# 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_spkb36944 # _entry.id spkb36944 # 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 SER 2 1 n THR 3 1 n PHE 4 1 n ALA 5 1 n PHE 6 1 n LEU 7 1 n LEU 8 1 n PHE 9 1 n CYS 10 1 n ALA 11 1 n GLN 12 1 n ALA 13 1 n CYS 14 1 n LEU 15 1 n ILE 16 1 n GLN 17 1 n ASN 18 1 n VAL 19 1 n CYS 20 1 n GLY 21 # _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 @ 2025-07-04 20:27:46)" _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 91.17 _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 77.81 1 1 A SER 2 2 81.75 1 2 A THR 3 2 88.91 1 3 A PHE 4 2 91.83 1 4 A ALA 5 2 93.76 1 5 A PHE 6 2 91.44 1 6 A LEU 7 2 91.93 1 7 A LEU 8 2 93.09 1 8 A PHE 9 2 92.99 1 9 A CYS 10 2 93.42 1 10 A ALA 11 2 96.05 1 11 A GLN 12 2 91.95 1 12 A ALA 13 2 96.53 1 13 A CYS 14 2 95.12 1 14 A LEU 15 2 95.40 1 15 A ILE 16 2 95.69 1 16 A GLN 17 2 91.00 1 17 A ASN 18 2 91.22 1 18 A VAL 19 2 92.19 1 19 A CYS 20 2 89.83 1 20 A GLY 21 2 81.51 1 21 # _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 SER . 2 A 2 A 3 1 n THR . 3 A 3 A 4 1 n PHE . 4 A 4 A 5 1 n ALA . 5 A 5 A 6 1 n PHE . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n PHE . 9 A 9 A 10 1 n CYS . 10 A 10 A 11 1 n ALA . 11 A 11 A 12 1 n GLN . 12 A 12 A 13 1 n ALA . 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 GLN . 17 A 17 A 18 1 n ASN . 18 A 18 A 19 1 n VAL . 19 A 19 A 20 1 n CYS . 20 A 20 A 21 1 n GLY . 21 A 21 # _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 ? -3.765 -3.489 16.338 1.00 84.26 1 A 1 ATOM 2 C CA . MET A 1 1 ? -3.141 -3.815 15.047 1.00 85.45 1 A 1 ATOM 3 C C . MET A 1 1 ? -4.001 -4.799 14.253 1.00 86.26 1 A 1 ATOM 4 O O . MET A 1 1 ? -3.680 -5.977 14.154 1.00 83.48 1 A 1 ATOM 5 C CB . MET A 1 1 ? -1.762 -4.438 15.274 1.00 79.20 1 A 1 ATOM 6 C CG . MET A 1 1 ? -0.831 -3.555 16.073 1.00 74.00 1 A 1 ATOM 7 S SD . MET A 1 1 ? 0.674 -4.444 16.500 1.00 69.09 1 A 1 ATOM 8 C CE . MET A 1 1 ? 1.604 -3.138 17.288 1.00 60.70 1 A 1 ATOM 9 N N . SER A 1 2 ? -5.074 -4.328 13.707 1.00 81.98 2 A 1 ATOM 10 C CA . SER A 1 2 ? -5.967 -5.182 12.927 1.00 86.35 2 A 1 ATOM 11 C C . SER A 1 2 ? -5.792 -4.945 11.427 1.00 88.35 2 A 1 ATOM 12 O O . SER A 1 2 ? -5.341 -5.823 10.699 1.00 84.46 2 A 1 ATOM 13 C CB . SER A 1 2 ? -7.413 -4.918 13.343 1.00 80.09 2 A 1 ATOM 14 O OG . SER A 1 2 ? -7.645 -3.542 13.514 1.00 69.26 2 A 1 ATOM 15 N N . THR A 1 3 ? -6.138 -3.763 10.962 1.00 89.03 3 A 1 ATOM 16 C CA . THR A 1 3 ? -6.045 -3.419 9.541 1.00 91.63 3 A 1 ATOM 17 C C . THR A 1 3 ? -5.169 -2.189 9.317 1.00 92.90 3 A 1 ATOM 18 O O . THR A 1 3 ? -5.043 -1.700 8.198 1.00 91.93 3 A 1 ATOM 19 C CB . THR A 1 3 ? -7.439 -3.149 8.961 1.00 89.98 3 A 1 ATOM 20 O OG1 . THR A 1 3 ? -8.447 -3.455 9.909 1.00 83.75 3 A 1 ATOM 21 C CG2 . THR A 1 3 ? -7.665 -3.974 7.706 1.00 83.16 3 A 1 ATOM 22 N N . PHE A 1 4 ? -4.584 -1.691 10.367 1.00 94.59 4 A 1 ATOM 23 C CA . PHE A 1 4 ? -3.750 -0.494 10.289 1.00 94.62 4 A 1 ATOM 24 C C . PHE A 1 4 ? -2.445 -0.773 9.550 1.00 95.38 4 A 1 ATOM 25 O O . PHE A 1 4 ? -1.961 0.062 8.794 1.00 95.02 4 A 1 ATOM 26 C CB . PHE A 1 4 ? -3.458 0.008 11.698 1.00 94.13 4 A 1 ATOM 27 C CG . PHE A 1 4 ? -3.058 1.455 11.721 1.00 92.03 4 A 1 ATOM 28 C CD1 . PHE A 1 4 ? -4.007 2.453 11.554 1.00 89.70 4 A 1 ATOM 29 C CD2 . PHE A 1 4 ? -1.734 1.809 11.912 1.00 89.10 4 A 1 ATOM 30 C CE1 . PHE A 1 4 ? -3.636 3.788 11.577 1.00 88.66 4 A 1 ATOM 31 C CE2 . PHE A 1 4 ? -1.356 3.145 11.932 1.00 88.09 4 A 1 ATOM 32 C CZ . PHE A 1 4 ? -2.311 4.136 11.765 1.00 88.86 4 A 1 ATOM 33 N N . ALA A 1 5 ? -1.879 -1.945 9.753 1.00 93.32 5 A 1 ATOM 34 C CA . ALA A 1 5 ? -0.619 -2.326 9.105 1.00 93.96 5 A 1 ATOM 35 C C . ALA A 1 5 ? -0.778 -2.402 7.591 1.00 94.46 5 A 1 ATOM 36 O O . ALA A 1 5 ? 0.117 -2.028 6.841 1.00 93.85 5 A 1 ATOM 37 C CB . ALA A 1 5 ? -0.146 -3.662 9.648 1.00 93.21 5 A 1 ATOM 38 N N . PHE A 1 6 ? -1.923 -2.887 7.151 1.00 93.76 6 A 1 ATOM 39 C CA . PHE A 1 6 ? -2.206 -3.007 5.720 1.00 93.31 6 A 1 ATOM 40 C C . PHE A 1 6 ? -2.375 -1.633 5.080 1.00 94.08 6 A 1 ATOM 41 O O . PHE A 1 6 ? -1.846 -1.370 4.003 1.00 93.46 6 A 1 ATOM 42 C CB . PHE A 1 6 ? -3.471 -3.838 5.519 1.00 92.63 6 A 1 ATOM 43 C CG . PHE A 1 6 ? -3.898 -3.913 4.078 1.00 91.45 6 A 1 ATOM 44 C CD1 . PHE A 1 6 ? -2.990 -4.243 3.087 1.00 90.23 6 A 1 ATOM 45 C CD2 . PHE A 1 6 ? -5.216 -3.667 3.725 1.00 89.74 6 A 1 ATOM 46 C CE1 . PHE A 1 6 ? -3.388 -4.318 1.760 1.00 89.60 6 A 1 ATOM 47 C CE2 . PHE A 1 6 ? -5.615 -3.746 2.397 1.00 88.35 6 A 1 ATOM 48 C CZ . PHE A 1 6 ? -4.701 -4.068 1.417 1.00 89.27 6 A 1 ATOM 49 N N . LEU A 1 7 ? -3.109 -0.763 5.745 1.00 93.39 7 A 1 ATOM 50 C CA . LEU A 1 7 ? -3.348 0.588 5.231 1.00 93.71 7 A 1 ATOM 51 C C . LEU A 1 7 ? -2.056 1.396 5.199 1.00 94.39 7 A 1 ATOM 52 O O . LEU A 1 7 ? -1.848 2.211 4.303 1.00 94.39 7 A 1 ATOM 53 C CB . LEU A 1 7 ? -4.384 1.290 6.112 1.00 93.58 7 A 1 ATOM 54 C CG . LEU A 1 7 ? -5.804 0.762 5.942 1.00 89.97 7 A 1 ATOM 55 C CD1 . LEU A 1 7 ? -6.657 1.139 7.141 1.00 88.16 7 A 1 ATOM 56 C CD2 . LEU A 1 7 ? -6.427 1.317 4.670 1.00 87.87 7 A 1 ATOM 57 N N . LEU A 1 8 ? -1.204 1.171 6.170 1.00 94.72 8 A 1 ATOM 58 C CA . LEU A 1 8 ? 0.077 1.872 6.251 1.00 94.57 8 A 1 ATOM 59 C C . LEU A 1 8 ? 0.971 1.516 5.067 1.00 94.82 8 A 1 ATOM 60 O O . LEU A 1 8 ? 1.569 2.387 4.437 1.00 94.73 8 A 1 ATOM 61 C CB . LEU A 1 8 ? 0.771 1.504 7.566 1.00 94.41 8 A 1 ATOM 62 C CG . LEU A 1 8 ? 2.256 1.836 7.613 1.00 91.53 8 A 1 ATOM 63 C CD1 . LEU A 1 8 ? 2.466 3.333 7.800 1.00 90.01 8 A 1 ATOM 64 C CD2 . LEU A 1 8 ? 2.919 1.074 8.751 1.00 89.93 8 A 1 ATOM 65 N N . PHE A 1 9 ? 1.068 0.236 4.765 1.00 94.72 9 A 1 ATOM 66 C CA . PHE A 1 9 ? 1.889 -0.239 3.651 1.00 94.28 9 A 1 ATOM 67 C C . PHE A 1 9 ? 1.230 0.080 2.315 1.00 94.50 9 A 1 ATOM 68 O O . PHE A 1 9 ? 1.904 0.240 1.301 1.00 93.76 9 A 1 ATOM 69 C CB . PHE A 1 9 ? 2.103 -1.744 3.781 1.00 94.12 9 A 1 ATOM 70 C CG . PHE A 1 9 ? 3.348 -2.091 4.552 1.00 93.33 9 A 1 ATOM 71 C CD1 . PHE A 1 9 ? 3.601 -1.520 5.785 1.00 91.79 9 A 1 ATOM 72 C CD2 . PHE A 1 9 ? 4.263 -2.997 4.029 1.00 91.81 9 A 1 ATOM 73 C CE1 . PHE A 1 9 ? 4.747 -1.838 6.490 1.00 91.67 9 A 1 ATOM 74 C CE2 . PHE A 1 9 ? 5.411 -3.323 4.736 1.00 91.19 9 A 1 ATOM 75 C CZ . PHE A 1 9 ? 5.652 -2.741 5.964 1.00 91.68 9 A 1 ATOM 76 N N . CYS A 1 10 ? -0.082 0.176 2.314 1.00 94.61 10 A 1 ATOM 77 C CA . CYS A 1 10 ? -0.832 0.483 1.097 1.00 94.43 10 A 1 ATOM 78 C C . CYS A 1 10 ? -0.489 1.878 0.586 1.00 94.72 10 A 1 ATOM 79 O O . CYS A 1 10 ? -0.404 2.105 -0.615 1.00 93.62 10 A 1 ATOM 80 C CB . CYS A 1 10 ? -2.329 0.383 1.371 1.00 93.42 10 A 1 ATOM 81 S SG . CYS A 1 10 ? -3.196 -0.748 0.266 1.00 89.74 10 A 1 ATOM 82 N N . ALA A 1 11 ? -0.303 2.809 1.503 1.00 95.88 11 A 1 ATOM 83 C CA . ALA A 1 11 ? 0.016 4.186 1.129 1.00 96.15 11 A 1 ATOM 84 C C . ALA A 1 11 ? 1.338 4.259 0.366 1.00 96.54 11 A 1 ATOM 85 O O . ALA A 1 11 ? 1.465 5.012 -0.597 1.00 95.69 11 A 1 ATOM 86 C CB . ALA A 1 11 ? 0.077 5.051 2.382 1.00 95.97 11 A 1 ATOM 87 N N . GLN A 1 12 ? 2.315 3.477 0.795 1.00 96.35 12 A 1 ATOM 88 C CA . GLN A 1 12 ? 3.627 3.455 0.140 1.00 96.09 12 A 1 ATOM 89 C C . GLN A 1 12 ? 3.571 2.719 -1.194 1.00 96.69 12 A 1 ATOM 90 O O . GLN A 1 12 ? 4.137 3.175 -2.187 1.00 95.45 12 A 1 ATOM 91 C CB . GLN A 1 12 ? 4.650 2.788 1.058 1.00 95.16 12 A 1 ATOM 92 C CG . GLN A 1 12 ? 5.304 3.775 1.999 1.00 91.10 12 A 1 ATOM 93 C CD . GLN A 1 12 ? 6.261 3.100 2.957 1.00 89.24 12 A 1 ATOM 94 O OE1 . GLN A 1 12 ? 5.967 2.935 4.127 1.00 84.34 12 A 1 ATOM 95 N NE2 . GLN A 1 12 ? 7.419 2.685 2.471 1.00 83.17 12 A 1 ATOM 96 N N . ALA A 1 13 ? 2.896 1.590 -1.223 1.00 96.58 13 A 1 ATOM 97 C CA . ALA A 1 13 ? 2.773 0.793 -2.441 1.00 96.69 13 A 1 ATOM 98 C C . ALA A 1 13 ? 1.916 1.506 -3.485 1.00 97.15 13 A 1 ATOM 99 O O . ALA A 1 13 ? 2.168 1.400 -4.681 1.00 96.10 13 A 1 ATOM 100 C CB . ALA A 1 13 ? 2.175 -0.568 -2.107 1.00 96.14 13 A 1 ATOM 101 N N . CYS A 1 14 ? 0.909 2.229 -3.046 1.00 96.19 14 A 1 ATOM 102 C CA . CYS A 1 14 ? 0.010 2.954 -3.946 1.00 96.15 14 A 1 ATOM 103 C C . CYS A 1 14 ? 0.721 4.137 -4.601 1.00 96.65 14 A 1 ATOM 104 O O . CYS A 1 14 ? 0.276 4.640 -5.628 1.00 95.33 14 A 1 ATOM 105 C CB . CYS A 1 14 ? -1.214 3.445 -3.170 1.00 95.26 14 A 1 ATOM 106 S SG . CYS A 1 14 ? -2.772 2.926 -3.911 1.00 91.13 14 A 1 ATOM 107 N N . LEU A 1 15 ? 1.803 4.585 -3.991 1.00 97.06 15 A 1 ATOM 108 C CA . LEU A 1 15 ? 2.554 5.728 -4.514 1.00 97.13 15 A 1 ATOM 109 C C . LEU A 1 15 ? 3.637 5.294 -5.495 1.00 97.41 15 A 1 ATOM 110 O O . LEU A 1 15 ? 3.836 5.925 -6.531 1.00 96.78 15 A 1 ATOM 111 C CB . LEU A 1 15 ? 3.171 6.501 -3.347 1.00 96.96 15 A 1 ATOM 112 C CG . LEU A 1 15 ? 2.753 7.964 -3.286 1.00 94.65 15 A 1 ATOM 113 C CD1 . LEU A 1 15 ? 2.427 8.375 -1.856 1.00 91.26 15 A 1 ATOM 114 C CD2 . LEU A 1 15 ? 3.860 8.840 -3.847 1.00 91.96 15 A 1 ATOM 115 N N . ILE A 1 16 ? 4.337 4.217 -5.168 1.00 97.37 16 A 1 ATOM 116 C CA . ILE A 1 16 ? 5.419 3.724 -6.014 1.00 97.23 16 A 1 ATOM 117 C C . ILE A 1 16 ? 4.910 2.925 -7.209 1.00 97.25 16 A 1 ATOM 118 O O . ILE A 1 16 ? 5.382 3.113 -8.335 1.00 96.46 16 A 1 ATOM 119 C CB . ILE A 1 16 ? 6.413 2.888 -5.185 1.00 96.79 16 A 1 ATOM 120 C CG1 . ILE A 1 16 ? 7.551 2.391 -6.074 1.00 95.33 16 A 1 ATOM 121 C CG2 . ILE A 1 16 ? 5.714 1.714 -4.502 1.00 94.43 16 A 1 ATOM 122 C CD1 . ILE A 1 16 ? 8.742 1.913 -5.293 1.00 90.67 16 A 1 ATOM 123 N N . GLN A 1 17 ? 3.957 2.044 -6.973 1.00 96.88 17 A 1 ATOM 124 C CA . GLN A 1 17 ? 3.424 1.193 -8.044 1.00 96.74 17 A 1 ATOM 125 C C . GLN A 1 17 ? 1.901 1.244 -8.125 1.00 96.91 17 A 1 ATOM 126 O O . GLN A 1 17 ? 1.310 0.689 -9.046 1.00 94.66 17 A 1 ATOM 127 C CB . GLN A 1 17 ? 3.881 -0.248 -7.839 1.00 95.74 17 A 1 ATOM 128 C CG . GLN A 1 17 ? 4.336 -0.879 -9.144 1.00 90.87 17 A 1 ATOM 129 C CD . GLN A 1 17 ? 4.636 -2.357 -8.992 1.00 87.10 17 A 1 ATOM 130 O OE1 . GLN A 1 17 ? 4.679 -2.894 -7.891 1.00 81.56 17 A 1 ATOM 131 N NE2 . GLN A 1 17 ? 4.842 -3.043 -10.101 1.00 78.50 17 A 1 ATOM 132 N N . ASN A 1 18 ? 1.286 1.909 -7.179 1.00 95.31 18 A 1 ATOM 133 C CA . ASN A 1 18 ? -0.175 2.022 -7.137 1.00 95.75 18 A 1 ATOM 134 C C . ASN A 1 18 ? -0.839 0.650 -7.006 1.00 96.01 18 A 1 ATOM 135 O O . ASN A 1 18 ? -1.958 0.450 -7.474 1.00 94.62 18 A 1 ATOM 136 C CB . ASN A 1 18 ? -0.682 2.727 -8.398 1.00 95.14 18 A 1 ATOM 137 C CG . ASN A 1 18 ? -1.963 3.494 -8.139 1.00 89.03 18 A 1 ATOM 138 O OD1 . ASN A 1 18 ? -2.497 3.501 -7.039 1.00 82.22 18 A 1 ATOM 139 N ND2 . ASN A 1 18 ? -2.478 4.152 -9.165 1.00 81.66 18 A 1 ATOM 140 N N . VAL A 1 19 ? -0.147 -0.273 -6.394 1.00 95.18 19 A 1 ATOM 141 C CA . VAL A 1 19 ? -0.669 -1.633 -6.212 1.00 94.60 19 A 1 ATOM 142 C C . VAL A 1 19 ? -1.150 -1.836 -4.774 1.00 94.62 19 A 1 ATOM 143 O O . VAL A 1 19 ? -0.582 -2.608 -4.008 1.00 92.86 19 A 1 ATOM 144 C CB . VAL A 1 19 ? 0.401 -2.673 -6.599 1.00 93.27 19 A 1 ATOM 145 C CG1 . VAL A 1 19 ? 1.623 -2.580 -5.695 1.00 87.37 19 A 1 ATOM 146 C CG2 . VAL A 1 19 ? -0.190 -4.070 -6.591 1.00 87.44 19 A 1 ATOM 147 N N . CYS A 1 20 ? -2.190 -1.134 -4.431 1.00 91.65 20 A 1 ATOM 148 C CA . CYS A 1 20 ? -2.763 -1.224 -3.082 1.00 90.99 20 A 1 ATOM 149 C C . CYS A 1 20 ? -3.999 -2.121 -3.058 1.00 91.57 20 A 1 ATOM 150 O O . CYS A 1 20 ? -5.094 -1.689 -3.398 1.00 89.40 20 A 1 ATOM 151 C CB . CYS A 1 20 ? -3.118 0.186 -2.607 1.00 89.28 20 A 1 ATOM 152 S SG . CYS A 1 20 ? -4.105 0.222 -1.100 1.00 86.06 20 A 1 ATOM 153 N N . GLY A 1 21 ? -3.815 -3.333 -2.661 1.00 85.72 21 A 1 ATOM 154 C CA . GLY A 1 21 ? -4.932 -4.269 -2.584 1.00 83.81 21 A 1 ATOM 155 C C . GLY A 1 21 ? -4.661 -5.535 -3.366 1.00 82.69 21 A 1 ATOM 156 O O . GLY A 1 21 ? -4.529 -5.464 -4.586 1.00 77.85 21 A 1 ATOM 157 O OXT . GLY A 1 21 ? -4.586 -6.604 -2.726 1.00 77.47 21 A 1 #