# 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_spkb37943 # _entry.id spkb37943 # 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 H8 N2 O3" 132.118 ASN y ASPARAGINE C([C@@H](C(=O)O)N)C(=O)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" "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" "C4 H9 N O3" 119.119 THR y THREONINE C[C@H]([C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C9 H11 N O3" 181.189 TYR y TYROSINE c1cc(ccc1C[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 GLY 2 1 n THR 3 1 n ASN 4 1 n VAL 5 1 n VAL 6 1 n ARG 7 1 n VAL 8 1 n PHE 9 1 n VAL 10 1 n ILE 11 1 n LEU 12 1 n TYR 13 1 n LEU 14 1 n LEU 15 1 n ALA 16 1 n VAL 17 1 n CYS 18 1 n GLY 19 1 n CYS 20 # _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 @ 2025-07-03 21:38:00)" _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 93.99 _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 82.78 1 1 A GLY 2 2 93.16 1 2 A THR 3 2 93.86 1 3 A ASN 4 2 92.70 1 4 A VAL 5 2 96.61 1 5 A VAL 6 2 97.39 1 6 A ARG 7 2 92.09 1 7 A VAL 8 2 97.36 1 8 A PHE 9 2 95.60 1 9 A VAL 10 2 97.27 1 10 A ILE 11 2 96.20 1 11 A LEU 12 2 95.51 1 12 A TYR 13 2 95.83 1 13 A LEU 14 2 95.88 1 14 A LEU 15 2 95.79 1 15 A ALA 16 2 97.99 1 16 A VAL 17 2 96.56 1 17 A CYS 18 2 94.64 1 18 A GLY 19 2 90.86 1 19 A CYS 20 2 80.80 1 20 # _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 GLY . 2 A 2 A 3 1 n THR . 3 A 3 A 4 1 n ASN . 4 A 4 A 5 1 n VAL . 5 A 5 A 6 1 n VAL . 6 A 6 A 7 1 n ARG . 7 A 7 A 8 1 n VAL . 8 A 8 A 9 1 n PHE . 9 A 9 A 10 1 n VAL . 10 A 10 A 11 1 n ILE . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n TYR . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n ALA . 16 A 16 A 17 1 n VAL . 17 A 17 A 18 1 n CYS . 18 A 18 A 19 1 n GLY . 19 A 19 A 20 1 n CYS . 20 A 20 # _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 ? -11.438 0.015 12.108 1.00 91.34 1 A 1 ATOM 2 C CA . MET A 1 1 ? -10.187 -0.442 12.741 1.00 91.47 1 A 1 ATOM 3 C C . MET A 1 1 ? -9.301 -1.151 11.724 1.00 91.68 1 A 1 ATOM 4 O O . MET A 1 1 ? -9.797 -1.777 10.799 1.00 85.55 1 A 1 ATOM 5 C CB . MET A 1 1 ? -10.505 -1.400 13.893 1.00 85.94 1 A 1 ATOM 6 C CG . MET A 1 1 ? -11.168 -0.692 15.061 1.00 77.65 1 A 1 ATOM 7 S SD . MET A 1 1 ? -11.700 -1.837 16.329 1.00 71.89 1 A 1 ATOM 8 C CE . MET A 1 1 ? -12.315 -0.695 17.554 1.00 66.74 1 A 1 ATOM 9 N N . GLY A 1 2 ? -8.007 -1.033 11.900 1.00 91.18 2 A 1 ATOM 10 C CA . GLY A 1 2 ? -7.078 -1.667 10.974 1.00 93.45 2 A 1 ATOM 11 C C . GLY A 1 2 ? -6.815 -0.831 9.739 1.00 94.96 2 A 1 ATOM 12 O O . GLY A 1 2 ? -6.039 -1.226 8.868 1.00 93.03 2 A 1 ATOM 13 N N . THR A 1 3 ? -7.445 0.322 9.660 1.00 96.29 3 A 1 ATOM 14 C CA . THR A 1 3 ? -7.279 1.217 8.510 1.00 96.85 3 A 1 ATOM 15 C C . THR A 1 3 ? -5.845 1.738 8.430 1.00 97.37 3 A 1 ATOM 16 O O . THR A 1 3 ? -5.344 2.052 7.350 1.00 95.67 3 A 1 ATOM 17 C CB . THR A 1 3 ? -8.259 2.400 8.582 1.00 95.42 3 A 1 ATOM 18 O OG1 . THR A 1 3 ? -8.144 3.180 7.388 1.00 88.44 3 A 1 ATOM 19 C CG2 . THR A 1 3 ? -7.992 3.290 9.781 1.00 86.95 3 A 1 ATOM 20 N N . ASN A 1 4 ? -5.182 1.814 9.572 1.00 96.84 4 A 1 ATOM 21 C CA . ASN A 1 4 ? -3.799 2.285 9.635 1.00 97.18 4 A 1 ATOM 22 C C . ASN A 1 4 ? -2.878 1.349 8.862 1.00 97.65 4 A 1 ATOM 23 O O . ASN A 1 4 ? -1.984 1.791 8.145 1.00 97.04 4 A 1 ATOM 24 C CB . ASN A 1 4 ? -3.340 2.379 11.089 1.00 96.20 4 A 1 ATOM 25 C CG . ASN A 1 4 ? -2.178 3.330 11.254 1.00 89.50 4 A 1 ATOM 26 O OD1 . ASN A 1 4 ? -1.030 2.925 11.238 1.00 83.91 4 A 1 ATOM 27 N ND2 . ASN A 1 4 ? -2.474 4.608 11.421 1.00 83.32 4 A 1 ATOM 28 N N . VAL A 1 5 ? -3.123 0.060 8.998 1.00 97.76 5 A 1 ATOM 29 C CA . VAL A 1 5 ? -2.329 -0.951 8.302 1.00 97.94 5 A 1 ATOM 30 C C . VAL A 1 5 ? -2.501 -0.820 6.792 1.00 98.11 5 A 1 ATOM 31 O O . VAL A 1 5 ? -1.525 -0.877 6.037 1.00 97.77 5 A 1 ATOM 32 C CB . VAL A 1 5 ? -2.724 -2.366 8.747 1.00 97.44 5 A 1 ATOM 33 C CG1 . VAL A 1 5 ? -1.893 -3.409 8.020 1.00 93.55 5 A 1 ATOM 34 C CG2 . VAL A 1 5 ? -2.564 -2.511 10.249 1.00 93.73 5 A 1 ATOM 35 N N . VAL A 1 6 ? -3.743 -0.641 6.370 1.00 98.16 6 A 1 ATOM 36 C CA . VAL A 1 6 ? -4.055 -0.497 4.949 1.00 98.18 6 A 1 ATOM 37 C C . VAL A 1 6 ? -3.415 0.765 4.382 1.00 98.26 6 A 1 ATOM 38 O O . VAL A 1 6 ? -2.853 0.753 3.285 1.00 97.97 6 A 1 ATOM 39 C CB . VAL A 1 6 ? -5.575 -0.462 4.717 1.00 97.86 6 A 1 ATOM 40 C CG1 . VAL A 1 6 ? -5.896 -0.290 3.239 1.00 95.56 6 A 1 ATOM 41 C CG2 . VAL A 1 6 ? -6.220 -1.730 5.251 1.00 95.71 6 A 1 ATOM 42 N N . ARG A 1 7 ? -3.502 1.855 5.133 1.00 97.77 7 A 1 ATOM 43 C CA . ARG A 1 7 ? -2.926 3.131 4.701 1.00 97.83 7 A 1 ATOM 44 C C . ARG A 1 7 ? -1.415 3.024 4.543 1.00 98.10 7 A 1 ATOM 45 O O . ARG A 1 7 ? -0.855 3.505 3.558 1.00 97.67 7 A 1 ATOM 46 C CB . ARG A 1 7 ? -3.268 4.230 5.705 1.00 97.43 7 A 1 ATOM 47 C CG . ARG A 1 7 ? -4.707 4.709 5.578 1.00 93.34 7 A 1 ATOM 48 C CD . ARG A 1 7 ? -4.797 6.204 5.764 1.00 91.90 7 A 1 ATOM 49 N NE . ARG A 1 7 ? -6.166 6.696 5.556 1.00 89.05 7 A 1 ATOM 50 C CZ . ARG A 1 7 ? -6.702 6.914 4.357 1.00 86.65 7 A 1 ATOM 51 N NH1 . ARG A 1 7 ? -6.017 6.674 3.258 1.00 81.82 7 A 1 ATOM 52 N NH2 . ARG A 1 7 ? -7.942 7.370 4.263 1.00 81.42 7 A 1 ATOM 53 N N . VAL A 1 8 ? -0.771 2.394 5.494 1.00 97.99 8 A 1 ATOM 54 C CA . VAL A 1 8 ? 0.680 2.204 5.446 1.00 98.05 8 A 1 ATOM 55 C C . VAL A 1 8 ? 1.067 1.356 4.238 1.00 98.22 8 A 1 ATOM 56 O O . VAL A 1 8 ? 2.066 1.629 3.565 1.00 97.94 8 A 1 ATOM 57 C CB . VAL A 1 8 ? 1.192 1.546 6.737 1.00 97.67 8 A 1 ATOM 58 C CG1 . VAL A 1 8 ? 2.672 1.197 6.622 1.00 95.89 8 A 1 ATOM 59 C CG2 . VAL A 1 8 ? 0.973 2.472 7.921 1.00 95.73 8 A 1 ATOM 60 N N . PHE A 1 9 ? 0.265 0.336 3.971 1.00 97.78 9 A 1 ATOM 61 C CA . PHE A 1 9 ? 0.504 -0.551 2.837 1.00 97.78 9 A 1 ATOM 62 C C . PHE A 1 9 ? 0.421 0.207 1.520 1.00 97.95 9 A 1 ATOM 63 O O . PHE A 1 9 ? 1.266 0.037 0.640 1.00 97.72 9 A 1 ATOM 64 C CB . PHE A 1 9 ? -0.516 -1.687 2.849 1.00 97.53 9 A 1 ATOM 65 C CG . PHE A 1 9 ? 0.124 -3.049 2.882 1.00 96.18 9 A 1 ATOM 66 C CD1 . PHE A 1 9 ? 0.716 -3.524 4.041 1.00 93.67 9 A 1 ATOM 67 C CD2 . PHE A 1 9 ? 0.123 -3.845 1.748 1.00 93.75 9 A 1 ATOM 68 C CE1 . PHE A 1 9 ? 1.304 -4.775 4.073 1.00 92.82 9 A 1 ATOM 69 C CE2 . PHE A 1 9 ? 0.708 -5.101 1.772 1.00 93.01 9 A 1 ATOM 70 C CZ . PHE A 1 9 ? 1.301 -5.570 2.936 1.00 93.37 9 A 1 ATOM 71 N N . VAL A 1 10 ? -0.597 1.050 1.392 1.00 97.73 10 A 1 ATOM 72 C CA . VAL A 1 10 ? -0.798 1.837 0.175 1.00 97.77 10 A 1 ATOM 73 C C . VAL A 1 10 ? 0.349 2.825 -0.028 1.00 98.00 10 A 1 ATOM 74 O O . VAL A 1 10 ? 0.877 2.963 -1.136 1.00 97.84 10 A 1 ATOM 75 C CB . VAL A 1 10 ? -2.137 2.597 0.224 1.00 97.43 10 A 1 ATOM 76 C CG1 . VAL A 1 10 ? -2.286 3.528 -0.975 1.00 96.14 10 A 1 ATOM 77 C CG2 . VAL A 1 10 ? -3.299 1.618 0.262 1.00 95.99 10 A 1 ATOM 78 N N . ILE A 1 11 ? 0.728 3.507 1.031 1.00 97.48 11 A 1 ATOM 79 C CA . ILE A 1 11 ? 1.813 4.485 0.970 1.00 97.27 11 A 1 ATOM 80 C C . ILE A 1 11 ? 3.131 3.803 0.620 1.00 97.58 11 A 1 ATOM 81 O O . ILE A 1 11 ? 3.900 4.298 -0.211 1.00 97.37 11 A 1 ATOM 82 C CB . ILE A 1 11 ? 1.948 5.238 2.307 1.00 96.96 11 A 1 ATOM 83 C CG1 . ILE A 1 11 ? 0.702 6.089 2.571 1.00 95.85 11 A 1 ATOM 84 C CG2 . ILE A 1 11 ? 3.188 6.133 2.294 1.00 95.79 11 A 1 ATOM 85 C CD1 . ILE A 1 11 ? 0.568 6.519 4.016 1.00 91.33 11 A 1 ATOM 86 N N . LEU A 1 12 ? 3.380 2.682 1.254 1.00 97.82 12 A 1 ATOM 87 C CA . LEU A 1 12 ? 4.605 1.924 1.007 1.00 97.78 12 A 1 ATOM 88 C C . LEU A 1 12 ? 4.655 1.424 -0.431 1.00 98.06 12 A 1 ATOM 89 O O . LEU A 1 12 ? 5.711 1.443 -1.066 1.00 97.94 12 A 1 ATOM 90 C CB . LEU A 1 12 ? 4.686 0.743 1.975 1.00 97.39 12 A 1 ATOM 91 C CG . LEU A 1 12 ? 6.014 -0.008 1.944 1.00 92.36 12 A 1 ATOM 92 C CD1 . LEU A 1 12 ? 7.135 0.848 2.528 1.00 91.09 12 A 1 ATOM 93 C CD2 . LEU A 1 12 ? 5.902 -1.312 2.712 1.00 91.63 12 A 1 ATOM 94 N N . TYR A 1 13 ? 3.510 0.980 -0.927 1.00 97.80 13 A 1 ATOM 95 C CA . TYR A 1 13 ? 3.402 0.481 -2.296 1.00 97.79 13 A 1 ATOM 96 C C . TYR A 1 13 ? 3.727 1.583 -3.301 1.00 97.93 13 A 1 ATOM 97 O O . TYR A 1 13 ? 4.511 1.384 -4.232 1.00 97.61 13 A 1 ATOM 98 C CB . TYR A 1 13 ? 1.993 -0.056 -2.542 1.00 97.55 13 A 1 ATOM 99 C CG . TYR A 1 13 ? 1.852 -0.762 -3.876 1.00 96.79 13 A 1 ATOM 100 C CD1 . TYR A 1 13 ? 2.447 -2.004 -4.089 1.00 94.67 13 A 1 ATOM 101 C CD2 . TYR A 1 13 ? 1.124 -0.187 -4.909 1.00 94.49 13 A 1 ATOM 102 C CE1 . TYR A 1 13 ? 2.319 -2.648 -5.308 1.00 93.57 13 A 1 ATOM 103 C CE2 . TYR A 1 13 ? 0.994 -0.830 -6.132 1.00 93.67 13 A 1 ATOM 104 C CZ . TYR A 1 13 ? 1.594 -2.059 -6.325 1.00 94.55 13 A 1 ATOM 105 O OH . TYR A 1 13 ? 1.470 -2.697 -7.536 1.00 93.48 13 A 1 ATOM 106 N N . LEU A 1 14 ? 3.124 2.749 -3.102 1.00 98.12 14 A 1 ATOM 107 C CA . LEU A 1 14 ? 3.346 3.885 -3.992 1.00 98.08 14 A 1 ATOM 108 C C . LEU A 1 14 ? 4.795 4.355 -3.928 1.00 98.29 14 A 1 ATOM 109 O O . LEU A 1 14 ? 5.386 4.710 -4.951 1.00 98.07 14 A 1 ATOM 110 C CB . LEU A 1 14 ? 2.410 5.032 -3.604 1.00 97.74 14 A 1 ATOM 111 C CG . LEU A 1 14 ? 0.950 4.802 -3.983 1.00 93.08 14 A 1 ATOM 112 C CD1 . LEU A 1 14 ? 0.042 5.752 -3.220 1.00 91.67 14 A 1 ATOM 113 C CD2 . LEU A 1 14 ? 0.758 4.987 -5.483 1.00 91.98 14 A 1 ATOM 114 N N . LEU A 1 15 ? 5.353 4.360 -2.740 1.00 98.23 15 A 1 ATOM 115 C CA . LEU A 1 15 ? 6.734 4.784 -2.536 1.00 98.03 15 A 1 ATOM 116 C C . LEU A 1 15 ? 7.707 3.824 -3.208 1.00 98.14 15 A 1 ATOM 117 O O . LEU A 1 15 ? 8.671 4.251 -3.845 1.00 97.60 15 A 1 ATOM 118 C CB . LEU A 1 15 ? 7.038 4.863 -1.040 1.00 97.53 15 A 1 ATOM 119 C CG . LEU A 1 15 ? 8.374 5.526 -0.713 1.00 93.98 15 A 1 ATOM 120 C CD1 . LEU A 1 15 ? 8.260 7.043 -0.797 1.00 91.44 15 A 1 ATOM 121 C CD2 . LEU A 1 15 ? 8.845 5.112 0.669 1.00 91.36 15 A 1 ATOM 122 N N . ALA A 1 16 ? 7.452 2.540 -3.071 1.00 98.31 16 A 1 ATOM 123 C CA . ALA A 1 16 ? 8.316 1.515 -3.646 1.00 98.21 16 A 1 ATOM 124 C C . ALA A 1 16 ? 8.184 1.446 -5.161 1.00 98.29 16 A 1 ATOM 125 O O . ALA A 1 16 ? 9.179 1.282 -5.868 1.00 97.54 16 A 1 ATOM 126 C CB . ALA A 1 16 ? 7.991 0.159 -3.029 1.00 97.62 16 A 1 ATOM 127 N N . VAL A 1 17 ? 6.958 1.571 -5.658 1.00 98.35 17 A 1 ATOM 128 C CA . VAL A 1 17 ? 6.687 1.486 -7.091 1.00 98.15 17 A 1 ATOM 129 C C . VAL A 1 17 ? 7.124 2.748 -7.822 1.00 98.18 17 A 1 ATOM 130 O O . VAL A 1 17 ? 7.837 2.677 -8.825 1.00 97.35 17 A 1 ATOM 131 C CB . VAL A 1 17 ? 5.195 1.217 -7.357 1.00 97.25 17 A 1 ATOM 132 C CG1 . VAL A 1 17 ? 4.898 1.268 -8.851 1.00 92.97 17 A 1 ATOM 133 C CG2 . VAL A 1 17 ? 4.794 -0.135 -6.800 1.00 93.64 17 A 1 ATOM 134 N N . CYS A 1 18 ? 6.695 3.901 -7.323 1.00 97.31 18 A 1 ATOM 135 C CA . CYS A 1 18 ? 7.011 5.179 -7.954 1.00 96.96 18 A 1 ATOM 136 C C . CYS A 1 18 ? 8.343 5.725 -7.453 1.00 97.02 18 A 1 ATOM 137 O O . CYS A 1 18 ? 9.218 6.082 -8.237 1.00 94.44 18 A 1 ATOM 138 C CB . CYS A 1 18 ? 5.891 6.190 -7.693 1.00 94.95 18 A 1 ATOM 139 S SG . CYS A 1 18 ? 5.821 7.466 -8.967 1.00 87.18 18 A 1 ATOM 140 N N . GLY A 1 19 ? 8.488 5.782 -6.137 1.00 93.69 19 A 1 ATOM 141 C CA . GLY A 1 19 ? 9.715 6.284 -5.536 1.00 91.92 19 A 1 ATOM 142 C C . GLY A 1 19 ? 9.734 7.796 -5.410 1.00 90.91 19 A 1 ATOM 143 O O . GLY A 1 19 ? 10.769 8.385 -5.089 1.00 86.92 19 A 1 ATOM 144 N N . CYS A 1 20 ? 8.570 8.414 -5.674 1.00 91.58 20 A 1 ATOM 145 C CA . CYS A 1 20 ? 8.443 9.869 -5.610 1.00 88.60 20 A 1 ATOM 146 C C . CYS A 1 20 ? 7.292 10.240 -4.696 1.00 85.58 20 A 1 ATOM 147 O O . CYS A 1 20 ? 7.541 10.665 -3.559 1.00 77.88 20 A 1 ATOM 148 C CB . CYS A 1 20 ? 8.236 10.465 -7.011 1.00 80.91 20 A 1 ATOM 149 S SG . CYS A 1 20 ? 9.716 10.432 -8.027 1.00 71.85 20 A 1 ATOM 150 O OXT . CYS A 1 20 ? 6.132 10.102 -5.112 1.00 69.20 20 A 1 #