# 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_spkb15969 # _entry.id spkb15969 # 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 H10 N2 O3" 146.144 GLN y GLUTAMINE C(CC(=O)N)[C@@H](C(=O)O)N ? "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" "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" # _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 ARG 3 1 n ALA 4 1 n THR 5 1 n GLN 6 1 n PRO 7 1 n ARG 8 1 n PRO 9 1 n ARG 10 1 n ALA 11 1 n LEU 12 1 n LEU 13 1 n LEU 14 1 n LEU 15 1 n PHE 16 1 n LEU 17 1 n LEU 18 1 n LEU 19 1 n GLY 20 1 n CYS 21 1 n ALA 22 1 n ALA 23 1 n GLY 24 1 n ILE 25 1 n SER 26 1 n ALA 27 # _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 @ 2025-07-06 09:41:22)" _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 79.94 _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 72.66 1 1 A GLU 2 2 64.82 1 2 A ARG 3 2 65.58 1 3 A ALA 4 2 71.56 1 4 A THR 5 2 70.92 1 5 A GLN 6 2 68.34 1 6 A PRO 7 2 77.29 1 7 A ARG 8 2 71.91 1 8 A PRO 9 2 88.00 1 9 A ARG 10 2 79.64 1 10 A ALA 11 2 92.63 1 11 A LEU 12 2 86.52 1 12 A LEU 13 2 87.67 1 13 A LEU 14 2 87.97 1 14 A LEU 15 2 87.40 1 15 A PHE 16 2 86.31 1 16 A LEU 17 2 87.82 1 17 A LEU 18 2 89.21 1 18 A LEU 19 2 88.88 1 19 A GLY 20 2 92.78 1 20 A CYS 21 2 89.79 1 21 A ALA 22 2 92.26 1 22 A ALA 23 2 91.76 1 23 A GLY 24 2 86.91 1 24 A ILE 25 2 74.66 1 25 A SER 26 2 69.72 1 26 A ALA 27 2 59.96 1 27 # _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 ARG . 3 A 3 A 4 1 n ALA . 4 A 4 A 5 1 n THR . 5 A 5 A 6 1 n GLN . 6 A 6 A 7 1 n PRO . 7 A 7 A 8 1 n ARG . 8 A 8 A 9 1 n PRO . 9 A 9 A 10 1 n ARG . 10 A 10 A 11 1 n ALA . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n LEU . 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 LEU . 17 A 17 A 18 1 n LEU . 18 A 18 A 19 1 n LEU . 19 A 19 A 20 1 n GLY . 20 A 20 A 21 1 n CYS . 21 A 21 A 22 1 n ALA . 22 A 22 A 23 1 n ALA . 23 A 23 A 24 1 n GLY . 24 A 24 A 25 1 n ILE . 25 A 25 A 26 1 n SER . 26 A 26 A 27 1 n ALA . 27 A 27 # _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 ? -23.915 -0.270 4.143 1.00 78.97 1 A 1 ATOM 2 C CA . MET A 1 1 ? -22.916 0.766 3.821 1.00 79.89 1 A 1 ATOM 3 C C . MET A 1 1 ? -21.536 0.135 3.920 1.00 81.04 1 A 1 ATOM 4 O O . MET A 1 1 ? -20.959 0.106 4.998 1.00 75.38 1 A 1 ATOM 5 C CB . MET A 1 1 ? -23.023 1.967 4.776 1.00 75.01 1 A 1 ATOM 6 C CG . MET A 1 1 ? -24.101 2.972 4.351 1.00 69.66 1 A 1 ATOM 7 S SD . MET A 1 1 ? -24.297 4.307 5.573 1.00 64.60 1 A 1 ATOM 8 C CE . MET A 1 1 ? -25.221 5.517 4.603 1.00 56.74 1 A 1 ATOM 9 N N . GLU A 1 2 ? -21.047 -0.456 2.837 1.00 71.41 2 A 1 ATOM 10 C CA . GLU A 1 2 ? -19.664 -0.909 2.769 1.00 70.96 2 A 1 ATOM 11 C C . GLU A 1 2 ? -18.781 0.335 2.737 1.00 72.06 2 A 1 ATOM 12 O O . GLU A 1 2 ? -18.757 1.085 1.763 1.00 71.14 2 A 1 ATOM 13 C CB . GLU A 1 2 ? -19.449 -1.789 1.534 1.00 68.75 2 A 1 ATOM 14 C CG . GLU A 1 2 ? -19.973 -3.210 1.773 1.00 62.25 2 A 1 ATOM 15 C CD . GLU A 1 2 ? -19.875 -4.022 0.493 1.00 58.05 2 A 1 ATOM 16 O OE1 . GLU A 1 2 ? -18.809 -4.635 0.283 1.00 53.74 2 A 1 ATOM 17 O OE2 . GLU A 1 2 ? -20.854 -3.981 -0.271 1.00 55.06 2 A 1 ATOM 18 N N . ARG A 1 3 ? -18.086 0.599 3.844 1.00 75.17 3 A 1 ATOM 19 C CA . ARG A 1 3 ? -16.952 1.512 3.821 1.00 76.04 3 A 1 ATOM 20 C C . ARG A 1 3 ? -15.917 0.859 2.919 1.00 77.73 3 A 1 ATOM 21 O O . ARG A 1 3 ? -15.133 0.039 3.387 1.00 73.25 3 A 1 ATOM 22 C CB . ARG A 1 3 ? -16.392 1.757 5.232 1.00 72.45 3 A 1 ATOM 23 C CG . ARG A 1 3 ? -17.093 2.914 5.959 1.00 64.50 3 A 1 ATOM 24 C CD . ARG A 1 3 ? -16.430 3.123 7.322 1.00 62.92 3 A 1 ATOM 25 N NE . ARG A 1 3 ? -16.968 4.301 8.028 1.00 59.68 3 A 1 ATOM 26 C CZ . ARG A 1 3 ? -16.688 4.656 9.279 1.00 55.29 3 A 1 ATOM 27 N NH1 . ARG A 1 3 ? -15.888 3.954 10.033 1.00 53.25 3 A 1 ATOM 28 N NH2 . ARG A 1 3 ? -17.218 5.735 9.794 1.00 51.10 3 A 1 ATOM 29 N N . ALA A 1 4 ? -15.925 1.217 1.644 1.00 73.97 4 A 1 ATOM 30 C CA . ALA A 1 4 ? -14.778 1.022 0.783 1.00 72.61 4 A 1 ATOM 31 C C . ALA A 1 4 ? -13.575 1.580 1.540 1.00 73.44 4 A 1 ATOM 32 O O . ALA A 1 4 ? -13.465 2.788 1.759 1.00 69.45 4 A 1 ATOM 33 C CB . ALA A 1 4 ? -15.021 1.732 -0.550 1.00 68.32 4 A 1 ATOM 34 N N . THR A 1 5 ? -12.751 0.679 2.060 1.00 76.36 5 A 1 ATOM 35 C CA . THR A 1 5 ? -11.549 1.019 2.814 1.00 75.48 5 A 1 ATOM 36 C C . THR A 1 5 ? -10.578 1.581 1.796 1.00 76.68 5 A 1 ATOM 37 O O . THR A 1 5 ? -9.714 0.878 1.286 1.00 72.55 5 A 1 ATOM 38 C CB . THR A 1 5 ? -10.981 -0.207 3.551 1.00 72.13 5 A 1 ATOM 39 O OG1 . THR A 1 5 ? -12.006 -0.855 4.268 1.00 62.17 5 A 1 ATOM 40 C CG2 . THR A 1 5 ? -9.914 0.192 4.565 1.00 61.09 5 A 1 ATOM 41 N N . GLN A 1 6 ? -10.792 2.829 1.424 1.00 77.23 6 A 1 ATOM 42 C CA . GLN A 1 6 ? -9.906 3.553 0.531 1.00 76.67 6 A 1 ATOM 43 C C . GLN A 1 6 ? -8.521 3.478 1.172 1.00 78.34 6 A 1 ATOM 44 O O . GLN A 1 6 ? -8.364 3.943 2.309 1.00 74.67 6 A 1 ATOM 45 C CB . GLN A 1 6 ? -10.431 4.982 0.363 1.00 72.41 6 A 1 ATOM 46 C CG . GLN A 1 6 ? -9.837 5.676 -0.866 1.00 63.53 6 A 1 ATOM 47 C CD . GLN A 1 6 ? -10.442 7.059 -1.083 1.00 59.78 6 A 1 ATOM 48 O OE1 . GLN A 1 6 ? -11.052 7.641 -0.198 1.00 58.69 6 A 1 ATOM 49 N NE2 . GLN A 1 6 ? -10.295 7.639 -2.253 1.00 53.78 6 A 1 ATOM 50 N N . PRO A 1 7 ? -7.553 2.802 0.533 1.00 79.30 7 A 1 ATOM 51 C CA . PRO A 1 7 ? -6.233 2.646 1.102 1.00 79.59 7 A 1 ATOM 52 C C . PRO A 1 7 ? -5.703 4.051 1.371 1.00 83.19 7 A 1 ATOM 53 O O . PRO A 1 7 ? -5.553 4.863 0.459 1.00 77.77 7 A 1 ATOM 54 C CB . PRO A 1 7 ? -5.416 1.848 0.073 1.00 76.25 7 A 1 ATOM 55 C CG . PRO A 1 7 ? -6.165 2.046 -1.243 1.00 71.21 7 A 1 ATOM 56 C CD . PRO A 1 7 ? -7.610 2.232 -0.802 1.00 73.71 7 A 1 ATOM 57 N N . ARG A 1 8 ? -5.517 4.367 2.657 1.00 82.34 8 A 1 ATOM 58 C CA . ARG A 1 8 ? -5.028 5.687 3.041 1.00 84.20 8 A 1 ATOM 59 C C . ARG A 1 8 ? -3.718 5.913 2.288 1.00 88.05 8 A 1 ATOM 60 O O . ARG A 1 8 ? -2.866 5.023 2.330 1.00 85.72 8 A 1 ATOM 61 C CB . ARG A 1 8 ? -4.829 5.786 4.559 1.00 80.33 8 A 1 ATOM 62 C CG . ARG A 1 8 ? -6.165 5.815 5.318 1.00 70.53 8 A 1 ATOM 63 C CD . ARG A 1 8 ? -5.909 6.000 6.814 1.00 68.64 8 A 1 ATOM 64 N NE . ARG A 1 8 ? -7.170 6.045 7.577 1.00 63.37 8 A 1 ATOM 65 C CZ . ARG A 1 8 ? -7.276 6.103 8.900 1.00 58.95 8 A 1 ATOM 66 N NH1 . ARG A 1 8 ? -6.226 6.122 9.676 1.00 55.08 8 A 1 ATOM 67 N NH2 . ARG A 1 8 ? -8.453 6.137 9.465 1.00 53.78 8 A 1 ATOM 68 N N . PRO A 1 9 ? -3.509 7.068 1.639 1.00 87.97 9 A 1 ATOM 69 C CA . PRO A 1 9 ? -2.290 7.323 0.869 1.00 90.37 9 A 1 ATOM 70 C C . PRO A 1 9 ? -1.027 7.097 1.707 1.00 92.38 9 A 1 ATOM 71 O O . PRO A 1 9 ? -0.019 6.620 1.203 1.00 89.80 9 A 1 ATOM 72 C CB . PRO A 1 9 ? -2.427 8.766 0.362 1.00 87.65 9 A 1 ATOM 73 C CG . PRO A 1 9 ? -3.497 9.398 1.252 1.00 82.89 9 A 1 ATOM 74 C CD . PRO A 1 9 ? -4.389 8.218 1.619 1.00 84.97 9 A 1 ATOM 75 N N . ARG A 1 10 ? -1.130 7.299 3.026 1.00 89.91 10 A 1 ATOM 76 C CA . ARG A 1 10 ? -0.065 6.971 3.987 1.00 90.77 10 A 1 ATOM 77 C C . ARG A 1 10 ? 0.255 5.473 4.052 1.00 92.72 10 A 1 ATOM 78 O O . ARG A 1 10 ? 1.419 5.125 4.197 1.00 91.26 10 A 1 ATOM 79 C CB . ARG A 1 10 ? -0.450 7.472 5.382 1.00 89.04 10 A 1 ATOM 80 C CG . ARG A 1 10 ? -0.541 9.000 5.441 1.00 81.50 10 A 1 ATOM 81 C CD . ARG A 1 10 ? -0.845 9.450 6.869 1.00 77.11 10 A 1 ATOM 82 N NE . ARG A 1 10 ? -0.920 10.917 6.961 1.00 71.46 10 A 1 ATOM 83 C CZ . ARG A 1 10 ? -1.311 11.616 8.022 1.00 68.82 10 A 1 ATOM 84 N NH1 . ARG A 1 10 ? -1.704 11.035 9.122 1.00 62.32 10 A 1 ATOM 85 N NH2 . ARG A 1 10 ? -1.305 12.922 7.984 1.00 61.15 10 A 1 ATOM 86 N N . ALA A 1 11 ? -0.735 4.590 3.951 1.00 92.07 11 A 1 ATOM 87 C CA . ALA A 1 11 ? -0.505 3.146 3.949 1.00 92.74 11 A 1 ATOM 88 C C . ALA A 1 11 ? 0.207 2.704 2.664 1.00 94.10 11 A 1 ATOM 89 O O . ALA A 1 11 ? 1.078 1.845 2.716 1.00 92.67 11 A 1 ATOM 90 C CB . ALA A 1 11 ? -1.841 2.416 4.128 1.00 91.55 11 A 1 ATOM 91 N N . LEU A 1 12 ? -0.114 3.333 1.530 1.00 91.19 12 A 1 ATOM 92 C CA . LEU A 1 12 ? 0.540 3.084 0.249 1.00 90.90 12 A 1 ATOM 93 C C . LEU A 1 12 ? 2.002 3.558 0.271 1.00 92.31 12 A 1 ATOM 94 O O . LEU A 1 12 ? 2.883 2.836 -0.187 1.00 91.60 12 A 1 ATOM 95 C CB . LEU A 1 12 ? -0.311 3.746 -0.844 1.00 90.34 12 A 1 ATOM 96 C CG . LEU A 1 12 ? -0.289 2.982 -2.170 1.00 81.62 12 A 1 ATOM 97 C CD1 . LEU A 1 12 ? -1.615 3.167 -2.900 1.00 77.01 12 A 1 ATOM 98 C CD2 . LEU A 1 12 ? 0.835 3.469 -3.077 1.00 77.15 12 A 1 ATOM 99 N N . LEU A 1 13 ? 2.281 4.696 0.891 1.00 91.11 13 A 1 ATOM 100 C CA . LEU A 1 13 ? 3.647 5.183 1.117 1.00 90.97 13 A 1 ATOM 101 C C . LEU A 1 13 ? 4.455 4.250 2.024 1.00 92.49 13 A 1 ATOM 102 O O . LEU A 1 13 ? 5.606 3.954 1.717 1.00 92.58 13 A 1 ATOM 103 C CB . LEU A 1 13 ? 3.599 6.589 1.733 1.00 90.86 13 A 1 ATOM 104 C CG . LEU A 1 13 ? 3.207 7.696 0.749 1.00 83.32 13 A 1 ATOM 105 C CD1 . LEU A 1 13 ? 2.940 8.988 1.519 1.00 79.75 13 A 1 ATOM 106 C CD2 . LEU A 1 13 ? 4.313 7.960 -0.274 1.00 80.28 13 A 1 ATOM 107 N N . LEU A 1 14 ? 3.859 3.743 3.103 1.00 91.32 14 A 1 ATOM 108 C CA . LEU A 1 14 ? 4.516 2.769 3.976 1.00 91.19 14 A 1 ATOM 109 C C . LEU A 1 14 ? 4.816 1.464 3.242 1.00 92.16 14 A 1 ATOM 110 O O . LEU A 1 14 ? 5.910 0.925 3.388 1.00 92.40 14 A 1 ATOM 111 C CB . LEU A 1 14 ? 3.630 2.490 5.198 1.00 91.35 14 A 1 ATOM 112 C CG . LEU A 1 14 ? 3.660 3.604 6.254 1.00 83.32 14 A 1 ATOM 113 C CD1 . LEU A 1 14 ? 2.554 3.360 7.282 1.00 80.80 14 A 1 ATOM 114 C CD2 . LEU A 1 14 ? 5.001 3.654 6.989 1.00 81.23 14 A 1 ATOM 115 N N . LEU A 1 15 ? 3.876 0.981 2.429 1.00 90.98 15 A 1 ATOM 116 C CA . LEU A 1 15 ? 4.089 -0.205 1.609 1.00 90.34 15 A 1 ATOM 117 C C . LEU A 1 15 ? 5.225 0.014 0.608 1.00 91.25 15 A 1 ATOM 118 O O . LEU A 1 15 ? 6.080 -0.853 0.458 1.00 91.18 15 A 1 ATOM 119 C CB . LEU A 1 15 ? 2.776 -0.558 0.904 1.00 90.18 15 A 1 ATOM 120 C CG . LEU A 1 15 ? 2.850 -1.875 0.114 1.00 84.23 15 A 1 ATOM 121 C CD1 . LEU A 1 15 ? 2.992 -3.087 1.038 1.00 80.70 15 A 1 ATOM 122 C CD2 . LEU A 1 15 ? 1.579 -2.039 -0.716 1.00 80.36 15 A 1 ATOM 123 N N . PHE A 1 16 ? 5.265 1.174 -0.052 1.00 90.92 16 A 1 ATOM 124 C CA . PHE A 1 16 ? 6.328 1.543 -0.983 1.00 90.21 16 A 1 ATOM 125 C C . PHE A 1 16 ? 7.692 1.628 -0.289 1.00 90.96 16 A 1 ATOM 126 O O . PHE A 1 16 ? 8.676 1.115 -0.819 1.00 90.47 16 A 1 ATOM 127 C CB . PHE A 1 16 ? 5.969 2.872 -1.648 1.00 89.98 16 A 1 ATOM 128 C CG . PHE A 1 16 ? 6.927 3.252 -2.750 1.00 86.79 16 A 1 ATOM 129 C CD1 . PHE A 1 16 ? 8.002 4.122 -2.495 1.00 83.03 16 A 1 ATOM 130 C CD2 . PHE A 1 16 ? 6.769 2.700 -4.031 1.00 82.72 16 A 1 ATOM 131 C CE1 . PHE A 1 16 ? 8.910 4.441 -3.516 1.00 80.99 16 A 1 ATOM 132 C CE2 . PHE A 1 16 ? 7.678 3.020 -5.049 1.00 81.08 16 A 1 ATOM 133 C CZ . PHE A 1 16 ? 8.750 3.886 -4.795 1.00 82.30 16 A 1 ATOM 134 N N . LEU A 1 17 ? 7.742 2.190 0.919 1.00 90.89 17 A 1 ATOM 135 C CA . LEU A 1 17 ? 8.966 2.256 1.716 1.00 90.35 17 A 1 ATOM 136 C C . LEU A 1 17 ? 9.462 0.861 2.105 1.00 91.02 17 A 1 ATOM 137 O O . LEU A 1 17 ? 10.651 0.576 1.990 1.00 90.42 17 A 1 ATOM 138 C CB . LEU A 1 17 ? 8.693 3.120 2.956 1.00 90.09 17 A 1 ATOM 139 C CG . LEU A 1 17 ? 9.959 3.446 3.765 1.00 85.64 17 A 1 ATOM 140 C CD1 . LEU A 1 17 ? 10.842 4.462 3.041 1.00 82.10 17 A 1 ATOM 141 C CD2 . LEU A 1 17 ? 9.565 4.022 5.122 1.00 82.06 17 A 1 ATOM 142 N N . LEU A 1 18 ? 8.553 -0.028 2.526 1.00 92.30 18 A 1 ATOM 143 C CA . LEU A 1 18 ? 8.883 -1.411 2.857 1.00 91.78 18 A 1 ATOM 144 C C . LEU A 1 18 ? 9.388 -2.177 1.632 1.00 91.99 18 A 1 ATOM 145 O O . LEU A 1 18 ? 10.402 -2.867 1.728 1.00 91.12 18 A 1 ATOM 146 C CB . LEU A 1 18 ? 7.649 -2.101 3.461 1.00 91.28 18 A 1 ATOM 147 C CG . LEU A 1 18 ? 7.311 -1.653 4.893 1.00 87.11 18 A 1 ATOM 148 C CD1 . LEU A 1 18 ? 5.928 -2.183 5.282 1.00 84.27 18 A 1 ATOM 149 C CD2 . LEU A 1 18 ? 8.329 -2.168 5.909 1.00 83.82 18 A 1 ATOM 150 N N . LEU A 1 19 ? 8.727 -2.030 0.476 1.00 93.25 19 A 1 ATOM 151 C CA . LEU A 1 19 ? 9.174 -2.632 -0.779 1.00 92.60 19 A 1 ATOM 152 C C . LEU A 1 19 ? 10.534 -2.079 -1.215 1.00 92.87 19 A 1 ATOM 153 O O . LEU A 1 19 ? 11.397 -2.852 -1.616 1.00 91.44 19 A 1 ATOM 154 C CB . LEU A 1 19 ? 8.140 -2.394 -1.892 1.00 91.48 19 A 1 ATOM 155 C CG . LEU A 1 19 ? 7.404 -3.679 -2.305 1.00 85.95 19 A 1 ATOM 156 C CD1 . LEU A 1 19 ? 6.206 -3.951 -1.399 1.00 82.31 19 A 1 ATOM 157 C CD2 . LEU A 1 19 ? 6.914 -3.558 -3.747 1.00 81.11 19 A 1 ATOM 158 N N . GLY A 1 20 ? 10.731 -0.771 -1.115 1.00 93.41 20 A 1 ATOM 159 C CA . GLY A 1 20 ? 11.996 -0.116 -1.443 1.00 92.69 20 A 1 ATOM 160 C C . GLY A 1 20 ? 13.136 -0.616 -0.558 1.00 93.46 20 A 1 ATOM 161 O O . GLY A 1 20 ? 14.189 -0.993 -1.066 1.00 91.55 20 A 1 ATOM 162 N N . CYS A 1 21 ? 12.895 -0.733 0.751 1.00 92.88 21 A 1 ATOM 163 C CA . CYS A 1 21 ? 13.873 -1.272 1.697 1.00 92.45 21 A 1 ATOM 164 C C . CYS A 1 21 ? 14.189 -2.745 1.404 1.00 92.50 21 A 1 ATOM 165 O O . CYS A 1 21 ? 15.352 -3.137 1.398 1.00 89.02 21 A 1 ATOM 166 C CB . CYS A 1 21 ? 13.330 -1.066 3.119 1.00 90.05 21 A 1 ATOM 167 S SG . CYS A 1 21 ? 14.658 -1.261 4.327 1.00 81.82 21 A 1 ATOM 168 N N . ALA A 1 22 ? 13.169 -3.557 1.090 1.00 93.73 22 A 1 ATOM 169 C CA . ALA A 1 22 ? 13.360 -4.957 0.710 1.00 93.10 22 A 1 ATOM 170 C C . ALA A 1 22 ? 14.108 -5.110 -0.627 1.00 93.28 22 A 1 ATOM 171 O O . ALA A 1 22 ? 14.873 -6.056 -0.793 1.00 89.81 22 A 1 ATOM 172 C CB . ALA A 1 22 ? 11.988 -5.640 0.660 1.00 91.40 22 A 1 ATOM 173 N N . ALA A 1 23 ? 13.913 -4.183 -1.566 1.00 93.89 23 A 1 ATOM 174 C CA . ALA A 1 23 ? 14.612 -4.152 -2.851 1.00 93.05 23 A 1 ATOM 175 C C . ALA A 1 23 ? 16.021 -3.525 -2.772 1.00 92.80 23 A 1 ATOM 176 O O . ALA A 1 23 ? 16.693 -3.406 -3.797 1.00 87.77 23 A 1 ATOM 177 C CB . ALA A 1 23 ? 13.716 -3.436 -3.867 1.00 91.27 23 A 1 ATOM 178 N N . GLY A 1 24 ? 16.479 -3.129 -1.579 1.00 90.32 24 A 1 ATOM 179 C CA . GLY A 1 24 ? 17.777 -2.466 -1.388 1.00 87.88 24 A 1 ATOM 180 C C . GLY A 1 24 ? 17.809 -1.015 -1.869 1.00 87.00 24 A 1 ATOM 181 O O . GLY A 1 24 ? 18.883 -0.420 -1.951 1.00 82.45 24 A 1 ATOM 182 N N . ILE A 1 25 ? 16.639 -0.443 -2.176 1.00 81.21 25 A 1 ATOM 183 C CA . ILE A 1 25 ? 16.516 0.969 -2.533 1.00 78.78 25 A 1 ATOM 184 C C . ILE A 1 25 ? 16.450 1.759 -1.231 1.00 78.36 25 A 1 ATOM 185 O O . ILE A 1 25 ? 15.376 1.997 -0.689 1.00 73.13 25 A 1 ATOM 186 C CB . ILE A 1 25 ? 15.308 1.210 -3.460 1.00 76.41 25 A 1 ATOM 187 C CG1 . ILE A 1 25 ? 15.375 0.302 -4.711 1.00 73.90 25 A 1 ATOM 188 C CG2 . ILE A 1 25 ? 15.262 2.690 -3.872 1.00 71.73 25 A 1 ATOM 189 C CD1 . ILE A 1 25 ? 14.112 0.352 -5.575 1.00 63.74 25 A 1 ATOM 190 N N . SER A 1 26 ? 17.597 2.127 -0.686 1.00 75.53 26 A 1 ATOM 191 C CA . SER A 1 26 ? 17.657 3.071 0.429 1.00 73.04 26 A 1 ATOM 192 C C . SER A 1 26 ? 17.288 4.463 -0.080 1.00 71.26 26 A 1 ATOM 193 O O . SER A 1 26 ? 17.908 4.957 -1.022 1.00 66.46 26 A 1 ATOM 194 C CB . SER A 1 26 ? 19.037 3.068 1.092 1.00 70.13 26 A 1 ATOM 195 O OG . SER A 1 26 ? 20.052 3.456 0.194 1.00 61.91 26 A 1 ATOM 196 N N . ALA A 1 27 ? 16.277 5.083 0.540 1.00 68.51 27 A 1 ATOM 197 C CA . ALA A 1 27 ? 15.983 6.501 0.375 1.00 64.15 27 A 1 ATOM 198 C C . ALA A 1 27 ? 17.032 7.360 1.088 1.00 60.28 27 A 1 ATOM 199 O O . ALA A 1 27 ? 17.588 6.895 2.107 1.00 56.04 27 A 1 ATOM 200 C CB . ALA A 1 27 ? 14.569 6.777 0.886 1.00 57.87 27 A 1 ATOM 201 O OXT . ALA A 1 27 ? 17.241 8.521 0.614 1.00 52.92 27 A 1 #