# 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_spkb33474 # _entry.id spkb33474 # 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 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 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" "C5 H9 N O2" 115.130 PRO y PROLINE C1C[C@H](NC1)C(=O)O ? "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 GLU 2 1 n GLY 3 1 n VAL 4 1 n ARG 5 1 n VAL 6 1 n PRO 7 1 n ILE 8 1 n ALA 9 1 n CYS 10 1 n ALA 11 1 n LEU 12 1 n ILE 13 1 n LEU 14 1 n LEU 15 1 n ALA 16 1 n ILE 17 1 n SER 18 1 n SER 19 1 n ILE 20 1 n THR 21 1 n SER 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 @ 2025-07-11 21:28:29)" _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 92.07 _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 79.51 1 1 A GLU 2 2 76.45 1 2 A GLY 3 2 91.89 1 3 A VAL 4 2 91.40 1 4 A ARG 5 2 85.78 1 5 A VAL 6 2 94.45 1 6 A PRO 7 2 96.26 1 7 A ILE 8 2 94.75 1 8 A ALA 9 2 97.46 1 9 A CYS 10 2 96.17 1 10 A ALA 11 2 97.87 1 11 A LEU 12 2 95.45 1 12 A ILE 13 2 96.83 1 13 A LEU 14 2 95.54 1 14 A LEU 15 2 94.57 1 15 A ALA 16 2 97.73 1 16 A ILE 17 2 96.28 1 17 A SER 18 2 95.19 1 18 A SER 19 2 95.42 1 19 A ILE 20 2 94.75 1 20 A THR 21 2 92.80 1 21 A SER 22 2 88.73 1 22 A ALA 23 2 83.38 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 GLU . 2 A 2 A 3 1 n GLY . 3 A 3 A 4 1 n VAL . 4 A 4 A 5 1 n ARG . 5 A 5 A 6 1 n VAL . 6 A 6 A 7 1 n PRO . 7 A 7 A 8 1 n ILE . 8 A 8 A 9 1 n ALA . 9 A 9 A 10 1 n CYS . 10 A 10 A 11 1 n ALA . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n ILE . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n ALA . 16 A 16 A 17 1 n ILE . 17 A 17 A 18 1 n SER . 18 A 18 A 19 1 n SER . 19 A 19 A 20 1 n ILE . 20 A 20 A 21 1 n THR . 21 A 21 A 22 1 n SER . 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 ? -12.364 13.706 10.834 1.00 86.46 1 A 1 ATOM 2 C CA . MET A 1 1 ? -12.778 12.625 9.920 1.00 87.70 1 A 1 ATOM 3 C C . MET A 1 1 ? -11.622 12.234 9.007 1.00 88.36 1 A 1 ATOM 4 O O . MET A 1 1 ? -11.095 13.080 8.293 1.00 84.02 1 A 1 ATOM 5 C CB . MET A 1 1 ? -13.963 13.079 9.062 1.00 82.57 1 A 1 ATOM 6 C CG . MET A 1 1 ? -15.195 13.404 9.892 1.00 77.25 1 A 1 ATOM 7 S SD . MET A 1 1 ? -16.566 13.974 8.870 1.00 68.71 1 A 1 ATOM 8 C CE . MET A 1 1 ? -17.786 14.290 10.128 1.00 61.00 1 A 1 ATOM 9 N N . GLU A 1 2 ? -11.215 10.970 9.019 1.00 83.61 2 A 1 ATOM 10 C CA . GLU A 1 2 ? -10.120 10.485 8.190 1.00 87.11 2 A 1 ATOM 11 C C . GLU A 1 2 ? -10.584 9.338 7.294 1.00 88.64 2 A 1 ATOM 12 O O . GLU A 1 2 ? -10.293 8.170 7.541 1.00 84.08 2 A 1 ATOM 13 C CB . GLU A 1 2 ? -8.956 10.028 9.062 1.00 81.52 2 A 1 ATOM 14 C CG . GLU A 1 2 ? -9.343 9.054 10.174 1.00 71.02 2 A 1 ATOM 15 C CD . GLU A 1 2 ? -9.789 9.773 11.428 1.00 67.93 2 A 1 ATOM 16 O OE1 . GLU A 1 2 ? -9.465 10.957 11.572 1.00 60.75 2 A 1 ATOM 17 O OE2 . GLU A 1 2 ? -10.460 9.138 12.251 1.00 63.38 2 A 1 ATOM 18 N N . GLY A 1 3 ? -11.315 9.678 6.251 1.00 90.20 3 A 1 ATOM 19 C CA . GLY A 1 3 ? -11.825 8.667 5.329 1.00 92.48 3 A 1 ATOM 20 C C . GLY A 1 3 ? -10.823 8.289 4.258 1.00 93.69 3 A 1 ATOM 21 O O . GLY A 1 3 ? -10.961 7.257 3.606 1.00 91.17 3 A 1 ATOM 22 N N . VAL A 1 4 ? -9.790 9.116 4.080 1.00 93.64 4 A 1 ATOM 23 C CA . VAL A 1 4 ? -8.784 8.878 3.046 1.00 95.04 4 A 1 ATOM 24 C C . VAL A 1 4 ? -7.458 8.403 3.640 1.00 95.81 4 A 1 ATOM 25 O O . VAL A 1 4 ? -6.556 7.982 2.920 1.00 94.18 4 A 1 ATOM 26 C CB . VAL A 1 4 ? -8.536 10.140 2.205 1.00 93.21 4 A 1 ATOM 27 C CG1 . VAL A 1 4 ? -7.829 9.797 0.903 1.00 83.61 4 A 1 ATOM 28 C CG2 . VAL A 1 4 ? -9.835 10.866 1.910 1.00 84.33 4 A 1 ATOM 29 N N . ARG A 1 5 ? -7.337 8.457 4.970 1.00 94.50 5 A 1 ATOM 30 C CA . ARG A 1 5 ? -6.098 8.057 5.634 1.00 95.66 5 A 1 ATOM 31 C C . ARG A 1 5 ? -5.823 6.566 5.485 1.00 96.03 5 A 1 ATOM 32 O O . ARG A 1 5 ? -4.681 6.159 5.271 1.00 95.25 5 A 1 ATOM 33 C CB . ARG A 1 5 ? -6.132 8.425 7.115 1.00 94.08 5 A 1 ATOM 34 C CG . ARG A 1 5 ? -6.093 9.922 7.352 1.00 88.99 5 A 1 ATOM 35 C CD . ARG A 1 5 ? -5.899 10.220 8.826 1.00 84.74 5 A 1 ATOM 36 N NE . ARG A 1 5 ? -4.597 9.740 9.295 1.00 78.60 5 A 1 ATOM 37 C CZ . ARG A 1 5 ? -4.234 9.684 10.568 1.00 75.71 5 A 1 ATOM 38 N NH1 . ARG A 1 5 ? -5.064 10.062 11.521 1.00 70.28 5 A 1 ATOM 39 N NH2 . ARG A 1 5 ? -3.037 9.233 10.896 1.00 69.75 5 A 1 ATOM 40 N N . VAL A 1 6 ? -6.864 5.753 5.611 1.00 96.10 6 A 1 ATOM 41 C CA . VAL A 1 6 ? -6.729 4.301 5.478 1.00 96.52 6 A 1 ATOM 42 C C . VAL A 1 6 ? -6.229 3.896 4.087 1.00 97.12 6 A 1 ATOM 43 O O . VAL A 1 6 ? -5.271 3.125 3.984 1.00 96.83 6 A 1 ATOM 44 C CB . VAL A 1 6 ? -8.049 3.580 5.805 1.00 95.30 6 A 1 ATOM 45 C CG1 . VAL A 1 6 ? -7.887 2.074 5.658 1.00 89.50 6 A 1 ATOM 46 C CG2 . VAL A 1 6 ? -8.511 3.925 7.207 1.00 89.80 6 A 1 ATOM 47 N N . PRO A 1 7 ? -6.846 4.403 3.017 1.00 96.65 7 A 1 ATOM 48 C CA . PRO A 1 7 ? -6.382 4.075 1.657 1.00 97.01 7 A 1 ATOM 49 C C . PRO A 1 7 ? -4.945 4.521 1.415 1.00 97.48 7 A 1 ATOM 50 O O . PRO A 1 7 ? -4.170 3.815 0.769 1.00 97.05 7 A 1 ATOM 51 C CB . PRO A 1 7 ? -7.346 4.839 0.739 1.00 95.98 7 A 1 ATOM 52 C CG . PRO A 1 7 ? -8.558 5.073 1.571 1.00 93.79 7 A 1 ATOM 53 C CD . PRO A 1 7 ? -8.059 5.210 2.987 1.00 95.88 7 A 1 ATOM 54 N N . ILE A 1 8 ? -4.567 5.682 1.932 1.00 97.15 8 A 1 ATOM 55 C CA . ILE A 1 8 ? -3.215 6.210 1.771 1.00 97.09 8 A 1 ATOM 56 C C . ILE A 1 8 ? -2.202 5.294 2.449 1.00 97.50 8 A 1 ATOM 57 O O . ILE A 1 8 ? -1.138 5.004 1.897 1.00 97.41 8 A 1 ATOM 58 C CB . ILE A 1 8 ? -3.100 7.630 2.346 1.00 96.71 8 A 1 ATOM 59 C CG1 . ILE A 1 8 ? -3.978 8.598 1.547 1.00 93.21 8 A 1 ATOM 60 C CG2 . ILE A 1 8 ? -1.649 8.101 2.321 1.00 92.52 8 A 1 ATOM 61 C CD1 . ILE A 1 8 ? -4.095 9.970 2.178 1.00 86.45 8 A 1 ATOM 62 N N . ALA A 1 9 ? -2.533 4.827 3.649 1.00 97.31 9 A 1 ATOM 63 C CA . ALA A 1 9 ? -1.660 3.925 4.392 1.00 97.46 9 A 1 ATOM 64 C C . ALA A 1 9 ? -1.447 2.622 3.629 1.00 97.88 9 A 1 ATOM 65 O O . ALA A 1 9 ? -0.327 2.117 3.548 1.00 97.67 9 A 1 ATOM 66 C CB . ALA A 1 9 ? -2.253 3.637 5.765 1.00 96.98 9 A 1 ATOM 67 N N . CYS A 1 10 ? -2.512 2.082 3.060 1.00 97.34 10 A 1 ATOM 68 C CA . CYS A 1 10 ? -2.437 0.849 2.289 1.00 97.56 10 A 1 ATOM 69 C C . CYS A 1 10 ? -1.521 1.007 1.077 1.00 97.87 10 A 1 ATOM 70 O O . CYS A 1 10 ? -0.722 0.127 0.768 1.00 97.66 10 A 1 ATOM 71 C CB . CYS A 1 10 ? -3.833 0.427 1.831 1.00 97.01 10 A 1 ATOM 72 S SG . CYS A 1 10 ? -4.927 -0.003 3.195 1.00 89.56 10 A 1 ATOM 73 N N . ALA A 1 11 ? -1.635 2.134 0.397 1.00 97.78 11 A 1 ATOM 74 C CA . ALA A 1 11 ? -0.814 2.414 -0.775 1.00 97.90 11 A 1 ATOM 75 C C . ALA A 1 11 ? 0.665 2.505 -0.406 1.00 98.23 11 A 1 ATOM 76 O O . ALA A 1 11 ? 1.525 1.978 -1.114 1.00 97.91 11 A 1 ATOM 77 C CB . ALA A 1 11 ? -1.273 3.711 -1.435 1.00 97.54 11 A 1 ATOM 78 N N . LEU A 1 12 ? 0.962 3.158 0.710 1.00 97.77 12 A 1 ATOM 79 C CA . LEU A 1 12 ? 2.336 3.312 1.175 1.00 97.73 12 A 1 ATOM 80 C C . LEU A 1 12 ? 2.947 1.972 1.560 1.00 98.04 12 A 1 ATOM 81 O O . LEU A 1 12 ? 4.116 1.707 1.273 1.00 97.90 12 A 1 ATOM 82 C CB . LEU A 1 12 ? 2.380 4.263 2.372 1.00 97.34 12 A 1 ATOM 83 C CG . LEU A 1 12 ? 2.066 5.719 2.041 1.00 92.31 12 A 1 ATOM 84 C CD1 . LEU A 1 12 ? 1.966 6.543 3.318 1.00 91.38 12 A 1 ATOM 85 C CD2 . LEU A 1 12 ? 3.133 6.296 1.121 1.00 91.15 12 A 1 ATOM 86 N N . ILE A 1 13 ? 2.161 1.118 2.204 1.00 98.00 13 A 1 ATOM 87 C CA . ILE A 1 13 ? 2.619 -0.206 2.614 1.00 98.01 13 A 1 ATOM 88 C C . ILE A 1 13 ? 2.962 -1.056 1.396 1.00 98.23 13 A 1 ATOM 89 O O . ILE A 1 13 ? 4.023 -1.686 1.339 1.00 98.00 13 A 1 ATOM 90 C CB . ILE A 1 13 ? 1.554 -0.919 3.463 1.00 97.79 13 A 1 ATOM 91 C CG1 . ILE A 1 13 ? 1.351 -0.184 4.789 1.00 96.57 13 A 1 ATOM 92 C CG2 . ILE A 1 13 ? 1.964 -2.370 3.726 1.00 96.16 13 A 1 ATOM 93 C CD1 . ILE A 1 13 ? 0.126 -0.643 5.553 1.00 91.89 13 A 1 ATOM 94 N N . LEU A 1 14 ? 2.071 -1.081 0.420 1.00 97.78 14 A 1 ATOM 95 C CA . LEU A 1 14 ? 2.286 -1.854 -0.797 1.00 97.64 14 A 1 ATOM 96 C C . LEU A 1 14 ? 3.516 -1.361 -1.548 1.00 97.92 14 A 1 ATOM 97 O O . LEU A 1 14 ? 4.304 -2.153 -2.068 1.00 97.81 14 A 1 ATOM 98 C CB . LEU A 1 14 ? 1.053 -1.768 -1.703 1.00 97.22 14 A 1 ATOM 99 C CG . LEU A 1 14 ? -0.192 -2.466 -1.160 1.00 92.82 14 A 1 ATOM 100 C CD1 . LEU A 1 14 ? -1.396 -2.176 -2.047 1.00 91.60 14 A 1 ATOM 101 C CD2 . LEU A 1 14 ? 0.043 -3.968 -1.064 1.00 91.54 14 A 1 ATOM 102 N N . LEU A 1 15 ? 3.685 -0.053 -1.600 1.00 97.84 15 A 1 ATOM 103 C CA . LEU A 1 15 ? 4.826 0.552 -2.272 1.00 97.63 15 A 1 ATOM 104 C C . LEU A 1 15 ? 6.130 0.190 -1.569 1.00 97.91 15 A 1 ATOM 105 O O . LEU A 1 15 ? 7.135 -0.103 -2.220 1.00 97.62 15 A 1 ATOM 106 C CB . LEU A 1 15 ? 4.663 2.075 -2.313 1.00 97.21 15 A 1 ATOM 107 C CG . LEU A 1 15 ? 5.770 2.817 -3.065 1.00 90.56 15 A 1 ATOM 108 C CD1 . LEU A 1 15 ? 5.778 2.421 -4.537 1.00 88.64 15 A 1 ATOM 109 C CD2 . LEU A 1 15 ? 5.589 4.319 -2.920 1.00 89.16 15 A 1 ATOM 110 N N . ALA A 1 16 ? 6.119 0.196 -0.242 1.00 97.95 16 A 1 ATOM 111 C CA . ALA A 1 16 ? 7.298 -0.141 0.550 1.00 97.86 16 A 1 ATOM 112 C C . ALA A 1 16 ? 7.714 -1.590 0.327 1.00 97.90 16 A 1 ATOM 113 O O . ALA A 1 16 ? 8.895 -1.884 0.137 1.00 97.35 16 A 1 ATOM 114 C CB . ALA A 1 16 ? 7.021 0.102 2.030 1.00 97.57 16 A 1 ATOM 115 N N . ILE A 1 17 ? 6.747 -2.504 0.337 1.00 97.96 17 A 1 ATOM 116 C CA . ILE A 1 17 ? 7.011 -3.922 0.119 1.00 97.57 17 A 1 ATOM 117 C C . ILE A 1 17 ? 7.579 -4.150 -1.275 1.00 97.65 17 A 1 ATOM 118 O O . ILE A 1 17 ? 8.532 -4.912 -1.460 1.00 97.25 17 A 1 ATOM 119 C CB . ILE A 1 17 ? 5.732 -4.757 0.302 1.00 97.10 17 A 1 ATOM 120 C CG1 . ILE A 1 17 ? 5.212 -4.636 1.738 1.00 95.51 17 A 1 ATOM 121 C CG2 . ILE A 1 17 ? 5.999 -6.224 -0.040 1.00 95.14 17 A 1 ATOM 122 C CD1 . ILE A 1 17 ? 3.831 -5.234 1.934 1.00 92.09 17 A 1 ATOM 123 N N . SER A 1 18 ? 6.999 -3.484 -2.260 1.00 97.81 18 A 1 ATOM 124 C CA . SER A 1 18 ? 7.454 -3.607 -3.641 1.00 97.44 18 A 1 ATOM 125 C C . SER A 1 18 ? 8.886 -3.099 -3.793 1.00 97.41 18 A 1 ATOM 126 O O . SER A 1 18 ? 9.682 -3.667 -4.540 1.00 96.33 18 A 1 ATOM 127 C CB . SER A 1 18 ? 6.527 -2.833 -4.575 1.00 96.57 18 A 1 ATOM 128 O OG . SER A 1 18 ? 6.919 -3.004 -5.920 1.00 85.59 18 A 1 ATOM 129 N N . SER A 1 19 ? 9.226 -2.042 -3.071 1.00 97.78 19 A 1 ATOM 130 C CA . SER A 1 19 ? 10.557 -1.447 -3.143 1.00 97.59 19 A 1 ATOM 131 C C . SER A 1 19 ? 11.624 -2.376 -2.563 1.00 97.55 19 A 1 ATOM 132 O O . SER A 1 19 ? 12.684 -2.561 -3.155 1.00 96.33 19 A 1 ATOM 133 C CB . SER A 1 19 ? 10.582 -0.112 -2.406 1.00 96.72 19 A 1 ATOM 134 O OG . SER A 1 19 ? 9.664 0.798 -2.991 1.00 86.57 19 A 1 ATOM 135 N N . ILE A 1 20 ? 11.340 -2.974 -1.403 1.00 97.68 20 A 1 ATOM 136 C CA . ILE A 1 20 ? 12.299 -3.858 -0.746 1.00 97.21 20 A 1 ATOM 137 C C . ILE A 1 20 ? 12.443 -5.189 -1.476 1.00 97.20 20 A 1 ATOM 138 O O . ILE A 1 20 ? 13.490 -5.836 -1.401 1.00 96.14 20 A 1 ATOM 139 C CB . ILE A 1 20 ? 11.908 -4.121 0.716 1.00 96.47 20 A 1 ATOM 140 C CG1 . ILE A 1 20 ? 10.535 -4.782 0.800 1.00 93.53 20 A 1 ATOM 141 C CG2 . ILE A 1 20 ? 11.943 -2.824 1.510 1.00 92.78 20 A 1 ATOM 142 C CD1 . ILE A 1 20 ? 10.117 -5.162 2.204 1.00 87.03 20 A 1 ATOM 143 N N . THR A 1 21 ? 11.388 -5.617 -2.161 1.00 96.80 21 A 1 ATOM 144 C CA . THR A 1 21 ? 11.414 -6.886 -2.887 1.00 96.11 21 A 1 ATOM 145 C C . THR A 1 21 ? 11.982 -6.721 -4.294 1.00 95.82 21 A 1 ATOM 146 O O . THR A 1 21 ? 12.618 -7.635 -4.823 1.00 93.64 21 A 1 ATOM 147 C CB . THR A 1 21 ? 10.013 -7.502 -2.991 1.00 94.33 21 A 1 ATOM 148 O OG1 . THR A 1 21 ? 9.105 -6.563 -3.553 1.00 87.32 21 A 1 ATOM 149 C CG2 . THR A 1 21 ? 9.519 -7.940 -1.630 1.00 85.56 21 A 1 ATOM 150 N N . SER A 1 22 ? 11.755 -5.566 -4.892 1.00 94.22 22 A 1 ATOM 151 C CA . SER A 1 22 ? 12.239 -5.289 -6.243 1.00 93.01 22 A 1 ATOM 152 C C . SER A 1 22 ? 13.711 -4.888 -6.248 1.00 91.68 22 A 1 ATOM 153 O O . SER A 1 22 ? 14.483 -5.317 -7.106 1.00 86.36 22 A 1 ATOM 154 C CB . SER A 1 22 ? 11.413 -4.182 -6.890 1.00 89.91 22 A 1 ATOM 155 O OG . SER A 1 22 ? 11.848 -3.942 -8.211 1.00 77.17 22 A 1 ATOM 156 N N . ALA A 1 23 ? 14.109 -4.061 -5.288 1.00 91.51 23 A 1 ATOM 157 C CA . ALA A 1 23 ? 15.478 -3.578 -5.192 1.00 88.32 23 A 1 ATOM 158 C C . ALA A 1 23 ? 16.411 -4.646 -4.615 1.00 84.51 23 A 1 ATOM 159 O O . ALA A 1 23 ? 15.942 -5.497 -3.849 1.00 79.30 23 A 1 ATOM 160 C CB . ALA A 1 23 ? 15.536 -2.309 -4.347 1.00 82.76 23 A 1 ATOM 161 O OXT . ALA A 1 23 ? 17.614 -4.620 -4.924 1.00 73.90 23 A 1 #