data_ma-asfv-asfvg-024 _entry.id ma-asfv-asfvg-024 _entry.ma_collection_id ma-asfv-asfvg _struct.entry_id ma-asfv-asfvg-024 _struct.pdbx_model_details 'Model generated using AlphaFold (v2.2.0) producing 5 models with 3 recycles each, with AMBER relaxation, using templates, ranked by pLDDT, starting from an MSA with full_dbs setting.' _struct.pdbx_structure_determination_methodology computational _struct.title 'AlphaFold model for ASFV-G ASFV G ACD 00600' _audit_conform.dict_location https://raw.githubusercontent.com/ihmwg/ModelCIF/557bda7/base/mmcif_ma-core.dic _audit_conform.dict_name mmcif_ma.dic _audit_conform.dict_version 1.4.1 loop_ _citation.id _citation.title _citation.journal_abbrev _citation.journal_volume _citation.page_first _citation.page_last _citation.year _citation.pdbx_database_id_PubMed _citation.pdbx_database_id_DOI 1 'Highly accurate protein structure prediction with AlphaFold.' Nature 596 583 589 2021 34265844 10.1038/s41586-021-03819-2 loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal 1 'Jumper, J.' 1 1 'Evans, R.' 2 1 'Pritzel, A.' 3 1 'Green, T.' 4 1 'Figurnov, M.' 5 1 'Ronneberger, O.' 6 1 'Tunyasuvunakool, K.' 7 1 'Bates, R.' 8 1 'Zidek, A.' 9 1 'Potapenko, A.' 10 1 'Bridgland, A.' 11 1 'Meyer, C.' 12 1 'Kohl, S.A.A.' 13 1 'Ballard, A.J.' 14 1 'Cowie, A.' 15 1 'Romera-Paredes, B.' 16 1 'Nikolov, S.' 17 1 'Jain, R.' 18 1 'Adler, J.' 19 1 'Back, T.' 20 1 'Petersen, S.' 21 1 'Reiman, D.' 22 1 'Clancy, E.' 23 1 'Zielinski, M.' 24 1 'Steinegger, M.' 25 1 'Pacholska, M.' 26 1 'Berghammer, T.' 27 1 'Bodenstein, S.' 28 1 'Silver, D.' 29 1 'Vinyals, O.' 30 1 'Senior, A.W.' 31 1 'Kavukcuoglu, K.' 32 1 'Kohli, P.' 33 1 'Hassabis, D.' 34 loop_ _software.pdbx_ordinal _software.name _software.classification _software.description _software.version _software.type _software.location _software.citation_id 1 AlphaFold 'model building' 'Structure prediction' 2.2.0 package https://github.com/deepmind/alphafold 1 loop_ _ma_software_parameter.parameter_id _ma_software_parameter.group_id _ma_software_parameter.data_type _ma_software_parameter.name _ma_software_parameter.value _ma_software_parameter.description 1 1 string model_preset monomer . 2 1 string db_preset full_dbs . 3 1 boolean use_gpu_relax YES . 4 1 string max_template_date 2020-05-14 . loop_ _ma_software_group.ordinal_id _ma_software_group.group_id _ma_software_group.software_id _ma_software_group.parameter_group_id 1 1 1 1 loop_ _audit_author.name _audit_author.pdbx_ordinal 'Spinard, Edward' 1 'Azzinaro, Paul' 2 'Rai, Ayushi' 3 'Espinoza, Nallely' 4 'Ramirez-Medina, Elizabeth' 5 'Valladares, Alyssa' 6 'Borca, Manuel' 7 'Gladue, Douglas' 8 loop_ _chem_comp.id _chem_comp.type _chem_comp.name _chem_comp.formula _chem_comp.formula_weight _chem_comp.ma_provenance ARG 'L-peptide linking' ARGININE 'C6 H15 N4 O2 1' 175.212 'CCD Core' ASN 'L-peptide linking' ASPARAGINE 'C4 H8 N2 O3' 132.119 'CCD Core' ASP 'L-peptide linking' 'ASPARTIC ACID' 'C4 H7 N O4' 133.103 'CCD Core' CYS 'L-peptide linking' CYSTEINE 'C3 H7 N O2 S' 121.154 'CCD Core' GLN 'L-peptide linking' GLUTAMINE 'C5 H10 N2 O3' 146.146 'CCD Core' GLU 'L-peptide linking' 'GLUTAMIC ACID' 'C5 H9 N O4' 147.130 'CCD Core' GLY 'peptide linking' GLYCINE 'C2 H5 N O2' 75.067 'CCD Core' HIS 'L-peptide linking' HISTIDINE 'C6 H10 N3 O2 1' 156.165 'CCD Core' ILE 'L-peptide linking' ISOLEUCINE 'C6 H13 N O2' 131.175 'CCD Core' LEU 'L-peptide linking' LEUCINE 'C6 H13 N O2' 131.175 'CCD Core' LYS 'L-peptide linking' LYSINE 'C6 H15 N2 O2 1' 147.198 'CCD Core' MET 'L-peptide linking' METHIONINE 'C5 H11 N O2 S' 149.208 'CCD Core' PHE 'L-peptide linking' PHENYLALANINE 'C9 H11 N O2' 165.192 'CCD Core' PRO 'L-peptide linking' PROLINE 'C5 H9 N O2' 115.132 'CCD Core' SER 'L-peptide linking' SERINE 'C3 H7 N O3' 105.093 'CCD Core' THR 'L-peptide linking' THREONINE 'C4 H9 N O3' 119.120 'CCD Core' TYR 'L-peptide linking' TYROSINE 'C9 H11 N O3' 181.191 'CCD Core' loop_ _entity.id _entity.type _entity.src_method _entity.pdbx_description _entity.formula_weight _entity.pdbx_number_of_molecules _entity.details 1 polymer nat 'ASFV-G ASFV G ACD 00600 protein' 6763.759 1 . loop_ _entity_src_nat.entity_id _entity_src_nat.pdbx_src_id _entity_src_nat.pdbx_ncbi_taxonomy_id _entity_src_nat.pdbx_organism_scientific _entity_src_nat.common_name _entity_src_nat.strain 1 1 10497 'African swine fever virus (ASFV)' . . loop_ _ma_target_ref_db_details.target_entity_id _ma_target_ref_db_details.db_name _ma_target_ref_db_details.db_name_other_details _ma_target_ref_db_details.db_code _ma_target_ref_db_details.db_accession _ma_target_ref_db_details.seq_db_isoform _ma_target_ref_db_details.seq_db_align_begin _ma_target_ref_db_details.seq_db_align_end _ma_target_ref_db_details.ncbi_taxonomy_id _ma_target_ref_db_details.organism_scientific _ma_target_ref_db_details.seq_db_sequence_version_date _ma_target_ref_db_details.seq_db_sequence_checksum 1 UNP . A0A2X0RU77_ASF A0A2X0RU77 . 1 50 10497 'African swine fever virus (ASFV)' 2018-09-12 D55FD405DA280DE7 1 NCBI . CAD2068394.1 1886136919 . 1 50 10497 'African swine fever virus (ASFV)' 2020-08-05 . loop_ _entity_poly.entity_id _entity_poly.type _entity_poly.nstd_linkage _entity_poly.nstd_monomer _entity_poly.pdbx_strand_id _entity_poly.pdbx_seq_one_letter_code _entity_poly.pdbx_seq_one_letter_code_can 1 polypeptide(L) no no A MSGFMNSLRKCIGNINSHLEGFMRTYLLRIIRKIKPTTQPSIEDDHYKCL MSGFMNSLRKCIGNINSHLEGFMRTYLLRIIRKIKPTTQPSIEDDHYKCL loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 MET . 1 2 SER . 1 3 GLY . 1 4 PHE . 1 5 MET . 1 6 ASN . 1 7 SER . 1 8 LEU . 1 9 ARG . 1 10 LYS . 1 11 CYS . 1 12 ILE . 1 13 GLY . 1 14 ASN . 1 15 ILE . 1 16 ASN . 1 17 SER . 1 18 HIS . 1 19 LEU . 1 20 GLU . 1 21 GLY . 1 22 PHE . 1 23 MET . 1 24 ARG . 1 25 THR . 1 26 TYR . 1 27 LEU . 1 28 LEU . 1 29 ARG . 1 30 ILE . 1 31 ILE . 1 32 ARG . 1 33 LYS . 1 34 ILE . 1 35 LYS . 1 36 PRO . 1 37 THR . 1 38 THR . 1 39 GLN . 1 40 PRO . 1 41 SER . 1 42 ILE . 1 43 GLU . 1 44 ASP . 1 45 ASP . 1 46 HIS . 1 47 TYR . 1 48 LYS . 1 49 CYS . 1 50 LEU . loop_ _struct_asym.id _struct_asym.entity_id _struct_asym.details A 1 . loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.seq_id _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.pdb_mon_id _pdbx_poly_seq_scheme.auth_mon_id _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.pdb_ins_code A 1 1 MET 1 1 MET MET A . A 1 2 SER 2 2 SER SER A . A 1 3 GLY 3 3 GLY GLY A . A 1 4 PHE 4 4 PHE PHE A . A 1 5 MET 5 5 MET MET A . A 1 6 ASN 6 6 ASN ASN A . A 1 7 SER 7 7 SER SER A . A 1 8 LEU 8 8 LEU LEU A . A 1 9 ARG 9 9 ARG ARG A . A 1 10 LYS 10 10 LYS LYS A . A 1 11 CYS 11 11 CYS CYS A . A 1 12 ILE 12 12 ILE ILE A . A 1 13 GLY 13 13 GLY GLY A . A 1 14 ASN 14 14 ASN ASN A . A 1 15 ILE 15 15 ILE ILE A . A 1 16 ASN 16 16 ASN ASN A . A 1 17 SER 17 17 SER SER A . A 1 18 HIS 18 18 HIS HIS A . A 1 19 LEU 19 19 LEU LEU A . A 1 20 GLU 20 20 GLU GLU A . A 1 21 GLY 21 21 GLY GLY A . A 1 22 PHE 22 22 PHE PHE A . A 1 23 MET 23 23 MET MET A . A 1 24 ARG 24 24 ARG ARG A . A 1 25 THR 25 25 THR THR A . A 1 26 TYR 26 26 TYR TYR A . A 1 27 LEU 27 27 LEU LEU A . A 1 28 LEU 28 28 LEU LEU A . A 1 29 ARG 29 29 ARG ARG A . A 1 30 ILE 30 30 ILE ILE A . A 1 31 ILE 31 31 ILE ILE A . A 1 32 ARG 32 32 ARG ARG A . A 1 33 LYS 33 33 LYS LYS A . A 1 34 ILE 34 34 ILE ILE A . A 1 35 LYS 35 35 LYS LYS A . A 1 36 PRO 36 36 PRO PRO A . A 1 37 THR 37 37 THR THR A . A 1 38 THR 38 38 THR THR A . A 1 39 GLN 39 39 GLN GLN A . A 1 40 PRO 40 40 PRO PRO A . A 1 41 SER 41 41 SER SER A . A 1 42 ILE 42 42 ILE ILE A . A 1 43 GLU 43 43 GLU GLU A . A 1 44 ASP 44 44 ASP ASP A . A 1 45 ASP 45 45 ASP ASP A . A 1 46 HIS 46 46 HIS HIS A . A 1 47 TYR 47 47 TYR TYR A . A 1 48 LYS 48 48 LYS LYS A . A 1 49 CYS 49 49 CYS CYS A . A 1 50 LEU 50 50 LEU LEU A . loop_ _ma_data.id _ma_data.name _ma_data.content_type _ma_data.content_type_other_details 1 'ASFV-G ASFV G ACD 00600 protein' target . 2 'Model 3 (top ranked model)' 'model coordinates' . 3 BFD 'reference database' . 4 MGnify 'reference database' . 5 Uniclust30 'reference database' . 8 UniRef90 'reference database' . 9 PDB70 'reference database' . loop_ _ma_data_group.ordinal_id _ma_data_group.group_id _ma_data_group.data_id 1 1 1 2 1 3 3 1 4 4 1 5 7 1 8 8 1 9 9 2 2 loop_ _ma_data_ref_db.data_id _ma_data_ref_db.name _ma_data_ref_db.location_url _ma_data_ref_db.version _ma_data_ref_db.release_date 3 BFD https://storage.googleapis.com/alphafold-databases/casp14_versions/bfd_metaclust_clu_complete_id30_c90_final_seq.sorted_opt.tar.gz 6a634dc6eb105c2e9b4cba7bbae93412 . 4 MGnify https://storage.googleapis.com/alphafold-databases/casp14_versions/mgy_clusters_2018_12.fa.gz 2018_12 2018-12-06 5 Uniclust30 https://storage.googleapis.com/alphafold-databases/casp14_versions/uniclust30_2018_08_hhsuite.tar.gz 2018_08 . 8 UniRef90 ftp://ftp.uniprot.org/pub/databases/uniprot/uniref/uniref90/uniref90.fasta.gz 2022_01 2022-02-23 9 PDB70 http://wwwuser.gwdg.de/~compbiol/data/hhsuite/databases/hhsuite_dbs/old-releases/pdb70_from_mmcif_200401.tar.gz . 2020-04-01 loop_ _ma_target_entity.entity_id _ma_target_entity.data_id _ma_target_entity.origin 1 1 'reference database' loop_ _ma_target_entity_instance.asym_id _ma_target_entity_instance.entity_id _ma_target_entity_instance.details A 1 . loop_ _ma_protocol_step.ordinal_id _ma_protocol_step.protocol_id _ma_protocol_step.step_id _ma_protocol_step.method_type _ma_protocol_step.step_name _ma_protocol_step.details _ma_protocol_step.software_group_id _ma_protocol_step.input_data_group_id _ma_protocol_step.output_data_group_id 1 1 1 modeling . 'Model generated using AlphaFold (v2.2.0) producing 5 models with 3 recycles each, with AMBER relaxation, using templates, ranked by pLDDT, starting from an MSA with full_dbs setting.' 1 1 2 loop_ _ma_model_list.ordinal_id _ma_model_list.model_id _ma_model_list.model_group_id _ma_model_list.model_name _ma_model_list.model_group_name _ma_model_list.data_id _ma_model_list.model_type _ma_model_list.model_type_other_details 1 1 1 'Model 3 (top ranked model)' . 2 'Ab initio model' . 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_seq_id _atom_site.auth_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.label_asym_id _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.label_entity_id _atom_site.auth_asym_id _atom_site.B_iso_or_equiv _atom_site.pdbx_PDB_model_num ATOM 1 N N . MET 1 1 ? A 21.888 5.228 -23.154 1.000 1 A 60.980 1 ATOM 2 C CA . MET 1 1 ? A 20.472 4.934 -22.816 1.000 1 A 60.980 1 ATOM 3 C C . MET 1 1 ? A 20.303 3.932 -21.662 1.000 1 A 60.980 1 ATOM 4 O O . MET 1 1 ? A 19.351 4.081 -20.907 1.000 1 A 60.980 1 ATOM 5 C CB . MET 1 1 ? A 19.680 4.527 -24.065 1.000 1 A 60.980 1 ATOM 6 C CG . MET 1 1 ? A 19.408 5.761 -24.938 1.000 1 A 60.980 1 ATOM 7 S SD . MET 1 1 ? A 18.628 5.360 -26.515 1.000 1 A 60.980 1 ATOM 8 C CE . MET 1 1 ? A 18.228 7.023 -27.125 1.000 1 A 60.980 1 ATOM 9 H H . MET 1 1 ? A 21.924 5.953 -23.857 1.000 1 A 60.980 1 ATOM 10 H H2 . MET 1 1 ? A 22.394 5.549 -22.341 1.000 1 A 60.980 1 ATOM 11 H HA . MET 1 1 ? A 20.014 5.853 -22.452 1.000 1 A 60.980 1 ATOM 12 H HB2 . MET 1 1 ? A 20.235 3.780 -24.632 1.000 1 A 60.980 1 ATOM 13 H HB3 . MET 1 1 ? A 18.722 4.100 -23.768 1.000 1 A 60.980 1 ATOM 14 H HG2 . MET 1 1 ? A 18.752 6.439 -24.392 1.000 1 A 60.980 1 ATOM 15 H HG3 . MET 1 1 ? A 20.342 6.279 -25.150 1.000 1 A 60.980 1 ATOM 16 H HE1 . MET 1 1 ? A 17.747 6.944 -28.100 1.000 1 A 60.980 1 ATOM 17 H HE2 . MET 1 1 ? A 17.545 7.517 -26.434 1.000 1 A 60.980 1 ATOM 18 H HE3 . MET 1 1 ? A 19.139 7.613 -27.225 1.000 1 A 60.980 1 ATOM 19 H H3 . MET 1 1 ? A 22.339 4.409 -23.535 1.000 1 A 60.980 1 ATOM 20 N N . SER 2 2 ? A 21.214 2.973 -21.441 1.000 1 A 76.360 1 ATOM 21 C CA . SER 2 2 ? A 21.060 1.943 -20.389 1.000 1 A 76.360 1 ATOM 22 C C . SER 2 2 ? A 21.062 2.470 -18.943 1.000 1 A 76.360 1 ATOM 23 O O . SER 2 2 ? A 20.352 1.939 -18.094 1.000 1 A 76.360 1 ATOM 24 C CB . SER 2 2 ? A 22.152 0.874 -20.547 1.000 1 A 76.360 1 ATOM 25 O OG . SER 2 2 ? A 22.302 0.561 -21.920 1.000 1 A 76.360 1 ATOM 26 H H . SER 2 2 ? A 21.890 2.727 -22.149 1.000 1 A 76.360 1 ATOM 27 H HA . SER 2 2 ? A 20.101 1.447 -20.541 1.000 1 A 76.360 1 ATOM 28 H HB2 . SER 2 2 ? A 21.868 -0.018 -19.988 1.000 1 A 76.360 1 ATOM 29 H HB3 . SER 2 2 ? A 23.100 1.250 -20.161 1.000 1 A 76.360 1 ATOM 30 H HG . SER 2 2 ? A 22.732 -0.292 -22.009 1.000 1 A 76.360 1 ATOM 31 N N . GLY 3 3 ? A 21.810 3.544 -18.653 1.000 1 A 86.160 1 ATOM 32 C CA . GLY 3 3 ? A 21.865 4.134 -17.307 1.000 1 A 86.160 1 ATOM 33 C C . GLY 3 3 ? A 20.525 4.708 -16.836 1.000 1 A 86.160 1 ATOM 34 O O . GLY 3 3 ? A 20.105 4.440 -15.714 1.000 1 A 86.160 1 ATOM 35 H H . GLY 3 3 ? A 22.427 3.912 -19.363 1.000 1 A 86.160 1 ATOM 36 H HA2 . GLY 3 3 ? A 22.600 4.940 -17.297 1.000 1 A 86.160 1 ATOM 37 H HA3 . GLY 3 3 ? A 22.180 3.375 -16.591 1.000 1 A 86.160 1 ATOM 38 N N . PHE 4 4 ? A 19.814 5.422 -17.715 1.000 1 A 87.320 1 ATOM 39 C CA . PHE 4 4 ? A 18.512 6.016 -17.396 1.000 1 A 87.320 1 ATOM 40 C C . PHE 4 4 ? A 17.460 4.950 -17.061 1.000 1 A 87.320 1 ATOM 41 O O . PHE 4 4 ? A 16.792 5.058 -16.037 1.000 1 A 87.320 1 ATOM 42 C CB . PHE 4 4 ? A 18.058 6.904 -18.561 1.000 1 A 87.320 1 ATOM 43 C CG . PHE 4 4 ? A 16.715 7.565 -18.317 1.000 1 A 87.320 1 ATOM 44 C CD1 . PHE 4 4 ? A 15.546 7.030 -18.892 1.000 1 A 87.320 1 ATOM 45 C CD2 . PHE 4 4 ? A 16.630 8.701 -17.488 1.000 1 A 87.320 1 ATOM 46 C CE1 . PHE 4 4 ? A 14.300 7.632 -18.644 1.000 1 A 87.320 1 ATOM 47 C CE2 . PHE 4 4 ? A 15.382 9.300 -17.241 1.000 1 A 87.320 1 ATOM 48 C CZ . PHE 4 4 ? A 14.218 8.767 -17.820 1.000 1 A 87.320 1 ATOM 49 H H . PHE 4 4 ? A 20.186 5.567 -18.642 1.000 1 A 87.320 1 ATOM 50 H HA . PHE 4 4 ? A 18.620 6.644 -16.511 1.000 1 A 87.320 1 ATOM 51 H HB2 . PHE 4 4 ? A 17.999 6.305 -19.470 1.000 1 A 87.320 1 ATOM 52 H HB3 . PHE 4 4 ? A 18.802 7.683 -18.724 1.000 1 A 87.320 1 ATOM 53 H HD1 . PHE 4 4 ? A 15.594 6.155 -19.523 1.000 1 A 87.320 1 ATOM 54 H HD2 . PHE 4 4 ? A 17.519 9.120 -17.043 1.000 1 A 87.320 1 ATOM 55 H HE1 . PHE 4 4 ? A 13.404 7.225 -19.089 1.000 1 A 87.320 1 ATOM 56 H HE2 . PHE 4 4 ? A 15.316 10.177 -16.613 1.000 1 A 87.320 1 ATOM 57 H HZ . PHE 4 4 ? A 13.261 9.233 -17.636 1.000 1 A 87.320 1 ATOM 58 N N . MET 5 5 ? A 17.369 3.876 -17.857 1.000 1 A 90.180 1 ATOM 59 C CA . MET 5 5 ? A 16.425 2.774 -17.608 1.000 1 A 90.180 1 ATOM 60 C C . MET 5 5 ? A 16.714 2.038 -16.292 1.000 1 A 90.180 1 ATOM 61 O O . MET 5 5 ? A 15.783 1.633 -15.598 1.000 1 A 90.180 1 ATOM 62 C CB . MET 5 5 ? A 16.447 1.778 -18.780 1.000 1 A 90.180 1 ATOM 63 C CG . MET 5 5 ? A 15.909 2.387 -20.080 1.000 1 A 90.180 1 ATOM 64 S SD . MET 5 5 ? A 14.180 2.934 -20.009 1.000 1 A 90.180 1 ATOM 65 C CE . MET 5 5 ? A 13.310 1.366 -20.286 1.000 1 A 90.180 1 ATOM 66 H H . MET 5 5 ? A 17.946 3.838 -18.685 1.000 1 A 90.180 1 ATOM 67 H HA . MET 5 5 ? A 15.421 3.189 -17.522 1.000 1 A 90.180 1 ATOM 68 H HB2 . MET 5 5 ? A 17.469 1.433 -18.944 1.000 1 A 90.180 1 ATOM 69 H HB3 . MET 5 5 ? A 15.834 0.914 -18.525 1.000 1 A 90.180 1 ATOM 70 H HG2 . MET 5 5 ? A 16.526 3.246 -20.344 1.000 1 A 90.180 1 ATOM 71 H HG3 . MET 5 5 ? A 16.008 1.655 -20.881 1.000 1 A 90.180 1 ATOM 72 H HE1 . MET 5 5 ? A 13.586 0.959 -21.259 1.000 1 A 90.180 1 ATOM 73 H HE2 . MET 5 5 ? A 12.235 1.545 -20.269 1.000 1 A 90.180 1 ATOM 74 H HE3 . MET 5 5 ? A 13.567 0.653 -19.503 1.000 1 A 90.180 1 ATOM 75 N N . ASN 6 6 ? A 17.988 1.905 -15.909 1.000 1 A 89.770 1 ATOM 76 C CA . ASN 6 6 ? A 18.369 1.330 -14.617 1.000 1 A 89.770 1 ATOM 77 C C . ASN 6 6 ? A 17.971 2.235 -13.447 1.000 1 A 89.770 1 ATOM 78 O O . ASN 6 6 ? A 17.434 1.742 -12.454 1.000 1 A 89.770 1 ATOM 79 C CB . ASN 6 6 ? A 19.879 1.045 -14.611 1.000 1 A 89.770 1 ATOM 80 C CG . ASN 6 6 ? A 20.243 -0.207 -15.385 1.000 1 A 89.770 1 ATOM 81 O OD1 . ASN 6 6 ? A 19.427 -1.069 -15.659 1.000 1 A 89.770 1 ATOM 82 N ND2 . ASN 6 6 ? A 21.503 -0.381 -15.707 1.000 1 A 89.770 1 ATOM 83 H H . ASN 6 6 ? A 18.717 2.220 -16.533 1.000 1 A 89.770 1 ATOM 84 H HA . ASN 6 6 ? A 17.831 0.393 -14.474 1.000 1 A 89.770 1 ATOM 85 H HB2 . ASN 6 6 ? A 20.208 0.888 -13.584 1.000 1 A 89.770 1 ATOM 86 H HB3 . ASN 6 6 ? A 20.422 1.898 -15.017 1.000 1 A 89.770 1 ATOM 87 H HD21 . ASN 6 6 ? A 21.721 -1.245 -16.182 1.000 1 A 89.770 1 ATOM 88 H HD22 . ASN 6 6 ? A 22.201 0.314 -15.481 1.000 1 A 89.770 1 ATOM 89 N N . SER 7 7 ? A 18.194 3.545 -13.560 1.000 1 A 91.580 1 ATOM 90 C CA . SER 7 7 ? A 17.739 4.516 -12.559 1.000 1 A 91.580 1 ATOM 91 C C . SER 7 7 ? A 16.216 4.525 -12.439 1.000 1 A 91.580 1 ATOM 92 O O . SER 7 7 ? A 15.694 4.487 -11.327 1.000 1 A 91.580 1 ATOM 93 C CB . SER 7 7 ? A 18.241 5.918 -12.906 1.000 1 A 91.580 1 ATOM 94 O OG . SER 7 7 ? A 19.654 5.933 -12.847 1.000 1 A 91.580 1 ATOM 95 H H . SER 7 7 ? A 18.696 3.896 -14.364 1.000 1 A 91.580 1 ATOM 96 H HA . SER 7 7 ? A 18.146 4.244 -11.585 1.000 1 A 91.580 1 ATOM 97 H HB2 . SER 7 7 ? A 17.908 6.198 -13.905 1.000 1 A 91.580 1 ATOM 98 H HB3 . SER 7 7 ? A 17.844 6.632 -12.183 1.000 1 A 91.580 1 ATOM 99 H HG . SER 7 7 ? A 19.957 6.830 -13.006 1.000 1 A 91.580 1 ATOM 100 N N . LEU 8 8 ? A 15.502 4.482 -13.568 1.000 1 A 92.670 1 ATOM 101 C CA . LEU 8 8 ? A 14.044 4.396 -13.599 1.000 1 A 92.670 1 ATOM 102 C C . LEU 8 8 ? A 13.550 3.106 -12.933 1.000 1 A 92.670 1 ATOM 103 O O . LEU 8 8 ? A 12.670 3.160 -12.080 1.000 1 A 92.670 1 ATOM 104 C CB . LEU 8 8 ? A 13.571 4.513 -15.059 1.000 1 A 92.670 1 ATOM 105 C CG . LEU 8 8 ? A 12.039 4.513 -15.218 1.000 1 A 92.670 1 ATOM 106 C CD1 . LEU 8 8 ? A 11.392 5.731 -14.557 1.000 1 A 92.670 1 ATOM 107 C CD2 . LEU 8 8 ? A 11.679 4.509 -16.702 1.000 1 A 92.670 1 ATOM 108 H H . LEU 8 8 ? A 15.989 4.558 -14.449 1.000 1 A 92.670 1 ATOM 109 H HA . LEU 8 8 ? A 13.645 5.236 -13.030 1.000 1 A 92.670 1 ATOM 110 H HB2 . LEU 8 8 ? A 13.967 5.433 -15.488 1.000 1 A 92.670 1 ATOM 111 H HB3 . LEU 8 8 ? A 13.978 3.677 -15.628 1.000 1 A 92.670 1 ATOM 112 H HG . LEU 8 8 ? A 11.631 3.606 -14.773 1.000 1 A 92.670 1 ATOM 113 H HD11 . LEU 8 8 ? A 11.511 5.684 -13.475 1.000 1 A 92.670 1 ATOM 114 H HD12 . LEU 8 8 ? A 11.837 6.650 -14.938 1.000 1 A 92.670 1 ATOM 115 H HD13 . LEU 8 8 ? A 10.323 5.740 -14.774 1.000 1 A 92.670 1 ATOM 116 H HD21 . LEU 8 8 ? A 10.595 4.472 -16.816 1.000 1 A 92.670 1 ATOM 117 H HD22 . LEU 8 8 ? A 12.110 3.634 -17.189 1.000 1 A 92.670 1 ATOM 118 H HD23 . LEU 8 8 ? A 12.056 5.411 -17.183 1.000 1 A 92.670 1 ATOM 119 N N . ARG 9 9 ? A 14.159 1.954 -13.242 1.000 1 A 94.260 1 ATOM 120 C CA . ARG 9 9 ? A 13.823 0.671 -12.606 1.000 1 A 94.260 1 ATOM 121 C C . ARG 9 9 ? A 14.055 0.705 -11.094 1.000 1 A 94.260 1 ATOM 122 O O . ARG 9 9 ? A 13.208 0.223 -10.349 1.000 1 A 94.260 1 ATOM 123 C CB . ARG 9 9 ? A 14.614 -0.460 -13.282 1.000 1 A 94.260 1 ATOM 124 C CG . ARG 9 9 ? A 14.231 -1.841 -12.721 1.000 1 A 94.260 1 ATOM 125 C CD . ARG 9 9 ? A 15.032 -2.977 -13.366 1.000 1 A 94.260 1 ATOM 126 N NE . ARG 9 9 ? A 14.653 -3.208 -14.773 1.000 1 A 94.260 1 ATOM 127 C CZ . ARG 9 9 ? A 15.040 -4.225 -15.525 1.000 1 A 94.260 1 ATOM 128 N NH1 . ARG 9 9 ? A 15.859 -5.140 -15.086 1.000 1 A 94.260 1 ATOM 129 N NH2 . ARG 9 9 ? A 14.600 -4.350 -16.746 1.000 1 A 94.260 1 ATOM 130 H H . ARG 9 9 ? A 14.850 1.969 -13.979 1.000 1 A 94.260 1 ATOM 131 H HA . ARG 9 9 ? A 12.757 0.488 -12.743 1.000 1 A 94.260 1 ATOM 132 H HB2 . ARG 9 9 ? A 15.682 -0.295 -13.135 1.000 1 A 94.260 1 ATOM 133 H HB3 . ARG 9 9 ? A 14.406 -0.440 -14.351 1.000 1 A 94.260 1 ATOM 134 H HG2 . ARG 9 9 ? A 14.436 -1.866 -11.651 1.000 1 A 94.260 1 ATOM 135 H HG3 . ARG 9 9 ? A 13.165 -2.016 -12.868 1.000 1 A 94.260 1 ATOM 136 H HD2 . ARG 9 9 ? A 14.843 -3.884 -12.791 1.000 1 A 94.260 1 ATOM 137 H HD3 . ARG 9 9 ? A 16.095 -2.744 -13.302 1.000 1 A 94.260 1 ATOM 138 H HE . ARG 9 9 ? A 14.014 -2.546 -15.190 1.000 1 A 94.260 1 ATOM 139 H HH11 . ARG 9 9 ? A 16.193 -5.085 -14.135 1.000 1 A 94.260 1 ATOM 140 H HH12 . ARG 9 9 ? A 16.131 -5.916 -15.673 1.000 1 A 94.260 1 ATOM 141 H HH21 . ARG 9 9 ? A 13.936 -3.688 -17.122 1.000 1 A 94.260 1 ATOM 142 H HH22 . ARG 9 9 ? A 14.865 -5.152 -17.300 1.000 1 A 94.260 1 ATOM 143 N N . LYS 10 10 ? A 15.168 1.290 -10.636 1.000 1 A 93.480 1 ATOM 144 C CA . LYS 10 10 ? A 15.444 1.478 -9.201 1.000 1 A 93.480 1 ATOM 145 C C . LYS 10 10 ? A 14.405 2.385 -8.542 1.000 1 A 93.480 1 ATOM 146 O O . LYS 10 10 ? A 13.931 2.063 -7.458 1.000 1 A 93.480 1 ATOM 147 C CB . LYS 10 10 ? A 16.855 2.047 -8.994 1.000 1 A 93.480 1 ATOM 148 C CG . LYS 10 10 ? A 17.957 1.002 -9.220 1.000 1 A 93.480 1 ATOM 149 C CD . LYS 10 10 ? A 19.335 1.648 -9.021 1.000 1 A 93.480 1 ATOM 150 C CE . LYS 10 10 ? A 20.451 0.621 -9.240 1.000 1 A 93.480 1 ATOM 151 N NZ . LYS 10 10 ? A 21.786 1.198 -8.936 1.000 1 A 93.480 1 ATOM 152 H H . LYS 10 10 ? A 15.825 1.649 -11.314 1.000 1 A 93.480 1 ATOM 153 H HA . LYS 10 10 ? A 15.366 0.520 -8.686 1.000 1 A 93.480 1 ATOM 154 H HB2 . LYS 10 10 ? A 16.935 2.407 -7.968 1.000 1 A 93.480 1 ATOM 155 H HB3 . LYS 10 10 ? A 17.008 2.895 -9.661 1.000 1 A 93.480 1 ATOM 156 H HG2 . LYS 10 10 ? A 17.831 0.191 -8.504 1.000 1 A 93.480 1 ATOM 157 H HG3 . LYS 10 10 ? A 17.887 0.592 -10.227 1.000 1 A 93.480 1 ATOM 158 H HD2 . LYS 10 10 ? A 19.394 2.041 -8.006 1.000 1 A 93.480 1 ATOM 159 H HD3 . LYS 10 10 ? A 19.450 2.470 -9.727 1.000 1 A 93.480 1 ATOM 160 H HE2 . LYS 10 10 ? A 20.410 0.277 -10.274 1.000 1 A 93.480 1 ATOM 161 H HE3 . LYS 10 10 ? A 20.263 -0.236 -8.594 1.000 1 A 93.480 1 ATOM 162 H HZ1 . LYS 10 10 ? A 21.973 2.004 -9.516 1.000 1 A 93.480 1 ATOM 163 H HZ2 . LYS 10 10 ? A 22.516 0.515 -9.081 1.000 1 A 93.480 1 ATOM 164 H HZ3 . LYS 10 10 ? A 21.828 1.491 -7.970 1.000 1 A 93.480 1 ATOM 165 N N . CYS 11 11 ? A 14.022 3.473 -9.209 1.000 1 A 93.800 1 ATOM 166 C CA . CYS 11 11 ? A 12.992 4.391 -8.729 1.000 1 A 93.800 1 ATOM 167 C C . CYS 11 11 ? A 11.635 3.684 -8.586 1.000 1 A 93.800 1 ATOM 168 O O . CYS 11 11 ? A 11.041 3.713 -7.512 1.000 1 A 93.800 1 ATOM 169 C CB . CYS 11 11 ? A 12.928 5.590 -9.683 1.000 1 A 93.800 1 ATOM 170 S SG . CYS 11 11 ? A 11.828 6.846 -8.980 1.000 1 A 93.800 1 ATOM 171 H H . CYS 11 11 ? A 14.484 3.690 -10.081 1.000 1 A 93.800 1 ATOM 172 H HA . CYS 11 11 ? A 13.270 4.752 -7.739 1.000 1 A 93.800 1 ATOM 173 H HB2 . CYS 11 11 ? A 13.924 6.016 -9.807 1.000 1 A 93.800 1 ATOM 174 H HB3 . CYS 11 11 ? A 12.549 5.277 -10.656 1.000 1 A 93.800 1 ATOM 175 H HG . CYS 11 11 ? A 11.878 7.724 -9.986 1.000 1 A 93.800 1 ATOM 176 N N . ILE 12 12 ? A 11.196 2.965 -9.625 1.000 1 A 93.710 1 ATOM 177 C CA . ILE 12 12 ? A 9.945 2.191 -9.612 1.000 1 A 93.710 1 ATOM 178 C C . ILE 12 12 ? A 9.974 1.123 -8.512 1.000 1 A 93.710 1 ATOM 179 O O . ILE 12 12 ? A 9.006 0.986 -7.769 1.000 1 A 93.710 1 ATOM 180 C CB . ILE 12 12 ? A 9.683 1.574 -11.007 1.000 1 A 93.710 1 ATOM 181 C CG1 . ILE 12 12 ? A 9.394 2.685 -12.044 1.000 1 A 93.710 1 ATOM 182 C CG2 . ILE 12 12 ? A 8.501 0.586 -10.963 1.000 1 A 93.710 1 ATOM 183 C CD1 . ILE 12 12 ? A 9.439 2.198 -13.498 1.000 1 A 93.710 1 ATOM 184 H H . ILE 12 12 ? A 11.729 2.992 -10.482 1.000 1 A 93.710 1 ATOM 185 H HA . ILE 12 12 ? A 9.120 2.863 -9.376 1.000 1 A 93.710 1 ATOM 186 H HB . ILE 12 12 ? A 10.575 1.029 -11.316 1.000 1 A 93.710 1 ATOM 187 H HG12 . ILE 12 12 ? A 10.125 3.488 -11.947 1.000 1 A 93.710 1 ATOM 188 H HG13 . ILE 12 12 ? A 8.413 3.118 -11.845 1.000 1 A 93.710 1 ATOM 189 H HG21 . ILE 12 12 ? A 7.610 1.085 -10.584 1.000 1 A 93.710 1 ATOM 190 H HG22 . ILE 12 12 ? A 8.731 -0.262 -10.318 1.000 1 A 93.710 1 ATOM 191 H HG23 . ILE 12 12 ? A 8.288 0.186 -11.955 1.000 1 A 93.710 1 ATOM 192 H HD11 . ILE 12 12 ? A 9.321 3.053 -14.164 1.000 1 A 93.710 1 ATOM 193 H HD12 . ILE 12 12 ? A 10.397 1.718 -13.698 1.000 1 A 93.710 1 ATOM 194 H HD13 . ILE 12 12 ? A 8.629 1.497 -13.699 1.000 1 A 93.710 1 ATOM 195 N N . GLY 13 13 ? A 11.091 0.403 -8.360 1.000 1 A 93.760 1 ATOM 196 C CA . GLY 13 13 ? A 11.263 -0.576 -7.285 1.000 1 A 93.760 1 ATOM 197 C C . GLY 13 13 ? A 11.120 0.051 -5.896 1.000 1 A 93.760 1 ATOM 198 O O . GLY 13 13 ? A 10.393 -0.477 -5.061 1.000 1 A 93.760 1 ATOM 199 H H . GLY 13 13 ? A 11.849 0.539 -9.013 1.000 1 A 93.760 1 ATOM 200 H HA2 . GLY 13 13 ? A 10.516 -1.364 -7.385 1.000 1 A 93.760 1 ATOM 201 H HA3 . GLY 13 13 ? A 12.256 -1.019 -7.360 1.000 1 A 93.760 1 ATOM 202 N N . ASN 14 14 ? A 11.740 1.213 -5.670 1.000 1 A 93.940 1 ATOM 203 C CA . ASN 14 14 ? A 11.639 1.935 -4.402 1.000 1 A 93.940 1 ATOM 204 C C . ASN 14 14 ? A 10.208 2.425 -4.118 1.000 1 A 93.940 1 ATOM 205 O O . ASN 14 14 ? A 9.725 2.292 -2.995 1.000 1 A 93.940 1 ATOM 206 C CB . ASN 14 14 ? A 12.647 3.094 -4.421 1.000 1 A 93.940 1 ATOM 207 C CG . ASN 14 14 ? A 12.782 3.726 -3.049 1.000 1 A 93.940 1 ATOM 208 O OD1 . ASN 14 14 ? A 13.092 3.069 -2.075 1.000 1 A 93.940 1 ATOM 209 N ND2 . ASN 14 14 ? A 12.573 5.016 -2.926 1.000 1 A 93.940 1 ATOM 210 H H . ASN 14 14 ? A 12.315 1.608 -6.401 1.000 1 A 93.940 1 ATOM 211 H HA . ASN 14 14 ? A 11.907 1.254 -3.594 1.000 1 A 93.940 1 ATOM 212 H HB2 . ASN 14 14 ? A 12.338 3.844 -5.150 1.000 1 A 93.940 1 ATOM 213 H HB3 . ASN 14 14 ? A 13.630 2.720 -4.705 1.000 1 A 93.940 1 ATOM 214 H HD21 . ASN 14 14 ? A 12.634 5.380 -1.986 1.000 1 A 93.940 1 ATOM 215 H HD22 . ASN 14 14 ? A 12.269 5.573 -3.711 1.000 1 A 93.940 1 ATOM 216 N N . ILE 15 15 ? A 9.513 2.946 -5.136 1.000 1 A 93.960 1 ATOM 217 C CA . ILE 15 15 ? A 8.115 3.386 -5.021 1.000 1 A 93.960 1 ATOM 218 C C . ILE 15 15 ? A 7.208 2.204 -4.666 1.000 1 A 93.960 1 ATOM 219 O O . ILE 15 15 ? A 6.408 2.318 -3.741 1.000 1 A 93.960 1 ATOM 220 C CB . ILE 15 15 ? A 7.656 4.096 -6.317 1.000 1 A 93.960 1 ATOM 221 C CG1 . ILE 15 15 ? A 8.394 5.446 -6.476 1.000 1 A 93.960 1 ATOM 222 C CG2 . ILE 15 15 ? A 6.133 4.336 -6.313 1.000 1 A 93.960 1 ATOM 223 C CD1 . ILE 15 15 ? A 8.267 6.057 -7.878 1.000 1 A 93.960 1 ATOM 224 H H . ILE 15 15 ? A 9.970 3.032 -6.033 1.000 1 A 93.960 1 ATOM 225 H HA . ILE 15 15 ? A 8.039 4.097 -4.199 1.000 1 A 93.960 1 ATOM 226 H HB . ILE 15 15 ? A 7.899 3.459 -7.167 1.000 1 A 93.960 1 ATOM 227 H HG12 . ILE 15 15 ? A 8.012 6.156 -5.742 1.000 1 A 93.960 1 ATOM 228 H HG13 . ILE 15 15 ? A 9.457 5.314 -6.275 1.000 1 A 93.960 1 ATOM 229 H HG21 . ILE 15 15 ? A 5.839 4.897 -5.426 1.000 1 A 93.960 1 ATOM 230 H HG22 . ILE 15 15 ? A 5.823 4.884 -7.203 1.000 1 A 93.960 1 ATOM 231 H HG23 . ILE 15 15 ? A 5.599 3.385 -6.329 1.000 1 A 93.960 1 ATOM 232 H HD11 . ILE 15 15 ? A 8.881 6.956 -7.931 1.000 1 A 93.960 1 ATOM 233 H HD12 . ILE 15 15 ? A 8.617 5.345 -8.626 1.000 1 A 93.960 1 ATOM 234 H HD13 . ILE 15 15 ? A 7.235 6.335 -8.090 1.000 1 A 93.960 1 ATOM 235 N N . ASN 16 16 ? A 7.358 1.063 -5.343 1.000 1 A 92.860 1 ATOM 236 C CA . ASN 16 16 ? A 6.544 -0.123 -5.076 1.000 1 A 92.860 1 ATOM 237 C C . ASN 16 16 ? A 6.764 -0.663 -3.657 1.000 1 A 92.860 1 ATOM 238 O O . ASN 16 16 ? A 5.787 -0.913 -2.954 1.000 1 A 92.860 1 ATOM 239 C CB . ASN 16 16 ? A 6.831 -1.189 -6.144 1.000 1 A 92.860 1 ATOM 240 C CG . ASN 16 16 ? A 6.208 -0.858 -7.487 1.000 1 A 92.860 1 ATOM 241 O OD1 . ASN 16 16 ? A 5.268 -0.096 -7.617 1.000 1 A 92.860 1 ATOM 242 N ND2 . ASN 16 16 ? A 6.695 -1.456 -8.549 1.000 1 A 92.860 1 ATOM 243 H H . ASN 16 16 ? A 8.021 1.033 -6.104 1.000 1 A 92.860 1 ATOM 244 H HA . ASN 16 16 ? A 5.491 0.153 -5.135 1.000 1 A 92.860 1 ATOM 245 H HB2 . ASN 16 16 ? A 6.409 -2.139 -5.818 1.000 1 A 92.860 1 ATOM 246 H HB3 . ASN 16 16 ? A 7.908 -1.314 -6.257 1.000 1 A 92.860 1 ATOM 247 H HD21 . ASN 16 16 ? A 6.219 -1.253 -9.417 1.000 1 A 92.860 1 ATOM 248 H HD22 . ASN 16 16 ? A 7.439 -2.132 -8.452 1.000 1 A 92.860 1 ATOM 249 N N . SER 17 17 ? A 8.017 -0.756 -3.196 1.000 1 A 93.170 1 ATOM 250 C CA . SER 17 17 ? A 8.323 -1.161 -1.816 1.000 1 A 93.170 1 ATOM 251 C C . SER 17 17 ? A 7.719 -0.203 -0.783 1.000 1 A 93.170 1 ATOM 252 O O . SER 17 17 ? A 7.216 -0.629 0.257 1.000 1 A 93.170 1 ATOM 253 C CB . SER 17 17 ? A 9.838 -1.219 -1.606 1.000 1 A 93.170 1 ATOM 254 O OG . SER 17 17 ? A 10.420 -2.187 -2.457 1.000 1 A 93.170 1 ATOM 255 H H . SER 17 17 ? A 8.790 -0.603 -3.827 1.000 1 A 93.170 1 ATOM 256 H HA . SER 17 17 ? A 7.909 -2.153 -1.634 1.000 1 A 93.170 1 ATOM 257 H HB2 . SER 17 17 ? A 10.275 -0.242 -1.814 1.000 1 A 93.170 1 ATOM 258 H HB3 . SER 17 17 ? A 10.043 -1.487 -0.570 1.000 1 A 93.170 1 ATOM 259 H HG . SER 17 17 ? A 11.351 -2.271 -2.241 1.000 1 A 93.170 1 ATOM 260 N N . HIS 18 18 ? A 7.735 1.102 -1.067 1.000 1 A 92.540 1 ATOM 261 C CA . HIS 18 18 ? A 7.161 2.106 -0.176 1.000 1 A 92.540 1 ATOM 262 C C . HIS 18 18 ? A 5.626 2.039 -0.139 1.000 1 A 92.540 1 ATOM 263 O O . HIS 18 18 ? A 5.027 2.073 0.938 1.000 1 A 92.540 1 ATOM 264 C CB . HIS 18 18 ? A 7.677 3.485 -0.599 1.000 1 A 92.540 1 ATOM 265 C CG . HIS 18 18 ? A 7.532 4.527 0.474 1.000 1 A 92.540 1 ATOM 266 N ND1 . HIS 18 18 ? A 8.024 4.440 1.757 1.000 1 A 92.540 1 ATOM 267 C CD2 . HIS 18 18 ? A 7.005 5.777 0.331 1.000 1 A 92.540 1 ATOM 268 C CE1 . HIS 18 18 ? A 7.782 5.605 2.378 1.000 1 A 92.540 1 ATOM 269 N NE2 . HIS 18 18 ? A 7.182 6.459 1.540 1.000 1 A 92.540 1 ATOM 270 H H . HIS 18 18 ? A 8.177 1.411 -1.921 1.000 1 A 92.540 1 ATOM 271 H HA . HIS 18 18 ? A 7.517 1.899 0.834 1.000 1 A 92.540 1 ATOM 272 H HB2 . HIS 18 18 ? A 7.161 3.811 -1.503 1.000 1 A 92.540 1 ATOM 273 H HB3 . HIS 18 18 ? A 8.740 3.412 -0.828 1.000 1 A 92.540 1 ATOM 274 H HD1 . HIS 18 18 ? A 8.491 3.642 2.162 1.000 1 A 92.540 1 ATOM 275 H HD2 . HIS 18 18 ? A 6.576 6.184 -0.573 1.000 1 A 92.540 1 ATOM 276 H HE1 . HIS 18 18 ? A 8.054 5.837 3.397 1.000 1 A 92.540 1 ATOM 277 N N . LEU 19 19 ? A 4.985 1.875 -1.301 1.000 1 A 92.530 1 ATOM 278 C CA . LEU 19 19 ? A 3.537 1.699 -1.419 1.000 1 A 92.530 1 ATOM 279 C C . LEU 19 19 ? A 3.054 0.420 -0.734 1.000 1 A 92.530 1 ATOM 280 O O . LEU 19 19 ? A 2.042 0.458 -0.037 1.000 1 A 92.530 1 ATOM 281 C CB . LEU 19 19 ? A 3.132 1.682 -2.903 1.000 1 A 92.530 1 ATOM 282 C CG . LEU 19 19 ? A 3.131 3.056 -3.592 1.000 1 A 92.530 1 ATOM 283 C CD1 . LEU 19 19 ? A 2.845 2.865 -5.081 1.000 1 A 92.530 1 ATOM 284 C CD2 . LEU 19 19 ? A 2.056 3.985 -3.019 1.000 1 A 92.530 1 ATOM 285 H H . LEU 19 19 ? A 5.536 1.847 -2.148 1.000 1 A 92.530 1 ATOM 286 H HA . LEU 19 19 ? A 3.037 2.524 -0.912 1.000 1 A 92.530 1 ATOM 287 H HB2 . LEU 19 19 ? A 3.803 1.010 -3.440 1.000 1 A 92.530 1 ATOM 288 H HB3 . LEU 19 19 ? A 2.126 1.270 -2.984 1.000 1 A 92.530 1 ATOM 289 H HG . LEU 19 19 ? A 4.104 3.534 -3.478 1.000 1 A 92.530 1 ATOM 290 H HD11 . LEU 19 19 ? A 2.887 3.827 -5.592 1.000 1 A 92.530 1 ATOM 291 H HD12 . LEU 19 19 ? A 3.596 2.206 -5.518 1.000 1 A 92.530 1 ATOM 292 H HD13 . LEU 19 19 ? A 1.859 2.422 -5.224 1.000 1 A 92.530 1 ATOM 293 H HD21 . LEU 19 19 ? A 1.080 3.502 -3.061 1.000 1 A 92.530 1 ATOM 294 H HD22 . LEU 19 19 ? A 2.024 4.905 -3.602 1.000 1 A 92.530 1 ATOM 295 H HD23 . LEU 19 19 ? A 2.291 4.248 -1.988 1.000 1 A 92.530 1 ATOM 296 N N . GLU 20 20 ? A 3.776 -0.691 -0.876 1.000 1 A 92.690 1 ATOM 297 C CA . GLU 20 20 ? A 3.451 -1.947 -0.194 1.000 1 A 92.690 1 ATOM 298 C C . GLU 20 20 ? A 3.473 -1.772 1.334 1.000 1 A 92.690 1 ATOM 299 O O . GLU 20 20 ? A 2.529 -2.168 2.027 1.000 1 A 92.690 1 ATOM 300 C CB . GLU 20 20 ? A 4.422 -3.042 -0.662 1.000 1 A 92.690 1 ATOM 301 C CG . GLU 20 20 ? A 4.011 -4.414 -0.120 1.000 1 A 92.690 1 ATOM 302 C CD . GLU 20 20 ? A 4.948 -5.511 -0.632 1.000 1 A 92.690 1 ATOM 303 O OE1 . GLU 20 20 ? A 5.979 -5.736 0.042 1.000 1 A 92.690 1 ATOM 304 O OE2 . GLU 20 20 ? A 4.610 -6.120 -1.670 1.000 1 A 92.690 1 ATOM 305 H H . GLU 20 20 ? A 4.570 -0.683 -1.501 1.000 1 A 92.690 1 ATOM 306 H HA . GLU 20 20 ? A 2.442 -2.249 -0.475 1.000 1 A 92.690 1 ATOM 307 H HB2 . GLU 20 20 ? A 5.433 -2.804 -0.331 1.000 1 A 92.690 1 ATOM 308 H HB3 . GLU 20 20 ? A 4.411 -3.081 -1.751 1.000 1 A 92.690 1 ATOM 309 H HG2 . GLU 20 20 ? A 4.035 -4.398 0.969 1.000 1 A 92.690 1 ATOM 310 H HG3 . GLU 20 20 ? A 2.986 -4.626 -0.426 1.000 1 A 92.690 1 ATOM 311 N N . GLY 21 21 ? A 4.493 -1.085 1.864 1.000 1 A 92.080 1 ATOM 312 C CA . GLY 21 21 ? A 4.584 -0.747 3.286 1.000 1 A 92.080 1 ATOM 313 C C . GLY 21 21 ? A 3.426 0.131 3.778 1.000 1 A 92.080 1 ATOM 314 O O . GLY 21 21 ? A 2.844 -0.137 4.841 1.000 1 A 92.080 1 ATOM 315 H H . GLY 21 21 ? A 5.243 -0.805 1.248 1.000 1 A 92.080 1 ATOM 316 H HA2 . GLY 21 21 ? A 5.516 -0.207 3.453 1.000 1 A 92.080 1 ATOM 317 H HA3 . GLY 21 21 ? A 4.599 -1.665 3.874 1.000 1 A 92.080 1 ATOM 318 N N . PHE 22 22 ? A 3.035 1.142 2.995 1.000 1 A 90.870 1 ATOM 319 C CA . PHE 22 22 ? A 1.872 1.974 3.310 1.000 1 A 90.870 1 ATOM 320 C C . PHE 22 22 ? A 0.563 1.194 3.261 1.000 1 A 90.870 1 ATOM 321 O O . PHE 22 22 ? A -0.226 1.298 4.200 1.000 1 A 90.870 1 ATOM 322 C CB . PHE 22 22 ? A 1.777 3.171 2.362 1.000 1 A 90.870 1 ATOM 323 C CG . PHE 22 22 ? A 2.709 4.313 2.687 1.000 1 A 90.870 1 ATOM 324 C CD1 . PHE 22 22 ? A 2.735 4.877 3.980 1.000 1 A 90.870 1 ATOM 325 C CD2 . PHE 22 22 ? A 3.472 4.887 1.661 1.000 1 A 90.870 1 ATOM 326 C CE1 . PHE 22 22 ? A 3.557 5.983 4.255 1.000 1 A 90.870 1 ATOM 327 C CE2 . PHE 22 22 ? A 4.226 6.037 1.925 1.000 1 A 90.870 1 ATOM 328 C CZ . PHE 22 22 ? A 4.307 6.564 3.223 1.000 1 A 90.870 1 ATOM 329 H H . PHE 22 22 ? A 3.562 1.340 2.157 1.000 1 A 90.870 1 ATOM 330 H HA . PHE 22 22 ? A 1.974 2.338 4.332 1.000 1 A 90.870 1 ATOM 331 H HB2 . PHE 22 22 ? A 1.941 2.834 1.339 1.000 1 A 90.870 1 ATOM 332 H HB3 . PHE 22 22 ? A 0.765 3.574 2.408 1.000 1 A 90.870 1 ATOM 333 H HD1 . PHE 22 22 ? A 2.122 4.467 4.768 1.000 1 A 90.870 1 ATOM 334 H HD2 . PHE 22 22 ? A 3.436 4.487 0.658 1.000 1 A 90.870 1 ATOM 335 H HE1 . PHE 22 22 ? A 3.592 6.405 5.249 1.000 1 A 90.870 1 ATOM 336 H HE2 . PHE 22 22 ? A 4.719 6.547 1.111 1.000 1 A 90.870 1 ATOM 337 H HZ . PHE 22 22 ? A 4.915 7.437 3.409 1.000 1 A 90.870 1 ATOM 338 N N . MET 23 23 ? A 0.339 0.390 2.220 1.000 1 A 90.800 1 ATOM 339 C CA . MET 23 23 ? A -0.872 -0.421 2.082 1.000 1 A 90.800 1 ATOM 340 C C . MET 23 23 ? A -1.008 -1.410 3.235 1.000 1 A 90.800 1 ATOM 341 O O . MET 23 23 ? A -2.078 -1.497 3.836 1.000 1 A 90.800 1 ATOM 342 C CB . MET 23 23 ? A -0.883 -1.166 0.740 1.000 1 A 90.800 1 ATOM 343 C CG . MET 23 23 ? A -1.297 -0.242 -0.407 1.000 1 A 90.800 1 ATOM 344 S SD . MET 23 23 ? A -1.641 -1.114 -1.958 1.000 1 A 90.800 1 ATOM 345 C CE . MET 23 23 ? A 0.041 -1.329 -2.596 1.000 1 A 90.800 1 ATOM 346 H H . MET 23 23 ? A 1.029 0.350 1.484 1.000 1 A 90.800 1 ATOM 347 H HA . MET 23 23 ? A -1.743 0.234 2.121 1.000 1 A 90.800 1 ATOM 348 H HB2 . MET 23 23 ? A 0.095 -1.602 0.537 1.000 1 A 90.800 1 ATOM 349 H HB3 . MET 23 23 ? A -1.614 -1.972 0.795 1.000 1 A 90.800 1 ATOM 350 H HG2 . MET 23 23 ? A -0.525 0.508 -0.576 1.000 1 A 90.800 1 ATOM 351 H HG3 . MET 23 23 ? A -2.212 0.274 -0.117 1.000 1 A 90.800 1 ATOM 352 H HE1 . MET 23 23 ? A 0.511 -0.354 -2.725 1.000 1 A 90.800 1 ATOM 353 H HE2 . MET 23 23 ? A 0.629 -1.924 -1.897 1.000 1 A 90.800 1 ATOM 354 H HE3 . MET 23 23 ? A 0.003 -1.841 -3.558 1.000 1 A 90.800 1 ATOM 355 N N . ARG 24 24 ? A 0.078 -2.086 3.624 1.000 1 A 90.340 1 ATOM 356 C CA . ARG 24 24 ? A 0.083 -2.997 4.778 1.000 1 A 90.340 1 ATOM 357 C C . ARG 24 24 ? A -0.276 -2.274 6.077 1.000 1 A 90.340 1 ATOM 358 O O . ARG 24 24 ? A -1.095 -2.762 6.855 1.000 1 A 90.340 1 ATOM 359 C CB . ARG 24 24 ? A 1.460 -3.671 4.849 1.000 1 A 90.340 1 ATOM 360 C CG . ARG 24 24 ? A 1.495 -4.794 5.891 1.000 1 A 90.340 1 ATOM 361 C CD . ARG 24 24 ? A 2.858 -5.488 5.856 1.000 1 A 90.340 1 ATOM 362 N NE . ARG 24 24 ? A 2.909 -6.620 6.801 1.000 1 A 90.340 1 ATOM 363 C CZ . ARG 24 24 ? A 3.992 -7.296 7.141 1.000 1 A 90.340 1 ATOM 364 N NH1 . ARG 24 24 ? A 5.168 -7.002 6.663 1.000 1 A 90.340 1 ATOM 365 N NH2 . ARG 24 24 ? A 3.910 -8.297 7.973 1.000 1 A 90.340 1 ATOM 366 H H . ARG 24 24 ? A 0.916 -1.998 3.068 1.000 1 A 90.340 1 ATOM 367 H HA . ARG 24 24 ? A -0.680 -3.758 4.617 1.000 1 A 90.340 1 ATOM 368 H HB2 . ARG 24 24 ? A 1.687 -4.099 3.873 1.000 1 A 90.340 1 ATOM 369 H HB3 . ARG 24 24 ? A 2.223 -2.928 5.082 1.000 1 A 90.340 1 ATOM 370 H HG2 . ARG 24 24 ? A 0.714 -5.519 5.663 1.000 1 A 90.340 1 ATOM 371 H HG3 . ARG 24 24 ? A 1.326 -4.384 6.887 1.000 1 A 90.340 1 ATOM 372 H HD2 . ARG 24 24 ? A 3.042 -5.853 4.846 1.000 1 A 90.340 1 ATOM 373 H HD3 . ARG 24 24 ? A 3.627 -4.757 6.108 1.000 1 A 90.340 1 ATOM 374 H HE . ARG 24 24 ? A 2.028 -6.938 7.180 1.000 1 A 90.340 1 ATOM 375 H HH11 . ARG 24 24 ? A 5.241 -6.289 5.951 1.000 1 A 90.340 1 ATOM 376 H HH12 . ARG 24 24 ? A 5.982 -7.555 6.892 1.000 1 A 90.340 1 ATOM 377 H HH21 . ARG 24 24 ? A 4.740 -8.828 8.198 1.000 1 A 90.340 1 ATOM 378 H HH22 . ARG 24 24 ? A 3.013 -8.601 8.325 1.000 1 A 90.340 1 ATOM 379 N N . THR 25 25 ? A 0.297 -1.093 6.300 1.000 1 A 91.760 1 ATOM 380 C CA . THR 25 25 ? A 0.019 -0.275 7.492 1.000 1 A 91.760 1 ATOM 381 C C . THR 25 25 ? A -1.424 0.234 7.505 1.000 1 A 91.760 1 ATOM 382 O O . THR 25 25 ? A -2.103 0.162 8.533 1.000 1 A 91.760 1 ATOM 383 C CB . THR 25 25 ? A 0.999 0.904 7.567 1.000 1 A 91.760 1 ATOM 384 O OG1 . THR 25 25 ? A 2.318 0.413 7.568 1.000 1 A 91.760 1 ATOM 385 C CG2 . THR 25 25 ? A 0.832 1.716 8.852 1.000 1 A 91.760 1 ATOM 386 H H . THR 25 25 ? A 0.964 -0.759 5.619 1.000 1 A 91.760 1 ATOM 387 H HA . THR 25 25 ? A 0.163 -0.889 8.381 1.000 1 A 91.760 1 ATOM 388 H HB . THR 25 25 ? A 0.861 1.560 6.708 1.000 1 A 91.760 1 ATOM 389 H HG1 . THR 25 25 ? A 2.583 0.249 6.660 1.000 1 A 91.760 1 ATOM 390 H HG21 . THR 25 25 ? A 0.944 1.063 9.718 1.000 1 A 91.760 1 ATOM 391 H HG22 . THR 25 25 ? A 1.601 2.487 8.886 1.000 1 A 91.760 1 ATOM 392 H HG23 . THR 25 25 ? A -0.146 2.198 8.875 1.000 1 A 91.760 1 ATOM 393 N N . TYR 26 26 ? A -1.914 0.714 6.361 1.000 1 A 89.550 1 ATOM 394 C CA . TYR 26 26 ? A -3.285 1.183 6.188 1.000 1 A 89.550 1 ATOM 395 C C . TYR 26 26 ? A -4.288 0.051 6.417 1.000 1 A 89.550 1 ATOM 396 O O . TYR 26 26 ? A -5.208 0.206 7.217 1.000 1 A 89.550 1 ATOM 397 C CB . TYR 26 26 ? A -3.442 1.793 4.790 1.000 1 A 89.550 1 ATOM 398 C CG . TYR 26 26 ? A -4.824 2.361 4.538 1.000 1 A 89.550 1 ATOM 399 C CD1 . TYR 26 26 ? A -5.791 1.594 3.859 1.000 1 A 89.550 1 ATOM 400 C CD2 . TYR 26 26 ? A -5.143 3.656 4.992 1.000 1 A 89.550 1 ATOM 401 C CE1 . TYR 26 26 ? A -7.076 2.123 3.634 1.000 1 A 89.550 1 ATOM 402 C CE2 . TYR 26 26 ? A -6.427 4.189 4.765 1.000 1 A 89.550 1 ATOM 403 C CZ . TYR 26 26 ? A -7.396 3.419 4.085 1.000 1 A 89.550 1 ATOM 404 O OH . TYR 26 26 ? A -8.637 3.920 3.857 1.000 1 A 89.550 1 ATOM 405 H H . TYR 26 26 ? A -1.308 0.748 5.554 1.000 1 A 89.550 1 ATOM 406 H HA . TYR 26 26 ? A -3.489 1.959 6.926 1.000 1 A 89.550 1 ATOM 407 H HB2 . TYR 26 26 ? A -2.712 2.594 4.669 1.000 1 A 89.550 1 ATOM 408 H HB3 . TYR 26 26 ? A -3.224 1.037 4.036 1.000 1 A 89.550 1 ATOM 409 H HD1 . TYR 26 26 ? A -5.549 0.605 3.499 1.000 1 A 89.550 1 ATOM 410 H HD2 . TYR 26 26 ? A -4.391 4.251 5.488 1.000 1 A 89.550 1 ATOM 411 H HE1 . TYR 26 26 ? A -7.822 1.553 3.101 1.000 1 A 89.550 1 ATOM 412 H HE2 . TYR 26 26 ? A -6.665 5.192 5.085 1.000 1 A 89.550 1 ATOM 413 H HH . TYR 26 26 ? A -8.713 4.853 4.073 1.000 1 A 89.550 1 ATOM 414 N N . LEU 27 27 ? A -4.068 -1.113 5.805 1.000 1 A 88.780 1 ATOM 415 C CA . LEU 27 27 ? A -4.929 -2.284 5.939 1.000 1 A 88.780 1 ATOM 416 C C . LEU 27 27 ? A -5.000 -2.774 7.390 1.000 1 A 88.780 1 ATOM 417 O O . LEU 27 27 ? A -6.095 -2.997 7.898 1.000 1 A 88.780 1 ATOM 418 C CB . LEU 27 27 ? A -4.431 -3.352 4.954 1.000 1 A 88.780 1 ATOM 419 C CG . LEU 27 27 ? A -5.320 -4.611 4.895 1.000 1 A 88.780 1 ATOM 420 C CD1 . LEU 27 27 ? A -5.545 -5.038 3.445 1.000 1 A 88.780 1 ATOM 421 C CD2 . LEU 27 27 ? A -4.654 -5.773 5.631 1.000 1 A 88.780 1 ATOM 422 H H . LEU 27 27 ? A -3.296 -1.175 5.157 1.000 1 A 88.780 1 ATOM 423 H HA . LEU 27 27 ? A -5.940 -2.000 5.645 1.000 1 A 88.780 1 ATOM 424 H HB2 . LEU 27 27 ? A -3.405 -3.628 5.196 1.000 1 A 88.780 1 ATOM 425 H HB3 . LEU 27 27 ? A -4.413 -2.894 3.965 1.000 1 A 88.780 1 ATOM 426 H HG . LEU 27 27 ? A -6.291 -4.407 5.345 1.000 1 A 88.780 1 ATOM 427 H HD11 . LEU 27 27 ? A -4.592 -5.241 2.956 1.000 1 A 88.780 1 ATOM 428 H HD12 . LEU 27 27 ? A -6.161 -5.936 3.415 1.000 1 A 88.780 1 ATOM 429 H HD13 . LEU 27 27 ? A -6.066 -4.248 2.903 1.000 1 A 88.780 1 ATOM 430 H HD21 . LEU 27 27 ? A -5.286 -6.659 5.564 1.000 1 A 88.780 1 ATOM 431 H HD22 . LEU 27 27 ? A -4.501 -5.513 6.679 1.000 1 A 88.780 1 ATOM 432 H HD23 . LEU 27 27 ? A -3.692 -6.002 5.173 1.000 1 A 88.780 1 ATOM 433 N N . LEU 28 28 ? A -3.875 -2.846 8.109 1.000 1 A 88.140 1 ATOM 434 C CA . LEU 28 28 ? A -3.879 -3.180 9.540 1.000 1 A 88.140 1 ATOM 435 C C . LEU 28 28 ? A -4.647 -2.149 10.379 1.000 1 A 88.140 1 ATOM 436 O O . LEU 28 28 ? A -5.365 -2.518 11.311 1.000 1 A 88.140 1 ATOM 437 C CB . LEU 28 28 ? A -2.433 -3.290 10.048 1.000 1 A 88.140 1 ATOM 438 C CG . LEU 28 28 ? A -1.690 -4.553 9.583 1.000 1 A 88.140 1 ATOM 439 C CD1 . LEU 28 28 ? A -0.223 -4.449 10.003 1.000 1 A 88.140 1 ATOM 440 C CD2 . LEU 28 28 ? A -2.274 -5.826 10.200 1.000 1 A 88.140 1 ATOM 441 H H . LEU 28 28 ? A -2.995 -2.672 7.644 1.000 1 A 88.140 1 ATOM 442 H HA . LEU 28 28 ? A -4.392 -4.132 9.678 1.000 1 A 88.140 1 ATOM 443 H HB2 . LEU 28 28 ? A -1.881 -2.409 9.718 1.000 1 A 88.140 1 ATOM 444 H HB3 . LEU 28 28 ? A -2.442 -3.284 11.138 1.000 1 A 88.140 1 ATOM 445 H HG . LEU 28 28 ? A -1.739 -4.641 8.497 1.000 1 A 88.140 1 ATOM 446 H HD11 . LEU 28 28 ? A 0.317 -5.334 9.670 1.000 1 A 88.140 1 ATOM 447 H HD12 . LEU 28 28 ? A -0.143 -4.363 11.087 1.000 1 A 88.140 1 ATOM 448 H HD13 . LEU 28 28 ? A 0.227 -3.573 9.535 1.000 1 A 88.140 1 ATOM 449 H HD21 . LEU 28 28 ? A -1.671 -6.685 9.906 1.000 1 A 88.140 1 ATOM 450 H HD22 . LEU 28 28 ? A -3.287 -5.994 9.833 1.000 1 A 88.140 1 ATOM 451 H HD23 . LEU 28 28 ? A -2.286 -5.753 11.287 1.000 1 A 88.140 1 ATOM 452 N N . ARG 29 29 ? A -4.526 -0.857 10.055 1.000 1 A 88.340 1 ATOM 453 C CA . ARG 29 29 ? A -5.276 0.212 10.731 1.000 1 A 88.340 1 ATOM 454 C C . ARG 29 29 ? A -6.776 0.099 10.466 1.000 1 A 88.340 1 ATOM 455 O O . ARG 29 29 ? A -7.563 0.296 11.390 1.000 1 A 88.340 1 ATOM 456 C CB . ARG 29 29 ? A -4.715 1.571 10.292 1.000 1 A 88.340 1 ATOM 457 C CG . ARG 29 29 ? A -5.309 2.729 11.103 1.000 1 A 88.340 1 ATOM 458 C CD . ARG 29 29 ? A -4.666 4.051 10.673 1.000 1 A 88.340 1 ATOM 459 N NE . ARG 29 29 ? A -5.114 5.171 11.526 1.000 1 A 88.340 1 ATOM 460 C CZ . ARG 29 29 ? A -4.376 6.175 11.973 1.000 1 A 88.340 1 ATOM 461 N NH1 . ARG 29 29 ? A -3.109 6.291 11.695 1.000 1 A 88.340 1 ATOM 462 N NH2 . ARG 29 29 ? A -4.902 7.102 12.726 1.000 1 A 88.340 1 ATOM 463 H H . ARG 29 29 ? A -3.913 -0.617 9.288 1.000 1 A 88.340 1 ATOM 464 H HA . ARG 29 29 ? A -5.145 0.099 11.807 1.000 1 A 88.340 1 ATOM 465 H HB2 . ARG 29 29 ? A -3.634 1.564 10.432 1.000 1 A 88.340 1 ATOM 466 H HB3 . ARG 29 29 ? A -4.921 1.735 9.234 1.000 1 A 88.340 1 ATOM 467 H HG2 . ARG 29 29 ? A -6.385 2.786 10.940 1.000 1 A 88.340 1 ATOM 468 H HG3 . ARG 29 29 ? A -5.114 2.561 12.162 1.000 1 A 88.340 1 ATOM 469 H HD2 . ARG 29 29 ? A -3.584 3.936 10.730 1.000 1 A 88.340 1 ATOM 470 H HD3 . ARG 29 29 ? A -4.933 4.255 9.636 1.000 1 A 88.340 1 ATOM 471 H HE . ARG 29 29 ? A -6.089 5.177 11.788 1.000 1 A 88.340 1 ATOM 472 H HH11 . ARG 29 29 ? A -2.662 5.605 11.103 1.000 1 A 88.340 1 ATOM 473 H HH12 . ARG 29 29 ? A -2.570 7.072 12.040 1.000 1 A 88.340 1 ATOM 474 H HH21 . ARG 29 29 ? A -5.862 7.054 13.035 1.000 1 A 88.340 1 ATOM 475 H HH22 . ARG 29 29 ? A -4.329 7.871 13.042 1.000 1 A 88.340 1 ATOM 476 N N . ILE 30 30 ? A -7.162 -0.231 9.237 1.000 1 A 85.510 1 ATOM 477 C CA . ILE 30 30 ? A -8.553 -0.470 8.857 1.000 1 A 85.510 1 ATOM 478 C C . ILE 30 30 ? A -9.090 -1.720 9.550 1.000 1 A 85.510 1 ATOM 479 O O . ILE 30 30 ? A -10.124 -1.617 10.192 1.000 1 A 85.510 1 ATOM 480 C CB . ILE 30 30 ? A -8.694 -0.521 7.321 1.000 1 A 85.510 1 ATOM 481 C CG1 . ILE 30 30 ? A -8.447 0.854 6.659 1.000 1 A 85.510 1 ATOM 482 C CG2 . ILE 30 30 ? A -10.075 -1.039 6.910 1.000 1 A 85.510 1 ATOM 483 C CD1 . ILE 30 30 ? A -9.431 1.975 7.025 1.000 1 A 85.510 1 ATOM 484 H H . ILE 30 30 ? A -6.451 -0.337 8.528 1.000 1 A 85.510 1 ATOM 485 H HA . ILE 30 30 ? A -9.162 0.355 9.225 1.000 1 A 85.510 1 ATOM 486 H HB . ILE 30 30 ? A -7.954 -1.217 6.927 1.000 1 A 85.510 1 ATOM 487 H HG12 . ILE 30 30 ? A -8.481 0.717 5.578 1.000 1 A 85.510 1 ATOM 488 H HG13 . ILE 30 30 ? A -7.445 1.205 6.905 1.000 1 A 85.510 1 ATOM 489 H HG21 . ILE 30 30 ? A -10.160 -2.100 7.146 1.000 1 A 85.510 1 ATOM 490 H HG22 . ILE 30 30 ? A -10.217 -0.927 5.835 1.000 1 A 85.510 1 ATOM 491 H HG23 . ILE 30 30 ? A -10.850 -0.481 7.436 1.000 1 A 85.510 1 ATOM 492 H HD11 . ILE 30 30 ? A -9.395 2.186 8.094 1.000 1 A 85.510 1 ATOM 493 H HD12 . ILE 30 30 ? A -10.447 1.706 6.736 1.000 1 A 85.510 1 ATOM 494 H HD13 . ILE 30 30 ? A -9.151 2.882 6.488 1.000 1 A 85.510 1 ATOM 495 N N . ILE 31 31 ? A -8.379 -2.851 9.543 1.000 1 A 83.200 1 ATOM 496 C CA . ILE 31 31 ? A -8.795 -4.067 10.265 1.000 1 A 83.200 1 ATOM 497 C C . ILE 31 31 ? A -8.968 -3.787 11.759 1.000 1 A 83.200 1 ATOM 498 O O . ILE 31 31 ? A -9.941 -4.235 12.347 1.000 1 A 83.200 1 ATOM 499 C CB . ILE 31 31 ? A -7.797 -5.224 10.025 1.000 1 A 83.200 1 ATOM 500 C CG1 . ILE 31 31 ? A -7.924 -5.717 8.568 1.000 1 A 83.200 1 ATOM 501 C CG2 . ILE 31 31 ? A -8.039 -6.400 10.997 1.000 1 A 83.200 1 ATOM 502 C CD1 . ILE 31 31 ? A -6.850 -6.733 8.166 1.000 1 A 83.200 1 ATOM 503 H H . ILE 31 31 ? A -7.546 -2.893 8.974 1.000 1 A 83.200 1 ATOM 504 H HA . ILE 31 31 ? A -9.771 -4.378 9.892 1.000 1 A 83.200 1 ATOM 505 H HB . ILE 31 31 ? A -6.786 -4.851 10.188 1.000 1 A 83.200 1 ATOM 506 H HG12 . ILE 31 31 ? A -8.905 -6.169 8.422 1.000 1 A 83.200 1 ATOM 507 H HG13 . ILE 31 31 ? A -7.850 -4.871 7.884 1.000 1 A 83.200 1 ATOM 508 H HG21 . ILE 31 31 ? A -7.339 -7.213 10.806 1.000 1 A 83.200 1 ATOM 509 H HG22 . ILE 31 31 ? A -9.057 -6.774 10.883 1.000 1 A 83.200 1 ATOM 510 H HG23 . ILE 31 31 ? A -7.886 -6.093 12.032 1.000 1 A 83.200 1 ATOM 511 H HD11 . ILE 31 31 ? A -6.941 -6.931 7.098 1.000 1 A 83.200 1 ATOM 512 H HD12 . ILE 31 31 ? A -6.993 -7.677 8.691 1.000 1 A 83.200 1 ATOM 513 H HD13 . ILE 31 31 ? A -5.860 -6.336 8.386 1.000 1 A 83.200 1 ATOM 514 N N . ARG 32 32 ? A -8.078 -3.010 12.389 1.000 1 A 76.160 1 ATOM 515 C CA . ARG 32 32 ? A -8.245 -2.621 13.802 1.000 1 A 76.160 1 ATOM 516 C C . ARG 32 32 ? A -9.465 -1.732 14.043 1.000 1 A 76.160 1 ATOM 517 O O . ARG 32 32 ? A -10.053 -1.822 15.110 1.000 1 A 76.160 1 ATOM 518 C CB . ARG 32 32 ? A -6.984 -1.927 14.317 1.000 1 A 76.160 1 ATOM 519 C CG . ARG 32 32 ? A -5.852 -2.925 14.577 1.000 1 A 76.160 1 ATOM 520 C CD . ARG 32 32 ? A -4.613 -2.155 15.036 1.000 1 A 76.160 1 ATOM 521 N NE . ARG 32 32 ? A -3.472 -3.054 15.285 1.000 1 A 76.160 1 ATOM 522 C CZ . ARG 32 32 ? A -2.213 -2.689 15.440 1.000 1 A 76.160 1 ATOM 523 N NH1 . ARG 32 32 ? A -1.847 -1.437 15.406 1.000 1 A 76.160 1 ATOM 524 N NH2 . ARG 32 32 ? A -1.284 -3.581 15.640 1.000 1 A 76.160 1 ATOM 525 H H . ARG 32 32 ? A -7.265 -2.702 11.877 1.000 1 A 76.160 1 ATOM 526 H HA . ARG 32 32 ? A -8.434 -3.513 14.400 1.000 1 A 76.160 1 ATOM 527 H HB2 . ARG 32 32 ? A -7.216 -1.426 15.257 1.000 1 A 76.160 1 ATOM 528 H HB3 . ARG 32 32 ? A -6.663 -1.174 13.598 1.000 1 A 76.160 1 ATOM 529 H HG2 . ARG 32 32 ? A -6.157 -3.625 15.355 1.000 1 A 76.160 1 ATOM 530 H HG3 . ARG 32 32 ? A -5.623 -3.484 13.669 1.000 1 A 76.160 1 ATOM 531 H HD2 . ARG 32 32 ? A -4.854 -1.611 15.950 1.000 1 A 76.160 1 ATOM 532 H HD3 . ARG 32 32 ? A -4.351 -1.439 14.256 1.000 1 A 76.160 1 ATOM 533 H HE . ARG 32 32 ? A -3.676 -4.042 15.337 1.000 1 A 76.160 1 ATOM 534 H HH11 . ARG 32 32 ? A -0.882 -1.181 15.561 1.000 1 A 76.160 1 ATOM 535 H HH12 . ARG 32 32 ? A -2.561 -0.727 15.329 1.000 1 A 76.160 1 ATOM 536 H HH21 . ARG 32 32 ? A -0.326 -3.299 15.791 1.000 1 A 76.160 1 ATOM 537 H HH22 . ARG 32 32 ? A -1.526 -4.558 15.722 1.000 1 A 76.160 1 ATOM 538 N N . LYS 33 33 ? A -9.844 -0.887 13.079 1.000 1 A 76.350 1 ATOM 539 C CA . LYS 33 33 ? A -11.087 -0.101 13.143 1.000 1 A 76.350 1 ATOM 540 C C . LYS 33 33 ? A -12.336 -0.946 12.856 1.000 1 A 76.350 1 ATOM 541 O O . LYS 33 33 ? A -13.350 -0.742 13.508 1.000 1 A 76.350 1 ATOM 542 C CB . LYS 33 33 ? A -11.023 1.088 12.173 1.000 1 A 76.350 1 ATOM 543 C CG . LYS 33 33 ? A -10.171 2.262 12.679 1.000 1 A 76.350 1 ATOM 544 C CD . LYS 33 33 ? A -10.371 3.459 11.737 1.000 1 A 76.350 1 ATOM 545 C CE . LYS 33 33 ? A -9.737 4.740 12.289 1.000 1 A 76.350 1 ATOM 546 N NZ . LYS 33 33 ? A -10.267 5.936 11.579 1.000 1 A 76.350 1 ATOM 547 H H . LYS 33 33 ? A -9.299 -0.867 12.229 1.000 1 A 76.350 1 ATOM 548 H HA . LYS 33 33 ? A -11.228 0.273 14.157 1.000 1 A 76.350 1 ATOM 549 H HB2 . LYS 33 33 ? A -10.655 0.757 11.202 1.000 1 A 76.350 1 ATOM 550 H HB3 . LYS 33 33 ? A -12.043 1.447 12.034 1.000 1 A 76.350 1 ATOM 551 H HG2 . LYS 33 33 ? A -9.118 1.982 12.713 1.000 1 A 76.350 1 ATOM 552 H HG3 . LYS 33 33 ? A -10.502 2.534 13.681 1.000 1 A 76.350 1 ATOM 553 H HD2 . LYS 33 33 ? A -9.953 3.224 10.759 1.000 1 A 76.350 1 ATOM 554 H HD3 . LYS 33 33 ? A -11.443 3.623 11.624 1.000 1 A 76.350 1 ATOM 555 H HE2 . LYS 33 33 ? A -9.986 4.809 13.348 1.000 1 A 76.350 1 ATOM 556 H HE3 . LYS 33 33 ? A -8.653 4.668 12.195 1.000 1 A 76.350 1 ATOM 557 H HZ1 . LYS 33 33 ? A -10.076 5.897 10.588 1.000 1 A 76.350 1 ATOM 558 H HZ2 . LYS 33 33 ? A -11.271 5.971 11.683 1.000 1 A 76.350 1 ATOM 559 H HZ3 . LYS 33 33 ? A -9.905 6.797 11.963 1.000 1 A 76.350 1 ATOM 560 N N . ILE 34 34 ? A -12.261 -1.869 11.891 1.000 1 A 72.430 1 ATOM 561 C CA . ILE 34 34 ? A -13.343 -2.778 11.461 1.000 1 A 72.430 1 ATOM 562 C C . ILE 34 34 ? A -13.418 -4.036 12.336 1.000 1 A 72.430 1 ATOM 563 O O . ILE 34 34 ? A -14.338 -4.830 12.198 1.000 1 A 72.430 1 ATOM 564 C CB . ILE 34 34 ? A -13.243 -3.140 9.953 1.000 1 A 72.430 1 ATOM 565 C CG1 . ILE 34 34 ? A -13.291 -1.872 9.074 1.000 1 A 72.430 1 ATOM 566 C CG2 . ILE 34 34 ? A -14.372 -4.098 9.503 1.000 1 A 72.430 1 ATOM 567 C CD1 . ILE 34 34 ? A -13.121 -2.153 7.573 1.000 1 A 72.430 1 ATOM 568 H H . ILE 34 34 ? A -11.392 -1.927 11.381 1.000 1 A 72.430 1 ATOM 569 H HA . ILE 34 34 ? A -14.292 -2.261 11.606 1.000 1 A 72.430 1 ATOM 570 H HB . ILE 34 34 ? A -12.288 -3.637 9.780 1.000 1 A 72.430 1 ATOM 571 H HG12 . ILE 34 34 ? A -12.494 -1.190 9.370 1.000 1 A 72.430 1 ATOM 572 H HG13 . ILE 34 34 ? A -14.240 -1.358 9.229 1.000 1 A 72.430 1 ATOM 573 H HG21 . ILE 34 34 ? A -14.175 -5.111 9.856 1.000 1 A 72.430 1 ATOM 574 H HG22 . ILE 34 34 ? A -14.443 -4.197 8.420 1.000 1 A 72.430 1 ATOM 575 H HG23 . ILE 34 34 ? A -15.335 -3.760 9.887 1.000 1 A 72.430 1 ATOM 576 H HD11 . ILE 34 34 ? A -12.306 -2.858 7.407 1.000 1 A 72.430 1 ATOM 577 H HD12 . ILE 34 34 ? A -14.041 -2.551 7.146 1.000 1 A 72.430 1 ATOM 578 H HD13 . ILE 34 34 ? A -12.919 -1.218 7.052 1.000 1 A 72.430 1 ATOM 579 N N . LYS 35 35 ? A -12.528 -4.211 13.309 1.000 1 A 52.790 1 ATOM 580 C CA . LYS 35 35 ? A -12.781 -5.080 14.453 1.000 1 A 52.790 1 ATOM 581 C C . LYS 35 35 ? A -13.386 -4.225 15.574 1.000 1 A 52.790 1 ATOM 582 O O . LYS 35 35 ? A -12.691 -3.990 16.564 1.000 1 A 52.790 1 ATOM 583 C CB . LYS 35 35 ? A -11.490 -5.841 14.818 1.000 1 A 52.790 1 ATOM 584 C CG . LYS 35 35 ? A -11.811 -7.119 15.603 1.000 1 A 52.790 1 ATOM 585 C CD . LYS 35 35 ? A -10.543 -7.840 16.079 1.000 1 A 52.790 1 ATOM 586 C CE . LYS 35 35 ? A -10.948 -9.210 16.638 1.000 1 A 52.790 1 ATOM 587 N NZ . LYS 35 35 ? A -9.850 -9.870 17.387 1.000 1 A 52.790 1 ATOM 588 H H . LYS 35 35 ? A -11.706 -3.624 13.321 1.000 1 A 52.790 1 ATOM 589 H HA . LYS 35 35 ? A -13.540 -5.816 14.188 1.000 1 A 52.790 1 ATOM 590 H HB2 . LYS 35 35 ? A -10.816 -5.197 15.384 1.000 1 A 52.790 1 ATOM 591 H HB3 . LYS 35 35 ? A -10.984 -6.140 13.900 1.000 1 A 52.790 1 ATOM 592 H HG2 . LYS 35 35 ? A -12.420 -6.869 16.471 1.000 1 A 52.790 1 ATOM 593 H HG3 . LYS 35 35 ? A -12.384 -7.786 14.959 1.000 1 A 52.790 1 ATOM 594 H HD2 . LYS 35 35 ? A -9.855 -7.971 15.244 1.000 1 A 52.790 1 ATOM 595 H HD3 . LYS 35 35 ? A -10.070 -7.237 16.854 1.000 1 A 52.790 1 ATOM 596 H HE2 . LYS 35 35 ? A -11.804 -9.066 17.297 1.000 1 A 52.790 1 ATOM 597 H HE3 . LYS 35 35 ? A -11.281 -9.838 15.812 1.000 1 A 52.790 1 ATOM 598 H HZ1 . LYS 35 35 ? A -9.580 -9.304 18.179 1.000 1 A 52.790 1 ATOM 599 H HZ2 . LYS 35 35 ? A -10.167 -10.761 17.740 1.000 1 A 52.790 1 ATOM 600 H HZ3 . LYS 35 35 ? A -9.051 -10.027 16.790 1.000 1 A 52.790 1 ATOM 601 N N . PRO 36 36 ? A -14.619 -3.689 15.447 1.000 1 A 58.470 1 ATOM 602 C CA . PRO 36 36 ? A -15.275 -3.160 16.611 1.000 1 A 58.470 1 ATOM 603 C C . PRO 36 36 ? A -15.610 -4.360 17.497 1.000 1 A 58.470 1 ATOM 604 O O . PRO 36 36 ? A -16.012 -5.417 17.016 1.000 1 A 58.470 1 ATOM 605 C CB . PRO 36 36 ? A -16.501 -2.407 16.088 1.000 1 A 58.470 1 ATOM 606 C CG . PRO 36 36 ? A -16.949 -3.268 14.921 1.000 1 A 58.470 1 ATOM 607 C CD . PRO 36 36 ? A -15.628 -3.809 14.395 1.000 1 A 58.470 1 ATOM 608 H HA . PRO 36 36 ? A -14.627 -2.467 17.146 1.000 1 A 58.470 1 ATOM 609 H HB2 . PRO 36 36 ? A -16.199 -1.425 15.724 1.000 1 A 58.470 1 ATOM 610 H HB3 . PRO 36 36 ? A -17.293 -2.313 16.830 1.000 1 A 58.470 1 ATOM 611 H HG2 . PRO 36 36 ? A -17.574 -4.086 15.278 1.000 1 A 58.470 1 ATOM 612 H HG3 . PRO 36 36 ? A -17.478 -2.683 14.167 1.000 1 A 58.470 1 ATOM 613 H HD2 . PRO 36 36 ? A -15.358 -3.162 13.561 1.000 1 A 58.470 1 ATOM 614 H HD3 . PRO 36 36 ? A -15.765 -4.848 14.096 1.000 1 A 58.470 1 ATOM 615 N N . THR 37 37 ? A -15.402 -4.155 18.790 1.000 1 A 55.340 1 ATOM 616 C CA . THR 37 37 ? A -16.419 -4.490 19.778 1.000 1 A 55.340 1 ATOM 617 C C . THR 37 37 ? A -16.808 -5.962 19.764 1.000 1 A 55.340 1 ATOM 618 O O . THR 37 37 ? A -17.689 -6.398 19.027 1.000 1 A 55.340 1 ATOM 619 C CB . THR 37 37 ? A -17.608 -3.520 19.601 1.000 1 A 55.340 1 ATOM 620 O OG1 . THR 37 37 ? A -17.108 -2.218 19.350 1.000 1 A 55.340 1 ATOM 621 C CG2 . THR 37 37 ? A -18.497 -3.345 20.827 1.000 1 A 55.340 1 ATOM 622 H H . THR 37 37 ? A -14.929 -3.288 19.000 1.000 1 A 55.340 1 ATOM 623 H HA . THR 37 37 ? A -15.998 -4.279 20.761 1.000 1 A 55.340 1 ATOM 624 H HB . THR 37 37 ? A -18.218 -3.822 18.750 1.000 1 A 55.340 1 ATOM 625 H HG1 . THR 37 37 ? A -17.868 -1.632 19.383 1.000 1 A 55.340 1 ATOM 626 H HG21 . THR 37 37 ? A -19.226 -4.155 20.856 1.000 1 A 55.340 1 ATOM 627 H HG22 . THR 37 37 ? A -17.903 -3.352 21.741 1.000 1 A 55.340 1 ATOM 628 H HG23 . THR 37 37 ? A -19.062 -2.415 20.769 1.000 1 A 55.340 1 ATOM 629 N N . THR 38 38 ? A -16.145 -6.715 20.650 1.000 1 A 55.560 1 ATOM 630 C CA . THR 38 38 ? A -16.842 -7.496 21.678 1.000 1 A 55.560 1 ATOM 631 C C . THR 38 38 ? A -18.337 -7.437 21.437 1.000 1 A 55.560 1 ATOM 632 O O . THR 38 38 ? A -18.919 -6.383 21.680 1.000 1 A 55.560 1 ATOM 633 C CB . THR 38 38 ? A -16.538 -6.858 23.055 1.000 1 A 55.560 1 ATOM 634 O OG1 . THR 38 38 ? A -15.160 -6.559 23.149 1.000 1 A 55.560 1 ATOM 635 C CG2 . THR 38 38 ? A -16.878 -7.744 24.249 1.000 1 A 55.560 1 ATOM 636 H H . THR 38 38 ? A -15.303 -6.302 21.025 1.000 1 A 55.560 1 ATOM 637 H HA . THR 38 38 ? A -16.501 -8.532 21.668 1.000 1 A 55.560 1 ATOM 638 H HB . THR 38 38 ? A -17.073 -5.914 23.160 1.000 1 A 55.560 1 ATOM 639 H HG1 . THR 38 38 ? A -15.003 -6.342 24.071 1.000 1 A 55.560 1 ATOM 640 H HG21 . THR 38 38 ? A -16.400 -8.718 24.147 1.000 1 A 55.560 1 ATOM 641 H HG22 . THR 38 38 ? A -17.957 -7.881 24.309 1.000 1 A 55.560 1 ATOM 642 H HG23 . THR 38 38 ? A -16.550 -7.270 25.175 1.000 1 A 55.560 1 ATOM 643 N N . GLN 39 39 ? A -18.944 -8.498 20.897 1.000 1 A 49.290 1 ATOM 644 C CA . GLN 39 39 ? A -20.384 -8.658 21.060 1.000 1 A 49.290 1 ATOM 645 C C . GLN 39 39 ? A -20.659 -8.262 22.512 1.000 1 A 49.290 1 ATOM 646 O O . GLN 39 39 ? A -20.078 -8.902 23.394 1.000 1 A 49.290 1 ATOM 647 C CB . GLN 39 39 ? A -20.783 -10.134 20.871 1.000 1 A 49.290 1 ATOM 648 C CG . GLN 39 39 ? A -20.830 -10.592 19.411 1.000 1 A 49.290 1 ATOM 649 C CD . GLN 39 39 ? A -20.991 -12.107 19.321 1.000 1 A 49.290 1 ATOM 650 O OE1 . GLN 39 39 ? A -20.035 -12.853 19.422 1.000 1 A 49.290 1 ATOM 651 N NE2 . GLN 39 39 ? A -22.188 -12.623 19.135 1.000 1 A 49.290 1 ATOM 652 H H . GLN 39 39 ? A -18.401 -9.315 20.656 1.000 1 A 49.290 1 ATOM 653 H HA . GLN 39 39 ? A -20.928 -8.016 20.367 1.000 1 A 49.290 1 ATOM 654 H HB2 . GLN 39 39 ? A -21.774 -10.284 21.300 1.000 1 A 49.290 1 ATOM 655 H HB3 . GLN 39 39 ? A -20.087 -10.767 21.421 1.000 1 A 49.290 1 ATOM 656 H HG2 . GLN 39 39 ? A -19.901 -10.318 18.912 1.000 1 A 49.290 1 ATOM 657 H HG3 . GLN 39 39 ? A -21.656 -10.098 18.898 1.000 1 A 49.290 1 ATOM 658 H HE21 . GLN 39 39 ? A -23.010 -12.036 19.125 1.000 1 A 49.290 1 ATOM 659 H HE22 . GLN 39 39 ? A -22.238 -13.631 19.155 1.000 1 A 49.290 1 ATOM 660 N N . PRO 40 40 ? A -21.429 -7.203 22.817 1.000 1 A 54.760 1 ATOM 661 C CA . PRO 40 40 ? A -22.107 -7.240 24.086 1.000 1 A 54.760 1 ATOM 662 C C . PRO 40 40 ? A -22.959 -8.498 23.960 1.000 1 A 54.760 1 ATOM 663 O O . PRO 40 40 ? A -23.929 -8.537 23.200 1.000 1 A 54.760 1 ATOM 664 C CB . PRO 40 40 ? A -22.881 -5.928 24.197 1.000 1 A 54.760 1 ATOM 665 C CG . PRO 40 40 ? A -23.120 -5.516 22.743 1.000 1 A 54.760 1 ATOM 666 C CD . PRO 40 40 ? A -21.963 -6.147 21.964 1.000 1 A 54.760 1 ATOM 667 H HA . PRO 40 40 ? A -21.410 -7.335 24.918 1.000 1 A 54.760 1 ATOM 668 H HB2 . PRO 40 40 ? A -23.816 -6.051 24.744 1.000 1 A 54.760 1 ATOM 669 H HB3 . PRO 40 40 ? A -22.253 -5.182 24.685 1.000 1 A 54.760 1 ATOM 670 H HG2 . PRO 40 40 ? A -23.136 -4.432 22.632 1.000 1 A 54.760 1 ATOM 671 H HG3 . PRO 40 40 ? A -24.062 -5.942 22.397 1.000 1 A 54.760 1 ATOM 672 H HD2 . PRO 40 40 ? A -22.331 -6.541 21.017 1.000 1 A 54.760 1 ATOM 673 H HD3 . PRO 40 40 ? A -21.195 -5.393 21.788 1.000 1 A 54.760 1 ATOM 674 N N . SER 41 41 ? A -22.485 -9.590 24.560 1.000 1 A 56.580 1 ATOM 675 C CA . SER 41 41 ? A -23.326 -10.739 24.803 1.000 1 A 56.580 1 ATOM 676 C C . SER 41 41 ? A -24.546 -10.150 25.484 1.000 1 A 56.580 1 ATOM 677 O O . SER 41 41 ? A -24.442 -9.543 26.546 1.000 1 A 56.580 1 ATOM 678 C CB . SER 41 41 ? A -22.633 -11.768 25.701 1.000 1 A 56.580 1 ATOM 679 O OG . SER 41 41 ? A -21.585 -12.399 24.989 1.000 1 A 56.580 1 ATOM 680 H H . SER 41 41 ? A -21.583 -9.553 25.013 1.000 1 A 56.580 1 ATOM 681 H HA . SER 41 41 ? A -23.604 -11.209 23.861 1.000 1 A 56.580 1 ATOM 682 H HB2 . SER 41 41 ? A -23.358 -12.523 26.004 1.000 1 A 56.580 1 ATOM 683 H HB3 . SER 41 41 ? A -22.240 -11.281 26.593 1.000 1 A 56.580 1 ATOM 684 H HG . SER 41 41 ? A -21.246 -13.102 25.548 1.000 1 A 56.580 1 ATOM 685 N N . ILE 42 42 ? A -25.688 -10.282 24.819 1.000 1 A 58.570 1 ATOM 686 C CA . ILE 42 42 ? A -27.021 -9.897 25.297 1.000 1 A 58.570 1 ATOM 687 C C . ILE 42 42 ? A -27.280 -10.450 26.719 1.000 1 A 58.570 1 ATOM 688 O O . ILE 42 42 ? A -28.156 -9.978 27.432 1.000 1 A 58.570 1 ATOM 689 C CB . ILE 42 42 ? A -28.024 -10.419 24.237 1.000 1 A 58.570 1 ATOM 690 C CG1 . ILE 42 42 ? A -27.823 -9.685 22.882 1.000 1 A 58.570 1 ATOM 691 C CG2 . ILE 42 42 ? A -29.486 -10.287 24.689 1.000 1 A 58.570 1 ATOM 692 C CD1 . ILE 42 42 ? A -28.444 -10.416 21.684 1.000 1 A 58.570 1 ATOM 693 H H . ILE 42 42 ? A -25.630 -10.665 23.886 1.000 1 A 58.570 1 ATOM 694 H HA . ILE 42 42 ? A -27.087 -8.811 25.355 1.000 1 A 58.570 1 ATOM 695 H HB . ILE 42 42 ? A -27.827 -11.480 24.085 1.000 1 A 58.570 1 ATOM 696 H HG12 . ILE 42 42 ? A -26.762 -9.573 22.661 1.000 1 A 58.570 1 ATOM 697 H HG13 . ILE 42 42 ? A -28.247 -8.683 22.949 1.000 1 A 58.570 1 ATOM 698 H HG21 . ILE 42 42 ? A -29.673 -10.914 25.560 1.000 1 A 58.570 1 ATOM 699 H HG22 . ILE 42 42 ? A -29.704 -9.252 24.953 1.000 1 A 58.570 1 ATOM 700 H HG23 . ILE 42 42 ? A -30.172 -10.609 23.905 1.000 1 A 58.570 1 ATOM 701 H HD11 . ILE 42 42 ? A -29.530 -10.452 21.774 1.000 1 A 58.570 1 ATOM 702 H HD12 . ILE 42 42 ? A -28.191 -9.881 20.768 1.000 1 A 58.570 1 ATOM 703 H HD13 . ILE 42 42 ? A -28.049 -11.430 21.623 1.000 1 A 58.570 1 ATOM 704 N N . GLU 43 43 ? A -26.470 -11.417 27.148 1.000 1 A 58.590 1 ATOM 705 C CA . GLU 43 43 ? A -26.406 -11.983 28.488 1.000 1 A 58.590 1 ATOM 706 C C . GLU 43 43 ? A -26.191 -10.956 29.621 1.000 1 A 58.590 1 ATOM 707 O O . GLU 43 43 ? A -26.773 -11.147 30.685 1.000 1 A 58.590 1 ATOM 708 C CB . GLU 43 43 ? A -25.310 -13.068 28.460 1.000 1 A 58.590 1 ATOM 709 C CG . GLU 43 43 ? A -25.621 -14.240 29.397 1.000 1 A 58.590 1 ATOM 710 C CD . GLU 43 43 ? A -24.746 -15.450 29.045 1.000 1 A 58.590 1 ATOM 711 O OE1 . GLU 43 43 ? A -23.713 -15.650 29.720 1.000 1 A 58.590 1 ATOM 712 O OE2 . GLU 43 43 ? A -25.094 -16.145 28.061 1.000 1 A 58.590 1 ATOM 713 H H . GLU 43 43 ? A -25.777 -11.759 26.496 1.000 1 A 58.590 1 ATOM 714 H HA . GLU 43 43 ? A -27.363 -12.465 28.686 1.000 1 A 58.590 1 ATOM 715 H HB2 . GLU 43 43 ? A -25.243 -13.469 27.449 1.000 1 A 58.590 1 ATOM 716 H HB3 . GLU 43 43 ? A -24.342 -12.632 28.707 1.000 1 A 58.590 1 ATOM 717 H HG2 . GLU 43 43 ? A -25.458 -13.930 30.430 1.000 1 A 58.590 1 ATOM 718 H HG3 . GLU 43 43 ? A -26.669 -14.519 29.291 1.000 1 A 58.590 1 ATOM 719 N N . ASP 44 44 ? A -25.460 -9.847 29.428 1.000 1 A 56.300 1 ATOM 720 C CA . ASP 44 44 ? A -25.210 -8.895 30.537 1.000 1 A 56.300 1 ATOM 721 C C . ASP 44 44 ? A -26.411 -7.965 30.822 1.000 1 A 56.300 1 ATOM 722 O O . ASP 44 44 ? A -26.647 -7.570 31.964 1.000 1 A 56.300 1 ATOM 723 C CB . ASP 44 44 ? A -23.914 -8.100 30.289 1.000 1 A 56.300 1 ATOM 724 C CG . ASP 44 44 ? A -23.056 -7.958 31.558 1.000 1 A 56.300 1 ATOM 725 O OD1 . ASP 44 44 ? A -23.228 -6.959 32.297 1.000 1 A 56.300 1 ATOM 726 O OD2 . ASP 44 44 ? A -22.165 -8.819 31.737 1.000 1 A 56.300 1 ATOM 727 H H . ASP 44 44 ? A -25.014 -9.691 28.535 1.000 1 A 56.300 1 ATOM 728 H HA . ASP 44 44 ? A -25.054 -9.480 31.443 1.000 1 A 56.300 1 ATOM 729 H HB2 . ASP 44 44 ? A -23.317 -8.610 29.533 1.000 1 A 56.300 1 ATOM 730 H HB3 . ASP 44 44 ? A -24.157 -7.114 29.891 1.000 1 A 56.300 1 ATOM 731 N N . ASP 45 45 ? A -27.230 -7.653 29.810 1.000 1 A 57.320 1 ATOM 732 C CA . ASP 45 45 ? A -28.403 -6.778 29.986 1.000 1 A 57.320 1 ATOM 733 C C . ASP 45 45 ? A -29.573 -7.521 30.657 1.000 1 A 57.320 1 ATOM 734 O O . ASP 45 45 ? A -30.330 -6.941 31.436 1.000 1 A 57.320 1 ATOM 735 C CB . ASP 45 45 ? A -28.807 -6.144 28.641 1.000 1 A 57.320 1 ATOM 736 C CG . ASP 45 45 ? A -28.917 -4.617 28.749 1.000 1 A 57.320 1 ATOM 737 O OD1 . ASP 45 45 ? A -30.043 -4.114 28.953 1.000 1 A 57.320 1 ATOM 738 O OD2 . ASP 45 45 ? A -27.864 -3.951 28.609 1.000 1 A 57.320 1 ATOM 739 H H . ASP 45 45 ? A -27.043 -8.046 28.899 1.000 1 A 57.320 1 ATOM 740 H HA . ASP 45 45 ? A -28.120 -5.969 30.660 1.000 1 A 57.320 1 ATOM 741 H HB2 . ASP 45 45 ? A -29.757 -6.560 28.305 1.000 1 A 57.320 1 ATOM 742 H HB3 . ASP 45 45 ? A -28.065 -6.382 27.879 1.000 1 A 57.320 1 ATOM 743 N N . HIS 46 46 ? A -29.688 -8.836 30.433 1.000 1 A 62.260 1 ATOM 744 C CA . HIS 46 46 ? A -30.768 -9.637 31.016 1.000 1 A 62.260 1 ATOM 745 C C . HIS 46 46 ? A -30.587 -9.883 32.526 1.000 1 A 62.260 1 ATOM 746 O O . HIS 46 46 ? A -31.574 -10.062 33.236 1.000 1 A 62.260 1 ATOM 747 C CB . HIS 46 46 ? A -30.922 -10.938 30.210 1.000 1 A 62.260 1 ATOM 748 C CG . HIS 46 46 ? A -32.317 -11.520 30.230 1.000 1 A 62.260 1 ATOM 749 N ND1 . HIS 46 46 ? A -32.637 -12.848 30.389 1.000 1 A 62.260 1 ATOM 750 C CD2 . HIS 46 46 ? A -33.492 -10.853 29.999 1.000 1 A 62.260 1 ATOM 751 C CE1 . HIS 46 46 ? A -33.969 -12.975 30.264 1.000 1 A 62.260 1 ATOM 752 N NE2 . HIS 46 46 ? A -34.535 -11.786 30.013 1.000 1 A 62.260 1 ATOM 753 H H . HIS 46 46 ? A -29.018 -9.278 29.820 1.000 1 A 62.260 1 ATOM 754 H HA . HIS 46 46 ? A -31.686 -9.060 30.908 1.000 1 A 62.260 1 ATOM 755 H HB2 . HIS 46 46 ? A -30.208 -11.674 30.578 1.000 1 A 62.260 1 ATOM 756 H HB3 . HIS 46 46 ? A -30.680 -10.738 29.166 1.000 1 A 62.260 1 ATOM 757 H HD1 . HIS 46 46 ? A -31.986 -13.584 30.621 1.000 1 A 62.260 1 ATOM 758 H HD2 . HIS 46 46 ? A -33.592 -9.795 29.806 1.000 1 A 62.260 1 ATOM 759 H HE1 . HIS 46 46 ? A -34.516 -13.901 30.366 1.000 1 A 62.260 1 ATOM 760 N N . TYR 47 47 ? A -29.354 -9.829 33.045 1.000 1 A 59.250 1 ATOM 761 C CA . TYR 47 47 ? A -29.072 -10.036 34.473 1.000 1 A 59.250 1 ATOM 762 C C . TYR 47 47 ? A -29.232 -8.788 35.349 1.000 1 A 59.250 1 ATOM 763 O O . TYR 47 47 ? A -29.271 -8.923 36.567 1.000 1 A 59.250 1 ATOM 764 C CB . TYR 47 47 ? A -27.684 -10.668 34.653 1.000 1 A 59.250 1 ATOM 765 C CG . TYR 47 47 ? A -27.744 -12.174 34.795 1.000 1 A 59.250 1 ATOM 766 C CD1 . TYR 47 47 ? A -28.086 -12.743 36.037 1.000 1 A 59.250 1 ATOM 767 C CD2 . TYR 47 47 ? A -27.484 -13.002 33.687 1.000 1 A 59.250 1 ATOM 768 C CE1 . TYR 47 47 ? A -28.155 -14.143 36.178 1.000 1 A 59.250 1 ATOM 769 C CE2 . TYR 47 47 ? A -27.554 -14.401 33.822 1.000 1 A 59.250 1 ATOM 770 C CZ . TYR 47 47 ? A -27.887 -14.973 35.067 1.000 1 A 59.250 1 ATOM 771 O OH . TYR 47 47 ? A -27.955 -16.324 35.198 1.000 1 A 59.250 1 ATOM 772 H H . TYR 47 47 ? A -28.575 -9.675 32.420 1.000 1 A 59.250 1 ATOM 773 H HA . TYR 47 47 ? A -29.802 -10.746 34.863 1.000 1 A 59.250 1 ATOM 774 H HB2 . TYR 47 47 ? A -27.036 -10.396 33.820 1.000 1 A 59.250 1 ATOM 775 H HB3 . TYR 47 47 ? A -27.217 -10.272 35.555 1.000 1 A 59.250 1 ATOM 776 H HD1 . TYR 47 47 ? A -28.309 -12.099 36.875 1.000 1 A 59.250 1 ATOM 777 H HD2 . TYR 47 47 ? A -27.220 -12.564 32.736 1.000 1 A 59.250 1 ATOM 778 H HE1 . TYR 47 47 ? A -28.422 -14.573 37.132 1.000 1 A 59.250 1 ATOM 779 H HE2 . TYR 47 47 ? A -27.339 -15.043 32.980 1.000 1 A 59.250 1 ATOM 780 H HH . TYR 47 47 ? A -28.195 -16.571 36.095 1.000 1 A 59.250 1 ATOM 781 N N . LYS 48 48 ? A -29.347 -7.581 34.779 1.000 1 A 64.080 1 ATOM 782 C CA . LYS 48 48 ? A -29.609 -6.363 35.574 1.000 1 A 64.080 1 ATOM 783 C C . LYS 48 48 ? A -31.086 -6.115 35.867 1.000 1 A 64.080 1 ATOM 784 O O . LYS 48 48 ? A -31.391 -5.259 36.694 1.000 1 A 64.080 1 ATOM 785 C CB . LYS 48 48 ? A -28.983 -5.139 34.900 1.000 1 A 64.080 1 ATOM 786 C CG . LYS 48 48 ? A -27.509 -5.010 35.286 1.000 1 A 64.080 1 ATOM 787 C CD . LYS 48 48 ? A -26.940 -3.736 34.667 1.000 1 A 64.080 1 ATOM 788 C CE . LYS 48 48 ? A -25.463 -3.625 35.037 1.000 1 A 64.080 1 ATOM 789 N NZ . LYS 48 48 ? A -24.831 -2.520 34.287 1.000 1 A 64.080 1 ATOM 790 H H . LYS 48 48 ? A -29.285 -7.517 33.773 1.000 1 A 64.080 1 ATOM 791 H HA . LYS 48 48 ? A -29.165 -6.485 36.562 1.000 1 A 64.080 1 ATOM 792 H HB2 . LYS 48 48 ? A -29.499 -4.238 35.233 1.000 1 A 64.080 1 ATOM 793 H HB3 . LYS 48 48 ? A -29.090 -5.213 33.818 1.000 1 A 64.080 1 ATOM 794 H HG2 . LYS 48 48 ? A -27.415 -4.960 36.371 1.000 1 A 64.080 1 ATOM 795 H HG3 . LYS 48 48 ? A -26.960 -5.875 34.916 1.000 1 A 64.080 1 ATOM 796 H HD2 . LYS 48 48 ? A -27.047 -3.801 33.585 1.000 1 A 64.080 1 ATOM 797 H HD3 . LYS 48 48 ? A -27.487 -2.869 35.037 1.000 1 A 64.080 1 ATOM 798 H HE2 . LYS 48 48 ? A -25.373 -3.482 36.114 1.000 1 A 64.080 1 ATOM 799 H HE3 . LYS 48 48 ? A -24.982 -4.568 34.777 1.000 1 A 64.080 1 ATOM 800 H HZ1 . LYS 48 48 ? A -25.281 -1.641 34.501 1.000 1 A 64.080 1 ATOM 801 H HZ2 . LYS 48 48 ? A -23.843 -2.484 34.494 1.000 1 A 64.080 1 ATOM 802 H HZ3 . LYS 48 48 ? A -24.934 -2.712 33.301 1.000 1 A 64.080 1 ATOM 803 N N . CYS 49 49 ? A -31.988 -6.803 35.168 1.000 1 A 63.790 1 ATOM 804 C CA . CYS 49 49 ? A -33.432 -6.638 35.341 1.000 1 A 63.790 1 ATOM 805 C C . CYS 49 49 ? A -34.079 -7.743 36.202 1.000 1 A 63.790 1 ATOM 806 O O . CYS 49 49 ? A -35.284 -7.683 36.441 1.000 1 A 63.790 1 ATOM 807 C CB . CYS 49 49 ? A -34.074 -6.469 33.953 1.000 1 A 63.790 1 ATOM 808 S SG . CYS 49 49 ? A -35.382 -5.205 34.011 1.000 1 A 63.790 1 ATOM 809 H H . CYS 49 49 ? A -31.656 -7.496 34.513 1.000 1 A 63.790 1 ATOM 810 H HA . CYS 49 49 ? A -33.604 -5.716 35.898 1.000 1 A 63.790 1 ATOM 811 H HB2 . CYS 49 49 ? A -34.486 -7.421 33.618 1.000 1 A 63.790 1 ATOM 812 H HB3 . CYS 49 49 ? A -33.321 -6.145 33.236 1.000 1 A 63.790 1 ATOM 813 H HG . CYS 49 49 ? A -34.644 -4.252 34.588 1.000 1 A 63.790 1 ATOM 814 N N . LEU 50 50 ? A -33.294 -8.722 36.671 1.000 1 A 50.750 1 ATOM 815 C CA . LEU 50 50 ? A -33.679 -9.699 37.699 1.000 1 A 50.750 1 ATOM 816 C C . LEU 50 50 ? A -33.106 -9.285 39.057 1.000 1 A 50.750 1 ATOM 817 O O . LEU 50 50 ? A -33.835 -9.451 40.059 1.000 1 A 50.750 1 ATOM 818 C CB . LEU 50 50 ? A -33.198 -11.106 37.280 1.000 1 A 50.750 1 ATOM 819 C CG . LEU 50 50 ? A -33.957 -11.740 36.107 1.000 1 A 50.750 1 ATOM 820 C CD1 . LEU 50 50 ? A -33.256 -13.036 35.699 1.000 1 A 50.750 1 ATOM 821 C CD2 . LEU 50 50 ? A -35.400 -12.080 36.488 1.000 1 A 50.750 1 ATOM 822 O OXT . LEU 50 50 ? A -31.941 -8.834 39.052 1.000 1 A 50.750 1 ATOM 823 H H . LEU 50 50 ? A -32.297 -8.629 36.538 1.000 1 A 50.750 1 ATOM 824 H HA . LEU 50 50 ? A -34.760 -9.695 37.838 1.000 1 A 50.750 1 ATOM 825 H HB2 . LEU 50 50 ? A -32.140 -11.034 37.029 1.000 1 A 50.750 1 ATOM 826 H HB3 . LEU 50 50 ? A -33.281 -11.763 38.146 1.000 1 A 50.750 1 ATOM 827 H HG . LEU 50 50 ? A -33.959 -11.063 35.253 1.000 1 A 50.750 1 ATOM 828 H HD11 . LEU 50 50 ? A -33.251 -13.737 36.534 1.000 1 A 50.750 1 ATOM 829 H HD12 . LEU 50 50 ? A -32.230 -12.809 35.409 1.000 1 A 50.750 1 ATOM 830 H HD13 . LEU 50 50 ? A -33.770 -13.475 34.844 1.000 1 A 50.750 1 ATOM 831 H HD21 . LEU 50 50 ? A -35.941 -11.157 36.696 1.000 1 A 50.750 1 ATOM 832 H HD22 . LEU 50 50 ? A -35.414 -12.712 37.375 1.000 1 A 50.750 1 ATOM 833 H HD23 . LEU 50 50 ? A -35.890 -12.588 35.657 1.000 1 A 50.750 1 loop_ _atom_type.symbol C H N O S loop_ _ma_qa_metric.id _ma_qa_metric.name _ma_qa_metric.description _ma_qa_metric.type _ma_qa_metric.mode _ma_qa_metric.type_other_details _ma_qa_metric.software_group_id 1 pLDDT 'Predicted accuracy according to the CA-only lDDT in [0,100]' pLDDT global . . 2 pLDDT 'Predicted accuracy according to the CA-only lDDT in [0,100]' pLDDT local . . loop_ _ma_qa_metric_global.ordinal_id _ma_qa_metric_global.model_id _ma_qa_metric_global.metric_id _ma_qa_metric_global.metric_value 1 1 1 78.275 loop_ _ma_qa_metric_local.ordinal_id _ma_qa_metric_local.model_id _ma_qa_metric_local.label_asym_id _ma_qa_metric_local.label_seq_id _ma_qa_metric_local.label_comp_id _ma_qa_metric_local.metric_id _ma_qa_metric_local.metric_value 1 1 A 1 MET 2 60.980 2 1 A 2 SER 2 76.360 3 1 A 3 GLY 2 86.160 4 1 A 4 PHE 2 87.320 5 1 A 5 MET 2 90.180 6 1 A 6 ASN 2 89.770 7 1 A 7 SER 2 91.580 8 1 A 8 LEU 2 92.670 9 1 A 9 ARG 2 94.260 10 1 A 10 LYS 2 93.480 11 1 A 11 CYS 2 93.800 12 1 A 12 ILE 2 93.710 13 1 A 13 GLY 2 93.760 14 1 A 14 ASN 2 93.940 15 1 A 15 ILE 2 93.960 16 1 A 16 ASN 2 92.860 17 1 A 17 SER 2 93.170 18 1 A 18 HIS 2 92.540 19 1 A 19 LEU 2 92.530 20 1 A 20 GLU 2 92.690 21 1 A 21 GLY 2 92.080 22 1 A 22 PHE 2 90.870 23 1 A 23 MET 2 90.800 24 1 A 24 ARG 2 90.340 25 1 A 25 THR 2 91.760 26 1 A 26 TYR 2 89.550 27 1 A 27 LEU 2 88.780 28 1 A 28 LEU 2 88.140 29 1 A 29 ARG 2 88.340 30 1 A 30 ILE 2 85.510 31 1 A 31 ILE 2 83.200 32 1 A 32 ARG 2 76.160 33 1 A 33 LYS 2 76.350 34 1 A 34 ILE 2 72.430 35 1 A 35 LYS 2 52.790 36 1 A 36 PRO 2 58.470 37 1 A 37 THR 2 55.340 38 1 A 38 THR 2 55.560 39 1 A 39 GLN 2 49.290 40 1 A 40 PRO 2 54.760 41 1 A 41 SER 2 56.580 42 1 A 42 ILE 2 58.570 43 1 A 43 GLU 2 58.590 44 1 A 44 ASP 2 56.300 45 1 A 45 ASP 2 57.320 46 1 A 46 HIS 2 62.260 47 1 A 47 TYR 2 59.250 48 1 A 48 LYS 2 64.080 49 1 A 49 CYS 2 63.790 50 1 A 50 LEU 2 50.750 _database_2.database_id ModelArchive _database_2.database_code ma-asfv-asfvg-024 _database_2.pdbx_DOI 10.5452/ma-asfv-asfvg-024 _pdbx_database_status.entry_id ma-asfv-asfvg-024 _pdbx_database_status.date_coordinates 2022-07-29:17:48 _pdbx_database_status.status_code REL loop_ _pdbx_contact_author.id _pdbx_contact_author.name_salutation _pdbx_contact_author.name_first _pdbx_contact_author.name_last _pdbx_contact_author.name_mi _pdbx_contact_author.email _pdbx_contact_author.address_1 _pdbx_contact_author.address_2 _pdbx_contact_author.address_3 7 Dr. Manuel Borca . manuel.borca@usda.gov ;Plum Island Animal Disease Center, Agricultural Research Service 11944 Greenport New York United States ; . . 8 Dr. Douglas Gladue . douglas.gladue@usda.gov ;Plum Island Animal Disease Center, Agricultural Research Service 11944 Greenport New York United States ; . . loop_ _pdbx_audit_revision_history.ordinal _pdbx_audit_revision_history.data_content_type _pdbx_audit_revision_history.major_revision _pdbx_audit_revision_history.minor_revision _pdbx_audit_revision_history.revision_date 1 'Structure model' 1 0 2022-09-30 2 'Structure model' 1 1 2023-06-29 3 'Structure model' 1 2 2023-07-19 4 'Structure model' 1 3 2023-07-20 loop_ _pdbx_audit_revision_details.ordinal _pdbx_audit_revision_details.revision_ordinal _pdbx_audit_revision_details.data_content_type _pdbx_audit_revision_details.provider _pdbx_audit_revision_details.type _pdbx_audit_revision_details.description 1 1 'Structure model' repository 'Initial release' ? 2 3 'Structure model' repository Remediation 'Reference database remediation' loop_ _pdbx_audit_revision_group.ordinal _pdbx_audit_revision_group.revision_ordinal _pdbx_audit_revision_group.data_content_type _pdbx_audit_revision_group.group 1 2 'Structure model' 'Database references' 2 2 'Structure model' 'Source and taxonomy' 3 3 'Structure model' Other 4 3 'Structure model' 'Database references' 5 4 'Structure model' Other loop_ _pdbx_audit_revision_category.ordinal _pdbx_audit_revision_category.revision_ordinal _pdbx_audit_revision_category.data_content_type _pdbx_audit_revision_category.category 1 2 'Structure model' ma_target_ref_db_details 2 3 'Structure model' ma_data 3 3 'Structure model' ma_data_group 4 3 'Structure model' ma_data_ref_db 5 4 'Structure model' exptl loop_ _pdbx_audit_revision_item.ordinal _pdbx_audit_revision_item.revision_ordinal _pdbx_audit_revision_item.data_content_type _pdbx_audit_revision_item.item 1 2 'Structure model' '_ma_target_ref_db_details.db_accession' 2 2 'Structure model' '_ma_target_ref_db_details.db_code' 3 3 'Structure model' '_ma_data.id' 4 3 'Structure model' '_ma_data.name' 5 3 'Structure model' '_ma_data.content_type' 6 3 'Structure model' '_ma_data.content_type_other_details' 7 3 'Structure model' '_ma_data_group.ordinal_id' 8 3 'Structure model' '_ma_data_group.group_id' 9 3 'Structure model' '_ma_data_group.data_id' 10 3 'Structure model' '_ma_data_ref_db.data_id' 11 3 'Structure model' '_ma_data_ref_db.name' 12 3 'Structure model' '_ma_data_ref_db.location_url' 13 3 'Structure model' '_ma_data_ref_db.version' 14 3 'Structure model' '_ma_data_ref_db.release_date' 15 4 'Structure model' '_exptl.entry_id' 16 4 'Structure model' '_exptl.method'