# 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_spkb42996 # _entry.id spkb42996 # 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" "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" "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 ILE 3 1 n ALA 4 1 n SER 5 1 n LEU 6 1 n LYS 7 1 n LEU 8 1 n LEU 9 1 n LEU 10 1 n LEU 11 1 n VAL 12 1 n SER 13 1 n LEU 14 1 n LEU 15 1 n PHE 16 1 n ALA 17 1 n VAL 18 1 n THR 19 1 n GLN 20 1 n ASN 21 1 n GLY 22 1 n ILE 23 1 n SER 24 # _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 @ 2025-07-02 15:14:21)" _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 90.03 _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 77.06 1 1 A LYS 2 2 79.76 1 2 A ILE 3 2 84.82 1 3 A ALA 4 2 94.41 1 4 A SER 5 2 92.01 1 5 A LEU 6 2 92.60 1 6 A LYS 7 2 89.54 1 7 A LEU 8 2 93.34 1 8 A LEU 9 2 93.18 1 9 A LEU 10 2 93.39 1 10 A LEU 11 2 92.68 1 11 A VAL 12 2 96.56 1 12 A SER 13 2 95.02 1 13 A LEU 14 2 93.17 1 14 A LEU 15 2 93.60 1 15 A PHE 16 2 92.27 1 16 A ALA 17 2 96.80 1 17 A VAL 18 2 95.06 1 18 A THR 19 2 93.39 1 19 A GLN 20 2 89.81 1 20 A ASN 21 2 88.16 1 21 A GLY 22 2 89.54 1 22 A ILE 23 2 85.05 1 23 A SER 24 2 75.71 1 24 # _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 ILE . 3 A 3 A 4 1 n ALA . 4 A 4 A 5 1 n SER . 5 A 5 A 6 1 n LEU . 6 A 6 A 7 1 n LYS . 7 A 7 A 8 1 n LEU . 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 VAL . 12 A 12 A 13 1 n SER . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n PHE . 16 A 16 A 17 1 n ALA . 17 A 17 A 18 1 n VAL . 18 A 18 A 19 1 n THR . 19 A 19 A 20 1 n GLN . 20 A 20 A 21 1 n ASN . 21 A 21 A 22 1 n GLY . 22 A 22 A 23 1 n ILE . 23 A 23 A 24 1 n SER . 24 A 24 # _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 ? -18.973 -6.315 -2.736 1.00 82.78 1 A 1 ATOM 2 C CA . MET A 1 1 ? -17.506 -6.221 -2.888 1.00 87.02 1 A 1 ATOM 3 C C . MET A 1 1 ? -17.050 -4.925 -2.220 1.00 87.94 1 A 1 ATOM 4 O O . MET A 1 1 ? -17.504 -3.857 -2.616 1.00 80.75 1 A 1 ATOM 5 C CB . MET A 1 1 ? -17.143 -6.271 -4.381 1.00 78.46 1 A 1 ATOM 6 C CG . MET A 1 1 ? -15.737 -6.800 -4.652 1.00 72.16 1 A 1 ATOM 7 S SD . MET A 1 1 ? -15.525 -7.173 -6.413 1.00 68.03 1 A 1 ATOM 8 C CE . MET A 1 1 ? -13.849 -7.821 -6.436 1.00 59.38 1 A 1 ATOM 9 N N . LYS A 1 2 ? -16.243 -4.991 -1.185 1.00 86.94 2 A 1 ATOM 10 C CA . LYS A 1 2 ? -15.787 -3.801 -0.446 1.00 89.68 2 A 1 ATOM 11 C C . LYS A 1 2 ? -14.610 -3.153 -1.188 1.00 89.88 2 A 1 ATOM 12 O O . LYS A 1 2 ? -13.450 -3.394 -0.862 1.00 87.28 2 A 1 ATOM 13 C CB . LYS A 1 2 ? -15.444 -4.159 1.011 1.00 84.93 2 A 1 ATOM 14 C CG . LYS A 1 2 ? -16.679 -4.503 1.857 1.00 75.54 2 A 1 ATOM 15 C CD . LYS A 1 2 ? -16.292 -4.712 3.327 1.00 74.04 2 A 1 ATOM 16 C CE . LYS A 1 2 ? -17.524 -5.030 4.169 1.00 68.44 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? -17.180 -5.202 5.607 1.00 61.10 2 A 1 ATOM 18 N N . ILE A 1 3 ? -14.916 -2.339 -2.181 1.00 87.26 3 A 1 ATOM 19 C CA . ILE A 1 3 ? -13.928 -1.658 -3.027 1.00 90.05 3 A 1 ATOM 20 C C . ILE A 1 3 ? -12.975 -0.801 -2.181 1.00 91.61 3 A 1 ATOM 21 O O . ILE A 1 3 ? -11.779 -0.739 -2.460 1.00 89.48 3 A 1 ATOM 22 C CB . ILE A 1 3 ? -14.655 -0.816 -4.096 1.00 87.50 3 A 1 ATOM 23 C CG1 . ILE A 1 3 ? -15.523 -1.722 -5.004 1.00 81.42 3 A 1 ATOM 24 C CG2 . ILE A 1 3 ? -13.648 -0.021 -4.947 1.00 79.03 3 A 1 ATOM 25 C CD1 . ILE A 1 3 ? -16.480 -0.948 -5.919 1.00 72.18 3 A 1 ATOM 26 N N . ALA A 1 4 ? -13.489 -0.190 -1.106 1.00 94.08 4 A 1 ATOM 27 C CA . ALA A 1 4 ? -12.680 0.615 -0.196 1.00 94.85 4 A 1 ATOM 28 C C . ALA A 1 4 ? -11.562 -0.203 0.468 1.00 95.58 4 A 1 ATOM 29 O O . ALA A 1 4 ? -10.424 0.259 0.538 1.00 94.19 4 A 1 ATOM 30 C CB . ALA A 1 4 ? -13.608 1.249 0.847 1.00 93.37 4 A 1 ATOM 31 N N . SER A 1 5 ? -11.858 -1.426 0.905 1.00 94.31 5 A 1 ATOM 32 C CA . SER A 1 5 ? -10.866 -2.311 1.524 1.00 94.67 5 A 1 ATOM 33 C C . SER A 1 5 ? -9.804 -2.761 0.521 1.00 95.54 5 A 1 ATOM 34 O O . SER A 1 5 ? -8.622 -2.780 0.851 1.00 94.97 5 A 1 ATOM 35 C CB . SER A 1 5 ? -11.546 -3.540 2.128 1.00 92.80 5 A 1 ATOM 36 O OG . SER A 1 5 ? -12.535 -3.152 3.066 1.00 79.75 5 A 1 ATOM 37 N N . LEU A 1 6 ? -10.213 -3.080 -0.710 1.00 95.33 6 A 1 ATOM 38 C CA . LEU A 1 6 ? -9.278 -3.462 -1.770 1.00 96.06 6 A 1 ATOM 39 C C . LEU A 1 6 ? -8.369 -2.292 -2.157 1.00 96.98 6 A 1 ATOM 40 O O . LEU A 1 6 ? -7.157 -2.460 -2.285 1.00 96.75 6 A 1 ATOM 41 C CB . LEU A 1 6 ? -10.078 -3.973 -2.978 1.00 95.68 6 A 1 ATOM 42 C CG . LEU A 1 6 ? -9.190 -4.497 -4.118 1.00 89.57 6 A 1 ATOM 43 C CD1 . LEU A 1 6 ? -8.409 -5.741 -3.707 1.00 85.15 6 A 1 ATOM 44 C CD2 . LEU A 1 6 ? -10.058 -4.836 -5.328 1.00 85.26 6 A 1 ATOM 45 N N . LYS A 1 7 ? -8.945 -1.102 -2.297 1.00 95.87 7 A 1 ATOM 46 C CA . LYS A 1 7 ? -8.196 0.115 -2.622 1.00 96.10 7 A 1 ATOM 47 C C . LYS A 1 7 ? -7.187 0.452 -1.525 1.00 96.71 7 A 1 ATOM 48 O O . LYS A 1 7 ? -6.038 0.771 -1.830 1.00 96.84 7 A 1 ATOM 49 C CB . LYS A 1 7 ? -9.186 1.260 -2.867 1.00 95.85 7 A 1 ATOM 50 C CG . LYS A 1 7 ? -8.485 2.505 -3.407 1.00 90.30 7 A 1 ATOM 51 C CD . LYS A 1 7 ? -9.499 3.587 -3.774 1.00 84.96 7 A 1 ATOM 52 C CE . LYS A 1 7 ? -8.777 4.811 -4.342 1.00 79.28 7 A 1 ATOM 53 N NZ . LYS A 1 7 ? -9.729 5.870 -4.762 1.00 69.95 7 A 1 ATOM 54 N N . LEU A 1 8 ? -7.592 0.328 -0.258 1.00 96.62 8 A 1 ATOM 55 C CA . LEU A 1 8 ? -6.704 0.547 0.880 1.00 96.77 8 A 1 ATOM 56 C C . LEU A 1 8 ? -5.563 -0.472 0.890 1.00 97.40 8 A 1 ATOM 57 O O . LEU A 1 8 ? -4.409 -0.091 1.069 1.00 97.42 8 A 1 ATOM 58 C CB . LEU A 1 8 ? -7.525 0.487 2.174 1.00 96.49 8 A 1 ATOM 59 C CG . LEU A 1 8 ? -6.703 0.797 3.437 1.00 88.68 8 A 1 ATOM 60 C CD1 . LEU A 1 8 ? -6.180 2.230 3.444 1.00 85.99 8 A 1 ATOM 61 C CD2 . LEU A 1 8 ? -7.567 0.579 4.676 1.00 87.36 8 A 1 ATOM 62 N N . LEU A 1 9 ? -5.869 -1.745 0.657 1.00 96.87 9 A 1 ATOM 63 C CA . LEU A 1 9 ? -4.863 -2.804 0.609 1.00 96.69 9 A 1 ATOM 64 C C . LEU A 1 9 ? -3.830 -2.553 -0.490 1.00 97.22 9 A 1 ATOM 65 O O . LEU A 1 9 ? -2.629 -2.695 -0.249 1.00 97.15 9 A 1 ATOM 66 C CB . LEU A 1 9 ? -5.571 -4.148 0.410 1.00 96.40 9 A 1 ATOM 67 C CG . LEU A 1 9 ? -4.617 -5.353 0.402 1.00 89.43 9 A 1 ATOM 68 C CD1 . LEU A 1 9 ? -3.921 -5.534 1.750 1.00 85.41 9 A 1 ATOM 69 C CD2 . LEU A 1 9 ? -5.401 -6.619 0.077 1.00 86.24 9 A 1 ATOM 70 N N . LEU A 1 10 ? -4.276 -2.142 -1.675 1.00 96.65 10 A 1 ATOM 71 C CA . LEU A 1 10 ? -3.381 -1.815 -2.786 1.00 96.67 10 A 1 ATOM 72 C C . LEU A 1 10 ? -2.478 -0.620 -2.455 1.00 97.14 10 A 1 ATOM 73 O O . LEU A 1 10 ? -1.274 -0.677 -2.702 1.00 97.27 10 A 1 ATOM 74 C CB . LEU A 1 10 ? -4.213 -1.527 -4.044 1.00 96.58 10 A 1 ATOM 75 C CG . LEU A 1 10 ? -4.849 -2.775 -4.674 1.00 89.53 10 A 1 ATOM 76 C CD1 . LEU A 1 10 ? -5.831 -2.348 -5.764 1.00 85.77 10 A 1 ATOM 77 C CD2 . LEU A 1 10 ? -3.800 -3.694 -5.298 1.00 87.51 10 A 1 ATOM 78 N N . LEU A 1 11 ? -3.034 0.428 -1.858 1.00 96.52 11 A 1 ATOM 79 C CA . LEU A 1 11 ? -2.266 1.607 -1.454 1.00 96.36 11 A 1 ATOM 80 C C . LEU A 1 11 ? -1.228 1.264 -0.382 1.00 96.77 11 A 1 ATOM 81 O O . LEU A 1 11 ? -0.075 1.676 -0.491 1.00 96.87 11 A 1 ATOM 82 C CB . LEU A 1 11 ? -3.221 2.693 -0.941 1.00 96.13 11 A 1 ATOM 83 C CG . LEU A 1 11 ? -4.016 3.408 -2.040 1.00 88.36 11 A 1 ATOM 84 C CD1 . LEU A 1 11 ? -5.087 4.290 -1.404 1.00 84.68 11 A 1 ATOM 85 C CD2 . LEU A 1 11 ? -3.118 4.291 -2.908 1.00 85.74 11 A 1 ATOM 86 N N . VAL A 1 12 ? -1.619 0.490 0.623 1.00 97.77 12 A 1 ATOM 87 C CA . VAL A 1 12 ? -0.715 0.054 1.695 1.00 97.62 12 A 1 ATOM 88 C C . VAL A 1 12 ? 0.390 -0.838 1.128 1.00 97.68 12 A 1 ATOM 89 O O . VAL A 1 12 ? 1.562 -0.627 1.436 1.00 97.16 12 A 1 ATOM 90 C CB . VAL A 1 12 ? -1.515 -0.649 2.807 1.00 97.09 12 A 1 ATOM 91 C CG1 . VAL A 1 12 ? -0.615 -1.335 3.830 1.00 94.53 12 A 1 ATOM 92 C CG2 . VAL A 1 12 ? -2.378 0.363 3.560 1.00 94.10 12 A 1 ATOM 93 N N . SER A 1 13 ? 0.051 -1.775 0.256 1.00 96.87 13 A 1 ATOM 94 C CA . SER A 1 13 ? 1.035 -2.653 -0.380 1.00 96.61 13 A 1 ATOM 95 C C . SER A 1 13 ? 2.032 -1.863 -1.229 1.00 96.76 13 A 1 ATOM 96 O O . SER A 1 13 ? 3.230 -2.124 -1.171 1.00 96.07 13 A 1 ATOM 97 C CB . SER A 1 13 ? 0.343 -3.697 -1.256 1.00 96.12 13 A 1 ATOM 98 O OG . SER A 1 13 ? -0.519 -4.501 -0.483 1.00 87.66 13 A 1 ATOM 99 N N . LEU A 1 14 ? 1.558 -0.877 -1.977 1.00 97.25 14 A 1 ATOM 100 C CA . LEU A 1 14 ? 2.418 -0.006 -2.777 1.00 96.81 14 A 1 ATOM 101 C C . LEU A 1 14 ? 3.336 0.835 -1.888 1.00 96.95 14 A 1 ATOM 102 O O . LEU A 1 14 ? 4.529 0.942 -2.161 1.00 96.46 14 A 1 ATOM 103 C CB . LEU A 1 14 ? 1.534 0.877 -3.665 1.00 96.49 14 A 1 ATOM 104 C CG . LEU A 1 14 ? 2.325 1.776 -4.628 1.00 89.31 14 A 1 ATOM 105 C CD1 . LEU A 1 14 ? 3.103 0.963 -5.654 1.00 85.04 14 A 1 ATOM 106 C CD2 . LEU A 1 14 ? 1.365 2.706 -5.363 1.00 87.07 14 A 1 ATOM 107 N N . LEU A 1 15 ? 2.799 1.391 -0.803 1.00 97.13 15 A 1 ATOM 108 C CA . LEU A 1 15 ? 3.575 2.175 0.154 1.00 96.84 15 A 1 ATOM 109 C C . LEU A 1 15 ? 4.667 1.322 0.806 1.00 96.85 15 A 1 ATOM 110 O O . LEU A 1 15 ? 5.813 1.757 0.902 1.00 96.56 15 A 1 ATOM 111 C CB . LEU A 1 15 ? 2.625 2.768 1.198 1.00 96.48 15 A 1 ATOM 112 C CG . LEU A 1 15 ? 3.299 3.786 2.126 1.00 91.23 15 A 1 ATOM 113 C CD1 . LEU A 1 15 ? 3.680 5.062 1.383 1.00 86.02 15 A 1 ATOM 114 C CD2 . LEU A 1 15 ? 2.350 4.151 3.265 1.00 87.68 15 A 1 ATOM 115 N N . PHE A 1 16 ? 4.334 0.093 1.218 1.00 97.16 16 A 1 ATOM 116 C CA . PHE A 1 16 ? 5.315 -0.840 1.758 1.00 96.56 16 A 1 ATOM 117 C C . PHE A 1 16 ? 6.376 -1.203 0.728 1.00 96.74 16 A 1 ATOM 118 O O . PHE A 1 16 ? 7.558 -1.218 1.066 1.00 96.07 16 A 1 ATOM 119 C CB . PHE A 1 16 ? 4.625 -2.100 2.286 1.00 95.99 16 A 1 ATOM 120 C CG . PHE A 1 16 ? 4.088 -1.948 3.692 1.00 92.96 16 A 1 ATOM 121 C CD1 . PHE A 1 16 ? 4.959 -1.635 4.744 1.00 87.96 16 A 1 ATOM 122 C CD2 . PHE A 1 16 ? 2.732 -2.160 3.965 1.00 88.75 16 A 1 ATOM 123 C CE1 . PHE A 1 16 ? 4.479 -1.510 6.052 1.00 86.84 16 A 1 ATOM 124 C CE2 . PHE A 1 16 ? 2.248 -2.037 5.273 1.00 87.73 16 A 1 ATOM 125 C CZ . PHE A 1 16 ? 3.120 -1.707 6.316 1.00 88.17 16 A 1 ATOM 126 N N . ALA A 1 17 ? 6.001 -1.438 -0.526 1.00 97.39 17 A 1 ATOM 127 C CA . ALA A 1 17 ? 6.960 -1.736 -1.586 1.00 97.03 17 A 1 ATOM 128 C C . ALA A 1 17 ? 7.947 -0.579 -1.798 1.00 97.12 17 A 1 ATOM 129 O O . ALA A 1 17 ? 9.152 -0.807 -1.875 1.00 95.97 17 A 1 ATOM 130 C CB . ALA A 1 17 ? 6.197 -2.063 -2.874 1.00 96.47 17 A 1 ATOM 131 N N . VAL A 1 18 ? 7.459 0.664 -1.825 1.00 97.32 18 A 1 ATOM 132 C CA . VAL A 1 18 ? 8.309 1.858 -1.944 1.00 96.75 18 A 1 ATOM 133 C C . VAL A 1 18 ? 9.206 2.010 -0.718 1.00 96.82 18 A 1 ATOM 134 O O . VAL A 1 18 ? 10.401 2.275 -0.855 1.00 95.78 18 A 1 ATOM 135 C CB . VAL A 1 18 ? 7.446 3.114 -2.163 1.00 95.80 18 A 1 ATOM 136 C CG1 . VAL A 1 18 ? 8.276 4.397 -2.139 1.00 91.73 18 A 1 ATOM 137 C CG2 . VAL A 1 18 ? 6.734 3.050 -3.513 1.00 91.20 18 A 1 ATOM 138 N N . THR A 1 19 ? 8.659 1.801 0.479 1.00 97.11 19 A 1 ATOM 139 C CA . THR A 1 19 ? 9.422 1.896 1.728 1.00 96.72 19 A 1 ATOM 140 C C . THR A 1 19 ? 10.519 0.830 1.785 1.00 96.60 19 A 1 ATOM 141 O O . THR A 1 19 ? 11.660 1.148 2.108 1.00 94.95 19 A 1 ATOM 142 C CB . THR A 1 19 ? 8.494 1.775 2.942 1.00 95.57 19 A 1 ATOM 143 O OG1 . THR A 1 19 ? 7.480 2.753 2.876 1.00 88.66 19 A 1 ATOM 144 C CG2 . THR A 1 19 ? 9.234 2.008 4.255 1.00 84.15 19 A 1 ATOM 145 N N . GLN A 1 20 ? 10.203 -0.408 1.422 1.00 97.29 20 A 1 ATOM 146 C CA . GLN A 1 20 ? 11.187 -1.493 1.371 1.00 96.92 20 A 1 ATOM 147 C C . GLN A 1 20 ? 12.273 -1.203 0.337 1.00 96.42 20 A 1 ATOM 148 O O . GLN A 1 20 ? 13.453 -1.397 0.609 1.00 93.74 20 A 1 ATOM 149 C CB . GLN A 1 20 ? 10.482 -2.818 1.053 1.00 95.88 20 A 1 ATOM 150 C CG . GLN A 1 20 ? 9.636 -3.333 2.227 1.00 90.36 20 A 1 ATOM 151 C CD . GLN A 1 20 ? 10.475 -3.778 3.423 1.00 84.51 20 A 1 ATOM 152 O OE1 . GLN A 1 20 ? 11.574 -4.277 3.286 1.00 77.88 20 A 1 ATOM 153 N NE2 . GLN A 1 20 ? 9.965 -3.633 4.620 1.00 75.33 20 A 1 ATOM 154 N N . ASN A 1 21 ? 11.899 -0.677 -0.820 1.00 95.15 21 A 1 ATOM 155 C CA . ASN A 1 21 ? 12.861 -0.330 -1.866 1.00 94.39 21 A 1 ATOM 156 C C . ASN A 1 21 ? 13.771 0.837 -1.458 1.00 94.13 21 A 1 ATOM 157 O O . ASN A 1 21 ? 14.916 0.908 -1.897 1.00 91.38 21 A 1 ATOM 158 C CB . ASN A 1 21 ? 12.073 -0.017 -3.147 1.00 92.27 21 A 1 ATOM 159 C CG . ASN A 1 21 ? 12.888 -0.213 -4.405 1.00 85.10 21 A 1 ATOM 160 O OD1 . ASN A 1 21 ? 13.963 -0.772 -4.417 1.00 76.50 21 A 1 ATOM 161 N ND2 . ASN A 1 21 ? 12.359 0.212 -5.532 1.00 76.37 21 A 1 ATOM 162 N N . GLY A 1 22 ? 13.286 1.738 -0.604 1.00 91.42 22 A 1 ATOM 163 C CA . GLY A 1 22 ? 14.076 2.856 -0.081 1.00 90.15 22 A 1 ATOM 164 C C . GLY A 1 22 ? 14.948 2.498 1.126 1.00 89.49 22 A 1 ATOM 165 O O . GLY A 1 22 ? 15.928 3.193 1.386 1.00 87.09 22 A 1 ATOM 166 N N . ILE A 1 23 ? 14.605 1.442 1.859 1.00 91.83 23 A 1 ATOM 167 C CA . ILE A 1 23 ? 15.343 0.989 3.053 1.00 90.57 23 A 1 ATOM 168 C C . ILE A 1 23 ? 16.295 -0.171 2.729 1.00 88.50 23 A 1 ATOM 169 O O . ILE A 1 23 ? 17.243 -0.417 3.473 1.00 85.25 23 A 1 ATOM 170 C CB . ILE A 1 23 ? 14.351 0.642 4.187 1.00 88.82 23 A 1 ATOM 171 C CG1 . ILE A 1 23 ? 13.569 1.901 4.618 1.00 83.65 23 A 1 ATOM 172 C CG2 . ILE A 1 23 ? 15.044 0.037 5.419 1.00 79.01 23 A 1 ATOM 173 C CD1 . ILE A 1 23 ? 12.409 1.626 5.580 1.00 72.77 23 A 1 ATOM 174 N N . SER A 1 24 ? 16.072 -0.876 1.619 1.00 85.93 24 A 1 ATOM 175 C CA . SER A 1 24 ? 16.928 -1.985 1.186 1.00 83.38 24 A 1 ATOM 176 C C . SER A 1 24 ? 18.333 -1.523 0.808 1.00 76.76 24 A 1 ATOM 177 O O . SER A 1 24 ? 18.467 -0.475 0.150 1.00 71.79 24 A 1 ATOM 178 C CB . SER A 1 24 ? 16.305 -2.734 0.010 1.00 76.25 24 A 1 ATOM 179 O OG . SER A 1 24 ? 15.097 -3.358 0.402 1.00 67.31 24 A 1 ATOM 180 O OXT . SER A 1 24 ? 19.292 -2.250 1.139 1.00 68.58 24 A 1 #