# 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_spkb33277 # _entry.id spkb33277 # 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" "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" # _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 GLN 2 1 n ARG 3 1 n PHE 4 1 n LEU 5 1 n LEU 6 1 n PRO 7 1 n LEU 8 1 n LEU 9 1 n PHE 10 1 n LEU 11 1 n ALA 12 1 n LEU 13 1 n SER 14 1 n PRO 15 1 n PRO 16 1 n ALA 17 1 n ILE 18 1 n CYS 19 # _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 @ 2025-07-12 16:13:48)" _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 87.02 _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 82.20 1 1 A GLN 2 2 80.81 1 2 A ARG 3 2 77.97 1 3 A PHE 4 2 85.77 1 4 A LEU 5 2 90.40 1 5 A LEU 6 2 89.57 1 6 A PRO 7 2 91.79 1 7 A LEU 8 2 89.91 1 8 A LEU 9 2 90.72 1 9 A PHE 10 2 90.12 1 10 A LEU 11 2 89.90 1 11 A ALA 12 2 95.19 1 12 A LEU 13 2 89.93 1 13 A SER 14 2 89.95 1 14 A PRO 15 2 89.57 1 15 A PRO 16 2 88.98 1 16 A ALA 17 2 88.50 1 17 A ILE 18 2 81.22 1 18 A CYS 19 2 78.90 1 19 # _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 GLN . 2 A 2 A 3 1 n ARG . 3 A 3 A 4 1 n PHE . 4 A 4 A 5 1 n LEU . 5 A 5 A 6 1 n LEU . 6 A 6 A 7 1 n PRO . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n PHE . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n ALA . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n SER . 14 A 14 A 15 1 n PRO . 15 A 15 A 16 1 n PRO . 16 A 16 A 17 1 n ALA . 17 A 17 A 18 1 n ILE . 18 A 18 A 19 1 n CYS . 19 A 19 # _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 ? -12.855 -0.596 5.772 1.00 88.48 1 A 1 ATOM 2 C CA . MET A 1 1 ? -11.589 -1.320 5.622 1.00 89.28 1 A 1 ATOM 3 C C . MET A 1 1 ? -10.989 -1.054 4.246 1.00 89.90 1 A 1 ATOM 4 O O . MET A 1 1 ? -9.909 -1.523 3.925 1.00 87.31 1 A 1 ATOM 5 C CB . MET A 1 1 ? -11.822 -2.820 5.809 1.00 84.60 1 A 1 ATOM 6 C CG . MET A 1 1 ? -12.279 -3.132 7.230 1.00 78.90 1 A 1 ATOM 7 S SD . MET A 1 1 ? -11.235 -4.354 7.981 1.00 74.26 1 A 1 ATOM 8 C CE . MET A 1 1 ? -11.482 -3.946 9.705 1.00 64.89 1 A 1 ATOM 9 N N . GLN A 1 2 ? -11.720 -0.302 3.486 1.00 90.65 2 A 1 ATOM 10 C CA . GLN A 1 2 ? -11.239 0.063 2.161 1.00 91.00 2 A 1 ATOM 11 C C . GLN A 1 2 ? -10.388 1.327 2.235 1.00 91.80 2 A 1 ATOM 12 O O . GLN A 1 2 ? -10.144 1.868 3.311 1.00 87.77 2 A 1 ATOM 13 C CB . GLN A 1 2 ? -12.434 0.268 1.229 1.00 87.71 2 A 1 ATOM 14 C CG . GLN A 1 2 ? -13.404 1.300 1.752 1.00 75.80 2 A 1 ATOM 15 C CD . GLN A 1 2 ? -14.707 1.281 0.983 1.00 72.32 2 A 1 ATOM 16 O OE1 . GLN A 1 2 ? -14.859 1.978 -0.000 1.00 66.59 2 A 1 ATOM 17 N NE2 . GLN A 1 2 ? -15.638 0.466 1.419 1.00 63.61 2 A 1 ATOM 18 N N . ARG A 1 3 ? -9.947 1.767 1.094 1.00 88.72 3 A 1 ATOM 19 C CA . ARG A 1 3 ? -9.121 2.979 1.056 1.00 90.23 3 A 1 ATOM 20 C C . ARG A 1 3 ? -7.792 2.761 1.766 1.00 91.47 3 A 1 ATOM 21 O O . ARG A 1 3 ? -6.854 3.529 1.580 1.00 88.22 3 A 1 ATOM 22 C CB . ARG A 1 3 ? -9.869 4.145 1.703 1.00 87.43 3 A 1 ATOM 23 C CG . ARG A 1 3 ? -10.398 5.111 0.660 1.00 77.59 3 A 1 ATOM 24 C CD . ARG A 1 3 ? -9.294 6.076 0.272 1.00 76.68 3 A 1 ATOM 25 N NE . ARG A 1 3 ? -9.639 6.845 -0.920 1.00 69.87 3 A 1 ATOM 26 C CZ . ARG A 1 3 ? -8.898 7.842 -1.376 1.00 66.34 3 A 1 ATOM 27 N NH1 . ARG A 1 3 ? -7.787 8.186 -0.749 1.00 61.10 3 A 1 ATOM 28 N NH2 . ARG A 1 3 ? -9.259 8.491 -2.467 1.00 60.06 3 A 1 ATOM 29 N N . PHE A 1 4 ? -7.727 1.722 2.563 1.00 90.05 4 A 1 ATOM 30 C CA . PHE A 1 4 ? -6.509 1.405 3.302 1.00 90.26 4 A 1 ATOM 31 C C . PHE A 1 4 ? -5.479 0.798 2.356 1.00 92.06 4 A 1 ATOM 32 O O . PHE A 1 4 ? -4.273 0.927 2.556 1.00 90.37 4 A 1 ATOM 33 C CB . PHE A 1 4 ? -6.833 0.418 4.419 1.00 89.68 4 A 1 ATOM 34 C CG . PHE A 1 4 ? -5.772 0.378 5.484 1.00 85.77 4 A 1 ATOM 35 C CD1 . PHE A 1 4 ? -4.521 -0.149 5.220 1.00 81.80 4 A 1 ATOM 36 C CD2 . PHE A 1 4 ? -6.035 0.861 6.756 1.00 81.75 4 A 1 ATOM 37 C CE1 . PHE A 1 4 ? -3.537 -0.183 6.199 1.00 80.37 4 A 1 ATOM 38 C CE2 . PHE A 1 4 ? -5.058 0.821 7.742 1.00 80.92 4 A 1 ATOM 39 C CZ . PHE A 1 4 ? -3.810 0.297 7.458 1.00 80.42 4 A 1 ATOM 40 N N . LEU A 1 5 ? -5.982 0.155 1.322 1.00 93.96 5 A 1 ATOM 41 C CA . LEU A 1 5 ? -5.104 -0.470 0.341 1.00 93.84 5 A 1 ATOM 42 C C . LEU A 1 5 ? -4.402 0.584 -0.503 1.00 94.27 5 A 1 ATOM 43 O O . LEU A 1 5 ? -3.285 0.372 -0.972 1.00 93.03 5 A 1 ATOM 44 C CB . LEU A 1 5 ? -5.920 -1.403 -0.556 1.00 93.64 5 A 1 ATOM 45 C CG . LEU A 1 5 ? -6.698 -2.477 0.202 1.00 87.70 5 A 1 ATOM 46 C CD1 . LEU A 1 5 ? -7.726 -3.123 -0.711 1.00 83.34 5 A 1 ATOM 47 C CD2 . LEU A 1 5 ? -5.744 -3.532 0.748 1.00 83.38 5 A 1 ATOM 48 N N . LEU A 1 6 ? -5.067 1.694 -0.680 1.00 94.03 6 A 1 ATOM 49 C CA . LEU A 1 6 ? -4.501 2.785 -1.466 1.00 93.37 6 A 1 ATOM 50 C C . LEU A 1 6 ? -3.276 3.396 -0.778 1.00 93.66 6 A 1 ATOM 51 O O . LEU A 1 6 ? -2.193 3.446 -1.361 1.00 92.67 6 A 1 ATOM 52 C CB . LEU A 1 6 ? -5.571 3.847 -1.725 1.00 92.43 6 A 1 ATOM 53 C CG . LEU A 1 6 ? -5.208 4.830 -2.823 1.00 86.05 6 A 1 ATOM 54 C CD1 . LEU A 1 6 ? -5.115 4.119 -4.165 1.00 82.73 6 A 1 ATOM 55 C CD2 . LEU A 1 6 ? -6.235 5.943 -2.877 1.00 81.64 6 A 1 ATOM 56 N N . PRO A 1 7 ? -3.451 3.873 0.457 1.00 92.62 7 A 1 ATOM 57 C CA . PRO A 1 7 ? -2.326 4.467 1.189 1.00 92.02 7 A 1 ATOM 58 C C . PRO A 1 7 ? -1.246 3.443 1.494 1.00 93.34 7 A 1 ATOM 59 O O . PRO A 1 7 ? -0.059 3.765 1.501 1.00 92.35 7 A 1 ATOM 60 C CB . PRO A 1 7 ? -2.970 4.992 2.476 1.00 90.56 7 A 1 ATOM 61 C CG . PRO A 1 7 ? -4.212 4.195 2.641 1.00 89.58 7 A 1 ATOM 62 C CD . PRO A 1 7 ? -4.687 3.890 1.250 1.00 92.08 7 A 1 ATOM 63 N N . LEU A 1 8 ? -1.667 2.230 1.731 1.00 92.56 8 A 1 ATOM 64 C CA . LEU A 1 8 ? -0.728 1.156 2.030 1.00 92.76 8 A 1 ATOM 65 C C . LEU A 1 8 ? 0.074 0.796 0.785 1.00 93.62 8 A 1 ATOM 66 O O . LEU A 1 8 ? 1.289 0.613 0.849 1.00 92.75 8 A 1 ATOM 67 C CB . LEU A 1 8 ? -1.492 -0.068 2.539 1.00 92.55 8 A 1 ATOM 68 C CG . LEU A 1 8 ? -0.602 -1.196 3.038 1.00 87.11 8 A 1 ATOM 69 C CD1 . LEU A 1 8 ? 0.122 -0.778 4.313 1.00 84.19 8 A 1 ATOM 70 C CD2 . LEU A 1 8 ? -1.429 -2.446 3.296 1.00 83.72 8 A 1 ATOM 71 N N . LEU A 1 9 ? -0.618 0.701 -0.323 1.00 93.67 9 A 1 ATOM 72 C CA . LEU A 1 9 ? 0.028 0.377 -1.591 1.00 93.57 9 A 1 ATOM 73 C C . LEU A 1 9 ? 0.989 1.485 -1.997 1.00 94.38 9 A 1 ATOM 74 O O . LEU A 1 9 ? 2.107 1.225 -2.437 1.00 93.82 9 A 1 ATOM 75 C CB . LEU A 1 9 ? -1.034 0.177 -2.671 1.00 93.58 9 A 1 ATOM 76 C CG . LEU A 1 9 ? -0.479 -0.235 -4.028 1.00 87.55 9 A 1 ATOM 77 C CD1 . LEU A 1 9 ? 0.054 -1.659 -3.972 1.00 84.28 9 A 1 ATOM 78 C CD2 . LEU A 1 9 ? -1.555 -0.117 -5.089 1.00 84.92 9 A 1 ATOM 79 N N . PHE A 1 10 ? 0.537 2.705 -1.840 1.00 94.25 10 A 1 ATOM 80 C CA . PHE A 1 10 ? 1.361 3.860 -2.172 1.00 94.01 10 A 1 ATOM 81 C C . PHE A 1 10 ? 2.630 3.868 -1.324 1.00 94.86 10 A 1 ATOM 82 O O . PHE A 1 10 ? 3.716 4.158 -1.817 1.00 94.18 10 A 1 ATOM 83 C CB . PHE A 1 10 ? 0.562 5.139 -1.930 1.00 93.49 10 A 1 ATOM 84 C CG . PHE A 1 10 ? 1.378 6.381 -2.135 1.00 89.65 10 A 1 ATOM 85 C CD1 . PHE A 1 10 ? 1.746 6.777 -3.411 1.00 87.00 10 A 1 ATOM 86 C CD2 . PHE A 1 10 ? 1.783 7.141 -1.055 1.00 86.93 10 A 1 ATOM 87 C CE1 . PHE A 1 10 ? 2.503 7.920 -3.606 1.00 85.78 10 A 1 ATOM 88 C CE2 . PHE A 1 10 ? 2.547 8.287 -1.244 1.00 85.36 10 A 1 ATOM 89 C CZ . PHE A 1 10 ? 2.904 8.674 -2.521 1.00 85.76 10 A 1 ATOM 90 N N . LEU A 1 11 ? 2.475 3.559 -0.074 1.00 93.81 11 A 1 ATOM 91 C CA . LEU A 1 11 ? 3.608 3.521 0.842 1.00 93.22 11 A 1 ATOM 92 C C . LEU A 1 11 ? 4.503 2.330 0.528 1.00 94.05 11 A 1 ATOM 93 O O . LEU A 1 11 ? 5.723 2.406 0.654 1.00 92.68 11 A 1 ATOM 94 C CB . LEU A 1 11 ? 3.107 3.431 2.282 1.00 92.46 11 A 1 ATOM 95 C CG . LEU A 1 11 ? 4.090 3.980 3.308 1.00 86.32 11 A 1 ATOM 96 C CD1 . LEU A 1 11 ? 4.221 5.489 3.157 1.00 82.94 11 A 1 ATOM 97 C CD2 . LEU A 1 11 ? 3.632 3.624 4.714 1.00 83.72 11 A 1 ATOM 98 N N . ALA A 1 12 ? 3.891 1.247 0.120 1.00 95.58 12 A 1 ATOM 99 C CA . ALA A 1 12 ? 4.626 0.036 -0.218 1.00 95.52 12 A 1 ATOM 100 C C . ALA A 1 12 ? 5.553 0.282 -1.403 1.00 95.92 12 A 1 ATOM 101 O O . ALA A 1 12 ? 6.676 -0.213 -1.439 1.00 94.06 12 A 1 ATOM 102 C CB . ALA A 1 12 ? 3.650 -1.091 -0.539 1.00 94.86 12 A 1 ATOM 103 N N . LEU A 1 13 ? 5.073 1.053 -2.357 1.00 94.64 13 A 1 ATOM 104 C CA . LEU A 1 13 ? 5.856 1.374 -3.542 1.00 93.52 13 A 1 ATOM 105 C C . LEU A 1 13 ? 7.023 2.280 -3.184 1.00 93.61 13 A 1 ATOM 106 O O . LEU A 1 13 ? 8.052 2.284 -3.863 1.00 90.86 13 A 1 ATOM 107 C CB . LEU A 1 13 ? 4.963 2.046 -4.581 1.00 92.54 13 A 1 ATOM 108 C CG . LEU A 1 13 ? 3.892 1.131 -5.168 1.00 88.26 13 A 1 ATOM 109 C CD1 . LEU A 1 13 ? 2.889 1.935 -5.969 1.00 83.23 13 A 1 ATOM 110 C CD2 . LEU A 1 13 ? 4.531 0.060 -6.031 1.00 82.77 13 A 1 ATOM 111 N N . SER A 1 14 ? 6.855 3.030 -2.136 1.00 93.40 14 A 1 ATOM 112 C CA . SER A 1 14 ? 7.898 3.938 -1.668 1.00 92.93 14 A 1 ATOM 113 C C . SER A 1 14 ? 8.070 3.828 -0.157 1.00 93.14 14 A 1 ATOM 114 O O . SER A 1 14 ? 7.471 4.594 0.599 1.00 90.41 14 A 1 ATOM 115 C CB . SER A 1 14 ? 7.538 5.369 -2.051 1.00 90.47 14 A 1 ATOM 116 O OG . SER A 1 14 ? 6.289 5.739 -1.524 1.00 79.35 14 A 1 ATOM 117 N N . PRO A 1 15 ? 8.882 2.893 0.291 1.00 91.87 15 A 1 ATOM 118 C CA . PRO A 1 15 ? 9.119 2.676 1.719 1.00 91.49 15 A 1 ATOM 119 C C . PRO A 1 15 ? 9.646 3.934 2.409 1.00 92.56 15 A 1 ATOM 120 O O . PRO A 1 15 ? 10.638 4.521 1.969 1.00 89.16 15 A 1 ATOM 121 C CB . PRO A 1 15 ? 10.154 1.551 1.747 1.00 88.73 15 A 1 ATOM 122 C CG . PRO A 1 15 ? 10.780 1.567 0.403 1.00 85.16 15 A 1 ATOM 123 C CD . PRO A 1 15 ? 9.710 2.033 -0.544 1.00 88.01 15 A 1 ATOM 124 N N . PRO A 1 16 ? 8.980 4.340 3.480 1.00 91.61 16 A 1 ATOM 125 C CA . PRO A 1 16 ? 9.351 5.537 4.232 1.00 90.88 16 A 1 ATOM 126 C C . PRO A 1 16 ? 10.480 5.247 5.224 1.00 91.71 16 A 1 ATOM 127 O O . PRO A 1 16 ? 10.236 5.041 6.408 1.00 86.49 16 A 1 ATOM 128 C CB . PRO A 1 16 ? 8.056 5.903 4.961 1.00 87.82 16 A 1 ATOM 129 C CG . PRO A 1 16 ? 7.349 4.604 5.167 1.00 85.20 16 A 1 ATOM 130 C CD . PRO A 1 16 ? 7.750 3.720 3.997 1.00 89.16 16 A 1 ATOM 131 N N . ALA A 1 17 ? 11.698 5.242 4.724 1.00 90.73 17 A 1 ATOM 132 C CA . ALA A 1 17 ? 12.857 4.986 5.579 1.00 89.55 17 A 1 ATOM 133 C C . ALA A 1 17 ? 12.761 3.637 6.279 1.00 89.73 17 A 1 ATOM 134 O O . ALA A 1 17 ? 11.917 3.436 7.148 1.00 85.16 17 A 1 ATOM 135 C CB . ALA A 1 17 ? 12.993 6.099 6.610 1.00 87.32 17 A 1 ATOM 136 N N . ILE A 1 18 ? 13.620 2.737 5.882 1.00 87.75 18 A 1 ATOM 137 C CA . ILE A 1 18 ? 13.621 1.411 6.492 1.00 85.77 18 A 1 ATOM 138 C C . ILE A 1 18 ? 15.001 1.110 7.081 1.00 85.61 18 A 1 ATOM 139 O O . ILE A 1 18 ? 15.489 -0.018 7.037 1.00 79.70 18 A 1 ATOM 140 C CB . ILE A 1 18 ? 13.225 0.354 5.455 1.00 83.87 18 A 1 ATOM 141 C CG1 . ILE A 1 18 ? 12.985 -0.992 6.115 1.00 79.73 18 A 1 ATOM 142 C CG2 . ILE A 1 18 ? 14.292 0.262 4.363 1.00 77.94 18 A 1 ATOM 143 C CD1 . ILE A 1 18 ? 11.702 -1.040 6.910 1.00 69.37 18 A 1 ATOM 144 N N . CYS A 1 19 ? 15.626 2.133 7.629 1.00 88.99 19 A 1 ATOM 145 C CA . CYS A 1 19 ? 16.954 2.000 8.223 1.00 85.08 19 A 1 ATOM 146 C C . CYS A 1 19 ? 16.913 1.026 9.400 1.00 81.95 19 A 1 ATOM 147 O O . CYS A 1 19 ? 17.894 0.290 9.589 1.00 76.54 19 A 1 ATOM 148 C CB . CYS A 1 19 ? 17.449 3.370 8.694 1.00 79.53 19 A 1 ATOM 149 S SG . CYS A 1 19 ? 16.153 4.397 9.413 1.00 71.73 19 A 1 ATOM 150 O OXT . CYS A 1 19 ? 15.914 1.009 10.123 1.00 68.50 19 A 1 #