# 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_spkb34281 # _entry.id spkb34281 # 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" "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 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" "C11 H12 N2 O2" 204.225 TRP y TRYPTOPHAN c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N ? "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 SER 2 1 n GLY 3 1 n MET 4 1 n ASN 5 1 n GLN 6 1 n VAL 7 1 n VAL 8 1 n ALA 9 1 n THR 10 1 n CYS 11 1 n TRP 12 1 n THR 13 1 n CYS 14 1 n LEU 15 1 n LEU 16 1 n LEU 17 1 n SER 18 1 n ALA 19 1 n PHE 20 1 n LEU 21 1 n CYS 22 1 n GLU 23 1 n PRO 24 1 n VAL 25 1 n LEU 26 1 n SER 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 @ 2025-07-11 19:51:48)" _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 82.15 _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 64.84 1 1 A SER 2 2 72.68 1 2 A GLY 3 2 80.19 1 3 A MET 4 2 75.28 1 4 A ASN 5 2 73.62 1 5 A GLN 6 2 78.51 1 6 A VAL 7 2 83.23 1 7 A VAL 8 2 85.42 1 8 A ALA 9 2 90.46 1 9 A THR 10 2 86.73 1 10 A CYS 11 2 87.61 1 11 A TRP 12 2 85.07 1 12 A THR 13 2 90.52 1 13 A CYS 14 2 88.56 1 14 A LEU 15 2 89.23 1 15 A LEU 16 2 89.19 1 16 A LEU 17 2 88.82 1 17 A SER 18 2 88.12 1 18 A ALA 19 2 91.27 1 19 A PHE 20 2 86.49 1 20 A LEU 21 2 87.88 1 21 A CYS 22 2 82.68 1 22 A GLU 23 2 73.98 1 23 A PRO 24 2 81.52 1 24 A VAL 25 2 78.40 1 25 A LEU 26 2 73.54 1 26 A SER 27 2 69.59 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 SER . 2 A 2 A 3 1 n GLY . 3 A 3 A 4 1 n MET . 4 A 4 A 5 1 n ASN . 5 A 5 A 6 1 n GLN . 6 A 6 A 7 1 n VAL . 7 A 7 A 8 1 n VAL . 8 A 8 A 9 1 n ALA . 9 A 9 A 10 1 n THR . 10 A 10 A 11 1 n CYS . 11 A 11 A 12 1 n TRP . 12 A 12 A 13 1 n THR . 13 A 13 A 14 1 n CYS . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n LEU . 16 A 16 A 17 1 n LEU . 17 A 17 A 18 1 n SER . 18 A 18 A 19 1 n ALA . 19 A 19 A 20 1 n PHE . 20 A 20 A 21 1 n LEU . 21 A 21 A 22 1 n CYS . 22 A 22 A 23 1 n GLU . 23 A 23 A 24 1 n PRO . 24 A 24 A 25 1 n VAL . 25 A 25 A 26 1 n LEU . 26 A 26 A 27 1 n SER . 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 ? 2.250 -21.063 4.930 1.00 68.50 1 A 1 ATOM 2 C CA . MET A 1 1 ? 2.739 -19.674 4.791 1.00 71.78 1 A 1 ATOM 3 C C . MET A 1 1 ? 1.883 -18.811 3.842 1.00 72.91 1 A 1 ATOM 4 O O . MET A 1 1 ? 2.280 -17.709 3.519 1.00 67.53 1 A 1 ATOM 5 C CB . MET A 1 1 ? 4.220 -19.676 4.367 1.00 66.26 1 A 1 ATOM 6 C CG . MET A 1 1 ? 5.143 -20.099 5.525 1.00 63.30 1 A 1 ATOM 7 S SD . MET A 1 1 ? 6.856 -20.314 4.983 1.00 56.95 1 A 1 ATOM 8 C CE . MET A 1 1 ? 7.680 -20.445 6.578 1.00 51.46 1 A 1 ATOM 9 N N . SER A 1 2 ? 0.712 -19.295 3.402 1.00 75.02 2 A 1 ATOM 10 C CA . SER A 1 2 ? -0.147 -18.573 2.443 1.00 76.81 2 A 1 ATOM 11 C C . SER A 1 2 ? -0.896 -17.385 3.064 1.00 77.32 2 A 1 ATOM 12 O O . SER A 1 2 ? -1.040 -16.345 2.428 1.00 71.94 2 A 1 ATOM 13 C CB . SER A 1 2 ? -1.128 -19.571 1.823 1.00 71.59 2 A 1 ATOM 14 O OG . SER A 1 2 ? -1.825 -18.971 0.763 1.00 63.40 2 A 1 ATOM 15 N N . GLY A 1 3 ? -1.325 -17.488 4.327 1.00 78.51 3 A 1 ATOM 16 C CA . GLY A 1 3 ? -2.103 -16.429 4.985 1.00 81.35 3 A 1 ATOM 17 C C . GLY A 1 3 ? -1.314 -15.141 5.241 1.00 82.62 3 A 1 ATOM 18 O O . GLY A 1 3 ? -1.873 -14.049 5.153 1.00 78.27 3 A 1 ATOM 19 N N . MET A 1 4 ? -0.009 -15.243 5.502 1.00 79.78 4 A 1 ATOM 20 C CA . MET A 1 4 ? 0.843 -14.076 5.763 1.00 83.30 4 A 1 ATOM 21 C C . MET A 1 4 ? 1.028 -13.214 4.505 1.00 84.87 4 A 1 ATOM 22 O O . MET A 1 4 ? 0.950 -11.993 4.576 1.00 81.38 4 A 1 ATOM 23 C CB . MET A 1 4 ? 2.182 -14.558 6.341 1.00 79.22 4 A 1 ATOM 24 C CG . MET A 1 4 ? 2.666 -13.662 7.479 1.00 72.30 4 A 1 ATOM 25 S SD . MET A 1 4 ? 3.953 -14.471 8.468 1.00 63.76 4 A 1 ATOM 26 C CE . MET A 1 4 ? 4.398 -13.123 9.573 1.00 57.60 4 A 1 ATOM 27 N N . ASN A 1 5 ? 1.166 -13.851 3.330 1.00 77.37 5 A 1 ATOM 28 C CA . ASN A 1 5 ? 1.270 -13.146 2.050 1.00 78.71 5 A 1 ATOM 29 C C . ASN A 1 5 ? -0.022 -12.395 1.708 1.00 81.07 5 A 1 ATOM 30 O O . ASN A 1 5 ? 0.028 -11.311 1.135 1.00 80.16 5 A 1 ATOM 31 C CB . ASN A 1 5 ? 1.627 -14.149 0.948 1.00 75.80 5 A 1 ATOM 32 C CG . ASN A 1 5 ? 3.052 -14.658 1.050 1.00 69.69 5 A 1 ATOM 33 O OD1 . ASN A 1 5 ? 3.875 -14.179 1.806 1.00 63.04 5 A 1 ATOM 34 N ND2 . ASN A 1 5 ? 3.392 -15.658 0.266 1.00 63.13 5 A 1 ATOM 35 N N . GLN A 1 6 ? -1.184 -12.938 2.088 1.00 84.42 6 A 1 ATOM 36 C CA . GLN A 1 6 ? -2.478 -12.300 1.854 1.00 86.17 6 A 1 ATOM 37 C C . GLN A 1 6 ? -2.666 -11.061 2.740 1.00 87.75 6 A 1 ATOM 38 O O . GLN A 1 6 ? -3.121 -10.024 2.254 1.00 86.51 6 A 1 ATOM 39 C CB . GLN A 1 6 ? -3.574 -13.350 2.060 1.00 85.42 6 A 1 ATOM 40 C CG . GLN A 1 6 ? -4.907 -12.909 1.453 1.00 76.07 6 A 1 ATOM 41 C CD . GLN A 1 6 ? -5.938 -14.041 1.448 1.00 72.27 6 A 1 ATOM 42 O OE1 . GLN A 1 6 ? -5.692 -15.175 1.838 1.00 65.22 6 A 1 ATOM 43 N NE2 . GLN A 1 6 ? -7.142 -13.781 0.998 1.00 62.75 6 A 1 ATOM 44 N N . VAL A 1 7 ? -2.246 -11.122 4.013 1.00 85.14 7 A 1 ATOM 45 C CA . VAL A 1 7 ? -2.263 -9.968 4.927 1.00 85.98 7 A 1 ATOM 46 C C . VAL A 1 7 ? -1.309 -8.873 4.439 1.00 86.80 7 A 1 ATOM 47 O O . VAL A 1 7 ? -1.689 -7.703 4.401 1.00 84.94 7 A 1 ATOM 48 C CB . VAL A 1 7 ? -1.921 -10.402 6.364 1.00 83.95 7 A 1 ATOM 49 C CG1 . VAL A 1 7 ? -1.807 -9.212 7.318 1.00 77.35 7 A 1 ATOM 50 C CG2 . VAL A 1 7 ? -3.001 -11.336 6.917 1.00 78.48 7 A 1 ATOM 51 N N . VAL A 1 8 ? -0.107 -9.247 4.009 1.00 87.89 8 A 1 ATOM 52 C CA . VAL A 1 8 ? 0.877 -8.302 3.457 1.00 88.03 8 A 1 ATOM 53 C C . VAL A 1 8 ? 0.349 -7.653 2.173 1.00 88.52 8 A 1 ATOM 54 O O . VAL A 1 8 ? 0.438 -6.435 2.040 1.00 87.00 8 A 1 ATOM 55 C CB . VAL A 1 8 ? 2.232 -8.993 3.225 1.00 86.89 8 A 1 ATOM 56 C CG1 . VAL A 1 8 ? 3.226 -8.103 2.475 1.00 79.19 8 A 1 ATOM 57 C CG2 . VAL A 1 8 ? 2.875 -9.359 4.571 1.00 80.45 8 A 1 ATOM 58 N N . ALA A 1 9 ? -0.261 -8.425 1.263 1.00 90.90 9 A 1 ATOM 59 C CA . ALA A 1 9 ? -0.854 -7.890 0.035 1.00 91.21 9 A 1 ATOM 60 C C . ALA A 1 9 ? -1.997 -6.905 0.331 1.00 91.31 9 A 1 ATOM 61 O O . ALA A 1 9 ? -2.050 -5.827 -0.258 1.00 88.91 9 A 1 ATOM 62 C CB . ALA A 1 9 ? -1.335 -9.061 -0.830 1.00 89.96 9 A 1 ATOM 63 N N . THR A 1 10 ? -2.870 -7.223 1.294 1.00 90.67 10 A 1 ATOM 64 C CA . THR A 1 10 ? -3.961 -6.331 1.715 1.00 89.86 10 A 1 ATOM 65 C C . THR A 1 10 ? -3.415 -5.042 2.329 1.00 90.35 10 A 1 ATOM 66 O O . THR A 1 10 ? -3.851 -3.956 1.954 1.00 88.20 10 A 1 ATOM 67 C CB . THR A 1 10 ? -4.889 -7.040 2.715 1.00 89.07 10 A 1 ATOM 68 O OG1 . THR A 1 10 ? -5.372 -8.243 2.163 1.00 80.43 10 A 1 ATOM 69 C CG2 . THR A 1 10 ? -6.114 -6.195 3.065 1.00 78.55 10 A 1 ATOM 70 N N . CYS A 1 11 ? -2.424 -5.141 3.211 1.00 88.53 11 A 1 ATOM 71 C CA . CYS A 1 11 ? -1.770 -3.977 3.815 1.00 89.55 11 A 1 ATOM 72 C C . CYS A 1 11 ? -1.105 -3.086 2.752 1.00 90.63 11 A 1 ATOM 73 O O . CYS A 1 11 ? -1.258 -1.868 2.782 1.00 87.52 11 A 1 ATOM 74 C CB . CYS A 1 11 ? -0.754 -4.477 4.850 1.00 88.02 11 A 1 ATOM 75 S SG . CYS A 1 11 ? -0.081 -3.080 5.785 1.00 81.40 11 A 1 ATOM 76 N N . TRP A 1 12 ? -0.427 -3.698 1.767 1.00 89.51 12 A 1 ATOM 77 C CA . TRP A 1 12 ? 0.200 -2.981 0.653 1.00 90.48 12 A 1 ATOM 78 C C . TRP A 1 12 ? -0.831 -2.243 -0.199 1.00 92.22 12 A 1 ATOM 79 O O . TRP A 1 12 ? -0.639 -1.072 -0.526 1.00 91.07 12 A 1 ATOM 80 C CB . TRP A 1 12 ? 0.996 -3.979 -0.190 1.00 89.87 12 A 1 ATOM 81 C CG . TRP A 1 12 ? 1.873 -3.314 -1.194 1.00 86.47 12 A 1 ATOM 82 C CD1 . TRP A 1 12 ? 1.596 -3.155 -2.511 1.00 82.41 12 A 1 ATOM 83 C CD2 . TRP A 1 12 ? 3.160 -2.680 -0.968 1.00 85.54 12 A 1 ATOM 84 N NE1 . TRP A 1 12 ? 2.636 -2.456 -3.112 1.00 80.74 12 A 1 ATOM 85 C CE2 . TRP A 1 12 ? 3.616 -2.148 -2.202 1.00 83.84 12 A 1 ATOM 86 C CE3 . TRP A 1 12 ? 3.983 -2.509 0.164 1.00 79.79 12 A 1 ATOM 87 C CZ2 . TRP A 1 12 ? 4.848 -1.464 -2.312 1.00 81.81 12 A 1 ATOM 88 C CZ3 . TRP A 1 12 ? 5.214 -1.827 0.057 1.00 78.65 12 A 1 ATOM 89 C CH2 . TRP A 1 12 ? 5.641 -1.308 -1.173 1.00 78.62 12 A 1 ATOM 90 N N . THR A 1 13 ? -1.970 -2.875 -0.501 1.00 93.00 13 A 1 ATOM 91 C CA . THR A 1 13 ? -3.073 -2.238 -1.234 1.00 92.90 13 A 1 ATOM 92 C C . THR A 1 13 ? -3.652 -1.053 -0.459 1.00 93.62 13 A 1 ATOM 93 O O . THR A 1 13 ? -3.890 0.001 -1.047 1.00 91.43 13 A 1 ATOM 94 C CB . THR A 1 13 ? -4.178 -3.260 -1.535 1.00 91.93 13 A 1 ATOM 95 O OG1 . THR A 1 13 ? -3.645 -4.353 -2.247 1.00 85.77 13 A 1 ATOM 96 C CG2 . THR A 1 13 ? -5.285 -2.680 -2.413 1.00 84.99 13 A 1 ATOM 97 N N . CYS A 1 14 ? -3.827 -1.170 0.862 1.00 90.33 14 A 1 ATOM 98 C CA . CYS A 1 14 ? -4.279 -0.063 1.706 1.00 90.45 14 A 1 ATOM 99 C C . CYS A 1 14 ? -3.278 1.099 1.721 1.00 91.08 14 A 1 ATOM 100 O O . CYS A 1 14 ? -3.692 2.254 1.664 1.00 88.09 14 A 1 ATOM 101 C CB . CYS A 1 14 ? -4.519 -0.567 3.135 1.00 88.65 14 A 1 ATOM 102 S SG . CYS A 1 14 ? -5.962 -1.663 3.201 1.00 82.78 14 A 1 ATOM 103 N N . LEU A 1 15 ? -1.975 0.810 1.766 1.00 92.43 15 A 1 ATOM 104 C CA . LEU A 1 15 ? -0.926 1.831 1.708 1.00 91.67 15 A 1 ATOM 105 C C . LEU A 1 15 ? -0.925 2.563 0.362 1.00 92.47 15 A 1 ATOM 106 O O . LEU A 1 15 ? -0.862 3.792 0.344 1.00 91.52 15 A 1 ATOM 107 C CB . LEU A 1 15 ? 0.444 1.185 1.968 1.00 91.39 15 A 1 ATOM 108 C CG . LEU A 1 15 ? 0.703 0.833 3.445 1.00 86.10 15 A 1 ATOM 109 C CD1 . LEU A 1 15 ? 1.970 -0.019 3.546 1.00 83.63 15 A 1 ATOM 110 C CD2 . LEU A 1 15 ? 0.892 2.083 4.306 1.00 84.66 15 A 1 ATOM 111 N N . LEU A 1 16 ? -1.060 1.836 -0.749 1.00 91.93 16 A 1 ATOM 112 C CA . LEU A 1 16 ? -1.157 2.433 -2.082 1.00 91.56 16 A 1 ATOM 113 C C . LEU A 1 16 ? -2.395 3.322 -2.202 1.00 91.95 16 A 1 ATOM 114 O O . LEU A 1 16 ? -2.279 4.477 -2.609 1.00 91.14 16 A 1 ATOM 115 C CB . LEU A 1 16 ? -1.174 1.329 -3.149 1.00 91.04 16 A 1 ATOM 116 C CG . LEU A 1 16 ? 0.187 0.655 -3.385 1.00 86.83 16 A 1 ATOM 117 C CD1 . LEU A 1 16 ? -0.002 -0.535 -4.327 1.00 84.24 16 A 1 ATOM 118 C CD2 . LEU A 1 16 ? 1.204 1.609 -4.011 1.00 84.79 16 A 1 ATOM 119 N N . LEU A 1 17 ? -3.569 2.843 -1.778 1.00 92.35 17 A 1 ATOM 120 C CA . LEU A 1 17 ? -4.800 3.639 -1.777 1.00 91.62 17 A 1 ATOM 121 C C . LEU A 1 17 ? -4.656 4.901 -0.922 1.00 92.26 17 A 1 ATOM 122 O O . LEU A 1 17 ? -5.064 5.979 -1.349 1.00 91.51 17 A 1 ATOM 123 C CB . LEU A 1 17 ? -5.962 2.774 -1.262 1.00 90.86 17 A 1 ATOM 124 C CG . LEU A 1 17 ? -6.542 1.837 -2.337 1.00 85.81 17 A 1 ATOM 125 C CD1 . LEU A 1 17 ? -7.402 0.761 -1.673 1.00 82.56 17 A 1 ATOM 126 C CD2 . LEU A 1 17 ? -7.417 2.602 -3.325 1.00 83.58 17 A 1 ATOM 127 N N . SER A 1 18 ? -4.041 4.795 0.258 1.00 90.98 18 A 1 ATOM 128 C CA . SER A 1 18 ? -3.794 5.941 1.133 1.00 90.27 18 A 1 ATOM 129 C C . SER A 1 18 ? -2.838 6.944 0.486 1.00 90.18 18 A 1 ATOM 130 O O . SER A 1 18 ? -3.095 8.142 0.553 1.00 88.26 18 A 1 ATOM 131 C CB . SER A 1 18 ? -3.234 5.494 2.484 1.00 88.70 18 A 1 ATOM 132 O OG . SER A 1 18 ? -4.124 4.605 3.132 1.00 80.32 18 A 1 ATOM 133 N N . ALA A 1 19 ? -1.780 6.486 -0.189 1.00 92.26 19 A 1 ATOM 134 C CA . ALA A 1 19 ? -0.859 7.359 -0.912 1.00 91.68 19 A 1 ATOM 135 C C . ALA A 1 19 ? -1.579 8.117 -2.041 1.00 91.85 19 A 1 ATOM 136 O O . ALA A 1 19 ? -1.487 9.340 -2.105 1.00 89.74 19 A 1 ATOM 137 C CB . ALA A 1 19 ? 0.322 6.528 -1.430 1.00 90.80 19 A 1 ATOM 138 N N . PHE A 1 20 ? -2.381 7.419 -2.864 1.00 90.82 20 A 1 ATOM 139 C CA . PHE A 1 20 ? -3.163 8.044 -3.940 1.00 90.02 20 A 1 ATOM 140 C C . PHE A 1 20 ? -4.208 9.040 -3.425 1.00 90.71 20 A 1 ATOM 141 O O . PHE A 1 20 ? -4.489 10.035 -4.098 1.00 88.97 20 A 1 ATOM 142 C CB . PHE A 1 20 ? -3.855 6.954 -4.771 1.00 89.58 20 A 1 ATOM 143 C CG . PHE A 1 20 ? -2.966 6.343 -5.839 1.00 87.22 20 A 1 ATOM 144 C CD1 . PHE A 1 20 ? -2.621 7.103 -6.967 1.00 83.45 20 A 1 ATOM 145 C CD2 . PHE A 1 20 ? -2.486 5.032 -5.711 1.00 83.84 20 A 1 ATOM 146 C CE1 . PHE A 1 20 ? -1.790 6.566 -7.964 1.00 81.74 20 A 1 ATOM 147 C CE2 . PHE A 1 20 ? -1.651 4.490 -6.706 1.00 82.19 20 A 1 ATOM 148 C CZ . PHE A 1 20 ? -1.302 5.258 -7.827 1.00 82.89 20 A 1 ATOM 149 N N . LEU A 1 21 ? -4.801 8.806 -2.241 1.00 90.98 21 A 1 ATOM 150 C CA . LEU A 1 21 ? -5.791 9.706 -1.642 1.00 90.54 21 A 1 ATOM 151 C C . LEU A 1 21 ? -5.144 10.878 -0.889 1.00 90.68 21 A 1 ATOM 152 O O . LEU A 1 21 ? -5.764 11.937 -0.779 1.00 89.27 21 A 1 ATOM 153 C CB . LEU A 1 21 ? -6.711 8.896 -0.714 1.00 90.03 21 A 1 ATOM 154 C CG . LEU A 1 21 ? -7.663 7.929 -1.451 1.00 86.78 21 A 1 ATOM 155 C CD1 . LEU A 1 21 ? -8.364 7.028 -0.431 1.00 82.49 21 A 1 ATOM 156 C CD2 . LEU A 1 21 ? -8.737 8.671 -2.245 1.00 82.25 21 A 1 ATOM 157 N N . CYS A 1 22 ? -3.926 10.711 -0.370 1.00 84.95 22 A 1 ATOM 158 C CA . CYS A 1 22 ? -3.215 11.751 0.380 1.00 84.30 22 A 1 ATOM 159 C C . CYS A 1 22 ? -2.373 12.671 -0.517 1.00 84.47 22 A 1 ATOM 160 O O . CYS A 1 22 ? -2.202 13.839 -0.163 1.00 83.30 22 A 1 ATOM 161 C CB . CYS A 1 22 ? -2.351 11.107 1.475 1.00 82.41 22 A 1 ATOM 162 S SG . CYS A 1 22 ? -3.376 10.382 2.776 1.00 76.67 22 A 1 ATOM 163 N N . GLU A 1 23 ? -1.875 12.199 -1.670 1.00 80.73 23 A 1 ATOM 164 C CA . GLU A 1 23 ? -1.130 13.047 -2.624 1.00 81.29 23 A 1 ATOM 165 C C . GLU A 1 23 ? -1.908 14.296 -3.086 1.00 79.83 23 A 1 ATOM 166 O O . GLU A 1 23 ? -1.330 15.384 -3.074 1.00 78.48 23 A 1 ATOM 167 C CB . GLU A 1 23 ? -0.635 12.229 -3.831 1.00 79.46 23 A 1 ATOM 168 C CG . GLU A 1 23 ? 0.864 11.940 -3.727 1.00 70.80 23 A 1 ATOM 169 C CD . GLU A 1 23 ? 1.404 11.226 -4.970 1.00 68.45 23 A 1 ATOM 170 O OE1 . GLU A 1 23 ? 1.803 11.922 -5.921 1.00 62.95 23 A 1 ATOM 171 O OE2 . GLU A 1 23 ? 1.426 9.975 -4.964 1.00 63.87 23 A 1 ATOM 172 N N . PRO A 1 24 ? -3.218 14.238 -3.436 1.00 83.22 24 A 1 ATOM 173 C CA . PRO A 1 24 ? -3.939 15.435 -3.883 1.00 83.64 24 A 1 ATOM 174 C C . PRO A 1 24 ? -4.323 16.396 -2.746 1.00 83.60 24 A 1 ATOM 175 O O . PRO A 1 24 ? -4.734 17.520 -3.023 1.00 78.82 24 A 1 ATOM 176 C CB . PRO A 1 24 ? -5.173 14.901 -4.620 1.00 80.96 24 A 1 ATOM 177 C CG . PRO A 1 24 ? -5.448 13.563 -3.944 1.00 78.66 24 A 1 ATOM 178 C CD . PRO A 1 24 ? -4.045 13.059 -3.619 1.00 81.72 24 A 1 ATOM 179 N N . VAL A 1 25 ? -4.226 15.989 -1.484 1.00 82.02 25 A 1 ATOM 180 C CA . VAL A 1 25 ? -4.592 16.825 -0.319 1.00 82.07 25 A 1 ATOM 181 C C . VAL A 1 25 ? -3.400 17.644 0.190 1.00 81.88 25 A 1 ATOM 182 O O . VAL A 1 25 ? -3.586 18.639 0.896 1.00 80.00 25 A 1 ATOM 183 C CB . VAL A 1 25 ? -5.214 15.953 0.797 1.00 79.71 25 A 1 ATOM 184 C CG1 . VAL A 1 25 ? -5.688 16.765 2.008 1.00 70.85 25 A 1 ATOM 185 C CG2 . VAL A 1 25 ? -6.437 15.185 0.281 1.00 72.28 25 A 1 ATOM 186 N N . LEU A 1 26 ? -2.178 17.250 -0.177 1.00 78.19 26 A 1 ATOM 187 C CA . LEU A 1 26 ? -0.928 17.916 0.226 1.00 77.87 26 A 1 ATOM 188 C C . LEU A 1 26 ? -0.369 18.857 -0.852 1.00 77.86 26 A 1 ATOM 189 O O . LEU A 1 26 ? 0.731 19.385 -0.686 1.00 76.64 26 A 1 ATOM 190 C CB . LEU A 1 26 ? 0.073 16.839 0.690 1.00 75.85 26 A 1 ATOM 191 C CG . LEU A 1 26 ? 0.046 16.648 2.216 1.00 69.89 26 A 1 ATOM 192 C CD1 . LEU A 1 26 ? 0.286 15.182 2.585 1.00 66.25 26 A 1 ATOM 193 C CD2 . LEU A 1 26 ? 1.139 17.483 2.888 1.00 65.74 26 A 1 ATOM 194 N N . SER A 1 27 ? -1.102 19.080 -1.949 1.00 77.30 27 A 1 ATOM 195 C CA . SER A 1 27 ? -0.764 20.040 -3.005 1.00 76.76 27 A 1 ATOM 196 C C . SER A 1 27 ? -1.625 21.291 -2.929 1.00 71.74 27 A 1 ATOM 197 O O . SER A 1 27 ? -2.802 21.181 -2.530 1.00 65.89 27 A 1 ATOM 198 C CB . SER A 1 27 ? -0.865 19.390 -4.378 1.00 70.37 27 A 1 ATOM 199 O OG . SER A 1 27 ? -0.224 20.229 -5.327 1.00 62.82 27 A 1 ATOM 200 O OXT . SER A 1 27 ? -1.108 22.362 -3.281 1.00 62.28 27 A 1 #