# 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_spkb09990 # _entry.id spkb09990 # 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" "C4 H7 N O4" 133.103 ASP y "ASPARTIC ACID" C([C@@H](C(=O)O)N)C(=O)O ? "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" "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" "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 ASP 2 1 n VAL 3 1 n SER 4 1 n ARG 5 1 n ARG 6 1 n GLN 7 1 n PHE 8 1 n PHE 9 1 n LYS 10 1 n ILE 11 1 n CYS 12 1 n ALA 13 1 n GLY 14 1 n GLY 15 1 n MET 16 1 n ALA 17 1 n GLY 18 1 n THR 19 1 n THR 20 1 n VAL 21 1 n ALA 22 1 n ALA 23 1 n LEU 24 1 n GLY 25 1 n PHE 26 1 n ALA 27 1 n PRO 28 1 n LYS 29 1 n GLN 30 1 n ALA 31 1 n LEU 32 1 n ALA 33 # _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 @ 2025-07-10 08:52:39)" _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 72.56 _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 59.91 1 1 A ASP 2 2 70.13 1 2 A VAL 3 2 76.80 1 3 A SER 4 2 82.06 1 4 A ARG 5 2 75.31 1 5 A ARG 6 2 76.31 1 6 A GLN 7 2 78.36 1 7 A PHE 8 2 77.81 1 8 A PHE 9 2 74.24 1 9 A LYS 10 2 77.15 1 10 A ILE 11 2 81.11 1 11 A CYS 12 2 81.05 1 12 A ALA 13 2 84.69 1 13 A GLY 14 2 84.32 1 14 A GLY 15 2 82.87 1 15 A MET 16 2 74.37 1 16 A ALA 17 2 83.36 1 17 A GLY 18 2 80.96 1 18 A THR 19 2 79.09 1 19 A THR 20 2 77.69 1 20 A VAL 21 2 76.25 1 21 A ALA 22 2 79.41 1 22 A ALA 23 2 79.86 1 23 A LEU 24 2 74.57 1 24 A GLY 25 2 74.81 1 25 A PHE 26 2 61.79 1 26 A ALA 27 2 66.61 1 27 A PRO 28 2 64.19 1 28 A LYS 29 2 59.73 1 29 A GLN 30 2 55.69 1 30 A ALA 31 2 59.55 1 31 A LEU 32 2 56.39 1 32 A ALA 33 2 53.62 1 33 # _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 ASP . 2 A 2 A 3 1 n VAL . 3 A 3 A 4 1 n SER . 4 A 4 A 5 1 n ARG . 5 A 5 A 6 1 n ARG . 6 A 6 A 7 1 n GLN . 7 A 7 A 8 1 n PHE . 8 A 8 A 9 1 n PHE . 9 A 9 A 10 1 n LYS . 10 A 10 A 11 1 n ILE . 11 A 11 A 12 1 n CYS . 12 A 12 A 13 1 n ALA . 13 A 13 A 14 1 n GLY . 14 A 14 A 15 1 n GLY . 15 A 15 A 16 1 n MET . 16 A 16 A 17 1 n ALA . 17 A 17 A 18 1 n GLY . 18 A 18 A 19 1 n THR . 19 A 19 A 20 1 n THR . 20 A 20 A 21 1 n VAL . 21 A 21 A 22 1 n ALA . 22 A 22 A 23 1 n ALA . 23 A 23 A 24 1 n LEU . 24 A 24 A 25 1 n GLY . 25 A 25 A 26 1 n PHE . 26 A 26 A 27 1 n ALA . 27 A 27 A 28 1 n PRO . 28 A 28 A 29 1 n LYS . 29 A 29 A 30 1 n GLN . 30 A 30 A 31 1 n ALA . 31 A 31 A 32 1 n LEU . 32 A 32 A 33 1 n ALA . 33 A 33 # _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 ? -25.944 2.921 -1.791 1.00 64.65 1 A 1 ATOM 2 C CA . MET A 1 1 ? -24.651 3.445 -1.299 1.00 67.20 1 A 1 ATOM 3 C C . MET A 1 1 ? -23.693 2.301 -0.919 1.00 69.77 1 A 1 ATOM 4 O O . MET A 1 1 ? -23.277 2.221 0.224 1.00 62.74 1 A 1 ATOM 5 C CB . MET A 1 1 ? -24.875 4.373 -0.087 1.00 60.93 1 A 1 ATOM 6 C CG . MET A 1 1 ? -25.509 5.725 -0.432 1.00 55.54 1 A 1 ATOM 7 S SD . MET A 1 1 ? -25.656 6.761 1.050 1.00 51.39 1 A 1 ATOM 8 C CE . MET A 1 1 ? -26.219 8.316 0.327 1.00 47.09 1 A 1 ATOM 9 N N . ASP A 1 2 ? -23.378 1.380 -1.840 1.00 73.75 2 A 1 ATOM 10 C CA . ASP A 1 2 ? -22.640 0.145 -1.489 1.00 77.75 2 A 1 ATOM 11 C C . ASP A 1 2 ? -21.297 -0.023 -2.225 1.00 80.50 2 A 1 ATOM 12 O O . ASP A 1 2 ? -20.353 -0.604 -1.704 1.00 77.74 2 A 1 ATOM 13 C CB . ASP A 1 2 ? -23.561 -1.063 -1.721 1.00 72.29 2 A 1 ATOM 14 C CG . ASP A 1 2 ? -23.252 -2.172 -0.716 1.00 62.13 2 A 1 ATOM 15 O OD1 . ASP A 1 2 ? -22.460 -3.078 -1.067 1.00 59.33 2 A 1 ATOM 16 O OD2 . ASP A 1 2 ? -23.780 -2.063 0.411 1.00 57.58 2 A 1 ATOM 17 N N . VAL A 1 3 ? -21.171 0.575 -3.419 1.00 79.59 3 A 1 ATOM 18 C CA . VAL A 1 3 ? -19.960 0.448 -4.260 1.00 81.04 3 A 1 ATOM 19 C C . VAL A 1 3 ? -18.769 1.226 -3.684 1.00 82.75 3 A 1 ATOM 20 O O . VAL A 1 3 ? -17.639 0.729 -3.688 1.00 78.97 3 A 1 ATOM 21 C CB . VAL A 1 3 ? -20.276 0.872 -5.707 1.00 77.70 3 A 1 ATOM 22 C CG1 . VAL A 1 3 ? -19.063 0.705 -6.625 1.00 68.03 3 A 1 ATOM 23 C CG2 . VAL A 1 3 ? -21.423 0.037 -6.285 1.00 69.55 3 A 1 ATOM 24 N N . SER A 1 4 ? -19.018 2.401 -3.098 1.00 83.81 4 A 1 ATOM 25 C CA . SER A 1 4 ? -17.963 3.253 -2.538 1.00 84.79 4 A 1 ATOM 26 C C . SER A 1 4 ? -17.268 2.628 -1.324 1.00 85.44 4 A 1 ATOM 27 O O . SER A 1 4 ? -16.060 2.805 -1.154 1.00 84.32 4 A 1 ATOM 28 C CB . SER A 1 4 ? -18.542 4.613 -2.140 1.00 83.02 4 A 1 ATOM 29 O OG . SER A 1 4 ? -19.178 5.218 -3.251 1.00 71.00 4 A 1 ATOM 30 N N . ARG A 1 5 ? -17.980 1.853 -0.488 1.00 85.07 5 A 1 ATOM 31 C CA . ARG A 1 5 ? -17.372 1.171 0.669 1.00 86.27 5 A 1 ATOM 32 C C . ARG A 1 5 ? -16.411 0.069 0.236 1.00 87.59 5 A 1 ATOM 33 O O . ARG A 1 5 ? -15.309 -0.010 0.766 1.00 86.40 5 A 1 ATOM 34 C CB . ARG A 1 5 ? -18.441 0.611 1.617 1.00 85.63 5 A 1 ATOM 35 C CG . ARG A 1 5 ? -19.114 1.716 2.442 1.00 78.35 5 A 1 ATOM 36 C CD . ARG A 1 5 ? -19.985 1.088 3.536 1.00 74.61 5 A 1 ATOM 37 N NE . ARG A 1 5 ? -20.683 2.103 4.348 1.00 67.51 5 A 1 ATOM 38 C CZ . ARG A 1 5 ? -21.404 1.869 5.432 1.00 63.77 5 A 1 ATOM 39 N NH1 . ARG A 1 5 ? -21.555 0.658 5.910 1.00 57.94 5 A 1 ATOM 40 N NH2 . ARG A 1 5 ? -21.994 2.848 6.060 1.00 55.28 5 A 1 ATOM 41 N N . ARG A 1 6 ? -16.773 -0.744 -0.775 1.00 87.76 6 A 1 ATOM 42 C CA . ARG A 1 6 ? -15.886 -1.806 -1.288 1.00 87.58 6 A 1 ATOM 43 C C . ARG A 1 6 ? -14.620 -1.238 -1.918 1.00 88.61 6 A 1 ATOM 44 O O . ARG A 1 6 ? -13.543 -1.788 -1.704 1.00 85.69 6 A 1 ATOM 45 C CB . ARG A 1 6 ? -16.621 -2.698 -2.288 1.00 86.58 6 A 1 ATOM 46 C CG . ARG A 1 6 ? -17.703 -3.542 -1.618 1.00 80.28 6 A 1 ATOM 47 C CD . ARG A 1 6 ? -18.258 -4.552 -2.615 1.00 75.39 6 A 1 ATOM 48 N NE . ARG A 1 6 ? -19.420 -5.269 -2.070 1.00 68.40 6 A 1 ATOM 49 C CZ . ARG A 1 6 ? -19.924 -6.410 -2.505 1.00 64.37 6 A 1 ATOM 50 N NH1 . ARG A 1 6 ? -19.383 -7.080 -3.496 1.00 58.93 6 A 1 ATOM 51 N NH2 . ARG A 1 6 ? -21.003 -6.892 -1.950 1.00 55.77 6 A 1 ATOM 52 N N . GLN A 1 7 ? -14.724 -0.130 -2.655 1.00 85.20 7 A 1 ATOM 53 C CA . GLN A 1 7 ? -13.556 0.553 -3.210 1.00 84.53 7 A 1 ATOM 54 C C . GLN A 1 7 ? -12.674 1.144 -2.110 1.00 85.52 7 A 1 ATOM 55 O O . GLN A 1 7 ? -11.459 0.958 -2.156 1.00 83.69 7 A 1 ATOM 56 C CB . GLN A 1 7 ? -13.983 1.636 -4.200 1.00 83.77 7 A 1 ATOM 57 C CG . GLN A 1 7 ? -14.387 1.025 -5.548 1.00 76.96 7 A 1 ATOM 58 C CD . GLN A 1 7 ? -14.660 2.102 -6.597 1.00 72.75 7 A 1 ATOM 59 O OE1 . GLN A 1 7 ? -15.035 3.223 -6.304 1.00 67.86 7 A 1 ATOM 60 N NE2 . GLN A 1 7 ? -14.480 1.808 -7.864 1.00 64.94 7 A 1 ATOM 61 N N . PHE A 1 8 ? -13.261 1.771 -1.080 1.00 83.35 8 A 1 ATOM 62 C CA . PHE A 1 8 ? -12.518 2.306 0.061 1.00 82.31 8 A 1 ATOM 63 C C . PHE A 1 8 ? -11.750 1.206 0.808 1.00 83.25 8 A 1 ATOM 64 O O . PHE A 1 8 ? -10.549 1.342 1.025 1.00 81.18 8 A 1 ATOM 65 C CB . PHE A 1 8 ? -13.484 3.041 0.987 1.00 81.90 8 A 1 ATOM 66 C CG . PHE A 1 8 ? -12.788 3.705 2.154 1.00 78.59 8 A 1 ATOM 67 C CD1 . PHE A 1 8 ? -12.740 3.078 3.412 1.00 75.30 8 A 1 ATOM 68 C CD2 . PHE A 1 8 ? -12.160 4.950 1.975 1.00 74.60 8 A 1 ATOM 69 C CE1 . PHE A 1 8 ? -12.074 3.695 4.480 1.00 72.68 8 A 1 ATOM 70 C CE2 . PHE A 1 8 ? -11.493 5.565 3.046 1.00 72.56 8 A 1 ATOM 71 C CZ . PHE A 1 8 ? -11.451 4.938 4.298 1.00 70.23 8 A 1 ATOM 72 N N . PHE A 1 9 ? -12.397 0.067 1.108 1.00 82.35 9 A 1 ATOM 73 C CA . PHE A 1 9 ? -11.723 -1.071 1.740 1.00 81.09 9 A 1 ATOM 74 C C . PHE A 1 9 ? -10.618 -1.661 0.860 1.00 81.71 9 A 1 ATOM 75 O O . PHE A 1 9 ? -9.560 -2.031 1.370 1.00 80.43 9 A 1 ATOM 76 C CB . PHE A 1 9 ? -12.750 -2.146 2.114 1.00 81.62 9 A 1 ATOM 77 C CG . PHE A 1 9 ? -13.360 -1.932 3.486 1.00 74.48 9 A 1 ATOM 78 C CD1 . PHE A 1 9 ? -12.614 -2.260 4.632 1.00 70.89 9 A 1 ATOM 79 C CD2 . PHE A 1 9 ? -14.653 -1.403 3.629 1.00 69.05 9 A 1 ATOM 80 C CE1 . PHE A 1 9 ? -13.155 -2.047 5.911 1.00 65.80 9 A 1 ATOM 81 C CE2 . PHE A 1 9 ? -15.195 -1.188 4.906 1.00 65.82 9 A 1 ATOM 82 C CZ . PHE A 1 9 ? -14.443 -1.511 6.050 1.00 63.40 9 A 1 ATOM 83 N N . LYS A 1 10 ? -10.811 -1.718 -0.470 1.00 82.34 10 A 1 ATOM 84 C CA . LYS A 1 10 ? -9.799 -2.211 -1.411 1.00 82.06 10 A 1 ATOM 85 C C . LYS A 1 10 ? -8.587 -1.274 -1.493 1.00 82.68 10 A 1 ATOM 86 O O . LYS A 1 10 ? -7.456 -1.753 -1.557 1.00 82.10 10 A 1 ATOM 87 C CB . LYS A 1 10 ? -10.467 -2.452 -2.772 1.00 82.21 10 A 1 ATOM 88 C CG . LYS A 1 10 ? -9.678 -3.438 -3.642 1.00 75.72 10 A 1 ATOM 89 C CD . LYS A 1 10 ? -10.482 -3.805 -4.900 1.00 75.11 10 A 1 ATOM 90 C CE . LYS A 1 10 ? -9.756 -4.905 -5.686 1.00 68.25 10 A 1 ATOM 91 N NZ . LYS A 1 10 ? -10.511 -5.312 -6.899 1.00 63.90 10 A 1 ATOM 92 N N . ILE A 1 11 ? -8.816 0.042 -1.434 1.00 83.52 11 A 1 ATOM 93 C CA . ILE A 1 11 ? -7.756 1.059 -1.392 1.00 82.45 11 A 1 ATOM 94 C C . ILE A 1 11 ? -7.020 1.011 -0.050 1.00 82.54 11 A 1 ATOM 95 O O . ILE A 1 11 ? -5.791 1.026 -0.040 1.00 79.26 11 A 1 ATOM 96 C CB . ILE A 1 11 ? -8.337 2.458 -1.691 1.00 83.06 11 A 1 ATOM 97 C CG1 . ILE A 1 11 ? -8.831 2.534 -3.158 1.00 81.87 11 A 1 ATOM 98 C CG2 . ILE A 1 11 ? -7.285 3.561 -1.449 1.00 80.66 11 A 1 ATOM 99 C CD1 . ILE A 1 11 ? -9.770 3.718 -3.421 1.00 75.51 11 A 1 ATOM 100 N N . CYS A 1 12 ? -7.728 0.884 1.074 1.00 84.34 12 A 1 ATOM 101 C CA . CYS A 1 12 ? -7.097 0.749 2.389 1.00 83.37 12 A 1 ATOM 102 C C . CYS A 1 12 ? -6.279 -0.544 2.512 1.00 83.33 12 A 1 ATOM 103 O O . CYS A 1 12 ? -5.141 -0.497 2.963 1.00 80.25 12 A 1 ATOM 104 C CB . CYS A 1 12 ? -8.166 0.822 3.488 1.00 81.21 12 A 1 ATOM 105 S SG . CYS A 1 12 ? -8.653 2.548 3.761 1.00 73.79 12 A 1 ATOM 106 N N . ALA A 1 13 ? -6.813 -1.694 2.062 1.00 85.59 13 A 1 ATOM 107 C CA . ALA A 1 13 ? -6.100 -2.971 2.108 1.00 85.74 13 A 1 ATOM 108 C C . ALA A 1 13 ? -4.886 -2.990 1.161 1.00 85.85 13 A 1 ATOM 109 O O . ALA A 1 13 ? -3.802 -3.418 1.556 1.00 82.20 13 A 1 ATOM 110 C CB . ALA A 1 13 ? -7.093 -4.098 1.789 1.00 84.09 13 A 1 ATOM 111 N N . GLY A 1 14 ? -5.041 -2.473 -0.064 1.00 85.61 14 A 1 ATOM 112 C CA . GLY A 1 14 ? -3.938 -2.350 -1.020 1.00 84.77 14 A 1 ATOM 113 C C . GLY A 1 14 ? -2.903 -1.301 -0.608 1.00 85.71 14 A 1 ATOM 114 O O . GLY A 1 14 ? -1.702 -1.529 -0.752 1.00 81.19 14 A 1 ATOM 115 N N . GLY A 1 15 ? -3.349 -0.181 -0.038 1.00 83.65 15 A 1 ATOM 116 C CA . GLY A 1 15 ? -2.487 0.880 0.479 1.00 82.91 15 A 1 ATOM 117 C C . GLY A 1 15 ? -1.663 0.430 1.681 1.00 84.00 15 A 1 ATOM 118 O O . GLY A 1 15 ? -0.466 0.695 1.727 1.00 80.91 15 A 1 ATOM 119 N N . MET A 1 16 ? -2.256 -0.325 2.609 1.00 80.86 16 A 1 ATOM 120 C CA . MET A 1 16 ? -1.548 -0.859 3.781 1.00 81.03 16 A 1 ATOM 121 C C . MET A 1 16 ? -0.494 -1.906 3.384 1.00 82.64 16 A 1 ATOM 122 O O . MET A 1 16 ? 0.618 -1.889 3.911 1.00 79.52 16 A 1 ATOM 123 C CB . MET A 1 16 ? -2.578 -1.417 4.773 1.00 77.91 16 A 1 ATOM 124 C CG . MET A 1 16 ? -1.984 -1.656 6.158 1.00 70.95 16 A 1 ATOM 125 S SD . MET A 1 16 ? -3.258 -2.037 7.390 1.00 63.97 16 A 1 ATOM 126 C CE . MET A 1 16 ? -2.210 -2.204 8.859 1.00 58.07 16 A 1 ATOM 127 N N . ALA A 1 17 ? -0.786 -2.763 2.392 1.00 83.30 17 A 1 ATOM 128 C CA . ALA A 1 17 ? 0.210 -3.672 1.831 1.00 84.22 17 A 1 ATOM 129 C C . ALA A 1 17 ? 1.344 -2.907 1.124 1.00 85.15 17 A 1 ATOM 130 O O . ALA A 1 17 ? 2.515 -3.211 1.333 1.00 81.34 17 A 1 ATOM 131 C CB . ALA A 1 17 ? -0.498 -4.653 0.891 1.00 82.77 17 A 1 ATOM 132 N N . GLY A 1 18 ? 1.012 -1.874 0.351 1.00 81.51 18 A 1 ATOM 133 C CA . GLY A 1 18 ? 1.992 -1.026 -0.328 1.00 80.59 18 A 1 ATOM 134 C C . GLY A 1 18 ? 2.889 -0.246 0.631 1.00 82.17 18 A 1 ATOM 135 O O . GLY A 1 18 ? 4.101 -0.196 0.422 1.00 79.57 18 A 1 ATOM 136 N N . THR A 1 19 ? 2.341 0.305 1.718 1.00 81.92 19 A 1 ATOM 137 C CA . THR A 1 19 ? 3.135 1.002 2.740 1.00 81.88 19 A 1 ATOM 138 C C . THR A 1 19 ? 4.022 0.047 3.532 1.00 82.84 19 A 1 ATOM 139 O O . THR A 1 19 ? 5.145 0.414 3.861 1.00 79.75 19 A 1 ATOM 140 C CB . THR A 1 19 ? 2.264 1.803 3.713 1.00 80.71 19 A 1 ATOM 141 O OG1 . THR A 1 19 ? 1.215 1.026 4.226 1.00 73.46 19 A 1 ATOM 142 C CG2 . THR A 1 19 ? 1.648 3.026 3.045 1.00 73.10 19 A 1 ATOM 143 N N . THR A 1 20 ? 3.581 -1.193 3.771 1.00 79.93 20 A 1 ATOM 144 C CA . THR A 1 20 ? 4.419 -2.212 4.423 1.00 79.71 20 A 1 ATOM 145 C C . THR A 1 20 ? 5.589 -2.623 3.524 1.00 80.24 20 A 1 ATOM 146 O O . THR A 1 20 ? 6.721 -2.702 3.990 1.00 78.71 20 A 1 ATOM 147 C CB . THR A 1 20 ? 3.588 -3.443 4.817 1.00 79.32 20 A 1 ATOM 148 O OG1 . THR A 1 20 ? 2.495 -3.055 5.618 1.00 73.36 20 A 1 ATOM 149 C CG2 . THR A 1 20 ? 4.389 -4.440 5.646 1.00 72.56 20 A 1 ATOM 150 N N . VAL A 1 21 ? 5.355 -2.813 2.222 1.00 78.08 21 A 1 ATOM 151 C CA . VAL A 1 21 ? 6.421 -3.101 1.245 1.00 78.10 21 A 1 ATOM 152 C C . VAL A 1 21 ? 7.360 -1.906 1.074 1.00 78.94 21 A 1 ATOM 153 O O . VAL A 1 21 ? 8.572 -2.094 1.005 1.00 76.12 21 A 1 ATOM 154 C CB . VAL A 1 21 ? 5.820 -3.541 -0.098 1.00 76.99 21 A 1 ATOM 155 C CG1 . VAL A 1 21 ? 6.879 -3.702 -1.198 1.00 71.54 21 A 1 ATOM 156 C CG2 . VAL A 1 21 ? 5.116 -4.896 0.044 1.00 73.99 21 A 1 ATOM 157 N N . ALA A 1 22 ? 6.828 -0.682 1.063 1.00 81.50 22 A 1 ATOM 158 C CA . ALA A 1 22 ? 7.651 0.524 1.017 1.00 79.63 22 A 1 ATOM 159 C C . ALA A 1 22 ? 8.498 0.685 2.291 1.00 79.58 22 A 1 ATOM 160 O O . ALA A 1 22 ? 9.677 1.006 2.188 1.00 77.41 22 A 1 ATOM 161 C CB . ALA A 1 22 ? 6.753 1.740 0.775 1.00 78.91 22 A 1 ATOM 162 N N . ALA A 1 23 ? 7.946 0.399 3.472 1.00 81.50 23 A 1 ATOM 163 C CA . ALA A 1 23 ? 8.691 0.431 4.733 1.00 80.16 23 A 1 ATOM 164 C C . ALA A 1 23 ? 9.774 -0.663 4.802 1.00 79.89 23 A 1 ATOM 165 O O . ALA A 1 23 ? 10.876 -0.400 5.276 1.00 78.07 23 A 1 ATOM 166 C CB . ALA A 1 23 ? 7.697 0.312 5.895 1.00 79.66 23 A 1 ATOM 167 N N . LEU A 1 24 ? 9.499 -1.862 4.272 1.00 81.04 24 A 1 ATOM 168 C CA . LEU A 1 24 ? 10.486 -2.948 4.175 1.00 78.97 24 A 1 ATOM 169 C C . LEU A 1 24 ? 11.536 -2.694 3.083 1.00 78.86 24 A 1 ATOM 170 O O . LEU A 1 24 ? 12.697 -3.057 3.254 1.00 74.44 24 A 1 ATOM 171 C CB . LEU A 1 24 ? 9.740 -4.270 3.918 1.00 78.27 24 A 1 ATOM 172 C CG . LEU A 1 24 ? 9.064 -4.852 5.173 1.00 71.65 24 A 1 ATOM 173 C CD1 . LEU A 1 24 ? 8.024 -5.897 4.776 1.00 67.27 24 A 1 ATOM 174 C CD2 . LEU A 1 24 ? 10.077 -5.529 6.089 1.00 66.08 24 A 1 ATOM 175 N N . GLY A 1 25 ? 11.143 -2.058 1.971 1.00 77.21 25 A 1 ATOM 176 C CA . GLY A 1 25 ? 12.058 -1.649 0.898 1.00 75.35 25 A 1 ATOM 177 C C . GLY A 1 25 ? 12.882 -0.403 1.230 1.00 74.23 25 A 1 ATOM 178 O O . GLY A 1 25 ? 13.959 -0.202 0.664 1.00 72.45 25 A 1 ATOM 179 N N . PHE A 1 26 ? 12.412 0.423 2.175 1.00 70.47 26 A 1 ATOM 180 C CA . PHE A 1 26 ? 13.108 1.582 2.725 1.00 67.90 26 A 1 ATOM 181 C C . PHE A 1 26 ? 13.797 1.238 4.055 1.00 67.73 26 A 1 ATOM 182 O O . PHE A 1 26 ? 13.846 2.037 4.982 1.00 64.81 26 A 1 ATOM 183 C CB . PHE A 1 26 ? 12.158 2.783 2.811 1.00 65.22 26 A 1 ATOM 184 C CG . PHE A 1 26 ? 12.848 4.125 2.735 1.00 61.80 26 A 1 ATOM 185 C CD1 . PHE A 1 26 ? 13.257 4.800 3.895 1.00 59.84 26 A 1 ATOM 186 C CD2 . PHE A 1 26 ? 13.073 4.711 1.477 1.00 58.74 26 A 1 ATOM 187 C CE1 . PHE A 1 26 ? 13.883 6.053 3.805 1.00 55.25 26 A 1 ATOM 188 C CE2 . PHE A 1 26 ? 13.696 5.963 1.383 1.00 54.14 26 A 1 ATOM 189 C CZ . PHE A 1 26 ? 14.097 6.638 2.547 1.00 53.81 26 A 1 ATOM 190 N N . ALA A 1 27 ? 14.339 0.031 4.162 1.00 69.18 27 A 1 ATOM 191 C CA . ALA A 1 27 ? 15.441 -0.175 5.093 1.00 67.61 27 A 1 ATOM 192 C C . ALA A 1 27 ? 16.663 0.513 4.464 1.00 67.24 27 A 1 ATOM 193 O O . ALA A 1 27 ? 17.188 0.006 3.466 1.00 64.56 27 A 1 ATOM 194 C CB . ALA A 1 27 ? 15.654 -1.679 5.321 1.00 64.44 27 A 1 ATOM 195 N N . PRO A 1 28 ? 17.088 1.689 4.958 1.00 66.58 28 A 1 ATOM 196 C CA . PRO A 1 28 ? 18.318 2.274 4.469 1.00 65.96 28 A 1 ATOM 197 C C . PRO A 1 28 ? 19.429 1.261 4.751 1.00 66.82 28 A 1 ATOM 198 O O . PRO A 1 28 ? 19.628 0.842 5.895 1.00 63.46 28 A 1 ATOM 199 C CB . PRO A 1 28 ? 18.485 3.596 5.233 1.00 63.02 28 A 1 ATOM 200 C CG . PRO A 1 28 ? 17.704 3.386 6.523 1.00 60.48 28 A 1 ATOM 201 C CD . PRO A 1 28 ? 16.590 2.423 6.111 1.00 63.04 28 A 1 ATOM 202 N N . LYS A 1 29 ? 20.155 0.868 3.696 1.00 62.52 29 A 1 ATOM 203 C CA . LYS A 1 29 ? 21.440 0.165 3.813 1.00 63.48 29 A 1 ATOM 204 C C . LYS A 1 29 ? 22.491 1.112 4.420 1.00 62.43 29 A 1 ATOM 205 O O . LYS A 1 29 ? 23.501 1.412 3.798 1.00 60.23 29 A 1 ATOM 206 C CB . LYS A 1 29 ? 21.894 -0.358 2.439 1.00 62.02 29 A 1 ATOM 207 C CG . LYS A 1 29 ? 21.173 -1.620 1.967 1.00 59.88 29 A 1 ATOM 208 C CD . LYS A 1 29 ? 21.845 -2.116 0.682 1.00 59.26 29 A 1 ATOM 209 C CE . LYS A 1 29 ? 21.280 -3.465 0.245 1.00 56.28 29 A 1 ATOM 210 N NZ . LYS A 1 29 ? 21.974 -3.965 -0.971 1.00 51.49 29 A 1 ATOM 211 N N . GLN A 1 30 ? 22.197 1.636 5.607 1.00 59.19 30 A 1 ATOM 212 C CA . GLN A 1 30 ? 23.101 2.448 6.415 1.00 60.24 30 A 1 ATOM 213 C C . GLN A 1 30 ? 22.931 2.068 7.886 1.00 60.46 30 A 1 ATOM 214 O O . GLN A 1 30 ? 22.603 2.882 8.735 1.00 58.11 30 A 1 ATOM 215 C CB . GLN A 1 30 ? 22.907 3.948 6.152 1.00 57.81 30 A 1 ATOM 216 C CG . GLN A 1 30 ? 23.475 4.385 4.797 1.00 54.38 30 A 1 ATOM 217 C CD . GLN A 1 30 ? 23.515 5.899 4.649 1.00 52.41 30 A 1 ATOM 218 O OE1 . GLN A 1 30 ? 22.749 6.641 5.240 1.00 50.29 30 A 1 ATOM 219 N NE2 . GLN A 1 30 ? 24.407 6.425 3.839 1.00 48.28 30 A 1 ATOM 220 N N . ALA A 1 31 ? 23.139 0.793 8.172 1.00 61.16 31 A 1 ATOM 221 C CA . ALA A 1 31 ? 23.502 0.310 9.500 1.00 60.54 31 A 1 ATOM 222 C C . ALA A 1 31 ? 24.771 -0.545 9.364 1.00 60.03 31 A 1 ATOM 223 O O . ALA A 1 31 ? 24.816 -1.689 9.786 1.00 57.29 31 A 1 ATOM 224 C CB . ALA A 1 31 ? 22.310 -0.411 10.142 1.00 58.75 31 A 1 ATOM 225 N N . LEU A 1 32 ? 25.770 -0.004 8.662 1.00 60.65 32 A 1 ATOM 226 C CA . LEU A 1 32 ? 27.126 -0.551 8.628 1.00 60.19 32 A 1 ATOM 227 C C . LEU A 1 32 ? 28.117 0.572 8.316 1.00 60.50 32 A 1 ATOM 228 O O . LEU A 1 32 ? 28.616 0.678 7.203 1.00 56.65 32 A 1 ATOM 229 C CB . LEU A 1 32 ? 27.224 -1.728 7.634 1.00 57.76 32 A 1 ATOM 230 C CG . LEU A 1 32 ? 28.415 -2.658 7.947 1.00 53.36 32 A 1 ATOM 231 C CD1 . LEU A 1 32 ? 28.071 -3.654 9.051 1.00 50.93 32 A 1 ATOM 232 C CD2 . LEU A 1 32 ? 28.819 -3.447 6.703 1.00 51.11 32 A 1 ATOM 233 N N . ALA A 1 33 ? 28.323 1.435 9.297 1.00 57.23 33 A 1 ATOM 234 C CA . ALA A 1 33 ? 29.489 2.304 9.438 1.00 58.13 33 A 1 ATOM 235 C C . ALA A 1 33 ? 29.546 2.766 10.894 1.00 55.38 33 A 1 ATOM 236 O O . ALA A 1 33 ? 28.523 3.294 11.378 1.00 50.52 33 A 1 ATOM 237 C CB . ALA A 1 33 ? 29.430 3.485 8.468 1.00 53.30 33 A 1 ATOM 238 O OXT . ALA A 1 33 ? 30.624 2.586 11.517 1.00 47.14 33 A 1 #