# 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_spkb40429 # _entry.id spkb40429 # 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 H10 N3 O2" 156.162 HIS y HISTIDINE c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N ? "L-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" "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 LYS 3 1 n THR 4 1 n ILE 5 1 n ILE 6 1 n ALA 7 1 n SER 8 1 n SER 9 1 n LEU 10 1 n ALA 11 1 n VAL 12 1 n GLY 13 1 n LEU 14 1 n GLY 15 1 n VAL 16 1 n VAL 17 1 n ALA 18 1 n GLY 19 1 n ASN 20 1 n ALA 21 1 n GLY 22 1 n HIS 23 1 n ALA 24 1 n ASP 25 1 n ALA 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 @ 2025-07-04 13:04:48)" _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 88.42 _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 84.65 1 1 A LYS 2 2 85.41 1 2 A LYS 3 2 87.61 1 3 A THR 4 2 88.77 1 4 A ILE 5 2 89.06 1 5 A ILE 6 2 91.19 1 6 A ALA 7 2 94.74 1 7 A SER 8 2 92.52 1 8 A SER 9 2 92.92 1 9 A LEU 10 2 90.59 1 10 A ALA 11 2 94.63 1 11 A VAL 12 2 92.38 1 12 A GLY 13 2 94.65 1 13 A LEU 14 2 91.06 1 14 A GLY 15 2 95.26 1 15 A VAL 16 2 92.47 1 16 A VAL 17 2 93.55 1 17 A ALA 18 2 94.15 1 18 A GLY 19 2 92.40 1 19 A ASN 20 2 86.63 1 20 A ALA 21 2 91.20 1 21 A GLY 22 2 88.79 1 22 A HIS 23 2 79.86 1 23 A ALA 24 2 84.35 1 24 A ASP 25 2 74.33 1 25 A ALA 26 2 73.58 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 LYS . 2 A 2 A 3 1 n LYS . 3 A 3 A 4 1 n THR . 4 A 4 A 5 1 n ILE . 5 A 5 A 6 1 n ILE . 6 A 6 A 7 1 n ALA . 7 A 7 A 8 1 n SER . 8 A 8 A 9 1 n SER . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n ALA . 11 A 11 A 12 1 n VAL . 12 A 12 A 13 1 n GLY . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n GLY . 15 A 15 A 16 1 n VAL . 16 A 16 A 17 1 n VAL . 17 A 17 A 18 1 n ALA . 18 A 18 A 19 1 n GLY . 19 A 19 A 20 1 n ASN . 20 A 20 A 21 1 n ALA . 21 A 21 A 22 1 n GLY . 22 A 22 A 23 1 n HIS . 23 A 23 A 24 1 n ALA . 24 A 24 A 25 1 n ASP . 25 A 25 A 26 1 n ALA . 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 ? -18.455 -6.844 1.241 1.00 89.00 1 A 1 ATOM 2 C CA . MET A 1 1 ? -17.741 -6.005 0.247 1.00 92.33 1 A 1 ATOM 3 C C . MET A 1 1 ? -16.829 -4.945 0.878 1.00 93.51 1 A 1 ATOM 4 O O . MET A 1 1 ? -15.673 -4.869 0.502 1.00 90.11 1 A 1 ATOM 5 C CB . MET A 1 1 ? -18.724 -5.385 -0.752 1.00 87.10 1 A 1 ATOM 6 C CG . MET A 1 1 ? -19.375 -6.483 -1.616 1.00 81.62 1 A 1 ATOM 7 S SD . MET A 1 1 ? -20.576 -5.832 -2.789 1.00 76.80 1 A 1 ATOM 8 C CE . MET A 1 1 ? -21.101 -7.352 -3.603 1.00 66.74 1 A 1 ATOM 9 N N . LYS A 1 2 ? -17.284 -4.190 1.883 1.00 92.08 2 A 1 ATOM 10 C CA . LYS A 1 2 ? -16.478 -3.112 2.509 1.00 92.75 2 A 1 ATOM 11 C C . LYS A 1 2 ? -15.127 -3.584 3.077 1.00 93.53 2 A 1 ATOM 12 O O . LYS A 1 2 ? -14.107 -2.935 2.860 1.00 93.45 2 A 1 ATOM 13 C CB . LYS A 1 2 ? -17.300 -2.391 3.596 1.00 90.60 2 A 1 ATOM 14 C CG . LYS A 1 2 ? -18.529 -1.660 3.033 1.00 84.09 2 A 1 ATOM 15 C CD . LYS A 1 2 ? -19.303 -0.909 4.130 1.00 81.73 2 A 1 ATOM 16 C CE . LYS A 1 2 ? -20.531 -0.202 3.541 1.00 73.00 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? -21.309 0.552 4.571 1.00 67.44 2 A 1 ATOM 18 N N . LYS A 1 3 ? -15.092 -4.744 3.747 1.00 93.38 3 A 1 ATOM 19 C CA . LYS A 1 3 ? -13.858 -5.312 4.328 1.00 94.29 3 A 1 ATOM 20 C C . LYS A 1 3 ? -12.810 -5.669 3.265 1.00 94.98 3 A 1 ATOM 21 O O . LYS A 1 3 ? -11.626 -5.415 3.466 1.00 94.19 3 A 1 ATOM 22 C CB . LYS A 1 3 ? -14.185 -6.542 5.195 1.00 92.93 3 A 1 ATOM 23 C CG . LYS A 1 3 ? -15.052 -6.207 6.421 1.00 88.41 3 A 1 ATOM 24 C CD . LYS A 1 3 ? -15.279 -7.453 7.298 1.00 84.16 3 A 1 ATOM 25 C CE . LYS A 1 3 ? -16.146 -7.115 8.519 1.00 76.46 3 A 1 ATOM 26 N NZ . LYS A 1 3 ? -16.361 -8.302 9.406 1.00 69.67 3 A 1 ATOM 27 N N . THR A 1 4 ? -13.251 -6.206 2.128 1.00 90.91 4 A 1 ATOM 28 C CA . THR A 1 4 ? -12.371 -6.569 1.010 1.00 91.59 4 A 1 ATOM 29 C C . THR A 1 4 ? -11.725 -5.337 0.380 1.00 93.13 4 A 1 ATOM 30 O O . THR A 1 4 ? -10.527 -5.345 0.126 1.00 91.92 4 A 1 ATOM 31 C CB . THR A 1 4 ? -13.157 -7.340 -0.061 1.00 90.60 4 A 1 ATOM 32 O OG1 . THR A 1 4 ? -13.953 -8.334 0.551 1.00 83.57 4 A 1 ATOM 33 C CG2 . THR A 1 4 ? -12.250 -8.019 -1.078 1.00 79.69 4 A 1 ATOM 34 N N . ILE A 1 5 ? -12.488 -4.260 0.192 1.00 91.19 5 A 1 ATOM 35 C CA . ILE A 1 5 ? -11.977 -3.002 -0.372 1.00 91.83 5 A 1 ATOM 36 C C . ILE A 1 5 ? -10.888 -2.416 0.531 1.00 92.78 5 A 1 ATOM 37 O O . ILE A 1 5 ? -9.808 -2.081 0.051 1.00 92.10 5 A 1 ATOM 38 C CB . ILE A 1 5 ? -13.131 -2.005 -0.607 1.00 91.95 5 A 1 ATOM 39 C CG1 . ILE A 1 5 ? -14.116 -2.566 -1.664 1.00 88.36 5 A 1 ATOM 40 C CG2 . ILE A 1 5 ? -12.592 -0.634 -1.055 1.00 85.89 5 A 1 ATOM 41 C CD1 . ILE A 1 5 ? -15.411 -1.765 -1.789 1.00 78.40 5 A 1 ATOM 42 N N . ILE A 1 6 ? -11.133 -2.360 1.845 1.00 94.13 6 A 1 ATOM 43 C CA . ILE A 1 6 ? -10.163 -1.840 2.823 1.00 93.46 6 A 1 ATOM 44 C C . ILE A 1 6 ? -8.876 -2.674 2.806 1.00 93.33 6 A 1 ATOM 45 O O . ILE A 1 6 ? -7.784 -2.112 2.761 1.00 92.95 6 A 1 ATOM 46 C CB . ILE A 1 6 ? -10.797 -1.792 4.227 1.00 94.08 6 A 1 ATOM 47 C CG1 . ILE A 1 6 ? -11.965 -0.776 4.258 1.00 91.06 6 A 1 ATOM 48 C CG2 . ILE A 1 6 ? -9.750 -1.427 5.298 1.00 88.44 6 A 1 ATOM 49 C CD1 . ILE A 1 6 ? -12.844 -0.880 5.510 1.00 82.03 6 A 1 ATOM 50 N N . ALA A 1 7 ? -8.990 -4.005 2.805 1.00 95.46 7 A 1 ATOM 51 C CA . ALA A 1 7 ? -7.836 -4.898 2.766 1.00 95.20 7 A 1 ATOM 52 C C . ALA A 1 7 ? -7.018 -4.736 1.475 1.00 94.96 7 A 1 ATOM 53 O O . ALA A 1 7 ? -5.790 -4.652 1.537 1.00 93.77 7 A 1 ATOM 54 C CB . ALA A 1 7 ? -8.334 -6.336 2.943 1.00 94.32 7 A 1 ATOM 55 N N . SER A 1 8 ? -7.675 -4.614 0.318 1.00 95.94 8 A 1 ATOM 56 C CA . SER A 1 8 ? -7.007 -4.386 -0.963 1.00 95.11 8 A 1 ATOM 57 C C . SER A 1 8 ? -6.312 -3.024 -1.015 1.00 95.53 8 A 1 ATOM 58 O O . SER A 1 8 ? -5.155 -2.954 -1.414 1.00 94.72 8 A 1 ATOM 59 C CB . SER A 1 8 ? -8.005 -4.499 -2.119 1.00 93.54 8 A 1 ATOM 60 O OG . SER A 1 8 ? -8.556 -5.803 -2.181 1.00 80.29 8 A 1 ATOM 61 N N . SER A 1 9 ? -6.962 -1.955 -0.552 1.00 95.02 9 A 1 ATOM 62 C CA . SER A 1 9 ? -6.361 -0.616 -0.509 1.00 95.06 9 A 1 ATOM 63 C C . SER A 1 9 ? -5.153 -0.557 0.432 1.00 95.78 9 A 1 ATOM 64 O O . SER A 1 9 ? -4.147 0.061 0.095 1.00 94.80 9 A 1 ATOM 65 C CB . SER A 1 9 ? -7.393 0.425 -0.064 1.00 93.46 9 A 1 ATOM 66 O OG . SER A 1 9 ? -8.468 0.493 -0.984 1.00 83.39 9 A 1 ATOM 67 N N . LEU A 1 10 ? -5.218 -1.243 1.586 1.00 95.44 10 A 1 ATOM 68 C CA . LEU A 1 10 ? -4.100 -1.328 2.524 1.00 94.81 10 A 1 ATOM 69 C C . LEU A 1 10 ? -2.919 -2.095 1.920 1.00 95.73 10 A 1 ATOM 70 O O . LEU A 1 10 ? -1.786 -1.630 1.999 1.00 95.19 10 A 1 ATOM 71 C CB . LEU A 1 10 ? -4.596 -1.980 3.827 1.00 93.92 10 A 1 ATOM 72 C CG . LEU A 1 10 ? -3.515 -2.079 4.920 1.00 85.02 10 A 1 ATOM 73 C CD1 . LEU A 1 10 ? -3.058 -0.700 5.394 1.00 81.15 10 A 1 ATOM 74 C CD2 . LEU A 1 10 ? -4.076 -2.848 6.119 1.00 83.47 10 A 1 ATOM 75 N N . ALA A 1 11 ? -3.169 -3.239 1.272 1.00 95.01 11 A 1 ATOM 76 C CA . ALA A 1 11 ? -2.131 -4.033 0.622 1.00 95.04 11 A 1 ATOM 77 C C . ALA A 1 11 ? -1.434 -3.262 -0.509 1.00 95.53 11 A 1 ATOM 78 O O . ALA A 1 11 ? -0.207 -3.271 -0.594 1.00 93.66 11 A 1 ATOM 79 C CB . ALA A 1 11 ? -2.764 -5.331 0.108 1.00 93.89 11 A 1 ATOM 80 N N . VAL A 1 12 ? -2.198 -2.540 -1.334 1.00 93.77 12 A 1 ATOM 81 C CA . VAL A 1 12 ? -1.648 -1.677 -2.390 1.00 94.48 12 A 1 ATOM 82 C C . VAL A 1 12 ? -0.825 -0.541 -1.786 1.00 95.00 12 A 1 ATOM 83 O O . VAL A 1 12 ? 0.303 -0.324 -2.215 1.00 92.93 12 A 1 ATOM 84 C CB . VAL A 1 12 ? -2.770 -1.138 -3.295 1.00 93.45 12 A 1 ATOM 85 C CG1 . VAL A 1 12 ? -2.270 -0.080 -4.285 1.00 88.63 12 A 1 ATOM 86 C CG2 . VAL A 1 12 ? -3.386 -2.276 -4.120 1.00 88.39 12 A 1 ATOM 87 N N . GLY A 1 13 ? -1.336 0.134 -0.762 1.00 94.90 13 A 1 ATOM 88 C CA . GLY A 1 13 ? -0.616 1.217 -0.090 1.00 94.28 13 A 1 ATOM 89 C C . GLY A 1 13 ? 0.717 0.761 0.504 1.00 95.12 13 A 1 ATOM 90 O O . GLY A 1 13 ? 1.746 1.389 0.256 1.00 94.31 13 A 1 ATOM 91 N N . LEU A 1 14 ? 0.734 -0.361 1.214 1.00 95.99 14 A 1 ATOM 92 C CA . LEU A 1 14 ? 1.954 -0.941 1.777 1.00 95.82 14 A 1 ATOM 93 C C . LEU A 1 14 ? 2.938 -1.380 0.687 1.00 96.13 14 A 1 ATOM 94 O O . LEU A 1 14 ? 4.134 -1.133 0.816 1.00 94.65 14 A 1 ATOM 95 C CB . LEU A 1 14 ? 1.583 -2.132 2.674 1.00 94.48 14 A 1 ATOM 96 C CG . LEU A 1 14 ? 0.902 -1.741 3.995 1.00 87.00 14 A 1 ATOM 97 C CD1 . LEU A 1 14 ? 0.398 -3.005 4.691 1.00 82.08 14 A 1 ATOM 98 C CD2 . LEU A 1 14 ? 1.849 -1.013 4.942 1.00 82.29 14 A 1 ATOM 99 N N . GLY A 1 15 ? 2.446 -1.983 -0.401 1.00 95.50 15 A 1 ATOM 100 C CA . GLY A 1 15 ? 3.279 -2.381 -1.536 1.00 94.99 15 A 1 ATOM 101 C C . GLY A 1 15 ? 3.943 -1.193 -2.234 1.00 95.79 15 A 1 ATOM 102 O O . GLY A 1 15 ? 5.133 -1.252 -2.544 1.00 94.76 15 A 1 ATOM 103 N N . VAL A 1 16 ? 3.217 -0.089 -2.427 1.00 94.16 16 A 1 ATOM 104 C CA . VAL A 1 16 ? 3.758 1.146 -3.017 1.00 94.47 16 A 1 ATOM 105 C C . VAL A 1 16 ? 4.804 1.780 -2.103 1.00 94.74 16 A 1 ATOM 106 O O . VAL A 1 16 ? 5.873 2.147 -2.578 1.00 93.38 16 A 1 ATOM 107 C CB . VAL A 1 16 ? 2.627 2.141 -3.344 1.00 93.44 16 A 1 ATOM 108 C CG1 . VAL A 1 16 ? 3.155 3.518 -3.768 1.00 88.84 16 A 1 ATOM 109 C CG2 . VAL A 1 16 ? 1.768 1.618 -4.503 1.00 88.23 16 A 1 ATOM 110 N N . VAL A 1 17 ? 4.545 1.866 -0.797 1.00 96.06 17 A 1 ATOM 111 C CA . VAL A 1 17 ? 5.505 2.430 0.167 1.00 95.34 17 A 1 ATOM 112 C C . VAL A 1 17 ? 6.775 1.583 0.233 1.00 94.96 17 A 1 ATOM 113 O O . VAL A 1 17 ? 7.871 2.132 0.145 1.00 93.69 17 A 1 ATOM 114 C CB . VAL A 1 17 ? 4.861 2.585 1.557 1.00 94.18 17 A 1 ATOM 115 C CG1 . VAL A 1 17 ? 5.873 2.972 2.638 1.00 90.32 17 A 1 ATOM 116 C CG2 . VAL A 1 17 ? 3.794 3.684 1.533 1.00 90.28 17 A 1 ATOM 117 N N . ALA A 1 18 ? 6.654 0.260 0.326 1.00 96.12 18 A 1 ATOM 118 C CA . ALA A 1 18 ? 7.801 -0.641 0.367 1.00 95.00 18 A 1 ATOM 119 C C . ALA A 1 18 ? 8.609 -0.611 -0.941 1.00 94.27 18 A 1 ATOM 120 O O . ALA A 1 18 ? 9.837 -0.547 -0.901 1.00 91.78 18 A 1 ATOM 121 C CB . ALA A 1 18 ? 7.293 -2.052 0.684 1.00 93.59 18 A 1 ATOM 122 N N . GLY A 1 19 ? 7.934 -0.599 -2.095 1.00 94.32 19 A 1 ATOM 123 C CA . GLY A 1 19 ? 8.584 -0.499 -3.401 1.00 92.62 19 A 1 ATOM 124 C C . GLY A 1 19 ? 9.304 0.838 -3.600 1.00 92.36 19 A 1 ATOM 125 O O . GLY A 1 19 ? 10.443 0.854 -4.065 1.00 90.28 19 A 1 ATOM 126 N N . ASN A 1 20 ? 8.684 1.942 -3.188 1.00 93.52 20 A 1 ATOM 127 C CA . ASN A 1 20 ? 9.292 3.271 -3.294 1.00 92.54 20 A 1 ATOM 128 C C . ASN A 1 20 ? 10.472 3.447 -2.331 1.00 91.01 20 A 1 ATOM 129 O O . ASN A 1 20 ? 11.480 4.035 -2.714 1.00 88.67 20 A 1 ATOM 130 C CB . ASN A 1 20 ? 8.206 4.327 -3.067 1.00 91.22 20 A 1 ATOM 131 C CG . ASN A 1 20 ? 8.699 5.709 -3.410 1.00 83.80 20 A 1 ATOM 132 O OD1 . ASN A 1 20 ? 8.828 6.072 -4.560 1.00 76.01 20 A 1 ATOM 133 N ND2 . ASN A 1 20 ? 8.980 6.533 -2.428 1.00 76.31 20 A 1 ATOM 134 N N . ALA A 1 21 ? 10.390 2.900 -1.108 1.00 93.49 21 A 1 ATOM 135 C CA . ALA A 1 21 ? 11.503 2.908 -0.161 1.00 92.42 21 A 1 ATOM 136 C C . ALA A 1 21 ? 12.694 2.096 -0.691 1.00 91.26 21 A 1 ATOM 137 O O . ALA A 1 21 ? 13.818 2.589 -0.683 1.00 87.81 21 A 1 ATOM 138 C CB . ALA A 1 21 ? 11.006 2.380 1.190 1.00 91.02 21 A 1 ATOM 139 N N . GLY A 1 22 ? 12.448 0.891 -1.232 1.00 91.01 22 A 1 ATOM 140 C CA . GLY A 1 22 ? 13.502 0.073 -1.840 1.00 88.75 22 A 1 ATOM 141 C C . GLY A 1 22 ? 14.124 0.696 -3.095 1.00 88.85 22 A 1 ATOM 142 O O . GLY A 1 22 ? 15.305 0.489 -3.354 1.00 86.55 22 A 1 ATOM 143 N N . HIS A 1 23 ? 13.353 1.482 -3.863 1.00 88.83 23 A 1 ATOM 144 C CA . HIS A 1 23 ? 13.885 2.200 -5.028 1.00 88.14 23 A 1 ATOM 145 C C . HIS A 1 23 ? 14.694 3.445 -4.639 1.00 87.75 23 A 1 ATOM 146 O O . HIS A 1 23 ? 15.618 3.814 -5.354 1.00 85.15 23 A 1 ATOM 147 C CB . HIS A 1 23 ? 12.733 2.573 -5.965 1.00 86.47 23 A 1 ATOM 148 C CG . HIS A 1 23 ? 13.199 3.113 -7.289 1.00 81.00 23 A 1 ATOM 149 N ND1 . HIS A 1 23 ? 13.875 2.394 -8.250 1.00 71.63 23 A 1 ATOM 150 C CD2 . HIS A 1 23 ? 13.051 4.382 -7.773 1.00 69.77 23 A 1 ATOM 151 C CE1 . HIS A 1 23 ? 14.128 3.218 -9.278 1.00 71.06 23 A 1 ATOM 152 N NE2 . HIS A 1 23 ? 13.635 4.438 -9.037 1.00 68.76 23 A 1 ATOM 153 N N . ALA A 1 24 ? 14.374 4.086 -3.508 1.00 85.42 24 A 1 ATOM 154 C CA . ALA A 1 24 ? 15.119 5.251 -3.018 1.00 85.50 24 A 1 ATOM 155 C C . ALA A 1 24 ? 16.491 4.882 -2.421 1.00 85.36 24 A 1 ATOM 156 O O . ALA A 1 24 ? 17.354 5.751 -2.328 1.00 81.96 24 A 1 ATOM 157 C CB . ALA A 1 24 ? 14.240 5.987 -2.000 1.00 83.51 24 A 1 ATOM 158 N N . ASP A 1 25 ? 16.680 3.614 -2.027 1.00 82.05 25 A 1 ATOM 159 C CA . ASP A 1 25 ? 17.935 3.087 -1.473 1.00 80.60 25 A 1 ATOM 160 C C . ASP A 1 25 ? 18.853 2.456 -2.542 1.00 79.50 25 A 1 ATOM 161 O O . ASP A 1 25 ? 19.943 1.989 -2.218 1.00 75.56 25 A 1 ATOM 162 C CB . ASP A 1 25 ? 17.610 2.090 -0.344 1.00 77.21 25 A 1 ATOM 163 C CG . ASP A 1 25 ? 17.946 2.623 1.050 1.00 69.35 25 A 1 ATOM 164 O OD1 . ASP A 1 25 ? 19.154 2.707 1.369 1.00 65.93 25 A 1 ATOM 165 O OD2 . ASP A 1 25 ? 16.999 2.912 1.817 1.00 64.44 25 A 1 ATOM 166 N N . ALA A 1 26 ? 18.424 2.410 -3.810 1.00 79.80 26 A 1 ATOM 167 C CA . ALA A 1 26 ? 19.168 1.813 -4.934 1.00 79.62 26 A 1 ATOM 168 C C . ALA A 1 26 ? 19.889 2.873 -5.770 1.00 74.82 26 A 1 ATOM 169 O O . ALA A 1 26 ? 21.052 2.623 -6.158 1.00 68.87 26 A 1 ATOM 170 C CB . ALA A 1 26 ? 18.194 0.990 -5.786 1.00 73.16 26 A 1 ATOM 171 O OXT . ALA A 1 26 ? 19.269 3.924 -6.055 1.00 65.20 26 A 1 #