM 39 C C . THR A 1 6 ? -7.250 4.394 3.387 1.00 97.59 6 A 1 ATOM 40 O O . THR A 1 6 ? -6.405 3.629 2.919 1.00 97.17 6 A 1 ATOM 41 C CB . THR A 1 6 ? -9.621 3.667 3.774 1.00 95.84 6 A 1 ATOM 42 O OG1 . THR A 1 6 ? -10.562 3.276 4.763 1.00 91.20 6 A 1 ATOM 43 C CG2 . THR A 1 6 ? -9.566 2.572 2.717 1.00 89.80 6 A 1 ATOM 44 N N . ALA A 1 7 ? -7.313 5.674 3.039 1.00 96.42 7 A 1 ATOM 45 C CA . ALA A 1 7 ? -6.389 6.273 2.073 1.00 97.01 7 A 1 ATOM 46 C C . ALA A 1 7 ? -4.937 6.193 2.563 1.00 97.50 7 A 1 ATOM 47 O O . ALA A 1 7 ? -4.040 5.839 1.795 1.00 96.70 7 A 1 ATOM 48 C CB . ALA A 1 7 ? -6.796 7.722 1.809 1.00 96.19 7 A 1 ATOM 49 N N . LEU A 1 8 ? -4.718 6.482 3.838 1.00 95.50 8 A 1 ATOM 50 C CA . LEU A 1 8 ? -3.384 6.412 4.441 1.00 95.45 8 A 1 ATOM 51 C C . LEU A 1 8 ? -2.835 4.984 4.394 1.00 95.90 8 A 1 ATOM 52 O O . LEU A 1 8 ? -1.680 4.764 4.032 1.00 95.42 8 A 1 ATOM 53 C CB . LEU A 1 8 ? -3.459 6.908 5.892 1.00 94.50 8 A 1 ATOM 54 C CG . LEU A 1 8 ? -2.091 7.128 6.537 1.00 89.95 8 A 1 ATOM 55 C CD1 . LEU A 1 8 ? -1.504 8.472 6.107 1.00 87.88 8 A 1 ATOM 56 C CD2 . LEU A 1 8 ? -2.203 7.081 8.056 1.00 87.73 8 A 1 ATOM 57 N N . LEU A 1 9 ? -3.670 4.007 4.728 1.00 95.57 9 A 1 ATOM 58 C CA . LEU A 1 9 ? -3.279 2.595 4.734 1.00 95.55 9 A 1 ATOM 59 C C . LEU A 1 9 ? -2.918 2.114 3.329 1.00 96.06 9 A 1 ATOM 60 O O . LEU A 1 9 ? -1.940 1.391 3.148 1.00 95.73 9 A 1 ATOM 61 C CB . LEU A 1 9 ? -4.423 1.760 5.328 1.00 94.49 9 A 1 ATOM 62 C CG . LEU A 1 9 ? -3.995 0.352 5.748 1.00 90.21 9 A 1 ATOM 63 C CD1 . LEU A 1 9 ? -4.338 0.104 7.216 1.00 87.92 9 A 1 ATOM 64 C CD2 . LEU A 1 9 ? -4.681 -0.702 4.889 1.00 87.03 9 A 1 ATOM 65 N N . VAL A 1 10 ? -3.691 2.528 2.322 1.00 96.38 10 A 1 ATOM 66 C CA . VAL A 1 10 ? -3.434 2.162 0.922 1.00 96.38 10 A 1 ATOM 67 C C . VAL A 1 10 ? -2.098 2.739 0.448 1.00 96.73 10 A 1 ATOM 68 O O . VAL A 1 10 ? -1.298 2.026 -0.164 1.00 96.21 10 A 1 ATOM 69 C CB . VAL A 1 10 ? -4.595 2.630 0.019 1.00 95.62 10 A 1 ATOM 70 C CG1 . VAL A 1 10 ? -4.261 2.478 -1.465 1.00 93.68 10 A 1 ATOM 71 C CG2 . VAL A 1 10 ? -5.859 1.823 0.316 1.00 93.43 10 A 1 ATOM 72 N N . VAL A 1 11 ? -1.841 4.000 0.737 1.00 95.81 11 A 1 ATOM 73 C CA . VAL A 1 11 ? -0.590 4.662 0.333 1.00 95.71 11 A 1 ATOM 74 C C . VAL A 1 11 ? 0.620 3.986 0.978 1.00 95.61 11 A 1 ATOM 75 O O . VAL A 1 11 ? 1.606 3.698 0.296 1.00 94.85 11 A 1 ATOM 76 C CB . VAL A 1 11 ? -0.633 6.163 0.680 1.00 95.09 11 A 1 ATOM 77 C CG1 . VAL A 1 11 ? 0.721 6.837 0.449 1.00 93.42 11 A 1 ATOM 78 C CG2 . VAL A 1 11 ? -1.680 6.873 -0.184 1.00 93.14 11 A 1 ATOM 79 N N . ILE A 1 12 ? 0.543 3.702 2.265 1.00 95.95 12 A 1 ATOM 80 C CA . ILE A 1 12 ? 1.638 3.048 2.991 1.00 95.31 12 A 1 ATOM 81 C C . ILE A 1 12 ? 1.887 1.644 2.435 1.00 95.36 12 A 1 ATOM 82 O O . ILE A 1 12 ? 3.032 1.258 2.196 1.00 94.62 12 A 1 ATOM 83 C CB . ILE A 1 12 ? 1.330 3.002 4.500 1.00 94.97 12 A 1 ATOM 84 C CG1 . ILE A 1 12 ? 1.344 4.429 5.086 1.00 93.75 12 A 1 ATOM 85 C CG2 . ILE A 1 12 ? 2.354 2.132 5.244 1.00 92.94 12 A 1 ATOM 86 C CD1 . ILE A 1 12 ? 0.734 4.508 6.480 1.00 89.44 12 A 1 ATOM 87 N N . THR A 1 13 ? 0.827 0.887 2.194 1.00 95.77 13 A 1 ATOM 88 C CA . THR A 1 13 ? 0.939 -0.479 1.666 1.00 95.39 13 A 1 ATOM 89 C C . THR A 1 13 ? 1.574 -0.481 0.274 1.00 95.57 13 A 1 ATOM 90 O O . THR A 1 13 ? 2.459 -1.294 -0.003 1.00 94.10 13 A 1 ATOM 91 C CB . THR A 1 13 ? -0.441 -1.150 1.608 1.00 94.43 13 A 1 ATOM 92 O OG1 . THR A 1 13 ? -1.034 -1.133 2.898 1.00 90.24 13 A 1 ATOM 93 C CG2 . THR A 1 13 ? -0.344 -2.605 1.166 1.00 87.69 13 A 1 ATOM 94 N N . LEU A 1 14 ? 1.157 0.431 -0.602 1.00 95.74 14 A 1 ATOM 95 C CA . LEU A 1 14 ? 1.713 0.533 -1.954 1.00 95.19 14 A 1 ATOM 96 C C . LEU A 1 14 ? 3.181 0.963 -1.920 1.00 95.00 14 A 1 ATOM 97 O O . LEU A 1 14 ? 3.995 0.438 -2.678 1.00 93.79 14 A 1 ATOM 98 C CB . LEU A 1 14 ? 0.888 1.525 -2.780 1.00 94.85 14 A 1 ATOM 99 C CG . LEU A 1 14 ? -0.503 1.011 -3.175 1.00 91.87 14 A 1 ATOM 100 C CD1 . LEU A 1 14 ? -1.323 2.140 -3.786 1.00 88.21 14 A 1 ATOM 101 C CD2 . LEU A 1 14 ? -0.402 -0.136 -4.182 1.00 88.49 14 A 1 ATOM 102 N N . PHE A 1 15 ? 3.521 1.892 -1.042 1.00 94.91 15 A 1 ATOM 103 C CA . PHE A 1 15 ? 4.894 2.378 -0.907 1.00 93.69 15 A 1 ATOM 104 C C . PHE A 1 15 ? 5.828 1.266 -0.427 1.00 93.68 15 A 1 ATOM 105 O O . PHE A 1 15 ? 6.884 1.043 -1.022 1.00 92.90 15 A 1 ATOM 106 C CB . PHE A 1 15 ? 4.918 3.567 0.054 1.00 92.93 15 A 1 ATOM 107 C CG . PHE A 1 15 ? 6.164 4.404 -0.084 1.00 89.85 15 A 1 ATOM 108 C CD1 . PHE A 1 15 ? 6.257 5.367 -1.088 1.00 84.73 15 A 1 ATOM 109 C CD2 . PHE A 1 15 ? 7.235 4.225 0.789 1.00 85.20 15 A 1 ATOM 110 C CE1 . PHE A 1 15 ? 7.409 6.142 -1.221 1.00 83.80 15 A 1 ATOM 111 C CE2 . PHE A 1 15 ? 8.393 4.995 0.654 1.00 84.09 15 A 1 ATOM 112 C CZ . PHE A 1 15 ? 8.479 5.955 -0.350 1.00 84.34 15 A 1 ATOM 113 N N . ILE A 1 16 ? 5.422 0.541 0.604 1.00 95.76 16 A 1 ATOM 114 C CA . ILE A 1 16 ? 6.209 -0.576 1.144 1.00 94.79 16 A 1 ATOM 115 C C . ILE A 1 16 ? 6.304 -1.709 0.122 1.00 94.43 16 A 1 ATOM 116 O O . ILE A 1 16 ? 7.358 -2.323 -0.037 1.00 93.00 16 A 1 ATOM 117 C CB . ILE A 1 16 ? 5.602 -1.081 2.471 1.00 93.61 16 A 1 ATOM 118 C CG1 . ILE A 1 16 ? 5.718 0.003 3.559 1.00 90.20 16 A 1 ATOM 119 C CG2 . ILE A 1 16 ? 6.301 -2.366 2.941 1.00 88.29 16 A 1 ATOM 120 C CD1 . ILE A 1 16 ? 4.910 -0.312 4.811 1.00 84.02 16 A 1 ATOM 121 N N . GLY A 1 17 ? 5.220 -1.987 -0.592 1.00 93.93 17 A 1 ATOM 122 C CA . GLY A 1 17 ? 5.226 -3.023 -1.626 1.00 92.95 17 A 1 ATOM 123 C C . GLY A 1 17 ? 6.163 -2.689 -2.779 1.00 93.67 17 A 1 ATOM 124 O O . GLY A 1 17 ? 6.864 -3.567 -3.286 1.00 92.67 17 A 1 ATOM 125 N N . ASN A 1 18 ? 6.203 -1.428 -3.189 1.00 93.78 18 A 1 ATOM 126 C CA . ASN A 1 18 ? 7.053 -0.996 -4.298 1.00 93.69 18 A 1 ATOM 127 C C . ASN A 1 18 ? 8.536 -1.031 -3.934 1.00 93.78 18 A 1 ATOM 128 O O . ASN A 1 18 ? 9.342 -1.534 -4.715 1.00 92.50 18 A 1 ATOM 129 C CB . ASN A 1 18 ? 6.647 0.412 -4.756 1.00 91.64 18 A 1 ATOM 130 C CG . ASN A 1 18 ? 5.487 0.381 -5.733 1.00 85.08 18 A 1 ATOM 131 O OD1 . ASN A 1 18 ? 5.232 -0.607 -6.404 1.00 77.91 18 A 1 ATOM 132 N ND2 . ASN A 1 18 ? 4.773 1.484 -5.846 1.00 76.96 18 A 1 ATOM 133 N N . ASP A 1 19 ? 8.900 -0.507 -2.768 1.00 93.04 19 A 1 ATOM 134 C CA . ASP A 1 19 ? 10.314 -0.478 -2.375 1.00 93.60 19 A 1 ATOM 135 C C . ASP A 1 19 ? 10.823 -1.861 -1.969 1.00 93.91 19 A 1 ATOM 136 O O . ASP A 1 19 ? 11.993 -2.178 -2.200 1.00 91.39 19 A 1 ATOM 137 C CB . ASP A 1 19 ? 10.552 0.561 -1.268 1.00 90.99 19 A 1 ATOM 138 C CG . ASP A 1 19 ? 10.067 0.115 0.102 1.00 84.57 19 A 1 ATOM 139 O OD1 . ASP A 1 19 ? 8.995 -0.490 0.190 1.00 77.27 19 A 1 ATOM 140 O OD2 . ASP A 1 19 ? 10.781 0.386 1.082 1.00 77.37 19 A 1 ATOM 141 N N . ASN A 1 20 ? 9.973 -2.712 -1.416 1.00 92.03 20 A 1 ATOM 142 C CA . ASN A 1 20 ? 10.355 -4.066 -1.001 1.00 91.56 20 A 1 ATOM 143 C C . ASN A 1 20 ? 10.532 -5.000 -2.199 1.00 91.42 20 A 1 ATOM 144 O O . ASN A 1 20 ? 11.390 -5.881 -2.180 1.00 88.24 20 A 1 ATOM 145 C CB . ASN A 1 20 ? 9.303 -4.621 -0.032 1.00 88.77 20 A 1 ATOM 146 C CG . ASN A 1 20 ? 9.757 -5.880 0.672 1.00 80.30 20 A 1 ATOM 147 O OD1 . ASN A 1 20 ? 10.911 -6.266 0.633 1.00 73.82 20 A 1 ATOM 148 N ND2 . ASN A 1 20 ? 8.843 -6.542 1.361 1.00 72.90 20 A 1 ATOM 149 N N . ILE A 1 21 ? 9.727 -4.823 -3.254 1.00 90.86 21 A 1 ATOM 150 C CA . ILE A 1 21 ? 9.807 -5.677 -4.448 1.00 90.18 21 A 1 ATOM 151 C C . ILE A 1 21 ? 10.892 -5.183 -5.412 1.00 89.94 21 A 1 ATOM 152 O O . ILE A 1 21 ? 11.598 -5.991 -6.017 1.00 87.74 21 A 1 ATOM 153 C CB . ILE A 1 21 ? 8.436 -5.758 -5.154 1.00 87.92 21 A 1 ATOM 154 C CG1 . ILE A 1 21 ? 7.408 -6.455 -4.247 1.00 84.20 21 A 1 ATOM 155 C CG2 . ILE A 1 21 ? 8.542 -6.509 -6.486 1.00 79.51 21 A 1 ATOM 156 C CD1 . ILE A 1 21 ? 5.969 -6.293 -4.718 1.00 73.15 21 A 1 ATOM 157 N N . LEU A 1 22 ? 11.014 -3.868 -5.562 1.00 90.33 22 A 1 ATOM 158 C CA . LEU A 1 22 ? 11.979 -3.278 -6.496 1.00 89.83 22 A 1 ATOM 159 C C . LEU A 1 22 ? 13.405 -3.290 -5.938 1.00 89.54 22 A 1 ATOM 160 O O . LEU A 1 22 ? 14.356 -3.549 -6.679 1.00 86.96 22 A 1 ATOM 161 C CB . LEU A 1 22 ? 11.550 -1.846 -6.840 1.00 87.55 22 A 1 ATOM 162 C CG . LEU A 1 22 ? 12.179 -1.300 -8.120 1.00 83.41 22 A 1 ATOM 163 C CD1 . LEU A 1 22 ? 11.481 -1.862 -9.357 1.00 78.62 22 A 1 ATOM 164 C CD2 . LEU A 1 22 ? 12.094 0.221 -8.141 1.00 75.65 22 A 1 ATOM 165 N N . ALA A 1 23 ? 13.546 -3.014 -4.651 1.00 81.87 23 A 1 ATOM 166 C CA . ALA A 1 23 ? 14.847 -2.946 -3.992 1.00 81.77 23 A 1 ATOM 167 C C . ALA A 1 23 ? 15.187 -4.251 -3.270 1.00 76.69 23 A 1 ATOM 168 O O . ALA A 1 23 ? 14.271 -4.887 -2.713 1.00 72.49 23 A 1 ATOM 169 C CB . ALA A 1 23 ? 14.886 -1.761 -3.030 1.00 74.77 23 A 1 ATOM 170 O OXT . ALA A 1 23 ? 16.377 -4.628 -3.253 1.00 68.06 23 A 1 #