data_ma-asfv-asfvg-015 _entry.id ma-asfv-asfvg-015 _entry.ma_collection_id ma-asfv-asfvg _struct.entry_id ma-asfv-asfvg-015 _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 00210' _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 ALA 'L-peptide linking' ALANINE 'C3 H7 N O2' 89.094 'CCD Core' 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' VAL 'L-peptide linking' VALINE 'C5 H11 N O2' 117.148 '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 00210 protein' 8515.601 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 . A0A3Q9D0S8_ASF A0A3Q9D0S8 . 1 63 10497 'African swine fever virus (ASFV)' 2019-04-10 68A419172124FC80 1 NCBI . CAD2068357.1 1886136882 . 1 63 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 MAATYKLQLMGCNTATYRLHLIDRDSKGMKTLPSIQNLSFNPDNVSVYEKKFFLLMYEFLYES MAATYKLQLMGCNTATYRLHLIDRDSKGMKTLPSIQNLSFNPDNVSVYEKKFFLLMYEFLYES loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 MET . 1 2 ALA . 1 3 ALA . 1 4 THR . 1 5 TYR . 1 6 LYS . 1 7 LEU . 1 8 GLN . 1 9 LEU . 1 10 MET . 1 11 GLY . 1 12 CYS . 1 13 ASN . 1 14 THR . 1 15 ALA . 1 16 THR . 1 17 TYR . 1 18 ARG . 1 19 LEU . 1 20 HIS . 1 21 LEU . 1 22 ILE . 1 23 ASP . 1 24 ARG . 1 25 ASP . 1 26 SER . 1 27 LYS . 1 28 GLY . 1 29 MET . 1 30 LYS . 1 31 THR . 1 32 LEU . 1 33 PRO . 1 34 SER . 1 35 ILE . 1 36 GLN . 1 37 ASN . 1 38 LEU . 1 39 SER . 1 40 PHE . 1 41 ASN . 1 42 PRO . 1 43 ASP . 1 44 ASN . 1 45 VAL . 1 46 SER . 1 47 VAL . 1 48 TYR . 1 49 GLU . 1 50 LYS . 1 51 LYS . 1 52 PHE . 1 53 PHE . 1 54 LEU . 1 55 LEU . 1 56 MET . 1 57 TYR . 1 58 GLU . 1 59 PHE . 1 60 LEU . 1 61 TYR . 1 62 GLU . 1 63 SER . 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 ALA 2 2 ALA ALA A . A 1 3 ALA 3 3 ALA ALA A . A 1 4 THR 4 4 THR THR A . A 1 5 TYR 5 5 TYR TYR A . A 1 6 LYS 6 6 LYS LYS A . A 1 7 LEU 7 7 LEU LEU A . A 1 8 GLN 8 8 GLN GLN A . A 1 9 LEU 9 9 LEU LEU A . A 1 10 MET 10 10 MET MET A . A 1 11 GLY 11 11 GLY GLY A . A 1 12 CYS 12 12 CYS CYS A . A 1 13 ASN 13 13 ASN ASN A . A 1 14 THR 14 14 THR THR A . A 1 15 ALA 15 15 ALA ALA A . A 1 16 THR 16 16 THR THR A . A 1 17 TYR 17 17 TYR TYR A . A 1 18 ARG 18 18 ARG ARG A . A 1 19 LEU 19 19 LEU LEU A . A 1 20 HIS 20 20 HIS HIS A . A 1 21 LEU 21 21 LEU LEU A . A 1 22 ILE 22 22 ILE ILE A . A 1 23 ASP 23 23 ASP ASP A . A 1 24 ARG 24 24 ARG ARG A . A 1 25 ASP 25 25 ASP ASP A . A 1 26 SER 26 26 SER SER A . A 1 27 LYS 27 27 LYS LYS A . A 1 28 GLY 28 28 GLY GLY A . A 1 29 MET 29 29 MET MET A . A 1 30 LYS 30 30 LYS LYS A . A 1 31 THR 31 31 THR THR A . A 1 32 LEU 32 32 LEU LEU A . A 1 33 PRO 33 33 PRO PRO A . A 1 34 SER 34 34 SER SER A . A 1 35 ILE 35 35 ILE ILE A . A 1 36 GLN 36 36 GLN GLN A . A 1 37 ASN 37 37 ASN ASN A . A 1 38 LEU 38 38 LEU LEU A . A 1 39 SER 39 39 SER SER A . A 1 40 PHE 40 40 PHE PHE A . A 1 41 ASN 41 41 ASN ASN A . A 1 42 PRO 42 42 PRO PRO A . A 1 43 ASP 43 43 ASP ASP A . A 1 44 ASN 44 44 ASN ASN A . A 1 45 VAL 45 45 VAL VAL A . A 1 46 SER 46 46 SER SER A . A 1 47 VAL 47 47 VAL VAL A . A 1 48 TYR 48 48 TYR TYR A . A 1 49 GLU 49 49 GLU GLU A . A 1 50 LYS 50 50 LYS LYS A . A 1 51 LYS 51 51 LYS LYS A . A 1 52 PHE 52 52 PHE PHE A . A 1 53 PHE 53 53 PHE PHE A . A 1 54 LEU 54 54 LEU LEU A . A 1 55 LEU 55 55 LEU LEU A . A 1 56 MET 56 56 MET MET A . A 1 57 TYR 57 57 TYR TYR A . A 1 58 GLU 58 58 GLU GLU A . A 1 59 PHE 59 59 PHE PHE A . A 1 60 LEU 60 60 LEU LEU A . A 1 61 TYR 61 61 TYR TYR A . A 1 62 GLU 62 62 GLU GLU A . A 1 63 SER 63 63 SER SER A . loop_ _ma_data.id _ma_data.name _ma_data.content_type _ma_data.content_type_other_details 1 'ASFV-G ASFV G ACD 00210 protein' target . 2 'Model 1 (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 1 (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 15.002 -2.467 -13.064 1.000 1 A 49.800 1 ATOM 2 C CA . MET 1 1 ? A 14.082 -1.314 -13.136 1.000 1 A 49.800 1 ATOM 3 C C . MET 1 1 ? A 13.127 -1.476 -11.965 1.000 1 A 49.800 1 ATOM 4 O O . MET 1 1 ? A 12.375 -2.439 -11.968 1.000 1 A 49.800 1 ATOM 5 C CB . MET 1 1 ? A 13.390 -1.300 -14.515 1.000 1 A 49.800 1 ATOM 6 C CG . MET 1 1 ? A 12.876 0.067 -14.974 1.000 1 A 49.800 1 ATOM 7 S SD . MET 1 1 ? A 12.716 0.136 -16.781 1.000 1 A 49.800 1 ATOM 8 C CE . MET 1 1 ? A 11.893 1.743 -16.981 1.000 1 A 49.800 1 ATOM 9 H H . MET 1 1 ? A 14.455 -3.315 -13.112 1.000 1 A 49.800 1 ATOM 10 H H2 . MET 1 1 ? A 15.657 -2.447 -13.833 1.000 1 A 49.800 1 ATOM 11 H HA . MET 1 1 ? A 14.642 -0.386 -13.014 1.000 1 A 49.800 1 ATOM 12 H HB2 . MET 1 1 ? A 14.130 -1.615 -15.251 1.000 1 A 49.800 1 ATOM 13 H HB3 . MET 1 1 ? A 12.577 -2.025 -14.547 1.000 1 A 49.800 1 ATOM 14 H HG2 . MET 1 1 ? A 13.576 0.844 -14.666 1.000 1 A 49.800 1 ATOM 15 H HG3 . MET 1 1 ? A 11.909 0.265 -14.513 1.000 1 A 49.800 1 ATOM 16 H HE1 . MET 1 1 ? A 12.508 2.535 -16.553 1.000 1 A 49.800 1 ATOM 17 H HE2 . MET 1 1 ? A 11.733 1.946 -18.040 1.000 1 A 49.800 1 ATOM 18 H HE3 . MET 1 1 ? A 10.928 1.733 -16.475 1.000 1 A 49.800 1 ATOM 19 H H3 . MET 1 1 ? A 15.501 -2.464 -12.186 1.000 1 A 49.800 1 ATOM 20 N N . ALA 2 2 ? A 13.281 -0.678 -10.905 1.000 1 A 56.400 1 ATOM 21 C CA . ALA 2 2 ? A 12.434 -0.765 -9.715 1.000 1 A 56.400 1 ATOM 22 C C . ALA 2 2 ? A 11.241 0.179 -9.908 1.000 1 A 56.400 1 ATOM 23 O O . ALA 2 2 ? A 11.438 1.379 -10.100 1.000 1 A 56.400 1 ATOM 24 C CB . ALA 2 2 ? A 13.264 -0.429 -8.468 1.000 1 A 56.400 1 ATOM 25 H H . ALA 2 2 ? A 13.883 0.132 -10.951 1.000 1 A 56.400 1 ATOM 26 H HA . ALA 2 2 ? A 12.056 -1.780 -9.594 1.000 1 A 56.400 1 ATOM 27 H HB1 . ALA 2 2 ? A 14.089 -1.134 -8.360 1.000 1 A 56.400 1 ATOM 28 H HB2 . ALA 2 2 ? A 13.657 0.586 -8.531 1.000 1 A 56.400 1 ATOM 29 H HB3 . ALA 2 2 ? A 12.635 -0.501 -7.581 1.000 1 A 56.400 1 ATOM 30 N N . ALA 3 3 ? A 10.026 -0.366 -9.924 1.000 1 A 57.880 1 ATOM 31 C CA . ALA 3 3 ? A 8.811 0.437 -9.902 1.000 1 A 57.880 1 ATOM 32 C C . ALA 3 3 ? A 8.594 0.933 -8.470 1.000 1 A 57.880 1 ATOM 33 O O . ALA 3 3 ? A 8.545 0.133 -7.539 1.000 1 A 57.880 1 ATOM 34 C CB . ALA 3 3 ? A 7.634 -0.401 -10.410 1.000 1 A 57.880 1 ATOM 35 H H . ALA 3 3 ? A 9.930 -1.354 -9.736 1.000 1 A 57.880 1 ATOM 36 H HA . ALA 3 3 ? A 8.927 1.299 -10.559 1.000 1 A 57.880 1 ATOM 37 H HB1 . ALA 3 3 ? A 6.721 0.190 -10.334 1.000 1 A 57.880 1 ATOM 38 H HB2 . ALA 3 3 ? A 7.797 -0.680 -11.450 1.000 1 A 57.880 1 ATOM 39 H HB3 . ALA 3 3 ? A 7.521 -1.298 -9.801 1.000 1 A 57.880 1 ATOM 40 N N . THR 4 4 ? A 8.476 2.243 -8.292 1.000 1 A 58.940 1 ATOM 41 C CA . THR 4 4 ? A 8.152 2.842 -6.994 1.000 1 A 58.940 1 ATOM 42 C C . THR 4 4 ? A 6.638 2.962 -6.903 1.000 1 A 58.940 1 ATOM 43 O O . THR 4 4 ? A 5.994 3.262 -7.901 1.000 1 A 58.940 1 ATOM 44 C CB . THR 4 4 ? A 8.835 4.209 -6.846 1.000 1 A 58.940 1 ATOM 45 O OG1 . THR 4 4 ? A 10.219 4.106 -7.097 1.000 1 A 58.940 1 ATOM 46 C CG2 . THR 4 4 ? A 8.682 4.804 -5.448 1.000 1 A 58.940 1 ATOM 47 H H . THR 4 4 ? A 8.462 2.846 -9.102 1.000 1 A 58.940 1 ATOM 48 H HA . THR 4 4 ? A 8.500 2.193 -6.190 1.000 1 A 58.940 1 ATOM 49 H HB . THR 4 4 ? A 8.412 4.903 -7.573 1.000 1 A 58.940 1 ATOM 50 H HG1 . THR 4 4 ? A 10.556 3.378 -6.570 1.000 1 A 58.940 1 ATOM 51 H HG21 . THR 4 4 ? A 9.028 4.094 -4.697 1.000 1 A 58.940 1 ATOM 52 H HG22 . THR 4 4 ? A 9.274 5.716 -5.373 1.000 1 A 58.940 1 ATOM 53 H HG23 . THR 4 4 ? A 7.638 5.051 -5.256 1.000 1 A 58.940 1 ATOM 54 N N . TYR 5 5 ? A 6.033 2.770 -5.734 1.000 1 A 60.470 1 ATOM 55 C CA . TYR 5 5 ? A 4.605 3.042 -5.566 1.000 1 A 60.470 1 ATOM 56 C C . TYR 5 5 ? A 4.425 4.184 -4.575 1.000 1 A 60.470 1 ATOM 57 O O . TYR 5 5 ? A 5.285 4.473 -3.745 1.000 1 A 60.470 1 ATOM 58 C CB . TYR 5 5 ? A 3.729 1.796 -5.295 1.000 1 A 60.470 1 ATOM 59 C CG . TYR 5 5 ? A 4.056 0.514 -6.046 1.000 1 A 60.470 1 ATOM 60 C CD1 . TYR 5 5 ? A 3.040 -0.090 -6.810 1.000 1 A 60.470 1 ATOM 61 C CD2 . TYR 5 5 ? A 5.327 -0.100 -5.982 1.000 1 A 60.470 1 ATOM 62 C CE1 . TYR 5 5 ? A 3.303 -1.266 -7.532 1.000 1 A 60.470 1 ATOM 63 C CE2 . TYR 5 5 ? A 5.617 -1.217 -6.780 1.000 1 A 60.470 1 ATOM 64 C CZ . TYR 5 5 ? A 4.601 -1.807 -7.556 1.000 1 A 60.470 1 ATOM 65 O OH . TYR 5 5 ? A 4.857 -2.909 -8.305 1.000 1 A 60.470 1 ATOM 66 H H . TYR 5 5 ? A 6.578 2.551 -4.913 1.000 1 A 60.470 1 ATOM 67 H HA . TYR 5 5 ? A 4.221 3.433 -6.508 1.000 1 A 60.470 1 ATOM 68 H HB2 . TYR 5 5 ? A 2.720 2.093 -5.581 1.000 1 A 60.470 1 ATOM 69 H HB3 . TYR 5 5 ? A 3.626 1.564 -4.235 1.000 1 A 60.470 1 ATOM 70 H HD1 . TYR 5 5 ? A 2.047 0.336 -6.832 1.000 1 A 60.470 1 ATOM 71 H HD2 . TYR 5 5 ? A 6.113 0.294 -5.355 1.000 1 A 60.470 1 ATOM 72 H HE1 . TYR 5 5 ? A 2.521 -1.773 -8.078 1.000 1 A 60.470 1 ATOM 73 H HE2 . TYR 5 5 ? A 6.615 -1.632 -6.768 1.000 1 A 60.470 1 ATOM 74 H HH . TYR 5 5 ? A 5.764 -3.203 -8.189 1.000 1 A 60.470 1 ATOM 75 N N . LYS 6 6 ? A 3.305 4.886 -4.686 1.000 1 A 63.380 1 ATOM 76 C CA . LYS 6 6 ? A 2.933 5.945 -3.758 1.000 1 A 63.380 1 ATOM 77 C C . LYS 6 6 ? A 1.523 5.695 -3.277 1.000 1 A 63.380 1 ATOM 78 O O . LYS 6 6 ? A 0.590 5.625 -4.076 1.000 1 A 63.380 1 ATOM 79 C CB . LYS 6 6 ? A 3.140 7.306 -4.424 1.000 1 A 63.380 1 ATOM 80 C CG . LYS 6 6 ? A 2.821 8.473 -3.483 1.000 1 A 63.380 1 ATOM 81 C CD . LYS 6 6 ? A 3.113 9.806 -4.180 1.000 1 A 63.380 1 ATOM 82 C CE . LYS 6 6 ? A 2.827 10.958 -3.214 1.000 1 A 63.380 1 ATOM 83 N NZ . LYS 6 6 ? A 3.075 12.274 -3.852 1.000 1 A 63.380 1 ATOM 84 H H . LYS 6 6 ? A 2.675 4.645 -5.438 1.000 1 A 63.380 1 ATOM 85 H HA . LYS 6 6 ? A 3.591 5.902 -2.889 1.000 1 A 63.380 1 ATOM 86 H HB2 . LYS 6 6 ? A 2.524 7.378 -5.320 1.000 1 A 63.380 1 ATOM 87 H HB3 . LYS 6 6 ? A 4.190 7.374 -4.711 1.000 1 A 63.380 1 ATOM 88 H HG2 . LYS 6 6 ? A 1.769 8.441 -3.201 1.000 1 A 63.380 1 ATOM 89 H HG3 . LYS 6 6 ? A 3.435 8.390 -2.586 1.000 1 A 63.380 1 ATOM 90 H HD2 . LYS 6 6 ? A 4.160 9.831 -4.484 1.000 1 A 63.380 1 ATOM 91 H HD3 . LYS 6 6 ? A 2.479 9.894 -5.062 1.000 1 A 63.380 1 ATOM 92 H HE2 . LYS 6 6 ? A 1.788 10.887 -2.890 1.000 1 A 63.380 1 ATOM 93 H HE3 . LYS 6 6 ? A 3.458 10.838 -2.334 1.000 1 A 63.380 1 ATOM 94 H HZ1 . LYS 6 6 ? A 4.034 12.338 -4.162 1.000 1 A 63.380 1 ATOM 95 H HZ2 . LYS 6 6 ? A 2.461 12.395 -4.645 1.000 1 A 63.380 1 ATOM 96 H HZ3 . LYS 6 6 ? A 2.898 13.019 -3.193 1.000 1 A 63.380 1 ATOM 97 N N . LEU 7 7 ? A 1.389 5.578 -1.964 1.000 1 A 64.480 1 ATOM 98 C CA . LEU 7 7 ? A 0.112 5.475 -1.286 1.000 1 A 64.480 1 ATOM 99 C C . LEU 7 7 ? A -0.355 6.888 -0.910 1.000 1 A 64.480 1 ATOM 100 O O . LEU 7 7 ? A 0.327 7.588 -0.164 1.000 1 A 64.480 1 ATOM 101 C CB . LEU 7 7 ? A 0.305 4.552 -0.072 1.000 1 A 64.480 1 ATOM 102 C CG . LEU 7 7 ? A -1.024 4.085 0.530 1.000 1 A 64.480 1 ATOM 103 C CD1 . LEU 7 7 ? A -1.687 3.009 -0.333 1.000 1 A 64.480 1 ATOM 104 C CD2 . LEU 7 7 ? A -0.795 3.527 1.933 1.000 1 A 64.480 1 ATOM 105 H H . LEU 7 7 ? A 2.220 5.615 -1.391 1.000 1 A 64.480 1 ATOM 106 H HA . LEU 7 7 ? A -0.615 5.026 -1.962 1.000 1 A 64.480 1 ATOM 107 H HB2 . LEU 7 7 ? A 0.882 3.674 -0.363 1.000 1 A 64.480 1 ATOM 108 H HB3 . LEU 7 7 ? A 0.878 5.088 0.685 1.000 1 A 64.480 1 ATOM 109 H HG . LEU 7 7 ? A -1.690 4.946 0.590 1.000 1 A 64.480 1 ATOM 110 H HD11 . LEU 7 7 ? A -0.983 2.197 -0.518 1.000 1 A 64.480 1 ATOM 111 H HD12 . LEU 7 7 ? A -2.013 3.424 -1.287 1.000 1 A 64.480 1 ATOM 112 H HD13 . LEU 7 7 ? A -2.548 2.589 0.187 1.000 1 A 64.480 1 ATOM 113 H HD21 . LEU 7 7 ? A -1.744 3.222 2.375 1.000 1 A 64.480 1 ATOM 114 H HD22 . LEU 7 7 ? A -0.346 4.289 2.570 1.000 1 A 64.480 1 ATOM 115 H HD23 . LEU 7 7 ? A -0.132 2.664 1.887 1.000 1 A 64.480 1 ATOM 116 N N . GLN 8 8 ? A -1.493 7.329 -1.444 1.000 1 A 66.100 1 ATOM 117 C CA . GLN 8 8 ? A -2.060 8.647 -1.151 1.000 1 A 66.100 1 ATOM 118 C C . GLN 8 8 ? A -3.380 8.510 -0.391 1.000 1 A 66.100 1 ATOM 119 O O . GLN 8 8 ? A -4.325 7.926 -0.914 1.000 1 A 66.100 1 ATOM 120 C CB . GLN 8 8 ? A -2.196 9.447 -2.457 1.000 1 A 66.100 1 ATOM 121 C CG . GLN 8 8 ? A -2.771 10.852 -2.211 1.000 1 A 66.100 1 ATOM 122 C CD . GLN 8 8 ? A -2.696 11.762 -3.434 1.000 1 A 66.100 1 ATOM 123 O OE1 . GLN 8 8 ? A -1.877 11.611 -4.328 1.000 1 A 66.100 1 ATOM 124 N NE2 . GLN 8 8 ? A -3.516 12.787 -3.490 1.000 1 A 66.100 1 ATOM 125 H H . GLN 8 8 ? A -1.968 6.738 -2.112 1.000 1 A 66.100 1 ATOM 126 H HA . GLN 8 8 ? A -1.374 9.202 -0.511 1.000 1 A 66.100 1 ATOM 127 H HB2 . GLN 8 8 ? A -2.839 8.912 -3.156 1.000 1 A 66.100 1 ATOM 128 H HB3 . GLN 8 8 ? A -1.205 9.538 -2.901 1.000 1 A 66.100 1 ATOM 129 H HG2 . GLN 8 8 ? A -3.814 10.762 -1.908 1.000 1 A 66.100 1 ATOM 130 H HG3 . GLN 8 8 ? A -2.225 11.334 -1.400 1.000 1 A 66.100 1 ATOM 131 H HE21 . GLN 8 8 ? A -4.220 12.912 -2.776 1.000 1 A 66.100 1 ATOM 132 H HE22 . GLN 8 8 ? A -3.441 13.384 -4.301 1.000 1 A 66.100 1 ATOM 133 N N . LEU 9 9 ? A -3.449 9.073 0.820 1.000 1 A 66.660 1 ATOM 134 C CA . LEU 9 9 ? A -4.682 9.176 1.605 1.000 1 A 66.660 1 ATOM 135 C C . LEU 9 9 ? A -5.577 10.285 1.024 1.000 1 A 66.660 1 ATOM 136 O O . LEU 9 9 ? A -5.138 11.421 0.857 1.000 1 A 66.660 1 ATOM 137 C CB . LEU 9 9 ? A -4.318 9.434 3.081 1.000 1 A 66.660 1 ATOM 138 C CG . LEU 9 9 ? A -5.526 9.445 4.040 1.000 1 A 66.660 1 ATOM 139 C CD1 . LEU 9 9 ? A -6.111 8.047 4.237 1.000 1 A 66.660 1 ATOM 140 C CD2 . LEU 9 9 ? A -5.104 9.978 5.409 1.000 1 A 66.660 1 ATOM 141 H H . LEU 9 9 ? A -2.629 9.533 1.186 1.000 1 A 66.660 1 ATOM 142 H HA . LEU 9 9 ? A -5.212 8.226 1.537 1.000 1 A 66.660 1 ATOM 143 H HB2 . LEU 9 9 ? A -3.617 8.670 3.416 1.000 1 A 66.660 1 ATOM 144 H HB3 . LEU 9 9 ? A -3.817 10.400 3.144 1.000 1 A 66.660 1 ATOM 145 H HG . LEU 9 9 ? A -6.302 10.101 3.645 1.000 1 A 66.660 1 ATOM 146 H HD11 . LEU 9 9 ? A -5.360 7.385 4.666 1.000 1 A 66.660 1 ATOM 147 H HD12 . LEU 9 9 ? A -6.464 7.634 3.292 1.000 1 A 66.660 1 ATOM 148 H HD13 . LEU 9 9 ? A -6.953 8.107 4.927 1.000 1 A 66.660 1 ATOM 149 H HD21 . LEU 9 9 ? A -5.968 9.999 6.073 1.000 1 A 66.660 1 ATOM 150 H HD22 . LEU 9 9 ? A -4.722 10.994 5.311 1.000 1 A 66.660 1 ATOM 151 H HD23 . LEU 9 9 ? A -4.334 9.340 5.844 1.000 1 A 66.660 1 ATOM 152 N N . MET 10 10 ? A -6.825 9.949 0.709 1.000 1 A 67.480 1 ATOM 153 C CA . MET 10 10 ? A -7.801 10.819 0.042 1.000 1 A 67.480 1 ATOM 154 C C . MET 10 10 ? A -8.903 11.336 0.978 1.000 1 A 67.480 1 ATOM 155 O O . MET 10 10 ? A -9.645 12.233 0.589 1.000 1 A 67.480 1 ATOM 156 C CB . MET 10 10 ? A -8.425 10.059 -1.141 1.000 1 A 67.480 1 ATOM 157 C CG . MET 10 10 ? A -7.453 9.776 -2.295 1.000 1 A 67.480 1 ATOM 158 S SD . MET 10 10 ? A -6.830 11.219 -3.211 1.000 1 A 67.480 1 ATOM 159 C CE . MET 10 10 ? A -8.384 12.028 -3.689 1.000 1 A 67.480 1 ATOM 160 H H . MET 10 10 ? A -7.075 8.977 0.823 1.000 1 A 67.480 1 ATOM 161 H HA . MET 10 10 ? A -7.294 11.700 -0.350 1.000 1 A 67.480 1 ATOM 162 H HB2 . MET 10 10 ? A -9.277 10.620 -1.527 1.000 1 A 67.480 1 ATOM 163 H HB3 . MET 10 10 ? A -8.812 9.106 -0.782 1.000 1 A 67.480 1 ATOM 164 H HG2 . MET 10 10 ? A -7.971 9.133 -3.006 1.000 1 A 67.480 1 ATOM 165 H HG3 . MET 10 10 ? A -6.600 9.217 -1.909 1.000 1 A 67.480 1 ATOM 166 H HE1 . MET 10 10 ? A -8.891 12.410 -2.803 1.000 1 A 67.480 1 ATOM 167 H HE2 . MET 10 10 ? A -9.032 11.318 -4.202 1.000 1 A 67.480 1 ATOM 168 H HE3 . MET 10 10 ? A -8.165 12.867 -4.350 1.000 1 A 67.480 1 ATOM 169 N N . GLY 11 11 ? A -9.033 10.802 2.196 1.000 1 A 62.280 1 ATOM 170 C CA . GLY 11 11 ? A -10.069 11.222 3.141 1.000 1 A 62.280 1 ATOM 171 C C . GLY 11 11 ? A -9.805 10.755 4.571 1.000 1 A 62.280 1 ATOM 172 O O . GLY 11 11 ? A -9.200 9.706 4.778 1.000 1 A 62.280 1 ATOM 173 H H . GLY 11 11 ? A -8.390 10.082 2.494 1.000 1 A 62.280 1 ATOM 174 H HA2 . GLY 11 11 ? A -11.031 10.822 2.823 1.000 1 A 62.280 1 ATOM 175 H HA3 . GLY 11 11 ? A -10.133 12.310 3.137 1.000 1 A 62.280 1 ATOM 176 N N . CYS 12 12 ? A -10.258 11.551 5.548 1.000 1 A 60.510 1 ATOM 177 C CA . CYS 12 12 ? A -10.052 11.288 6.978 1.000 1 A 60.510 1 ATOM 178 C C . CYS 12 12 ? A -11.164 10.435 7.613 1.000 1 A 60.510 1 ATOM 179 O O . CYS 12 12 ? A -10.882 9.675 8.530 1.000 1 A 60.510 1 ATOM 180 C CB . CYS 12 12 ? A -9.895 12.620 7.729 1.000 1 A 60.510 1 ATOM 181 S SG . CYS 12 12 ? A -8.408 13.498 7.162 1.000 1 A 60.510 1 ATOM 182 H H . CYS 12 12 ? A -10.656 12.443 5.293 1.000 1 A 60.510 1 ATOM 183 H HA . CYS 12 12 ? A -9.128 10.725 7.108 1.000 1 A 60.510 1 ATOM 184 H HB2 . CYS 12 12 ? A -9.791 12.405 8.793 1.000 1 A 60.510 1 ATOM 185 H HB3 . CYS 12 12 ? A -10.779 13.242 7.594 1.000 1 A 60.510 1 ATOM 186 H HG . CYS 12 12 ? A -8.434 14.471 8.078 1.000 1 A 60.510 1 ATOM 187 N N . ASN 13 13 ? A -12.406 10.521 7.119 1.000 1 A 61.720 1 ATOM 188 C CA . ASN 13 13 ? A -13.550 9.787 7.693 1.000 1 A 61.720 1 ATOM 189 C C . ASN 13 13 ? A -13.699 8.372 7.115 1.000 1 A 61.720 1 ATOM 190 O O . ASN 13 13 ? A -14.319 7.495 7.701 1.000 1 A 61.720 1 ATOM 191 C CB . ASN 13 13 ? A -14.839 10.595 7.463 1.000 1 A 61.720 1 ATOM 192 C CG . ASN 13 13 ? A -14.873 11.928 8.190 1.000 1 A 61.720 1 ATOM 193 O OD1 . ASN 13 13 ? A -13.956 12.335 8.880 1.000 1 A 61.720 1 ATOM 194 N ND2 . ASN 13 13 ? A -15.929 12.685 8.021 1.000 1 A 61.720 1 ATOM 195 H H . ASN 13 13 ? A -12.591 11.218 6.411 1.000 1 A 61.720 1 ATOM 196 H HA . ASN 13 13 ? A -13.404 9.673 8.767 1.000 1 A 61.720 1 ATOM 197 H HB2 . ASN 13 13 ? A -15.681 10.007 7.828 1.000 1 A 61.720 1 ATOM 198 H HB3 . ASN 13 13 ? A -14.983 10.768 6.397 1.000 1 A 61.720 1 ATOM 199 H HD21 . ASN 13 13 ? A -15.945 13.536 8.565 1.000 1 A 61.720 1 ATOM 200 H HD22 . ASN 13 13 ? A -16.733 12.341 7.516 1.000 1 A 61.720 1 ATOM 201 N N . THR 14 14 ? A -13.135 8.149 5.933 1.000 1 A 57.740 1 ATOM 202 C CA . THR 14 14 ? A -13.020 6.846 5.284 1.000 1 A 57.740 1 ATOM 203 C C . THR 14 14 ? A -11.628 6.853 4.693 1.000 1 A 57.740 1 ATOM 204 O O . THR 14 14 ? A -11.352 7.658 3.798 1.000 1 A 57.740 1 ATOM 205 C CB . THR 14 14 ? A -14.093 6.627 4.200 1.000 1 A 57.740 1 ATOM 206 O OG1 . THR 14 14 ? A -15.316 7.222 4.567 1.000 1 A 57.740 1 ATOM 207 C CG2 . THR 14 14 ? A -14.379 5.144 3.982 1.000 1 A 57.740 1 ATOM 208 H H . THR 14 14 ? A -12.638 8.916 5.503 1.000 1 A 57.740 1 ATOM 209 H HA . THR 14 14 ? A -13.100 6.051 6.026 1.000 1 A 57.740 1 ATOM 210 H HB . THR 14 14 ? A -13.771 7.073 3.259 1.000 1 A 57.740 1 ATOM 211 H HG1 . THR 14 14 ? A -15.494 6.974 5.477 1.000 1 A 57.740 1 ATOM 212 H HG21 . THR 14 14 ? A -13.472 4.637 3.654 1.000 1 A 57.740 1 ATOM 213 H HG22 . THR 14 14 ? A -15.141 5.035 3.209 1.000 1 A 57.740 1 ATOM 214 H HG23 . THR 14 14 ? A -14.741 4.693 4.905 1.000 1 A 57.740 1 ATOM 215 N N . ALA 15 15 ? A -10.735 6.039 5.250 1.000 1 A 61.160 1 ATOM 216 C CA . ALA 15 15 ? A -9.337 5.976 4.875 1.000 1 A 61.160 1 ATOM 217 C C . ALA 15 15 ? A -9.258 5.381 3.465 1.000 1 A 61.160 1 ATOM 218 O O . ALA 15 15 ? A -9.172 4.174 3.244 1.000 1 A 61.160 1 ATOM 219 C CB . ALA 15 15 ? A -8.568 5.211 5.956 1.000 1 A 61.160 1 ATOM 220 H H . ALA 15 15 ? A -11.068 5.314 5.870 1.000 1 A 61.160 1 ATOM 221 H HA . ALA 15 15 ? A -8.946 6.993 4.846 1.000 1 A 61.160 1 ATOM 222 H HB1 . ALA 15 15 ? A -8.806 4.148 5.912 1.000 1 A 61.160 1 ATOM 223 H HB2 . ALA 15 15 ? A -7.499 5.367 5.819 1.000 1 A 61.160 1 ATOM 224 H HB3 . ALA 15 15 ? A -8.835 5.595 6.941 1.000 1 A 61.160 1 ATOM 225 N N . THR 16 16 ? A -9.420 6.270 2.492 1.000 1 A 60.800 1 ATOM 226 C CA . THR 16 16 ? A -9.400 5.951 1.075 1.000 1 A 60.800 1 ATOM 227 C C . THR 16 16 ? A -7.987 6.163 0.604 1.000 1 A 60.800 1 ATOM 228 O O . THR 16 16 ? A -7.496 7.288 0.613 1.000 1 A 60.800 1 ATOM 229 C CB . THR 16 16 ? A -10.390 6.809 0.285 1.000 1 A 60.800 1 ATOM 230 O OG1 . THR 16 16 ? A -11.690 6.627 0.793 1.000 1 A 60.800 1 ATOM 231 C CG2 . THR 16 16 ? A -10.393 6.442 -1.201 1.000 1 A 60.800 1 ATOM 232 H H . THR 16 16 ? A -9.616 7.219 2.775 1.000 1 A 60.800 1 ATOM 233 H HA . THR 16 16 ? A -9.661 4.903 0.927 1.000 1 A 60.800 1 ATOM 234 H HB . THR 16 16 ? A -10.133 7.862 0.400 1.000 1 A 60.800 1 ATOM 235 H HG1 . THR 16 16 ? A -11.687 6.928 1.704 1.000 1 A 60.800 1 ATOM 236 H HG21 . THR 16 16 ? A -11.226 6.941 -1.696 1.000 1 A 60.800 1 ATOM 237 H HG22 . THR 16 16 ? A -9.460 6.762 -1.666 1.000 1 A 60.800 1 ATOM 238 H HG23 . THR 16 16 ? A -10.496 5.363 -1.317 1.000 1 A 60.800 1 ATOM 239 N N . TYR 17 17 ? A -7.326 5.093 0.206 1.000 1 A 61.750 1 ATOM 240 C CA . TYR 17 17 ? A -5.970 5.135 -0.285 1.000 1 A 61.750 1 ATOM 241 C C . TYR 17 17 ? A -5.960 4.896 -1.784 1.000 1 A 61.750 1 ATOM 242 O O . TYR 17 17 ? A -6.625 4.005 -2.312 1.000 1 A 61.750 1 ATOM 243 C CB . TYR 17 17 ? A -5.087 4.153 0.470 1.000 1 A 61.750 1 ATOM 244 C CG . TYR 17 17 ? A -4.996 4.430 1.956 1.000 1 A 61.750 1 ATOM 245 C CD1 . TYR 17 17 ? A -3.904 5.127 2.505 1.000 1 A 61.750 1 ATOM 246 C CD2 . TYR 17 17 ? A -6.006 3.959 2.805 1.000 1 A 61.750 1 ATOM 247 C CE1 . TYR 17 17 ? A -3.754 5.229 3.900 1.000 1 A 61.750 1 ATOM 248 C CE2 . TYR 17 17 ? A -5.852 4.030 4.199 1.000 1 A 61.750 1 ATOM 249 C CZ . TYR 17 17 ? A -4.719 4.652 4.753 1.000 1 A 61.750 1 ATOM 250 O OH . TYR 17 17 ? A -4.584 4.733 6.101 1.000 1 A 61.750 1 ATOM 251 H H . TYR 17 17 ? A -7.793 4.197 0.219 1.000 1 A 61.750 1 ATOM 252 H HA . TYR 17 17 ? A -5.555 6.123 -0.089 1.000 1 A 61.750 1 ATOM 253 H HB2 . TYR 17 17 ? A -4.088 4.220 0.040 1.000 1 A 61.750 1 ATOM 254 H HB3 . TYR 17 17 ? A -5.455 3.139 0.314 1.000 1 A 61.750 1 ATOM 255 H HD1 . TYR 17 17 ? A -3.170 5.587 1.859 1.000 1 A 61.750 1 ATOM 256 H HD2 . TYR 17 17 ? A -6.879 3.479 2.387 1.000 1 A 61.750 1 ATOM 257 H HE1 . TYR 17 17 ? A -2.899 5.738 4.320 1.000 1 A 61.750 1 ATOM 258 H HE2 . TYR 17 17 ? A -6.586 3.578 4.850 1.000 1 A 61.750 1 ATOM 259 H HH . TYR 17 17 ? A -3.752 5.133 6.364 1.000 1 A 61.750 1 ATOM 260 N N . ARG 18 18 ? A -5.181 5.707 -2.486 1.000 1 A 62.560 1 ATOM 261 C CA . ARG 18 18 ? A -4.874 5.503 -3.896 1.000 1 A 62.560 1 ATOM 262 C C . ARG 18 18 ? A -3.467 4.974 -4.026 1.000 1 A 62.560 1 ATOM 263 O O . ARG 18 18 ? A -2.526 5.639 -3.594 1.000 1 A 62.560 1 ATOM 264 C CB . ARG 18 18 ? A -5.069 6.808 -4.667 1.000 1 A 62.560 1 ATOM 265 C CG . ARG 18 18 ? A -6.557 7.006 -4.935 1.000 1 A 62.560 1 ATOM 266 C CD . ARG 18 18 ? A -6.786 8.218 -5.836 1.000 1 A 62.560 1 ATOM 267 N NE . ARG 18 18 ? A -8.034 8.063 -6.594 1.000 1 A 62.560 1 ATOM 268 C CZ . ARG 18 18 ? A -8.623 8.975 -7.337 1.000 1 A 62.560 1 ATOM 269 N NH1 . ARG 18 18 ? A -8.171 10.197 -7.411 1.000 1 A 62.560 1 ATOM 270 N NH2 . ARG 18 18 ? A -9.686 8.666 -8.022 1.000 1 A 62.560 1 ATOM 271 H H . ARG 18 18 ? A -4.717 6.456 -1.993 1.000 1 A 62.560 1 ATOM 272 H HA . ARG 18 18 ? A -5.533 4.745 -4.319 1.000 1 A 62.560 1 ATOM 273 H HB2 . ARG 18 18 ? A -4.659 7.652 -4.112 1.000 1 A 62.560 1 ATOM 274 H HB3 . ARG 18 18 ? A -4.551 6.726 -5.623 1.000 1 A 62.560 1 ATOM 275 H HG2 . ARG 18 18 ? A -7.108 7.127 -4.002 1.000 1 A 62.560 1 ATOM 276 H HG3 . ARG 18 18 ? A -6.908 6.106 -5.440 1.000 1 A 62.560 1 ATOM 277 H HD2 . ARG 18 18 ? A -5.960 8.298 -6.544 1.000 1 A 62.560 1 ATOM 278 H HD3 . ARG 18 18 ? A -6.811 9.117 -5.220 1.000 1 A 62.560 1 ATOM 279 H HE . ARG 18 18 ? A -8.413 7.127 -6.615 1.000 1 A 62.560 1 ATOM 280 H HH11 . ARG 18 18 ? A -8.645 10.895 -7.967 1.000 1 A 62.560 1 ATOM 281 H HH12 . ARG 18 18 ? A -7.341 10.425 -6.882 1.000 1 A 62.560 1 ATOM 282 H HH21 . ARG 18 18 ? A -10.149 9.354 -8.599 1.000 1 A 62.560 1 ATOM 283 H HH22 . ARG 18 18 ? A -10.045 7.726 -7.945 1.000 1 A 62.560 1 ATOM 284 N N . LEU 19 19 ? A -3.336 3.800 -4.637 1.000 1 A 65.520 1 ATOM 285 C CA . LEU 19 19 ? A -2.041 3.275 -5.033 1.000 1 A 65.520 1 ATOM 286 C C . LEU 19 19 ? A -1.698 3.825 -6.417 1.000 1 A 65.520 1 ATOM 287 O O . LEU 19 19 ? A -2.336 3.489 -7.417 1.000 1 A 65.520 1 ATOM 288 C CB . LEU 19 19 ? A -2.058 1.740 -4.986 1.000 1 A 65.520 1 ATOM 289 C CG . LEU 19 19 ? A -0.661 1.123 -5.192 1.000 1 A 65.520 1 ATOM 290 C CD1 . LEU 19 19 ? A 0.258 1.383 -3.995 1.000 1 A 65.520 1 ATOM 291 C CD2 . LEU 19 19 ? A -0.797 -0.384 -5.390 1.000 1 A 65.520 1 ATOM 292 H H . LEU 19 19 ? A -4.164 3.303 -4.935 1.000 1 A 65.520 1 ATOM 293 H HA . LEU 19 19 ? A -1.292 3.627 -4.324 1.000 1 A 65.520 1 ATOM 294 H HB2 . LEU 19 19 ? A -2.448 1.412 -4.022 1.000 1 A 65.520 1 ATOM 295 H HB3 . LEU 19 19 ? A -2.732 1.373 -5.761 1.000 1 A 65.520 1 ATOM 296 H HG . LEU 19 19 ? A -0.202 1.540 -6.088 1.000 1 A 65.520 1 ATOM 297 H HD11 . LEU 19 19 ? A 0.504 2.442 -3.916 1.000 1 A 65.520 1 ATOM 298 H HD12 . LEU 19 19 ? A 1.186 0.822 -4.116 1.000 1 A 65.520 1 ATOM 299 H HD13 . LEU 19 19 ? A -0.221 1.047 -3.075 1.000 1 A 65.520 1 ATOM 300 H HD21 . LEU 19 19 ? A -1.414 -0.594 -6.263 1.000 1 A 65.520 1 ATOM 301 H HD22 . LEU 19 19 ? A 0.186 -0.830 -5.543 1.000 1 A 65.520 1 ATOM 302 H HD23 . LEU 19 19 ? A -1.258 -0.836 -4.512 1.000 1 A 65.520 1 ATOM 303 N N . HIS 20 20 ? A -0.694 4.690 -6.465 1.000 1 A 64.290 1 ATOM 304 C CA . HIS 20 20 ? A -0.101 5.175 -7.701 1.000 1 A 64.290 1 ATOM 305 C C . HIS 20 20 ? A 1.150 4.364 -7.997 1.000 1 A 64.290 1 ATOM 306 O O . HIS 20 20 ? A 2.048 4.308 -7.160 1.000 1 A 64.290 1 ATOM 307 C CB . HIS 20 20 ? A 0.228 6.660 -7.557 1.000 1 A 64.290 1 ATOM 308 C CG . HIS 20 20 ? A -1.000 7.520 -7.458 1.000 1 A 64.290 1 ATOM 309 N ND1 . HIS 20 20 ? A -1.680 8.066 -8.519 1.000 1 A 64.290 1 ATOM 310 C CD2 . HIS 20 20 ? A -1.670 7.869 -6.315 1.000 1 A 64.290 1 ATOM 311 C CE1 . HIS 20 20 ? A -2.726 8.750 -8.028 1.000 1 A 64.290 1 ATOM 312 N NE2 . HIS 20 20 ? A -2.777 8.638 -6.692 1.000 1 A 64.290 1 ATOM 313 H H . HIS 20 20 ? A -0.246 4.950 -5.598 1.000 1 A 64.290 1 ATOM 314 H HA . HIS 20 20 ? A -0.797 5.057 -8.532 1.000 1 A 64.290 1 ATOM 315 H HB2 . HIS 20 20 ? A 0.811 6.971 -8.423 1.000 1 A 64.290 1 ATOM 316 H HB3 . HIS 20 20 ? A 0.840 6.810 -6.668 1.000 1 A 64.290 1 ATOM 317 H HD1 . HIS 20 20 ? A -1.444 7.958 -9.495 1.000 1 A 64.290 1 ATOM 318 H HD2 . HIS 20 20 ? A -1.407 7.576 -5.309 1.000 1 A 64.290 1 ATOM 319 H HE1 . HIS 20 20 ? A -3.453 9.280 -8.626 1.000 1 A 64.290 1 ATOM 320 N N . LEU 21 21 ? A 1.224 3.767 -9.183 1.000 1 A 63.620 1 ATOM 321 C CA . LEU 21 21 ? A 2.473 3.187 -9.659 1.000 1 A 63.620 1 ATOM 322 C C . LEU 21 21 ? A 3.295 4.325 -10.267 1.000 1 A 63.620 1 ATOM 323 O O . LEU 21 21 ? A 2.791 5.101 -11.074 1.000 1 A 63.620 1 ATOM 324 C CB . LEU 21 21 ? A 2.165 1.997 -10.589 1.000 1 A 63.620 1 ATOM 325 C CG . LEU 21 21 ? A 3.282 0.931 -10.598 1.000 1 A 63.620 1 ATOM 326 C CD1 . LEU 21 21 ? A 2.693 -0.474 -10.617 1.000 1 A 63.620 1 ATOM 327 C CD2 . LEU 21 21 ? A 4.173 1.012 -11.828 1.000 1 A 63.620 1 ATOM 328 H H . LEU 21 21 ? A 0.475 3.882 -9.850 1.000 1 A 63.620 1 ATOM 329 H HA . LEU 21 21 ? A 3.021 2.801 -8.799 1.000 1 A 63.620 1 ATOM 330 H HB2 . LEU 21 21 ? A 1.254 1.525 -10.220 1.000 1 A 63.620 1 ATOM 331 H HB3 . LEU 21 21 ? A 1.954 2.335 -11.604 1.000 1 A 63.620 1 ATOM 332 H HG . LEU 21 21 ? A 3.897 1.027 -9.704 1.000 1 A 63.620 1 ATOM 333 H HD11 . LEU 21 21 ? A 1.951 -0.576 -9.826 1.000 1 A 63.620 1 ATOM 334 H HD12 . LEU 21 21 ? A 3.488 -1.200 -10.445 1.000 1 A 63.620 1 ATOM 335 H HD13 . LEU 21 21 ? A 2.236 -0.685 -11.584 1.000 1 A 63.620 1 ATOM 336 H HD21 . LEU 21 21 ? A 4.669 1.983 -11.856 1.000 1 A 63.620 1 ATOM 337 H HD22 . LEU 21 21 ? A 4.943 0.242 -11.773 1.000 1 A 63.620 1 ATOM 338 H HD23 . LEU 21 21 ? A 3.584 0.832 -12.727 1.000 1 A 63.620 1 ATOM 339 N N . ILE 22 22 ? A 4.527 4.493 -9.821 1.000 1 A 65.390 1 ATOM 340 C CA . ILE 22 22 ? A 5.460 5.498 -10.316 1.000 1 A 65.390 1 ATOM 341 C C . ILE 22 22 ? A 6.531 4.732 -11.070 1.000 1 A 65.390 1 ATOM 342 O O . ILE 22 22 ? A 7.371 4.048 -10.484 1.000 1 A 65.390 1 ATOM 343 C CB . ILE 22 22 ? A 6.027 6.382 -9.186 1.000 1 A 65.390 1 ATOM 344 C CG1 . ILE 22 22 ? A 4.879 7.099 -8.439 1.000 1 A 65.390 1 ATOM 345 C CG2 . ILE 22 22 ? A 7.020 7.400 -9.785 1.000 1 A 65.390 1 ATOM 346 C CD1 . ILE 22 22 ? A 5.341 7.946 -7.248 1.000 1 A 65.390 1 ATOM 347 H H . ILE 22 22 ? A 4.897 3.833 -9.152 1.000 1 A 65.390 1 ATOM 348 H HA . ILE 22 22 ? A 4.956 6.157 -11.023 1.000 1 A 65.390 1 ATOM 349 H HB . ILE 22 22 ? A 6.563 5.753 -8.475 1.000 1 A 65.390 1 ATOM 350 H HG12 . ILE 22 22 ? A 4.180 6.358 -8.051 1.000 1 A 65.390 1 ATOM 351 H HG13 . ILE 22 22 ? A 4.340 7.738 -9.138 1.000 1 A 65.390 1 ATOM 352 H HG21 . ILE 22 22 ? A 6.502 8.068 -10.473 1.000 1 A 65.390 1 ATOM 353 H HG22 . ILE 22 22 ? A 7.497 7.980 -8.995 1.000 1 A 65.390 1 ATOM 354 H HG23 . ILE 22 22 ? A 7.816 6.884 -10.322 1.000 1 A 65.390 1 ATOM 355 H HD11 . ILE 22 22 ? A 5.978 8.765 -7.580 1.000 1 A 65.390 1 ATOM 356 H HD12 . ILE 22 22 ? A 4.466 8.379 -6.765 1.000 1 A 65.390 1 ATOM 357 H HD13 . ILE 22 22 ? A 5.883 7.323 -6.537 1.000 1 A 65.390 1 ATOM 358 N N . ASP 23 23 ? A 6.481 4.852 -12.388 1.000 1 A 62.620 1 ATOM 359 C CA . ASP 23 23 ? A 7.549 4.350 -13.228 1.000 1 A 62.620 1 ATOM 360 C C . ASP 23 23 ? A 8.625 5.428 -13.338 1.000 1 A 62.620 1 ATOM 361 O O . ASP 23 23 ? A 8.351 6.584 -13.686 1.000 1 A 62.620 1 ATOM 362 C CB . ASP 23 23 ? A 6.994 3.898 -14.577 1.000 1 A 62.620 1 ATOM 363 C CG . ASP 23 23 ? A 8.070 3.175 -15.384 1.000 1 A 62.620 1 ATOM 364 O OD1 . ASP 23 23 ? A 8.739 2.300 -14.790 1.000 1 A 62.620 1 ATOM 365 O OD2 . ASP 23 23 ? A 8.218 3.525 -16.573 1.000 1 A 62.620 1 ATOM 366 H H . ASP 23 23 ? A 5.816 5.487 -12.805 1.000 1 A 62.620 1 ATOM 367 H HA . ASP 23 23 ? A 7.987 3.472 -12.755 1.000 1 A 62.620 1 ATOM 368 H HB2 . ASP 23 23 ? A 6.614 4.759 -15.127 1.000 1 A 62.620 1 ATOM 369 H HB3 . ASP 23 23 ? A 6.173 3.202 -14.405 1.000 1 A 62.620 1 ATOM 370 N N . ARG 24 24 ? A 9.856 5.067 -12.984 1.000 1 A 59.320 1 ATOM 371 C CA . ARG 24 24 ? A 11.010 5.950 -13.133 1.000 1 A 59.320 1 ATOM 372 C C . ARG 24 24 ? A 11.681 5.616 -14.455 1.000 1 A 59.320 1 ATOM 373 O O . ARG 24 24 ? A 12.641 4.852 -14.502 1.000 1 A 59.320 1 ATOM 374 C CB . ARG 24 24 ? A 11.912 5.857 -11.896 1.000 1 A 59.320 1 ATOM 375 C CG . ARG 24 24 ? A 12.899 7.031 -11.856 1.000 1 A 59.320 1 ATOM 376 C CD . ARG 24 24 ? A 13.753 6.952 -10.587 1.000 1 A 59.320 1 ATOM 377 N NE . ARG 24 24 ? A 14.687 8.091 -10.487 1.000 1 A 59.320 1 ATOM 378 C CZ . ARG 24 24 ? A 15.515 8.325 -9.482 1.000 1 A 59.320 1 ATOM 379 N NH1 . ARG 24 24 ? A 15.589 7.532 -8.449 1.000 1 A 59.320 1 ATOM 380 N NH2 . ARG 24 24 ? A 16.296 9.370 -9.498 1.000 1 A 59.320 1 ATOM 381 H H . ARG 24 24 ? A 10.011 4.094 -12.760 1.000 1 A 59.320 1 ATOM 382 H HA . ARG 24 24 ? A 10.662 6.979 -13.216 1.000 1 A 59.320 1 ATOM 383 H HB2 . ARG 24 24 ? A 12.449 4.908 -11.891 1.000 1 A 59.320 1 ATOM 384 H HB3 . ARG 24 24 ? A 11.288 5.901 -11.003 1.000 1 A 59.320 1 ATOM 385 H HG2 . ARG 24 24 ? A 12.345 7.969 -11.859 1.000 1 A 59.320 1 ATOM 386 H HG3 . ARG 24 24 ? A 13.546 6.996 -12.733 1.000 1 A 59.320 1 ATOM 387 H HD2 . ARG 24 24 ? A 14.312 6.017 -10.603 1.000 1 A 59.320 1 ATOM 388 H HD3 . ARG 24 24 ? A 13.089 6.947 -9.723 1.000 1 A 59.320 1 ATOM 389 H HE . ARG 24 24 ? A 14.714 8.724 -11.274 1.000 1 A 59.320 1 ATOM 390 H HH11 . ARG 24 24 ? A 16.225 7.713 -7.686 1.000 1 A 59.320 1 ATOM 391 H HH12 . ARG 24 24 ? A 14.984 6.724 -8.409 1.000 1 A 59.320 1 ATOM 392 H HH21 . ARG 24 24 ? A 16.291 9.997 -10.289 1.000 1 A 59.320 1 ATOM 393 H HH22 . ARG 24 24 ? A 16.933 9.528 -8.729 1.000 1 A 59.320 1 ATOM 394 N N . ASP 25 25 ? A 11.149 6.190 -15.525 1.000 1 A 61.690 1 ATOM 395 C CA . ASP 25 25 ? A 11.779 6.117 -16.837 1.000 1 A 61.690 1 ATOM 396 C C . ASP 25 25 ? A 12.936 7.135 -16.925 1.000 1 A 61.690 1 ATOM 397 O O . ASP 25 25 ? A 13.045 8.089 -16.149 1.000 1 A 61.690 1 ATOM 398 C CB . ASP 25 25 ? A 10.710 6.273 -17.938 1.000 1 A 61.690 1 ATOM 399 C CG . ASP 25 25 ? A 11.228 6.010 -19.363 1.000 1 A 61.690 1 ATOM 400 O OD1 . ASP 25 25 ? A 12.301 5.377 -19.516 1.000 1 A 61.690 1 ATOM 401 O OD2 . ASP 25 25 ? A 10.622 6.569 -20.305 1.000 1 A 61.690 1 ATOM 402 H H . ASP 25 25 ? A 10.339 6.781 -15.405 1.000 1 A 61.690 1 ATOM 403 H HA . ASP 25 25 ? A 12.208 5.122 -16.955 1.000 1 A 61.690 1 ATOM 404 H HB2 . ASP 25 25 ? A 10.304 7.283 -17.887 1.000 1 A 61.690 1 ATOM 405 H HB3 . ASP 25 25 ? A 9.898 5.573 -17.740 1.000 1 A 61.690 1 ATOM 406 N N . SER 26 26 ? A 13.802 6.951 -17.916 1.000 1 A 56.300 1 ATOM 407 C CA . SER 26 26 ? A 14.909 7.831 -18.314 1.000 1 A 56.300 1 ATOM 408 C C . SER 26 26 ? A 14.535 9.317 -18.482 1.000 1 A 56.300 1 ATOM 409 O O . SER 26 26 ? A 15.414 10.175 -18.484 1.000 1 A 56.300 1 ATOM 410 C CB . SER 26 26 ? A 15.469 7.290 -19.635 1.000 1 A 56.300 1 ATOM 411 O OG . SER 26 26 ? A 14.452 7.208 -20.625 1.000 1 A 56.300 1 ATOM 412 H H . SER 26 26 ? A 13.599 6.163 -18.514 1.000 1 A 56.300 1 ATOM 413 H HA . SER 26 26 ? A 15.691 7.774 -17.557 1.000 1 A 56.300 1 ATOM 414 H HB2 . SER 26 26 ? A 15.886 6.297 -19.471 1.000 1 A 56.300 1 ATOM 415 H HB3 . SER 26 26 ? A 16.267 7.946 -19.985 1.000 1 A 56.300 1 ATOM 416 H HG . SER 26 26 ? A 13.810 6.536 -20.385 1.000 1 A 56.300 1 ATOM 417 N N . LYS 27 27 ? A 13.237 9.638 -18.589 1.000 1 A 63.800 1 ATOM 418 C CA . LYS 27 27 ? A 12.686 10.995 -18.747 1.000 1 A 63.800 1 ATOM 419 C C . LYS 27 27 ? A 12.118 11.613 -17.458 1.000 1 A 63.800 1 ATOM 420 O O . LYS 27 27 ? A 11.584 12.718 -17.513 1.000 1 A 63.800 1 ATOM 421 C CB . LYS 27 27 ? A 11.652 10.983 -19.884 1.000 1 A 63.800 1 ATOM 422 C CG . LYS 27 27 ? A 12.304 10.645 -21.232 1.000 1 A 63.800 1 ATOM 423 C CD . LYS 27 27 ? A 11.275 10.698 -22.363 1.000 1 A 63.800 1 ATOM 424 C CE . LYS 27 27 ? A 11.977 10.362 -23.680 1.000 1 A 63.800 1 ATOM 425 N NZ . LYS 27 27 ? A 11.027 10.352 -24.817 1.000 1 A 63.800 1 ATOM 426 H H . LYS 27 27 ? A 12.591 8.861 -18.574 1.000 1 A 63.800 1 ATOM 427 H HA . LYS 27 27 ? A 13.497 11.663 -19.037 1.000 1 A 63.800 1 ATOM 428 H HB2 . LYS 27 27 ? A 10.873 10.254 -19.658 1.000 1 A 63.800 1 ATOM 429 H HB3 . LYS 27 27 ? A 11.192 11.968 -19.961 1.000 1 A 63.800 1 ATOM 430 H HG2 . LYS 27 27 ? A 12.733 9.644 -21.195 1.000 1 A 63.800 1 ATOM 431 H HG3 . LYS 27 27 ? A 13.100 11.362 -21.435 1.000 1 A 63.800 1 ATOM 432 H HD2 . LYS 27 27 ? A 10.841 11.697 -22.413 1.000 1 A 63.800 1 ATOM 433 H HD3 . LYS 27 27 ? A 10.493 9.967 -22.162 1.000 1 A 63.800 1 ATOM 434 H HE2 . LYS 27 27 ? A 12.444 9.382 -23.573 1.000 1 A 63.800 1 ATOM 435 H HE3 . LYS 27 27 ? A 12.771 11.089 -23.849 1.000 1 A 63.800 1 ATOM 436 H HZ1 . LYS 27 27 ? A 10.316 9.653 -24.657 1.000 1 A 63.800 1 ATOM 437 H HZ2 . LYS 27 27 ? A 11.514 10.117 -25.670 1.000 1 A 63.800 1 ATOM 438 H HZ3 . LYS 27 27 ? A 10.591 11.257 -24.924 1.000 1 A 63.800 1 ATOM 439 N N . GLY 28 28 ? A 12.225 10.935 -16.313 1.000 1 A 63.930 1 ATOM 440 C CA . GLY 28 28 ? A 11.721 11.402 -15.016 1.000 1 A 63.930 1 ATOM 441 C C . GLY 28 28 ? A 10.697 10.455 -14.382 1.000 1 A 63.930 1 ATOM 442 O O . GLY 28 28 ? A 10.460 9.351 -14.861 1.000 1 A 63.930 1 ATOM 443 H H . GLY 28 28 ? A 12.604 10.000 -16.352 1.000 1 A 63.930 1 ATOM 444 H HA2 . GLY 28 28 ? A 11.257 12.383 -15.120 1.000 1 A 63.930 1 ATOM 445 H HA3 . GLY 28 28 ? A 12.562 11.501 -14.330 1.000 1 A 63.930 1 ATOM 446 N N . MET 29 29 ? A 10.091 10.882 -13.270 1.000 1 A 61.910 1 ATOM 447 C CA . MET 29 29 ? A 9.024 10.122 -12.607 1.000 1 A 61.910 1 ATOM 448 C C . MET 29 29 ? A 7.718 10.273 -13.392 1.000 1 A 61.910 1 ATOM 449 O O . MET 29 29 ? A 7.150 11.365 -13.438 1.000 1 A 61.910 1 ATOM 450 C CB . MET 29 29 ? A 8.846 10.599 -11.153 1.000 1 A 61.910 1 ATOM 451 C CG . MET 29 29 ? A 10.023 10.184 -10.263 1.000 1 A 61.910 1 ATOM 452 S SD . MET 29 29 ? A 9.808 10.561 -8.500 1.000 1 A 61.910 1 ATOM 453 C CE . MET 29 29 ? A 10.441 12.257 -8.414 1.000 1 A 61.910 1 ATOM 454 H H . MET 29 29 ? A 10.273 11.823 -12.950 1.000 1 A 61.910 1 ATOM 455 H HA . MET 29 29 ? A 9.284 9.064 -12.592 1.000 1 A 61.910 1 ATOM 456 H HB2 . MET 29 29 ? A 8.733 11.682 -11.128 1.000 1 A 61.910 1 ATOM 457 H HB3 . MET 29 29 ? A 7.939 10.151 -10.747 1.000 1 A 61.910 1 ATOM 458 H HG2 . MET 29 29 ? A 10.141 9.104 -10.352 1.000 1 A 61.910 1 ATOM 459 H HG3 . MET 29 29 ? A 10.939 10.653 -10.621 1.000 1 A 61.910 1 ATOM 460 H HE1 . MET 29 29 ? A 11.481 12.279 -8.738 1.000 1 A 61.910 1 ATOM 461 H HE2 . MET 29 29 ? A 9.844 12.906 -9.055 1.000 1 A 61.910 1 ATOM 462 H HE3 . MET 29 29 ? A 10.380 12.611 -7.385 1.000 1 A 61.910 1 ATOM 463 N N . LYS 30 30 ? A 7.222 9.188 -13.989 1.000 1 A 58.940 1 ATOM 464 C CA . LYS 30 30 ? A 5.892 9.141 -14.596 1.000 1 A 58.940 1 ATOM 465 C C . LYS 30 30 ? A 4.944 8.419 -13.648 1.000 1 A 58.940 1 ATOM 466 O O . LYS 30 30 ? A 5.048 7.214 -13.434 1.000 1 A 58.940 1 ATOM 467 C CB . LYS 30 30 ? A 5.969 8.488 -15.983 1.000 1 A 58.940 1 ATOM 468 C CG . LYS 30 30 ? A 4.644 8.642 -16.748 1.000 1 A 58.940 1 ATOM 469 C CD . LYS 30 30 ? A 4.763 8.017 -18.140 1.000 1 A 58.940 1 ATOM 470 C CE . LYS 30 30 ? A 3.459 8.189 -18.924 1.000 1 A 58.940 1 ATOM 471 N NZ . LYS 30 30 ? A 3.542 7.502 -20.236 1.000 1 A 58.940 1 ATOM 472 H H . LYS 30 30 ? A 7.742 8.323 -13.933 1.000 1 A 58.940 1 ATOM 473 H HA . LYS 30 30 ? A 5.527 10.159 -14.732 1.000 1 A 58.940 1 ATOM 474 H HB2 . LYS 30 30 ? A 6.764 8.969 -16.553 1.000 1 A 58.940 1 ATOM 475 H HB3 . LYS 30 30 ? A 6.216 7.432 -15.877 1.000 1 A 58.940 1 ATOM 476 H HG2 . LYS 30 30 ? A 4.404 9.701 -16.846 1.000 1 A 58.940 1 ATOM 477 H HG3 . LYS 30 30 ? A 3.844 8.145 -16.200 1.000 1 A 58.940 1 ATOM 478 H HD2 . LYS 30 30 ? A 5.583 8.491 -18.679 1.000 1 A 58.940 1 ATOM 479 H HD3 . LYS 30 30 ? A 4.987 6.956 -18.025 1.000 1 A 58.940 1 ATOM 480 H HE2 . LYS 30 30 ? A 2.645 7.772 -18.331 1.000 1 A 58.940 1 ATOM 481 H HE3 . LYS 30 30 ? A 3.268 9.254 -19.058 1.000 1 A 58.940 1 ATOM 482 H HZ1 . LYS 30 30 ? A 2.681 7.603 -20.754 1.000 1 A 58.940 1 ATOM 483 H HZ2 . LYS 30 30 ? A 3.720 6.518 -20.095 1.000 1 A 58.940 1 ATOM 484 H HZ3 . LYS 30 30 ? A 4.307 7.874 -20.781 1.000 1 A 58.940 1 ATOM 485 N N . THR 31 31 ? A 3.989 9.158 -13.097 1.000 1 A 61.820 1 ATOM 486 C CA . THR 31 31 ? A 2.871 8.558 -12.366 1.000 1 A 61.820 1 ATOM 487 C C . THR 31 31 ? A 1.980 7.831 -13.368 1.000 1 A 61.820 1 ATOM 488 O O . THR 31 31 ? A 1.363 8.453 -14.234 1.000 1 A 61.820 1 ATOM 489 C CB . THR 31 31 ? A 2.075 9.616 -11.593 1.000 1 A 61.820 1 ATOM 490 O OG1 . THR 31 31 ? A 2.949 10.406 -10.819 1.000 1 A 61.820 1 ATOM 491 C CG2 . THR 31 31 ? A 1.087 8.980 -10.621 1.000 1 A 61.820 1 ATOM 492 H H . THR 31 31 ? A 4.009 10.161 -13.215 1.000 1 A 61.820 1 ATOM 493 H HA . THR 31 31 ? A 3.261 7.836 -11.649 1.000 1 A 61.820 1 ATOM 494 H HB . THR 31 31 ? A 1.541 10.262 -12.290 1.000 1 A 61.820 1 ATOM 495 H HG1 . THR 31 31 ? A 2.425 11.087 -10.391 1.000 1 A 61.820 1 ATOM 496 H HG21 . THR 31 31 ? A 1.631 8.318 -9.947 1.000 1 A 61.820 1 ATOM 497 H HG22 . THR 31 31 ? A 0.578 9.753 -10.046 1.000 1 A 61.820 1 ATOM 498 H HG23 . THR 31 31 ? A 0.345 8.404 -11.173 1.000 1 A 61.820 1 ATOM 499 N N . LEU 32 32 ? A 1.938 6.510 -13.277 1.000 1 A 60.740 1 ATOM 500 C CA . LEU 32 32 ? A 1.008 5.674 -14.017 1.000 1 A 60.740 1 ATOM 501 C C . LEU 32 32 ? A -0.392 5.779 -13.394 1.000 1 A 60.740 1 ATOM 502 O O . LEU 32 32 ? A -0.525 6.103 -12.205 1.000 1 A 60.740 1 ATOM 503 C CB . LEU 32 32 ? A 1.545 4.232 -14.062 1.000 1 A 60.740 1 ATOM 504 C CG . LEU 32 32 ? A 2.805 4.080 -14.935 1.000 1 A 60.740 1 ATOM 505 C CD1 . LEU 32 32 ? A 3.394 2.693 -14.752 1.000 1 A 60.740 1 ATOM 506 C CD2 . LEU 32 32 ? A 2.508 4.266 -16.424 1.000 1 A 60.740 1 ATOM 507 H H . LEU 32 32 ? A 2.468 6.063 -12.542 1.000 1 A 60.740 1 ATOM 508 H HA . LEU 32 32 ? A 0.939 6.063 -15.033 1.000 1 A 60.740 1 ATOM 509 H HB2 . LEU 32 32 ? A 1.777 3.924 -13.043 1.000 1 A 60.740 1 ATOM 510 H HB3 . LEU 32 32 ? A 0.774 3.556 -14.432 1.000 1 A 60.740 1 ATOM 511 H HG . LEU 32 32 ? A 3.556 4.813 -14.638 1.000 1 A 60.740 1 ATOM 512 H HD11 . LEU 32 32 ? A 3.884 2.689 -13.778 1.000 1 A 60.740 1 ATOM 513 H HD12 . LEU 32 32 ? A 4.160 2.496 -15.502 1.000 1 A 60.740 1 ATOM 514 H HD13 . LEU 32 32 ? A 2.623 1.924 -14.807 1.000 1 A 60.740 1 ATOM 515 H HD21 . LEU 32 32 ? A 2.161 5.281 -16.616 1.000 1 A 60.740 1 ATOM 516 H HD22 . LEU 32 32 ? A 3.424 4.103 -16.992 1.000 1 A 60.740 1 ATOM 517 H HD23 . LEU 32 32 ? A 1.756 3.544 -16.743 1.000 1 A 60.740 1 ATOM 518 N N . PRO 33 33 ? A -1.451 5.554 -14.195 1.000 1 A 57.770 1 ATOM 519 C CA . PRO 33 33 ? A -2.815 5.553 -13.686 1.000 1 A 57.770 1 ATOM 520 C C . PRO 33 33 ? A -2.928 4.607 -12.490 1.000 1 A 57.770 1 ATOM 521 O O . PRO 33 33 ? A -2.393 3.497 -12.509 1.000 1 A 57.770 1 ATOM 522 C CB . PRO 33 33 ? A -3.708 5.143 -14.863 1.000 1 A 57.770 1 ATOM 523 C CG . PRO 33 33 ? A -2.754 4.439 -15.827 1.000 1 A 57.770 1 ATOM 524 C CD . PRO 33 33 ? A -1.432 5.161 -15.596 1.000 1 A 57.770 1 ATOM 525 H HA . PRO 33 33 ? A -3.081 6.561 -13.368 1.000 1 A 57.770 1 ATOM 526 H HB2 . PRO 33 33 ? A -4.107 6.039 -15.340 1.000 1 A 57.770 1 ATOM 527 H HB3 . PRO 33 33 ? A -4.522 4.488 -14.552 1.000 1 A 57.770 1 ATOM 528 H HG2 . PRO 33 33 ? A -2.652 3.393 -15.537 1.000 1 A 57.770 1 ATOM 529 H HG3 . PRO 33 33 ? A -3.088 4.520 -16.861 1.000 1 A 57.770 1 ATOM 530 H HD2 . PRO 33 33 ? A -1.387 6.054 -16.219 1.000 1 A 57.770 1 ATOM 531 H HD3 . PRO 33 33 ? A -0.605 4.494 -15.838 1.000 1 A 57.770 1 ATOM 532 N N . SER 34 34 ? A -3.585 5.082 -11.429 1.000 1 A 61.190 1 ATOM 533 C CA . SER 34 34 ? A -3.763 4.326 -10.193 1.000 1 A 61.190 1 ATOM 534 C C . SER 34 34 ? A -4.387 2.972 -10.504 1.000 1 A 61.190 1 ATOM 535 O O . SER 34 34 ? A -5.463 2.912 -11.097 1.000 1 A 61.190 1 ATOM 536 C CB . SER 34 34 ? A -4.681 5.078 -9.223 1.000 1 A 61.190 1 ATOM 537 O OG . SER 34 34 ? A -4.216 6.395 -9.004 1.000 1 A 61.190 1 ATOM 538 H H . SER 34 34 ? A -3.979 6.011 -11.465 1.000 1 A 61.190 1 ATOM 539 H HA . SER 34 34 ? A -2.788 4.176 -9.730 1.000 1 A 61.190 1 ATOM 540 H HB2 . SER 34 34 ? A -5.684 5.128 -9.649 1.000 1 A 61.190 1 ATOM 541 H HB3 . SER 34 34 ? A -4.733 4.543 -8.275 1.000 1 A 61.190 1 ATOM 542 H HG . SER 34 34 ? A -3.509 6.361 -8.356 1.000 1 A 61.190 1 ATOM 543 N N . ILE 35 35 ? A -3.719 1.893 -10.100 1.000 1 A 59.310 1 ATOM 544 C CA . ILE 35 35 ? A -4.185 0.531 -10.391 1.000 1 A 59.310 1 ATOM 545 C C . ILE 35 35 ? A -5.408 0.199 -9.532 1.000 1 A 59.310 1 ATOM 546 O O . ILE 35 35 ? A -6.277 -0.559 -9.956 1.000 1 A 59.310 1 ATOM 547 C CB . ILE 35 35 ? A -3.022 -0.473 -10.222 1.000 1 A 59.310 1 ATOM 548 C CG1 . ILE 35 35 ? A -1.943 -0.159 -11.285 1.000 1 A 59.310 1 ATOM 549 C CG2 . ILE 35 35 ? A -3.494 -1.934 -10.347 1.000 1 A 59.310 1 ATOM 550 C CD1 . ILE 35 35 ? A -0.667 -0.985 -11.149 1.000 1 A 59.310 1 ATOM 551 H H . ILE 35 35 ? A -2.825 2.016 -9.647 1.000 1 A 59.310 1 ATOM 552 H HA . ILE 35 35 ? A -4.518 0.488 -11.429 1.000 1 A 59.310 1 ATOM 553 H HB . ILE 35 35 ? A -2.590 -0.340 -9.229 1.000 1 A 59.310 1 ATOM 554 H HG12 . ILE 35 35 ? A -1.647 0.888 -11.214 1.000 1 A 59.310 1 ATOM 555 H HG13 . ILE 35 35 ? A -2.359 -0.320 -12.280 1.000 1 A 59.310 1 ATOM 556 H HG21 . ILE 35 35 ? A -3.951 -2.101 -11.322 1.000 1 A 59.310 1 ATOM 557 H HG22 . ILE 35 35 ? A -4.219 -2.172 -9.569 1.000 1 A 59.310 1 ATOM 558 H HG23 . ILE 35 35 ? A -2.659 -2.623 -10.216 1.000 1 A 59.310 1 ATOM 559 H HD11 . ILE 35 35 ? A -0.273 -0.890 -10.137 1.000 1 A 59.310 1 ATOM 560 H HD12 . ILE 35 35 ? A -0.855 -2.035 -11.374 1.000 1 A 59.310 1 ATOM 561 H HD13 . ILE 35 35 ? A 0.058 -0.609 -11.871 1.000 1 A 59.310 1 ATOM 562 N N . GLN 36 36 ? A -5.510 0.793 -8.337 1.000 1 A 57.020 1 ATOM 563 C CA . GLN 36 36 ? A -6.596 0.486 -7.419 1.000 1 A 57.020 1 ATOM 564 C C . GLN 36 36 ? A -6.884 1.639 -6.451 1.000 1 A 57.020 1 ATOM 565 O O . GLN 36 36 ? A -5.975 2.209 -5.840 1.000 1 A 57.020 1 ATOM 566 C CB . GLN 36 36 ? A -6.245 -0.823 -6.688 1.000 1 A 57.020 1 ATOM 567 C CG . GLN 36 36 ? A -7.473 -1.718 -6.477 1.000 1 A 57.020 1 ATOM 568 C CD . GLN 36 36 ? A -7.083 -3.157 -6.143 1.000 1 A 57.020 1 ATOM 569 O OE1 . GLN 36 36 ? A -5.972 -3.468 -5.753 1.000 1 A 57.020 1 ATOM 570 N NE2 . GLN 36 36 ? A -7.984 -4.102 -6.294 1.000 1 A 57.020 1 ATOM 571 H H . GLN 36 36 ? A -4.771 1.408 -8.027 1.000 1 A 57.020 1 ATOM 572 H HA . GLN 36 36 ? A -7.493 0.322 -8.016 1.000 1 A 57.020 1 ATOM 573 H HB2 . GLN 36 36 ? A -5.534 -1.390 -7.289 1.000 1 A 57.020 1 ATOM 574 H HB3 . GLN 36 36 ? A -5.769 -0.611 -5.731 1.000 1 A 57.020 1 ATOM 575 H HG2 . GLN 36 36 ? A -8.093 -1.316 -5.676 1.000 1 A 57.020 1 ATOM 576 H HG3 . GLN 36 36 ? A -8.061 -1.741 -7.395 1.000 1 A 57.020 1 ATOM 577 H HE21 . GLN 36 36 ? A -7.674 -5.034 -6.059 1.000 1 A 57.020 1 ATOM 578 H HE22 . GLN 36 36 ? A -8.920 -3.892 -6.611 1.000 1 A 57.020 1 ATOM 579 N N . ASN 37 37 ? A -8.171 1.968 -6.312 1.000 1 A 60.240 1 ATOM 580 C CA . ASN 37 37 ? A -8.674 2.732 -5.175 1.000 1 A 60.240 1 ATOM 581 C C . ASN 37 37 ? A -8.991 1.718 -4.076 1.000 1 A 60.240 1 ATOM 582 O O . ASN 37 37 ? A -9.830 0.842 -4.280 1.000 1 A 60.240 1 ATOM 583 C CB . ASN 37 37 ? A -9.936 3.527 -5.555 1.000 1 A 60.240 1 ATOM 584 C CG . ASN 37 37 ? A -9.734 4.545 -6.660 1.000 1 A 60.240 1 ATOM 585 O OD1 . ASN 37 37 ? A -8.809 5.338 -6.685 1.000 1 A 60.240 1 ATOM 586 N ND2 . ASN 37 37 ? A -10.626 4.593 -7.620 1.000 1 A 60.240 1 ATOM 587 H H . ASN 37 37 ? A -8.848 1.421 -6.824 1.000 1 A 60.240 1 ATOM 588 H HA . ASN 37 37 ? A -7.911 3.423 -4.814 1.000 1 A 60.240 1 ATOM 589 H HB2 . ASN 37 37 ? A -10.296 4.059 -4.674 1.000 1 A 60.240 1 ATOM 590 H HB3 . ASN 37 37 ? A -10.716 2.825 -5.852 1.000 1 A 60.240 1 ATOM 591 H HD21 . ASN 37 37 ? A -11.395 3.939 -7.607 1.000 1 A 60.240 1 ATOM 592 H HD22 . ASN 37 37 ? A -10.392 5.115 -8.453 1.000 1 A 60.240 1 ATOM 593 N N . LEU 38 38 ? A -8.324 1.831 -2.937 1.000 1 A 62.350 1 ATOM 594 C CA . LEU 38 38 ? A -8.596 1.009 -1.773 1.000 1 A 62.350 1 ATOM 595 C C . LEU 38 38 ? A -9.306 1.876 -0.731 1.000 1 A 62.350 1 ATOM 596 O O . LEU 38 38 ? A -8.684 2.712 -0.080 1.000 1 A 62.350 1 ATOM 597 C CB . LEU 38 38 ? A -7.281 0.422 -1.256 1.000 1 A 62.350 1 ATOM 598 C CG . LEU 38 38 ? A -6.522 -0.547 -2.173 1.000 1 A 62.350 1 ATOM 599 C CD1 . LEU 38 38 ? A -5.140 -0.821 -1.579 1.000 1 A 62.350 1 ATOM 600 C CD2 . LEU 38 38 ? A -7.260 -1.881 -2.307 1.000 1 A 62.350 1 ATOM 601 H H . LEU 38 38 ? A -7.652 2.576 -2.825 1.000 1 A 62.350 1 ATOM 602 H HA . LEU 38 38 ? A -9.258 0.182 -2.028 1.000 1 A 62.350 1 ATOM 603 H HB2 . LEU 38 38 ? A -7.569 -0.166 -0.384 1.000 1 A 62.350 1 ATOM 604 H HB3 . LEU 38 38 ? A -6.621 1.234 -0.951 1.000 1 A 62.350 1 ATOM 605 H HG . LEU 38 38 ? A -6.394 -0.101 -3.159 1.000 1 A 62.350 1 ATOM 606 H HD11 . LEU 38 38 ? A -5.234 -1.305 -0.606 1.000 1 A 62.350 1 ATOM 607 H HD12 . LEU 38 38 ? A -4.580 -1.469 -2.253 1.000 1 A 62.350 1 ATOM 608 H HD13 . LEU 38 38 ? A -4.590 0.113 -1.466 1.000 1 A 62.350 1 ATOM 609 H HD21 . LEU 38 38 ? A -8.233 -1.725 -2.774 1.000 1 A 62.350 1 ATOM 610 H HD22 . LEU 38 38 ? A -6.680 -2.556 -2.936 1.000 1 A 62.350 1 ATOM 611 H HD23 . LEU 38 38 ? A -7.398 -2.342 -1.329 1.000 1 A 62.350 1 ATOM 612 N N . SER 39 39 ? A -10.621 1.723 -0.610 1.000 1 A 59.670 1 ATOM 613 C CA . SER 39 39 ? A -11.423 2.457 0.371 1.000 1 A 59.670 1 ATOM 614 C C . SER 39 39 ? A -11.660 1.587 1.590 1.000 1 A 59.670 1 ATOM 615 O O . SER 39 39 ? A -12.324 0.562 1.479 1.000 1 A 59.670 1 ATOM 616 C CB . SER 39 39 ? A -12.759 2.909 -0.220 1.000 1 A 59.670 1 ATOM 617 O OG . SER 39 39 ? A -12.551 3.770 -1.324 1.000 1 A 59.670 1 ATOM 618 H H . SER 39 39 ? A -11.085 1.020 -1.167 1.000 1 A 59.670 1 ATOM 619 H HA . SER 39 39 ? A -10.899 3.357 0.693 1.000 1 A 59.670 1 ATOM 620 H HB2 . SER 39 39 ? A -13.336 2.041 -0.538 1.000 1 A 59.670 1 ATOM 621 H HB3 . SER 39 39 ? A -13.319 3.444 0.548 1.000 1 A 59.670 1 ATOM 622 H HG . SER 39 39 ? A -13.333 4.320 -1.416 1.000 1 A 59.670 1 ATOM 623 N N . PHE 40 40 ? A -11.163 2.014 2.748 1.000 1 A 64.570 1 ATOM 624 C CA . PHE 40 40 ? A -11.386 1.311 4.004 1.000 1 A 64.570 1 ATOM 625 C C . PHE 40 40 ? A -12.055 2.229 5.010 1.000 1 A 64.570 1 ATOM 626 O O . PHE 40 40 ? A -11.702 3.403 5.139 1.000 1 A 64.570 1 ATOM 627 C CB . PHE 40 40 ? A -10.066 0.763 4.528 1.000 1 A 64.570 1 ATOM 628 C CG . PHE 40 40 ? A -9.377 -0.130 3.526 1.000 1 A 64.570 1 ATOM 629 C CD1 . PHE 40 40 ? A -9.783 -1.455 3.368 1.000 1 A 64.570 1 ATOM 630 C CD2 . PHE 40 40 ? A -8.350 0.369 2.725 1.000 1 A 64.570 1 ATOM 631 C CE1 . PHE 40 40 ? A -9.099 -2.317 2.493 1.000 1 A 64.570 1 ATOM 632 C CE2 . PHE 40 40 ? A -7.571 -0.520 1.965 1.000 1 A 64.570 1 ATOM 633 C CZ . PHE 40 40 ? A -7.950 -1.864 1.831 1.000 1 A 64.570 1 ATOM 634 H H . PHE 40 40 ? A -10.574 2.834 2.775 1.000 1 A 64.570 1 ATOM 635 H HA . PHE 40 40 ? A -12.044 0.458 3.840 1.000 1 A 64.570 1 ATOM 636 H HB2 . PHE 40 40 ? A -10.254 0.192 5.437 1.000 1 A 64.570 1 ATOM 637 H HB3 . PHE 40 40 ? A -9.407 1.593 4.786 1.000 1 A 64.570 1 ATOM 638 H HD1 . PHE 40 40 ? A -10.658 -1.780 3.911 1.000 1 A 64.570 1 ATOM 639 H HD2 . PHE 40 40 ? A -8.117 1.422 2.776 1.000 1 A 64.570 1 ATOM 640 H HE1 . PHE 40 40 ? A -9.458 -3.324 2.343 1.000 1 A 64.570 1 ATOM 641 H HE2 . PHE 40 40 ? A -6.673 -0.167 1.480 1.000 1 A 64.570 1 ATOM 642 H HZ . PHE 40 40 ? A -7.377 -2.538 1.210 1.000 1 A 64.570 1 ATOM 643 N N . ASN 41 41 ? A -13.036 1.702 5.734 1.000 1 A 61.530 1 ATOM 644 C CA . ASN 41 41 ? A -13.633 2.433 6.838 1.000 1 A 61.530 1 ATOM 645 C C . ASN 41 41 ? A -12.746 2.245 8.082 1.000 1 A 61.530 1 ATOM 646 O O . ASN 41 41 ? A -12.662 1.110 8.549 1.000 1 A 61.530 1 ATOM 647 C CB . ASN 41 41 ? A -15.080 1.960 7.040 1.000 1 A 61.530 1 ATOM 648 C CG . ASN 41 41 ? A -15.789 2.803 8.083 1.000 1 A 61.530 1 ATOM 649 O OD1 . ASN 41 41 ? A -15.191 3.607 8.769 1.000 1 A 61.530 1 ATOM 650 N ND2 . ASN 41 41 ? A -17.082 2.668 8.232 1.000 1 A 61.530 1 ATOM 651 H H . ASN 41 41 ? A -13.246 0.719 5.637 1.000 1 A 61.530 1 ATOM 652 H HA . ASN 41 41 ? A -13.679 3.490 6.578 1.000 1 A 61.530 1 ATOM 653 H HB2 . ASN 41 41 ? A -15.092 0.919 7.362 1.000 1 A 61.530 1 ATOM 654 H HB3 . ASN 41 41 ? A -15.625 2.047 6.100 1.000 1 A 61.530 1 ATOM 655 H HD21 . ASN 41 41 ? A -17.479 3.237 8.965 1.000 1 A 61.530 1 ATOM 656 H HD22 . ASN 41 41 ? A -17.612 1.993 7.699 1.000 1 A 61.530 1 ATOM 657 N N . PRO 42 42 ? A -12.093 3.296 8.620 1.000 1 A 59.480 1 ATOM 658 C CA . PRO 42 42 ? A -11.210 3.184 9.781 1.000 1 A 59.480 1 ATOM 659 C C . PRO 42 42 ? A -11.914 2.586 11.010 1.000 1 A 59.480 1 ATOM 660 O O . PRO 42 42 ? A -11.271 1.881 11.787 1.000 1 A 59.480 1 ATOM 661 C CB . PRO 42 42 ? A -10.680 4.596 10.046 1.000 1 A 59.480 1 ATOM 662 C CG . PRO 42 42 ? A -11.731 5.505 9.418 1.000 1 A 59.480 1 ATOM 663 C CD . PRO 42 42 ? A -12.208 4.689 8.226 1.000 1 A 59.480 1 ATOM 664 H HA . PRO 42 42 ? A -10.352 2.560 9.531 1.000 1 A 59.480 1 ATOM 665 H HB2 . PRO 42 42 ? A -10.559 4.799 11.110 1.000 1 A 59.480 1 ATOM 666 H HB3 . PRO 42 42 ? A -9.732 4.730 9.526 1.000 1 A 59.480 1 ATOM 667 H HG2 . PRO 42 42 ? A -11.313 6.464 9.112 1.000 1 A 59.480 1 ATOM 668 H HG3 . PRO 42 42 ? A -12.556 5.650 10.114 1.000 1 A 59.480 1 ATOM 669 H HD2 . PRO 42 42 ? A -11.548 4.868 7.377 1.000 1 A 59.480 1 ATOM 670 H HD3 . PRO 42 42 ? A -13.234 4.972 7.990 1.000 1 A 59.480 1 ATOM 671 N N . ASP 43 43 ? A -13.228 2.784 11.139 1.000 1 A 63.220 1 ATOM 672 C CA . ASP 43 43 ? A -14.033 2.224 12.230 1.000 1 A 63.220 1 ATOM 673 C C . ASP 43 43 ? A -14.328 0.726 12.063 1.000 1 A 63.220 1 ATOM 674 O O . ASP 43 43 ? A -14.658 0.045 13.032 1.000 1 A 63.220 1 ATOM 675 C CB . ASP 43 43 ? A -15.346 3.010 12.334 1.000 1 A 63.220 1 ATOM 676 C CG . ASP 43 43 ? A -15.104 4.444 12.803 1.000 1 A 63.220 1 ATOM 677 O OD1 . ASP 43 43 ? A -14.511 4.596 13.894 1.000 1 A 63.220 1 ATOM 678 O OD2 . ASP 43 43 ? A -15.505 5.369 12.063 1.000 1 A 63.220 1 ATOM 679 H H . ASP 43 43 ? A -13.699 3.409 10.500 1.000 1 A 63.220 1 ATOM 680 H HA . ASP 43 43 ? A -13.494 2.341 13.170 1.000 1 A 63.220 1 ATOM 681 H HB2 . ASP 43 43 ? A -15.856 3.003 11.371 1.000 1 A 63.220 1 ATOM 682 H HB3 . ASP 43 43 ? A -15.996 2.522 13.060 1.000 1 A 63.220 1 ATOM 683 N N . ASN 44 44 ? A -14.195 0.191 10.845 1.000 1 A 62.040 1 ATOM 684 C CA . ASN 44 44 ? A -14.539 -1.191 10.516 1.000 1 A 62.040 1 ATOM 685 C C . ASN 44 44 ? A -13.450 -1.892 9.690 1.000 1 A 62.040 1 ATOM 686 O O . ASN 44 44 ? A -13.757 -2.718 8.832 1.000 1 A 62.040 1 ATOM 687 C CB . ASN 44 44 ? A -15.934 -1.220 9.864 1.000 1 A 62.040 1 ATOM 688 C CG . ASN 44 44 ? A -16.641 -2.545 10.089 1.000 1 A 62.040 1 ATOM 689 O OD1 . ASN 44 44 ? A -16.624 -3.125 11.161 1.000 1 A 62.040 1 ATOM 690 N ND2 . ASN 44 44 ? A -17.333 -3.061 9.101 1.000 1 A 62.040 1 ATOM 691 H H . ASN 44 44 ? A -13.834 0.783 10.110 1.000 1 A 62.040 1 ATOM 692 H HA . ASN 44 44 ? A -14.594 -1.748 11.452 1.000 1 A 62.040 1 ATOM 693 H HB2 . ASN 44 44 ? A -16.563 -0.452 10.314 1.000 1 A 62.040 1 ATOM 694 H HB3 . ASN 44 44 ? A -15.844 -1.015 8.797 1.000 1 A 62.040 1 ATOM 695 H HD21 . ASN 44 44 ? A -17.764 -3.954 9.296 1.000 1 A 62.040 1 ATOM 696 H HD22 . ASN 44 44 ? A -17.271 -2.658 8.177 1.000 1 A 62.040 1 ATOM 697 N N . VAL 45 45 ? A -12.177 -1.551 9.928 1.000 1 A 62.520 1 ATOM 698 C CA . VAL 45 45 ? A -11.052 -2.179 9.221 1.000 1 A 62.520 1 ATOM 699 C C . VAL 45 45 ? A -10.914 -3.616 9.702 1.000 1 A 62.520 1 ATOM 700 O O . VAL 45 45 ? A -10.482 -3.871 10.834 1.000 1 A 62.520 1 ATOM 701 C CB . VAL 45 45 ? A -9.715 -1.433 9.391 1.000 1 A 62.520 1 ATOM 702 C CG1 . VAL 45 45 ? A -8.654 -1.977 8.432 1.000 1 A 62.520 1 ATOM 703 C CG2 . VAL 45 45 ? A -9.824 0.050 9.082 1.000 1 A 62.520 1 ATOM 704 H H . VAL 45 45 ? A -12.000 -0.809 10.589 1.000 1 A 62.520 1 ATOM 705 H HA . VAL 45 45 ? A -11.290 -2.190 8.157 1.000 1 A 62.520 1 ATOM 706 H HB . VAL 45 45 ? A -9.357 -1.541 10.415 1.000 1 A 62.520 1 ATOM 707 H HG11 . VAL 45 45 ? A -8.547 -3.053 8.565 1.000 1 A 62.520 1 ATOM 708 H HG12 . VAL 45 45 ? A -7.696 -1.487 8.606 1.000 1 A 62.520 1 ATOM 709 H HG13 . VAL 45 45 ? A -8.964 -1.792 7.404 1.000 1 A 62.520 1 ATOM 710 H HG21 . VAL 45 45 ? A -10.500 0.488 9.817 1.000 1 A 62.520 1 ATOM 711 H HG22 . VAL 45 45 ? A -8.852 0.535 9.170 1.000 1 A 62.520 1 ATOM 712 H HG23 . VAL 45 45 ? A -10.224 0.200 8.079 1.000 1 A 62.520 1 ATOM 713 N N . SER 46 46 ? A -11.244 -4.563 8.829 1.000 1 A 64.540 1 ATOM 714 C CA . SER 46 46 ? A -11.043 -5.982 9.097 1.000 1 A 64.540 1 ATOM 715 C C . SER 46 46 ? A -9.557 -6.266 9.326 1.000 1 A 64.540 1 ATOM 716 O O . SER 46 46 ? A -8.675 -5.633 8.740 1.000 1 A 64.540 1 ATOM 717 C CB . SER 46 46 ? A -11.608 -6.813 7.944 1.000 1 A 64.540 1 ATOM 718 O OG . SER 46 46 ? A -11.316 -8.193 8.113 1.000 1 A 64.540 1 ATOM 719 H H . SER 46 46 ? A -11.555 -4.265 7.915 1.000 1 A 64.540 1 ATOM 720 H HA . SER 46 46 ? A -11.591 -6.240 10.003 1.000 1 A 64.540 1 ATOM 721 H HB2 . SER 46 46 ? A -12.688 -6.669 7.902 1.000 1 A 64.540 1 ATOM 722 H HB3 . SER 46 46 ? A -11.176 -6.467 7.005 1.000 1 A 64.540 1 ATOM 723 H HG . SER 46 46 ? A -11.899 -8.670 7.518 1.000 1 A 64.540 1 ATOM 724 N N . VAL 47 47 ? A -9.245 -7.266 10.154 1.000 1 A 66.390 1 ATOM 725 C CA . VAL 47 47 ? A -7.862 -7.738 10.361 1.000 1 A 66.390 1 ATOM 726 C C . VAL 47 47 ? A -7.178 -8.045 9.022 1.000 1 A 66.390 1 ATOM 727 O O . VAL 47 47 ? A -5.979 -7.815 8.878 1.000 1 A 66.390 1 ATOM 728 C CB . VAL 47 47 ? A -7.856 -8.986 11.267 1.000 1 A 66.390 1 ATOM 729 C CG1 . VAL 47 47 ? A -6.444 -9.552 11.476 1.000 1 A 66.390 1 ATOM 730 C CG2 . VAL 47 47 ? A -8.438 -8.663 12.650 1.000 1 A 66.390 1 ATOM 731 H H . VAL 47 47 ? A -10.007 -7.759 10.596 1.000 1 A 66.390 1 ATOM 732 H HA . VAL 47 47 ? A -7.289 -6.947 10.845 1.000 1 A 66.390 1 ATOM 733 H HB . VAL 47 47 ? A -8.469 -9.760 10.807 1.000 1 A 66.390 1 ATOM 734 H HG11 . VAL 47 47 ? A -6.044 -9.926 10.534 1.000 1 A 66.390 1 ATOM 735 H HG12 . VAL 47 47 ? A -6.481 -10.380 12.185 1.000 1 A 66.390 1 ATOM 736 H HG13 . VAL 47 47 ? A -5.786 -8.776 11.866 1.000 1 A 66.390 1 ATOM 737 H HG21 . VAL 47 47 ? A -9.474 -8.337 12.564 1.000 1 A 66.390 1 ATOM 738 H HG22 . VAL 47 47 ? A -7.855 -7.877 13.129 1.000 1 A 66.390 1 ATOM 739 H HG23 . VAL 47 47 ? A -8.419 -9.553 13.278 1.000 1 A 66.390 1 ATOM 740 N N . TYR 48 48 ? A -7.940 -8.512 8.028 1.000 1 A 64.100 1 ATOM 741 C CA . TYR 48 48 ? A -7.446 -8.755 6.674 1.000 1 A 64.100 1 ATOM 742 C C . TYR 48 48 ? A -6.963 -7.472 5.981 1.000 1 A 64.100 1 ATOM 743 O O . TYR 48 48 ? A -5.889 -7.454 5.389 1.000 1 A 64.100 1 ATOM 744 C CB . TYR 48 48 ? A -8.563 -9.419 5.861 1.000 1 A 64.100 1 ATOM 745 C CG . TYR 48 48 ? A -8.115 -9.824 4.473 1.000 1 A 64.100 1 ATOM 746 C CD1 . TYR 48 48 ? A -8.309 -8.954 3.383 1.000 1 A 64.100 1 ATOM 747 C CD2 . TYR 48 48 ? A -7.467 -11.059 4.284 1.000 1 A 64.100 1 ATOM 748 C CE1 . TYR 48 48 ? A -7.849 -9.315 2.102 1.000 1 A 64.100 1 ATOM 749 C CE2 . TYR 48 48 ? A -7.011 -11.426 3.005 1.000 1 A 64.100 1 ATOM 750 C CZ . TYR 48 48 ? A -7.200 -10.555 1.912 1.000 1 A 64.100 1 ATOM 751 O OH . TYR 48 48 ? A -6.753 -10.918 0.683 1.000 1 A 64.100 1 ATOM 752 H H . TYR 48 48 ? A -8.932 -8.603 8.193 1.000 1 A 64.100 1 ATOM 753 H HA . TYR 48 48 ? A -6.599 -9.439 6.721 1.000 1 A 64.100 1 ATOM 754 H HB2 . TYR 48 48 ? A -9.408 -8.735 5.779 1.000 1 A 64.100 1 ATOM 755 H HB3 . TYR 48 48 ? A -8.907 -10.308 6.389 1.000 1 A 64.100 1 ATOM 756 H HD1 . TYR 48 48 ? A -8.799 -8.002 3.526 1.000 1 A 64.100 1 ATOM 757 H HD2 . TYR 48 48 ? A -7.318 -11.730 5.118 1.000 1 A 64.100 1 ATOM 758 H HE1 . TYR 48 48 ? A -7.991 -8.642 1.269 1.000 1 A 64.100 1 ATOM 759 H HE2 . TYR 48 48 ? A -6.516 -12.372 2.841 1.000 1 A 64.100 1 ATOM 760 H HH . TYR 48 48 ? A -6.932 -10.247 0.020 1.000 1 A 64.100 1 ATOM 761 N N . GLU 49 49 ? A -7.714 -6.382 6.104 1.000 1 A 63.300 1 ATOM 762 C CA . GLU 49 49 ? A -7.405 -5.100 5.466 1.000 1 A 63.300 1 ATOM 763 C C . GLU 49 49 ? A -6.196 -4.438 6.135 1.000 1 A 63.300 1 ATOM 764 O O . GLU 49 49 ? A -5.315 -3.928 5.446 1.000 1 A 63.300 1 ATOM 765 C CB . GLU 49 49 ? A -8.650 -4.209 5.521 1.000 1 A 63.300 1 ATOM 766 C CG . GLU 49 49 ? A -9.836 -4.848 4.780 1.000 1 A 63.300 1 ATOM 767 C CD . GLU 49 49 ? A -11.118 -4.026 4.928 1.000 1 A 63.300 1 ATOM 768 O OE1 . GLU 49 49 ? A -11.788 -3.807 3.898 1.000 1 A 63.300 1 ATOM 769 O OE2 . GLU 49 49 ? A -11.426 -3.658 6.085 1.000 1 A 63.300 1 ATOM 770 H H . GLU 49 49 ? A -8.538 -6.416 6.687 1.000 1 A 63.300 1 ATOM 771 H HA . GLU 49 49 ? A -7.147 -5.263 4.419 1.000 1 A 63.300 1 ATOM 772 H HB2 . GLU 49 49 ? A -8.417 -3.239 5.081 1.000 1 A 63.300 1 ATOM 773 H HB3 . GLU 49 49 ? A -8.922 -4.064 6.567 1.000 1 A 63.300 1 ATOM 774 H HG2 . GLU 49 49 ? A -9.574 -4.984 3.731 1.000 1 A 63.300 1 ATOM 775 H HG3 . GLU 49 49 ? A -10.033 -5.841 5.184 1.000 1 A 63.300 1 ATOM 776 N N . LYS 50 50 ? A -6.066 -4.560 7.467 1.000 1 A 65.350 1 ATOM 777 C CA . LYS 50 50 ? A -4.843 -4.161 8.189 1.000 1 A 65.350 1 ATOM 778 C C . LYS 50 50 ? A -3.617 -4.943 7.718 1.000 1 A 65.350 1 ATOM 779 O O . LYS 50 50 ? A -2.566 -4.345 7.502 1.000 1 A 65.350 1 ATOM 780 C CB . LYS 50 50 ? A -4.997 -4.330 9.709 1.000 1 A 65.350 1 ATOM 781 C CG . LYS 50 50 ? A -6.026 -3.364 10.300 1.000 1 A 65.350 1 ATOM 782 C CD . LYS 50 50 ? A -6.057 -3.399 11.831 1.000 1 A 65.350 1 ATOM 783 C CE . LYS 50 50 ? A -7.132 -2.413 12.307 1.000 1 A 65.350 1 ATOM 784 N NZ . LYS 50 50 ? A -7.320 -2.437 13.777 1.000 1 A 65.350 1 ATOM 785 H H . LYS 50 50 ? A -6.836 -4.977 7.971 1.000 1 A 65.350 1 ATOM 786 H HA . LYS 50 50 ? A -4.631 -3.115 7.967 1.000 1 A 65.350 1 ATOM 787 H HB2 . LYS 50 50 ? A -4.032 -4.132 10.175 1.000 1 A 65.350 1 ATOM 788 H HB3 . LYS 50 50 ? A -5.286 -5.356 9.939 1.000 1 A 65.350 1 ATOM 789 H HG2 . LYS 50 50 ? A -5.801 -2.350 9.968 1.000 1 A 65.350 1 ATOM 790 H HG3 . LYS 50 50 ? A -7.013 -3.657 9.941 1.000 1 A 65.350 1 ATOM 791 H HD2 . LYS 50 50 ? A -5.082 -3.114 12.226 1.000 1 A 65.350 1 ATOM 792 H HD3 . LYS 50 50 ? A -6.308 -4.408 12.160 1.000 1 A 65.350 1 ATOM 793 H HE2 . LYS 50 50 ? A -8.071 -2.667 11.816 1.000 1 A 65.350 1 ATOM 794 H HE3 . LYS 50 50 ? A -6.856 -1.411 11.979 1.000 1 A 65.350 1 ATOM 795 H HZ1 . LYS 50 50 ? A -7.652 -3.344 14.074 1.000 1 A 65.350 1 ATOM 796 H HZ2 . LYS 50 50 ? A -8.021 -1.758 14.036 1.000 1 A 65.350 1 ATOM 797 H HZ3 . LYS 50 50 ? A -6.461 -2.211 14.258 1.000 1 A 65.350 1 ATOM 798 N N . LYS 51 51 ? A -3.745 -6.265 7.543 1.000 1 A 66.430 1 ATOM 799 C CA . LYS 51 51 ? A -2.661 -7.106 7.009 1.000 1 A 66.430 1 ATOM 800 C C . LYS 51 51 ? A -2.285 -6.697 5.589 1.000 1 A 66.430 1 ATOM 801 O O . LYS 51 51 ? A -1.103 -6.623 5.284 1.000 1 A 66.430 1 ATOM 802 C CB . LYS 51 51 ? A -3.047 -8.591 7.037 1.000 1 A 66.430 1 ATOM 803 C CG . LYS 51 51 ? A -2.934 -9.198 8.439 1.000 1 A 66.430 1 ATOM 804 C CD . LYS 51 51 ? A -3.292 -10.687 8.385 1.000 1 A 66.430 1 ATOM 805 C CE . LYS 51 51 ? A -3.150 -11.312 9.774 1.000 1 A 66.430 1 ATOM 806 N NZ . LYS 51 51 ? A -3.331 -12.784 9.724 1.000 1 A 66.430 1 ATOM 807 H H . LYS 51 51 ? A -4.639 -6.687 7.750 1.000 1 A 66.430 1 ATOM 808 H HA . LYS 51 51 ? A -1.758 -6.956 7.602 1.000 1 A 66.430 1 ATOM 809 H HB2 . LYS 51 51 ? A -2.369 -9.134 6.378 1.000 1 A 66.430 1 ATOM 810 H HB3 . LYS 51 51 ? A -4.061 -8.720 6.658 1.000 1 A 66.430 1 ATOM 811 H HG2 . LYS 51 51 ? A -1.909 -9.087 8.794 1.000 1 A 66.430 1 ATOM 812 H HG3 . LYS 51 51 ? A -3.601 -8.683 9.129 1.000 1 A 66.430 1 ATOM 813 H HD2 . LYS 51 51 ? A -4.317 -10.797 8.032 1.000 1 A 66.430 1 ATOM 814 H HD3 . LYS 51 51 ? A -2.618 -11.184 7.687 1.000 1 A 66.430 1 ATOM 815 H HE2 . LYS 51 51 ? A -2.158 -11.074 10.158 1.000 1 A 66.430 1 ATOM 816 H HE3 . LYS 51 51 ? A -3.883 -10.856 10.440 1.000 1 A 66.430 1 ATOM 817 H HZ1 . LYS 51 51 ? A -4.245 -13.021 9.366 1.000 1 A 66.430 1 ATOM 818 H HZ2 . LYS 51 51 ? A -2.633 -13.195 9.119 1.000 1 A 66.430 1 ATOM 819 H HZ3 . LYS 51 51 ? A -3.222 -13.187 10.644 1.000 1 A 66.430 1 ATOM 820 N N . PHE 52 52 ? A -3.274 -6.394 4.750 1.000 1 A 67.110 1 ATOM 821 C CA . PHE 52 52 ? A -3.033 -5.936 3.385 1.000 1 A 67.110 1 ATOM 822 C C . PHE 52 52 ? A -2.283 -4.596 3.357 1.000 1 A 67.110 1 ATOM 823 O O . PHE 52 52 ? A -1.334 -4.446 2.593 1.000 1 A 67.110 1 ATOM 824 C CB . PHE 52 52 ? A -4.368 -5.865 2.636 1.000 1 A 67.110 1 ATOM 825 C CG . PHE 52 52 ? A -4.186 -5.769 1.137 1.000 1 A 67.110 1 ATOM 826 C CD1 . PHE 52 52 ? A -4.103 -4.513 0.509 1.000 1 A 67.110 1 ATOM 827 C CD2 . PHE 52 52 ? A -4.050 -6.945 0.376 1.000 1 A 67.110 1 ATOM 828 C CE1 . PHE 52 52 ? A -3.886 -4.436 -0.878 1.000 1 A 67.110 1 ATOM 829 C CE2 . PHE 52 52 ? A -3.837 -6.866 -1.012 1.000 1 A 67.110 1 ATOM 830 C CZ . PHE 52 52 ? A -3.756 -5.611 -1.639 1.000 1 A 67.110 1 ATOM 831 H H . PHE 52 52 ? A -4.228 -6.523 5.054 1.000 1 A 67.110 1 ATOM 832 H HA . PHE 52 52 ? A -2.399 -6.668 2.885 1.000 1 A 67.110 1 ATOM 833 H HB2 . PHE 52 52 ? A -4.946 -6.765 2.848 1.000 1 A 67.110 1 ATOM 834 H HB3 . PHE 52 52 ? A -4.946 -5.012 2.989 1.000 1 A 67.110 1 ATOM 835 H HD1 . PHE 52 52 ? A -4.183 -3.606 1.091 1.000 1 A 67.110 1 ATOM 836 H HD2 . PHE 52 52 ? A -4.094 -7.910 0.859 1.000 1 A 67.110 1 ATOM 837 H HE1 . PHE 52 52 ? A -3.796 -3.474 -1.360 1.000 1 A 67.110 1 ATOM 838 H HE2 . PHE 52 52 ? A -3.720 -7.768 -1.594 1.000 1 A 67.110 1 ATOM 839 H HZ . PHE 52 52 ? A -3.579 -5.546 -2.702 1.000 1 A 67.110 1 ATOM 840 N N . PHE 53 53 ? A -2.642 -3.650 4.233 1.000 1 A 64.810 1 ATOM 841 C CA . PHE 53 53 ? A -1.894 -2.400 4.396 1.000 1 A 64.810 1 ATOM 842 C C . PHE 53 53 ? A -0.455 -2.605 4.825 1.000 1 A 64.810 1 ATOM 843 O O . PHE 53 53 ? A 0.432 -1.978 4.253 1.000 1 A 64.810 1 ATOM 844 C CB . PHE 53 53 ? A -2.548 -1.499 5.446 1.000 1 A 64.810 1 ATOM 845 C CG . PHE 53 53 ? A -3.537 -0.573 4.825 1.000 1 A 64.810 1 ATOM 846 C CD1 . PHE 53 53 ? A -3.081 0.432 3.953 1.000 1 A 64.810 1 ATOM 847 C CD2 . PHE 53 53 ? A -4.899 -0.746 5.089 1.000 1 A 64.810 1 ATOM 848 C CE1 . PHE 53 53 ? A -4.011 1.226 3.277 1.000 1 A 64.810 1 ATOM 849 C CE2 . PHE 53 53 ? A -5.823 0.072 4.449 1.000 1 A 64.810 1 ATOM 850 C CZ . PHE 53 53 ? A -5.373 1.015 3.513 1.000 1 A 64.810 1 ATOM 851 H H . PHE 53 53 ? A -3.469 -3.794 4.794 1.000 1 A 64.810 1 ATOM 852 H HA . PHE 53 53 ? A -1.861 -1.883 3.437 1.000 1 A 64.810 1 ATOM 853 H HB2 . PHE 53 53 ? A -3.019 -2.101 6.224 1.000 1 A 64.810 1 ATOM 854 H HB3 . PHE 53 53 ? A -1.791 -0.879 5.927 1.000 1 A 64.810 1 ATOM 855 H HD1 . PHE 53 53 ? A -2.025 0.560 3.770 1.000 1 A 64.810 1 ATOM 856 H HD2 . PHE 53 53 ? A -5.239 -1.498 5.785 1.000 1 A 64.810 1 ATOM 857 H HE1 . PHE 53 53 ? A -3.689 1.970 2.564 1.000 1 A 64.810 1 ATOM 858 H HE2 . PHE 53 53 ? A -6.872 -0.056 4.671 1.000 1 A 64.810 1 ATOM 859 H HZ . PHE 53 53 ? A -6.091 1.581 2.939 1.000 1 A 64.810 1 ATOM 860 N N . LEU 54 54 ? A -0.234 -3.450 5.833 1.000 1 A 63.900 1 ATOM 861 C CA . LEU 54 54 ? A 1.105 -3.729 6.333 1.000 1 A 63.900 1 ATOM 862 C C . LEU 54 54 ? A 1.966 -4.343 5.226 1.000 1 A 63.900 1 ATOM 863 O O . LEU 54 54 ? A 3.047 -3.839 4.960 1.000 1 A 63.900 1 ATOM 864 C CB . LEU 54 54 ? A 0.998 -4.639 7.565 1.000 1 A 63.900 1 ATOM 865 C CG . LEU 54 54 ? A 2.336 -4.813 8.305 1.000 1 A 63.900 1 ATOM 866 C CD1 . LEU 54 54 ? A 2.778 -3.514 8.988 1.000 1 A 63.900 1 ATOM 867 C CD2 . LEU 54 54 ? A 2.167 -5.884 9.383 1.000 1 A 63.900 1 ATOM 868 H H . LEU 54 54 ? A -1.022 -3.899 6.277 1.000 1 A 63.900 1 ATOM 869 H HA . LEU 54 54 ? A 1.567 -2.784 6.617 1.000 1 A 63.900 1 ATOM 870 H HB2 . LEU 54 54 ? A 0.642 -5.618 7.244 1.000 1 A 63.900 1 ATOM 871 H HB3 . LEU 54 54 ? A 0.266 -4.223 8.258 1.000 1 A 63.900 1 ATOM 872 H HG . LEU 54 54 ? A 3.109 -5.139 7.609 1.000 1 A 63.900 1 ATOM 873 H HD11 . LEU 54 54 ? A 1.995 -3.139 9.648 1.000 1 A 63.900 1 ATOM 874 H HD12 . LEU 54 54 ? A 3.683 -3.704 9.564 1.000 1 A 63.900 1 ATOM 875 H HD13 . LEU 54 54 ? A 3.025 -2.764 8.236 1.000 1 A 63.900 1 ATOM 876 H HD21 . LEU 54 54 ? A 1.898 -6.828 8.911 1.000 1 A 63.900 1 ATOM 877 H HD22 . LEU 54 54 ? A 1.404 -5.586 10.103 1.000 1 A 63.900 1 ATOM 878 H HD23 . LEU 54 54 ? A 3.120 -6.026 9.892 1.000 1 A 63.900 1 ATOM 879 N N . LEU 55 55 ? A 1.420 -5.321 4.499 1.000 1 A 66.160 1 ATOM 880 C CA . LEU 55 55 ? A 2.096 -5.957 3.370 1.000 1 A 66.160 1 ATOM 881 C C . LEU 55 55 ? A 2.440 -4.948 2.261 1.000 1 A 66.160 1 ATOM 882 O O . LEU 55 55 ? A 3.540 -4.970 1.716 1.000 1 A 66.160 1 ATOM 883 C CB . LEU 55 55 ? A 1.175 -7.066 2.831 1.000 1 A 66.160 1 ATOM 884 C CG . LEU 55 55 ? A 1.908 -8.049 1.904 1.000 1 A 66.160 1 ATOM 885 C CD1 . LEU 55 55 ? A 2.603 -9.141 2.719 1.000 1 A 66.160 1 ATOM 886 C CD2 . LEU 55 55 ? A 0.913 -8.715 0.953 1.000 1 A 66.160 1 ATOM 887 H H . LEU 55 55 ? A 0.522 -5.686 4.781 1.000 1 A 66.160 1 ATOM 888 H HA . LEU 55 55 ? A 3.028 -6.392 3.732 1.000 1 A 66.160 1 ATOM 889 H HB2 . LEU 55 55 ? A 0.352 -6.597 2.291 1.000 1 A 66.160 1 ATOM 890 H HB3 . LEU 55 55 ? A 0.748 -7.626 3.664 1.000 1 A 66.160 1 ATOM 891 H HG . LEU 55 55 ? A 2.647 -7.523 1.299 1.000 1 A 66.160 1 ATOM 892 H HD11 . LEU 55 55 ? A 3.322 -8.686 3.400 1.000 1 A 66.160 1 ATOM 893 H HD12 . LEU 55 55 ? A 1.876 -9.711 3.299 1.000 1 A 66.160 1 ATOM 894 H HD13 . LEU 55 55 ? A 3.146 -9.809 2.051 1.000 1 A 66.160 1 ATOM 895 H HD21 . LEU 55 55 ? A 0.442 -7.955 0.329 1.000 1 A 66.160 1 ATOM 896 H HD22 . LEU 55 55 ? A 1.443 -9.416 0.309 1.000 1 A 66.160 1 ATOM 897 H HD23 . LEU 55 55 ? A 0.150 -9.246 1.522 1.000 1 A 66.160 1 ATOM 898 N N . MET 56 56 ? A 1.511 -4.043 1.928 1.000 1 A 63.950 1 ATOM 899 C CA . MET 56 56 ? A 1.760 -2.978 0.948 1.000 1 A 63.950 1 ATOM 900 C C . MET 56 56 ? A 2.814 -1.979 1.440 1.000 1 A 63.950 1 ATOM 901 O O . MET 56 56 ? A 3.595 -1.487 0.632 1.000 1 A 63.950 1 ATOM 902 C CB . MET 56 56 ? A 0.460 -2.225 0.622 1.000 1 A 63.950 1 ATOM 903 C CG . MET 56 56 ? A -0.535 -3.031 -0.223 1.000 1 A 63.950 1 ATOM 904 S SD . MET 56 56 ? A -0.901 -2.317 -1.856 1.000 1 A 63.950 1 ATOM 905 C CE . MET 56 56 ? A 0.620 -2.765 -2.736 1.000 1 A 63.950 1 ATOM 906 H H . MET 56 56 ? A 0.612 -4.089 2.386 1.000 1 A 63.950 1 ATOM 907 H HA . MET 56 56 ? A 2.149 -3.424 0.033 1.000 1 A 63.950 1 ATOM 908 H HB2 . MET 56 56 ? A 0.712 -1.313 0.081 1.000 1 A 63.950 1 ATOM 909 H HB3 . MET 56 56 ? A -0.025 -1.926 1.552 1.000 1 A 63.950 1 ATOM 910 H HG2 . MET 56 56 ? A -0.176 -4.052 -0.352 1.000 1 A 63.950 1 ATOM 911 H HG3 . MET 56 56 ? A -1.473 -3.085 0.331 1.000 1 A 63.950 1 ATOM 912 H HE1 . MET 56 56 ? A 0.755 -3.846 -2.708 1.000 1 A 63.950 1 ATOM 913 H HE2 . MET 56 56 ? A 0.557 -2.439 -3.774 1.000 1 A 63.950 1 ATOM 914 H HE3 . MET 56 56 ? A 1.476 -2.287 -2.260 1.000 1 A 63.950 1 ATOM 915 N N . TYR 57 57 ? A 2.834 -1.664 2.737 1.000 1 A 61.920 1 ATOM 916 C CA . TYR 57 57 ? A 3.826 -0.779 3.347 1.000 1 A 61.920 1 ATOM 917 C C . TYR 57 57 ? A 5.223 -1.413 3.351 1.000 1 A 61.920 1 ATOM 918 O O . TYR 57 57 ? A 6.173 -0.755 2.939 1.000 1 A 61.920 1 ATOM 919 C CB . TYR 57 57 ? A 3.371 -0.396 4.762 1.000 1 A 61.920 1 ATOM 920 C CG . TYR 57 57 ? A 4.314 0.560 5.465 1.000 1 A 61.920 1 ATOM 921 C CD1 . TYR 57 57 ? A 5.335 0.057 6.295 1.000 1 A 61.920 1 ATOM 922 C CD2 . TYR 57 57 ? A 4.191 1.948 5.262 1.000 1 A 61.920 1 ATOM 923 C CE1 . TYR 57 57 ? A 6.229 0.942 6.927 1.000 1 A 61.920 1 ATOM 924 C CE2 . TYR 57 57 ? A 5.089 2.836 5.886 1.000 1 A 61.920 1 ATOM 925 C CZ . TYR 57 57 ? A 6.112 2.331 6.721 1.000 1 A 61.920 1 ATOM 926 O OH . TYR 57 57 ? A 6.983 3.182 7.323 1.000 1 A 61.920 1 ATOM 927 H H . TYR 57 57 ? A 2.168 -2.112 3.351 1.000 1 A 61.920 1 ATOM 928 H HA . TYR 57 57 ? A 3.893 0.133 2.754 1.000 1 A 61.920 1 ATOM 929 H HB2 . TYR 57 57 ? A 3.272 -1.296 5.368 1.000 1 A 61.920 1 ATOM 930 H HB3 . TYR 57 57 ? A 2.386 0.067 4.702 1.000 1 A 61.920 1 ATOM 931 H HD1 . TYR 57 57 ? A 5.452 -1.008 6.428 1.000 1 A 61.920 1 ATOM 932 H HD2 . TYR 57 57 ? A 3.418 2.326 4.610 1.000 1 A 61.920 1 ATOM 933 H HE1 . TYR 57 57 ? A 7.027 0.561 7.548 1.000 1 A 61.920 1 ATOM 934 H HE2 . TYR 57 57 ? A 5.005 3.900 5.721 1.000 1 A 61.920 1 ATOM 935 H HH . TYR 57 57 ? A 6.899 4.079 6.993 1.000 1 A 61.920 1 ATOM 936 N N . GLU 58 58 ? A 5.340 -2.688 3.734 1.000 1 A 57.770 1 ATOM 937 C CA . GLU 58 58 ? A 6.597 -3.451 3.688 1.000 1 A 57.770 1 ATOM 938 C C . GLU 58 58 ? A 7.141 -3.521 2.256 1.000 1 A 57.770 1 ATOM 939 O O . GLU 58 58 ? A 8.287 -3.154 2.007 1.000 1 A 57.770 1 ATOM 940 C CB . GLU 58 58 ? A 6.382 -4.863 4.268 1.000 1 A 57.770 1 ATOM 941 C CG . GLU 58 58 ? A 6.215 -4.830 5.795 1.000 1 A 57.770 1 ATOM 942 C CD . GLU 58 58 ? A 6.027 -6.229 6.406 1.000 1 A 57.770 1 ATOM 943 O OE1 . GLU 58 58 ? A 6.854 -6.609 7.264 1.000 1 A 57.770 1 ATOM 944 O OE2 . GLU 58 58 ? A 4.996 -6.877 6.097 1.000 1 A 57.770 1 ATOM 945 H H . GLU 58 58 ? A 4.525 -3.169 4.087 1.000 1 A 57.770 1 ATOM 946 H HA . GLU 58 58 ? A 7.358 -2.948 4.285 1.000 1 A 57.770 1 ATOM 947 H HB2 . GLU 58 58 ? A 7.252 -5.475 4.030 1.000 1 A 57.770 1 ATOM 948 H HB3 . GLU 58 58 ? A 5.505 -5.317 3.807 1.000 1 A 57.770 1 ATOM 949 H HG2 . GLU 58 58 ? A 5.358 -4.210 6.059 1.000 1 A 57.770 1 ATOM 950 H HG3 . GLU 58 58 ? A 7.094 -4.354 6.229 1.000 1 A 57.770 1 ATOM 951 N N . PHE 59 59 ? A 6.285 -3.847 1.281 1.000 1 A 61.160 1 ATOM 952 C CA . PHE 59 59 ? A 6.671 -3.872 -0.133 1.000 1 A 61.160 1 ATOM 953 C C . PHE 59 59 ? A 7.160 -2.511 -0.655 1.000 1 A 61.160 1 ATOM 954 O O . PHE 59 59 ? A 7.973 -2.447 -1.574 1.000 1 A 61.160 1 ATOM 955 C CB . PHE 59 59 ? A 5.470 -4.358 -0.953 1.000 1 A 61.160 1 ATOM 956 C CG . PHE 59 59 ? A 5.809 -4.639 -2.400 1.000 1 A 61.160 1 ATOM 957 C CD1 . PHE 59 59 ? A 5.481 -3.715 -3.407 1.000 1 A 61.160 1 ATOM 958 C CD2 . PHE 59 59 ? A 6.480 -5.829 -2.736 1.000 1 A 61.160 1 ATOM 959 C CE1 . PHE 59 59 ? A 5.808 -4.001 -4.742 1.000 1 A 61.160 1 ATOM 960 C CE2 . PHE 59 59 ? A 6.824 -6.099 -4.071 1.000 1 A 61.160 1 ATOM 961 C CZ . PHE 59 59 ? A 6.487 -5.182 -5.079 1.000 1 A 61.160 1 ATOM 962 H H . PHE 59 59 ? A 5.358 -4.154 1.540 1.000 1 A 61.160 1 ATOM 963 H HA . PHE 59 59 ? A 7.494 -4.576 -0.252 1.000 1 A 61.160 1 ATOM 964 H HB2 . PHE 59 59 ? A 5.094 -5.281 -0.511 1.000 1 A 61.160 1 ATOM 965 H HB3 . PHE 59 59 ? A 4.672 -3.617 -0.900 1.000 1 A 61.160 1 ATOM 966 H HD1 . PHE 59 59 ? A 4.984 -2.791 -3.153 1.000 1 A 61.160 1 ATOM 967 H HD2 . PHE 59 59 ? A 6.755 -6.526 -1.957 1.000 1 A 61.160 1 ATOM 968 H HE1 . PHE 59 59 ? A 5.522 -3.307 -5.519 1.000 1 A 61.160 1 ATOM 969 H HE2 . PHE 59 59 ? A 7.360 -7.005 -4.316 1.000 1 A 61.160 1 ATOM 970 H HZ . PHE 59 59 ? A 6.752 -5.386 -6.106 1.000 1 A 61.160 1 ATOM 971 N N . LEU 60 60 ? A 6.659 -1.416 -0.082 1.000 1 A 57.360 1 ATOM 972 C CA . LEU 60 60 ? A 7.020 -0.059 -0.475 1.000 1 A 57.360 1 ATOM 973 C C . LEU 60 60 ? A 8.306 0.466 0.157 1.000 1 A 57.360 1 ATOM 974 O O . LEU 60 60 ? A 8.906 1.377 -0.410 1.000 1 A 57.360 1 ATOM 975 C CB . LEU 60 60 ? A 5.849 0.876 -0.122 1.000 1 A 57.360 1 ATOM 976 C CG . LEU 60 60 ? A 4.782 0.856 -1.212 1.000 1 A 57.360 1 ATOM 977 C CD1 . LEU 60 60 ? A 3.548 1.664 -0.789 1.000 1 A 57.360 1 ATOM 978 C CD2 . LEU 60 60 ? A 5.386 1.462 -2.475 1.000 1 A 57.360 1 ATOM 979 H H . LEU 60 60 ? A 6.021 -1.539 0.692 1.000 1 A 57.360 1 ATOM 980 H HA . LEU 60 60 ? A 7.210 -0.057 -1.548 1.000 1 A 57.360 1 ATOM 981 H HB2 . LEU 60 60 ? A 5.411 0.577 0.830 1.000 1 A 57.360 1 ATOM 982 H HB3 . LEU 60 60 ? A 6.213 1.897 -0.007 1.000 1 A 57.360 1 ATOM 983 H HG . LEU 60 60 ? A 4.474 -0.167 -1.427 1.000 1 A 57.360 1 ATOM 984 H HD11 . LEU 60 60 ? A 3.128 1.210 0.109 1.000 1 A 57.360 1 ATOM 985 H HD12 . LEU 60 60 ? A 2.802 1.630 -1.582 1.000 1 A 57.360 1 ATOM 986 H HD13 . LEU 60 60 ? A 3.834 2.694 -0.576 1.000 1 A 57.360 1 ATOM 987 H HD21 . LEU 60 60 ? A 4.813 2.351 -2.740 1.000 1 A 57.360 1 ATOM 988 H HD22 . LEU 60 60 ? A 5.386 0.702 -3.256 1.000 1 A 57.360 1 ATOM 989 H HD23 . LEU 60 60 ? A 6.412 1.797 -2.323 1.000 1 A 57.360 1 ATOM 990 N N . TYR 61 61 ? A 8.679 -0.045 1.329 1.000 1 A 53.010 1 ATOM 991 C CA . TYR 61 61 ? A 9.796 0.473 2.119 1.000 1 A 53.010 1 ATOM 992 C C . TYR 61 61 ? A 11.030 -0.447 2.105 1.000 1 A 53.010 1 ATOM 993 O O . TYR 61 61 ? A 12.121 0.025 2.415 1.000 1 A 53.010 1 ATOM 994 C CB . TYR 61 61 ? A 9.304 0.807 3.540 1.000 1 A 53.010 1 ATOM 995 C CG . TYR 61 61 ? A 9.665 2.207 4.005 1.000 1 A 53.010 1 ATOM 996 C CD1 . TYR 61 61 ? A 10.861 2.427 4.711 1.000 1 A 53.010 1 ATOM 997 C CD2 . TYR 61 61 ? A 8.808 3.289 3.721 1.000 1 A 53.010 1 ATOM 998 C CE1 . TYR 61 61 ? A 11.198 3.722 5.151 1.000 1 A 53.010 1 ATOM 999 C CE2 . TYR 61 61 ? A 9.140 4.589 4.152 1.000 1 A 53.010 1 ATOM 1000 C CZ . TYR 61 61 ? A 10.335 4.804 4.871 1.000 1 A 53.010 1 ATOM 1001 O OH . TYR 61 61 ? A 10.658 6.056 5.294 1.000 1 A 53.010 1 ATOM 1002 H H . TYR 61 61 ? A 8.119 -0.784 1.730 1.000 1 A 53.010 1 ATOM 1003 H HA . TYR 61 61 ? A 10.132 1.407 1.668 1.000 1 A 53.010 1 ATOM 1004 H HB2 . TYR 61 61 ? A 9.705 0.076 4.242 1.000 1 A 53.010 1 ATOM 1005 H HB3 . TYR 61 61 ? A 8.219 0.717 3.590 1.000 1 A 53.010 1 ATOM 1006 H HD1 . TYR 61 61 ? A 11.526 1.596 4.896 1.000 1 A 53.010 1 ATOM 1007 H HD2 . TYR 61 61 ? A 7.900 3.109 3.164 1.000 1 A 53.010 1 ATOM 1008 H HE1 . TYR 61 61 ? A 12.121 3.877 5.689 1.000 1 A 53.010 1 ATOM 1009 H HE2 . TYR 61 61 ? A 8.494 5.425 3.931 1.000 1 A 53.010 1 ATOM 1010 H HH . TYR 61 61 ? A 11.501 6.043 5.754 1.000 1 A 53.010 1 ATOM 1011 N N . GLU 62 62 ? A 10.887 -1.723 1.719 1.000 1 A 47.640 1 ATOM 1012 C CA . GLU 62 62 ? A 11.998 -2.687 1.576 1.000 1 A 47.640 1 ATOM 1013 C C . GLU 62 62 ? A 12.516 -2.878 0.125 1.000 1 A 47.640 1 ATOM 1014 O O . GLU 62 62 ? A 13.344 -3.757 -0.119 1.000 1 A 47.640 1 ATOM 1015 C CB . GLU 62 62 ? A 11.645 -4.033 2.247 1.000 1 A 47.640 1 ATOM 1016 C CG . GLU 62 62 ? A 11.599 -3.962 3.781 1.000 1 A 47.640 1 ATOM 1017 C CD . GLU 62 62 ? A 11.650 -5.372 4.392 1.000 1 A 47.640 1 ATOM 1018 O OE1 . GLU 62 62 ? A 12.776 -5.839 4.692 1.000 1 A 47.640 1 ATOM 1019 O OE2 . GLU 62 62 ? A 10.568 -5.978 4.547 1.000 1 A 47.640 1 ATOM 1020 H H . GLU 62 62 ? A 9.954 -2.085 1.582 1.000 1 A 47.640 1 ATOM 1021 H HA . GLU 62 62 ? A 12.859 -2.295 2.117 1.000 1 A 47.640 1 ATOM 1022 H HB2 . GLU 62 62 ? A 12.413 -4.761 1.986 1.000 1 A 47.640 1 ATOM 1023 H HB3 . GLU 62 62 ? A 10.695 -4.403 1.862 1.000 1 A 47.640 1 ATOM 1024 H HG2 . GLU 62 62 ? A 10.693 -3.443 4.094 1.000 1 A 47.640 1 ATOM 1025 H HG3 . GLU 62 62 ? A 12.453 -3.386 4.138 1.000 1 A 47.640 1 ATOM 1026 N N . SER 63 63 ? A 12.085 -2.061 -0.850 1.000 1 A 44.510 1 ATOM 1027 C CA . SER 63 63 ? A 12.623 -2.015 -2.235 1.000 1 A 44.510 1 ATOM 1028 C C . SER 63 63 ? A 13.262 -0.671 -2.566 1.000 1 A 44.510 1 ATOM 1029 O O . SER 63 63 ? A 14.302 -0.679 -3.264 1.000 1 A 44.510 1 ATOM 1030 C CB . SER 63 63 ? A 11.524 -2.322 -3.255 1.000 1 A 44.510 1 ATOM 1031 O OG . SER 63 63 ? A 11.638 -3.681 -3.615 1.000 1 A 44.510 1 ATOM 1032 O OXT . SER 63 63 ? A 12.649 0.350 -2.192 1.000 1 A 44.510 1 ATOM 1033 H H . SER 63 63 ? A 11.489 -1.292 -0.579 1.000 1 A 44.510 1 ATOM 1034 H HA . SER 63 63 ? A 13.433 -2.735 -2.345 1.000 1 A 44.510 1 ATOM 1035 H HB2 . SER 63 63 ? A 11.647 -1.696 -4.139 1.000 1 A 44.510 1 ATOM 1036 H HB3 . SER 63 63 ? A 10.545 -2.123 -2.818 1.000 1 A 44.510 1 ATOM 1037 H HG . SER 63 63 ? A 11.864 -4.127 -2.795 1.000 1 A 44.510 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 61.275 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 49.800 2 1 A 2 ALA 2 56.400 3 1 A 3 ALA 2 57.880 4 1 A 4 THR 2 58.940 5 1 A 5 TYR 2 60.470 6 1 A 6 LYS 2 63.380 7 1 A 7 LEU 2 64.480 8 1 A 8 GLN 2 66.100 9 1 A 9 LEU 2 66.660 10 1 A 10 MET 2 67.480 11 1 A 11 GLY 2 62.280 12 1 A 12 CYS 2 60.510 13 1 A 13 ASN 2 61.720 14 1 A 14 THR 2 57.740 15 1 A 15 ALA 2 61.160 16 1 A 16 THR 2 60.800 17 1 A 17 TYR 2 61.750 18 1 A 18 ARG 2 62.560 19 1 A 19 LEU 2 65.520 20 1 A 20 HIS 2 64.290 21 1 A 21 LEU 2 63.620 22 1 A 22 ILE 2 65.390 23 1 A 23 ASP 2 62.620 24 1 A 24 ARG 2 59.320 25 1 A 25 ASP 2 61.690 26 1 A 26 SER 2 56.300 27 1 A 27 LYS 2 63.800 28 1 A 28 GLY 2 63.930 29 1 A 29 MET 2 61.910 30 1 A 30 LYS 2 58.940 31 1 A 31 THR 2 61.820 32 1 A 32 LEU 2 60.740 33 1 A 33 PRO 2 57.770 34 1 A 34 SER 2 61.190 35 1 A 35 ILE 2 59.310 36 1 A 36 GLN 2 57.020 37 1 A 37 ASN 2 60.240 38 1 A 38 LEU 2 62.350 39 1 A 39 SER 2 59.670 40 1 A 40 PHE 2 64.570 41 1 A 41 ASN 2 61.530 42 1 A 42 PRO 2 59.480 43 1 A 43 ASP 2 63.220 44 1 A 44 ASN 2 62.040 45 1 A 45 VAL 2 62.520 46 1 A 46 SER 2 64.540 47 1 A 47 VAL 2 66.390 48 1 A 48 TYR 2 64.100 49 1 A 49 GLU 2 63.300 50 1 A 50 LYS 2 65.350 51 1 A 51 LYS 2 66.430 52 1 A 52 PHE 2 67.110 53 1 A 53 PHE 2 64.810 54 1 A 54 LEU 2 63.900 55 1 A 55 LEU 2 66.160 56 1 A 56 MET 2 63.950 57 1 A 57 TYR 2 61.920 58 1 A 58 GLU 2 57.770 59 1 A 59 PHE 2 61.160 60 1 A 60 LEU 2 57.360 61 1 A 61 TYR 2 53.010 62 1 A 62 GLU 2 47.640 63 1 A 63 SER 2 44.510 _database_2.database_id ModelArchive _database_2.database_code ma-asfv-asfvg-015 _database_2.pdbx_DOI 10.5452/ma-asfv-asfvg-015 _pdbx_database_status.entry_id ma-asfv-asfvg-015 _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'