data_ma-asfv-asfvg-001 _entry.id ma-asfv-asfvg-001 _entry.ma_collection_id ma-asfv-asfvg _struct.entry_id ma-asfv-asfvg-001 _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 285L' _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' TRP 'L-peptide linking' TRYPTOPHAN 'C11 H12 N2 O2' 204.229 '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 285L protein' 12596.241 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 . A0A485PQD1_ASF A0A485PQD1 . 1 94 10497 'African swine fever virus (ASFV)' 2019-06-05 B402CE5F00A49C6F 1 NCBI . CAD2068351.1 1886136876 . 1 94 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 ;MLLEEVILIALILIWIAIILYSTIQIKIKPFSSSVSHKCGCGHHASNESPRPGFHRCEYDHPRFERTYSC NRHSCISCCSPHQTCLRFQSYHRV ; ;MLLEEVILIALILIWIAIILYSTIQIKIKPFSSSVSHKCGCGHHASNESPRPGFHRCEYDHPRFERTYSC NRHSCISCCSPHQTCLRFQSYHRV ; loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 MET . 1 2 LEU . 1 3 LEU . 1 4 GLU . 1 5 GLU . 1 6 VAL . 1 7 ILE . 1 8 LEU . 1 9 ILE . 1 10 ALA . 1 11 LEU . 1 12 ILE . 1 13 LEU . 1 14 ILE . 1 15 TRP . 1 16 ILE . 1 17 ALA . 1 18 ILE . 1 19 ILE . 1 20 LEU . 1 21 TYR . 1 22 SER . 1 23 THR . 1 24 ILE . 1 25 GLN . 1 26 ILE . 1 27 LYS . 1 28 ILE . 1 29 LYS . 1 30 PRO . 1 31 PHE . 1 32 SER . 1 33 SER . 1 34 SER . 1 35 VAL . 1 36 SER . 1 37 HIS . 1 38 LYS . 1 39 CYS . 1 40 GLY . 1 41 CYS . 1 42 GLY . 1 43 HIS . 1 44 HIS . 1 45 ALA . 1 46 SER . 1 47 ASN . 1 48 GLU . 1 49 SER . 1 50 PRO . 1 51 ARG . 1 52 PRO . 1 53 GLY . 1 54 PHE . 1 55 HIS . 1 56 ARG . 1 57 CYS . 1 58 GLU . 1 59 TYR . 1 60 ASP . 1 61 HIS . 1 62 PRO . 1 63 ARG . 1 64 PHE . 1 65 GLU . 1 66 ARG . 1 67 THR . 1 68 TYR . 1 69 SER . 1 70 CYS . 1 71 ASN . 1 72 ARG . 1 73 HIS . 1 74 SER . 1 75 CYS . 1 76 ILE . 1 77 SER . 1 78 CYS . 1 79 CYS . 1 80 SER . 1 81 PRO . 1 82 HIS . 1 83 GLN . 1 84 THR . 1 85 CYS . 1 86 LEU . 1 87 ARG . 1 88 PHE . 1 89 GLN . 1 90 SER . 1 91 TYR . 1 92 HIS . 1 93 ARG . 1 94 VAL . 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 LEU 2 2 LEU LEU A . A 1 3 LEU 3 3 LEU LEU A . A 1 4 GLU 4 4 GLU GLU A . A 1 5 GLU 5 5 GLU GLU A . A 1 6 VAL 6 6 VAL VAL A . A 1 7 ILE 7 7 ILE ILE A . A 1 8 LEU 8 8 LEU LEU A . A 1 9 ILE 9 9 ILE ILE A . A 1 10 ALA 10 10 ALA ALA A . A 1 11 LEU 11 11 LEU LEU A . A 1 12 ILE 12 12 ILE ILE A . A 1 13 LEU 13 13 LEU LEU A . A 1 14 ILE 14 14 ILE ILE A . A 1 15 TRP 15 15 TRP TRP A . A 1 16 ILE 16 16 ILE ILE A . A 1 17 ALA 17 17 ALA ALA A . A 1 18 ILE 18 18 ILE ILE A . A 1 19 ILE 19 19 ILE ILE A . A 1 20 LEU 20 20 LEU LEU A . A 1 21 TYR 21 21 TYR TYR A . A 1 22 SER 22 22 SER SER A . A 1 23 THR 23 23 THR THR A . A 1 24 ILE 24 24 ILE ILE A . A 1 25 GLN 25 25 GLN GLN A . A 1 26 ILE 26 26 ILE ILE A . A 1 27 LYS 27 27 LYS LYS A . A 1 28 ILE 28 28 ILE ILE A . A 1 29 LYS 29 29 LYS LYS A . A 1 30 PRO 30 30 PRO PRO A . A 1 31 PHE 31 31 PHE PHE A . A 1 32 SER 32 32 SER SER A . A 1 33 SER 33 33 SER SER A . A 1 34 SER 34 34 SER SER A . A 1 35 VAL 35 35 VAL VAL A . A 1 36 SER 36 36 SER SER A . A 1 37 HIS 37 37 HIS HIS A . A 1 38 LYS 38 38 LYS LYS A . A 1 39 CYS 39 39 CYS CYS A . A 1 40 GLY 40 40 GLY GLY A . A 1 41 CYS 41 41 CYS CYS A . A 1 42 GLY 42 42 GLY GLY A . A 1 43 HIS 43 43 HIS HIS A . A 1 44 HIS 44 44 HIS HIS A . A 1 45 ALA 45 45 ALA ALA A . A 1 46 SER 46 46 SER SER A . A 1 47 ASN 47 47 ASN ASN A . A 1 48 GLU 48 48 GLU GLU A . A 1 49 SER 49 49 SER SER A . A 1 50 PRO 50 50 PRO PRO A . A 1 51 ARG 51 51 ARG ARG A . A 1 52 PRO 52 52 PRO PRO A . A 1 53 GLY 53 53 GLY GLY A . A 1 54 PHE 54 54 PHE PHE A . A 1 55 HIS 55 55 HIS HIS A . A 1 56 ARG 56 56 ARG ARG A . A 1 57 CYS 57 57 CYS CYS A . A 1 58 GLU 58 58 GLU GLU A . A 1 59 TYR 59 59 TYR TYR A . A 1 60 ASP 60 60 ASP ASP A . A 1 61 HIS 61 61 HIS HIS A . A 1 62 PRO 62 62 PRO PRO A . A 1 63 ARG 63 63 ARG ARG A . A 1 64 PHE 64 64 PHE PHE A . A 1 65 GLU 65 65 GLU GLU A . A 1 66 ARG 66 66 ARG ARG A . A 1 67 THR 67 67 THR THR A . A 1 68 TYR 68 68 TYR TYR A . A 1 69 SER 69 69 SER SER A . A 1 70 CYS 70 70 CYS CYS A . A 1 71 ASN 71 71 ASN ASN A . A 1 72 ARG 72 72 ARG ARG A . A 1 73 HIS 73 73 HIS HIS A . A 1 74 SER 74 74 SER SER A . A 1 75 CYS 75 75 CYS CYS A . A 1 76 ILE 76 76 ILE ILE A . A 1 77 SER 77 77 SER SER A . A 1 78 CYS 78 78 CYS CYS A . A 1 79 CYS 79 79 CYS CYS A . A 1 80 SER 80 80 SER SER A . A 1 81 PRO 81 81 PRO PRO A . A 1 82 HIS 82 82 HIS HIS A . A 1 83 GLN 83 83 GLN GLN A . A 1 84 THR 84 84 THR THR A . A 1 85 CYS 85 85 CYS CYS A . A 1 86 LEU 86 86 LEU LEU A . A 1 87 ARG 87 87 ARG ARG A . A 1 88 PHE 88 88 PHE PHE A . A 1 89 GLN 89 89 GLN GLN A . A 1 90 SER 90 90 SER SER A . A 1 91 TYR 91 91 TYR TYR A . A 1 92 HIS 92 92 HIS HIS A . A 1 93 ARG 93 93 ARG ARG A . A 1 94 VAL 94 94 VAL VAL A . loop_ _ma_data.id _ma_data.name _ma_data.content_type _ma_data.content_type_other_details 1 'ASFV-G 285L 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 22.298 4.686 -33.145 1.000 1 A 62.620 1 ATOM 2 C CA . MET 1 1 ? A 21.274 5.064 -32.158 1.000 1 A 62.620 1 ATOM 3 C C . MET 1 1 ? A 20.962 6.527 -32.363 1.000 1 A 62.620 1 ATOM 4 O O . MET 1 1 ? A 21.782 7.373 -32.017 1.000 1 A 62.620 1 ATOM 5 C CB . MET 1 1 ? A 21.710 4.804 -30.712 1.000 1 A 62.620 1 ATOM 6 C CG . MET 1 1 ? A 21.652 3.318 -30.360 1.000 1 A 62.620 1 ATOM 7 S SD . MET 1 1 ? A 22.010 3.023 -28.612 1.000 1 A 62.620 1 ATOM 8 C CE . MET 1 1 ? A 22.417 1.259 -28.667 1.000 1 A 62.620 1 ATOM 9 H H . MET 1 1 ? A 23.116 5.265 -33.016 1.000 1 A 62.620 1 ATOM 10 H H2 . MET 1 1 ? A 22.537 3.711 -33.035 1.000 1 A 62.620 1 ATOM 11 H HA . MET 1 1 ? A 20.360 4.500 -32.341 1.000 1 A 62.620 1 ATOM 12 H HB2 . MET 1 1 ? A 22.718 5.184 -30.546 1.000 1 A 62.620 1 ATOM 13 H HB3 . MET 1 1 ? A 21.027 5.330 -30.045 1.000 1 A 62.620 1 ATOM 14 H HG2 . MET 1 1 ? A 20.659 2.928 -30.584 1.000 1 A 62.620 1 ATOM 15 H HG3 . MET 1 1 ? A 22.385 2.783 -30.964 1.000 1 A 62.620 1 ATOM 16 H HE1 . MET 1 1 ? A 22.657 0.911 -27.662 1.000 1 A 62.620 1 ATOM 17 H HE2 . MET 1 1 ? A 23.277 1.098 -29.316 1.000 1 A 62.620 1 ATOM 18 H HE3 . MET 1 1 ? A 21.563 0.698 -29.045 1.000 1 A 62.620 1 ATOM 19 H H3 . MET 1 1 ? A 21.928 4.830 -34.073 1.000 1 A 62.620 1 ATOM 20 N N . LEU 2 2 ? A 19.849 6.809 -33.028 1.000 1 A 79.480 1 ATOM 21 C CA . LEU 2 2 ? A 19.340 8.166 -33.204 1.000 1 A 79.480 1 ATOM 22 C C . LEU 2 2 ? A 18.824 8.674 -31.850 1.000 1 A 79.480 1 ATOM 23 O O . LEU 2 2 ? A 18.303 7.895 -31.053 1.000 1 A 79.480 1 ATOM 24 C CB . LEU 2 2 ? A 18.245 8.144 -34.289 1.000 1 A 79.480 1 ATOM 25 C CG . LEU 2 2 ? A 18.807 7.954 -35.713 1.000 1 A 79.480 1 ATOM 26 C CD1 . LEU 2 2 ? A 17.754 7.358 -36.643 1.000 1 A 79.480 1 ATOM 27 C CD2 . LEU 2 2 ? A 19.276 9.288 -36.299 1.000 1 A 79.480 1 ATOM 28 H H . LEU 2 2 ? A 19.203 6.054 -33.208 1.000 1 A 79.480 1 ATOM 29 H HA . LEU 2 2 ? A 20.149 8.823 -33.523 1.000 1 A 79.480 1 ATOM 30 H HB2 . LEU 2 2 ? A 17.556 7.330 -34.062 1.000 1 A 79.480 1 ATOM 31 H HB3 . LEU 2 2 ? A 17.670 9.069 -34.254 1.000 1 A 79.480 1 ATOM 32 H HG . LEU 2 2 ? A 19.653 7.267 -35.687 1.000 1 A 79.480 1 ATOM 33 H HD11 . LEU 2 2 ? A 18.162 7.236 -37.646 1.000 1 A 79.480 1 ATOM 34 H HD12 . LEU 2 2 ? A 16.882 8.010 -36.687 1.000 1 A 79.480 1 ATOM 35 H HD13 . LEU 2 2 ? A 17.443 6.382 -36.270 1.000 1 A 79.480 1 ATOM 36 H HD21 . LEU 2 2 ? A 20.052 9.726 -35.671 1.000 1 A 79.480 1 ATOM 37 H HD22 . LEU 2 2 ? A 19.679 9.128 -37.298 1.000 1 A 79.480 1 ATOM 38 H HD23 . LEU 2 2 ? A 18.435 9.978 -36.369 1.000 1 A 79.480 1 ATOM 39 N N . LEU 3 3 ? A 18.963 9.974 -31.581 1.000 1 A 88.750 1 ATOM 40 C CA . LEU 3 3 ? A 18.463 10.611 -30.352 1.000 1 A 88.750 1 ATOM 41 C C . LEU 3 3 ? A 16.983 10.264 -30.091 1.000 1 A 88.750 1 ATOM 42 O O . LEU 3 3 ? A 16.580 10.047 -28.951 1.000 1 A 88.750 1 ATOM 43 C CB . LEU 3 3 ? A 18.652 12.131 -30.518 1.000 1 A 88.750 1 ATOM 44 C CG . LEU 3 3 ? A 18.291 12.968 -29.277 1.000 1 A 88.750 1 ATOM 45 C CD1 . LEU 3 3 ? A 19.336 12.815 -28.170 1.000 1 A 88.750 1 ATOM 46 C CD2 . LEU 3 3 ? A 18.212 14.445 -29.664 1.000 1 A 88.750 1 ATOM 47 H H . LEU 3 3 ? A 19.411 10.561 -32.270 1.000 1 A 88.750 1 ATOM 48 H HA . LEU 3 3 ? A 19.047 10.252 -29.504 1.000 1 A 88.750 1 ATOM 49 H HB2 . LEU 3 3 ? A 19.688 12.337 -30.787 1.000 1 A 88.750 1 ATOM 50 H HB3 . LEU 3 3 ? A 18.025 12.459 -31.347 1.000 1 A 88.750 1 ATOM 51 H HG . LEU 3 3 ? A 17.316 12.669 -28.894 1.000 1 A 88.750 1 ATOM 52 H HD11 . LEU 3 3 ? A 20.320 13.109 -28.534 1.000 1 A 88.750 1 ATOM 53 H HD12 . LEU 3 3 ? A 19.365 11.779 -27.831 1.000 1 A 88.750 1 ATOM 54 H HD13 . LEU 3 3 ? A 19.063 13.444 -27.323 1.000 1 A 88.750 1 ATOM 55 H HD21 . LEU 3 3 ? A 17.441 14.585 -30.422 1.000 1 A 88.750 1 ATOM 56 H HD22 . LEU 3 3 ? A 17.947 15.039 -28.790 1.000 1 A 88.750 1 ATOM 57 H HD23 . LEU 3 3 ? A 19.170 14.786 -30.056 1.000 1 A 88.750 1 ATOM 58 N N . GLU 4 4 ? A 16.201 10.146 -31.164 1.000 1 A 87.410 1 ATOM 59 C CA . GLU 4 4 ? A 14.788 9.760 -31.136 1.000 1 A 87.410 1 ATOM 60 C C . GLU 4 4 ? A 14.562 8.367 -30.532 1.000 1 A 87.410 1 ATOM 61 O O . GLU 4 4 ? A 13.652 8.189 -29.722 1.000 1 A 87.410 1 ATOM 62 C CB . GLU 4 4 ? A 14.236 9.805 -32.568 1.000 1 A 87.410 1 ATOM 63 C CG . GLU 4 4 ? A 14.306 11.218 -33.170 1.000 1 A 87.410 1 ATOM 64 C CD . GLU 4 4 ? A 13.673 11.293 -34.565 1.000 1 A 87.410 1 ATOM 65 O OE1 . GLU 4 4 ? A 13.145 12.378 -34.891 1.000 1 A 87.410 1 ATOM 66 O OE2 . GLU 4 4 ? A 13.762 10.284 -35.299 1.000 1 A 87.410 1 ATOM 67 H H . GLU 4 4 ? A 16.597 10.354 -32.069 1.000 1 A 87.410 1 ATOM 68 H HA . GLU 4 4 ? A 14.230 10.472 -30.527 1.000 1 A 87.410 1 ATOM 69 H HB2 . GLU 4 4 ? A 14.807 9.113 -33.187 1.000 1 A 87.410 1 ATOM 70 H HB3 . GLU 4 4 ? A 13.195 9.483 -32.549 1.000 1 A 87.410 1 ATOM 71 H HG2 . GLU 4 4 ? A 13.795 11.906 -32.496 1.000 1 A 87.410 1 ATOM 72 H HG3 . GLU 4 4 ? A 15.348 11.529 -33.243 1.000 1 A 87.410 1 ATOM 73 N N . GLU 5 5 ? A 15.422 7.392 -30.844 1.000 1 A 87.110 1 ATOM 74 C CA . GLU 5 5 ? A 15.332 6.036 -30.287 1.000 1 A 87.110 1 ATOM 75 C C . GLU 5 5 ? A 15.589 6.047 -28.774 1.000 1 A 87.110 1 ATOM 76 O O . GLU 5 5 ? A 14.914 5.350 -28.016 1.000 1 A 87.110 1 ATOM 77 C CB . GLU 5 5 ? A 16.336 5.095 -30.979 1.000 1 A 87.110 1 ATOM 78 C CG . GLU 5 5 ? A 16.096 4.931 -32.488 1.000 1 A 87.110 1 ATOM 79 C CD . GLU 5 5 ? A 17.161 4.026 -33.129 1.000 1 A 87.110 1 ATOM 80 O OE1 . GLU 5 5 ? A 16.788 2.961 -33.661 1.000 1 A 87.110 1 ATOM 81 O OE2 . GLU 5 5 ? A 18.366 4.401 -33.084 1.000 1 A 87.110 1 ATOM 82 H H . GLU 5 5 ? A 16.206 7.609 -31.443 1.000 1 A 87.110 1 ATOM 83 H HA . GLU 5 5 ? A 14.326 5.649 -30.446 1.000 1 A 87.110 1 ATOM 84 H HB2 . GLU 5 5 ? A 16.264 4.112 -30.513 1.000 1 A 87.110 1 ATOM 85 H HB3 . GLU 5 5 ? A 17.347 5.467 -30.812 1.000 1 A 87.110 1 ATOM 86 H HG2 . GLU 5 5 ? A 16.128 5.909 -32.969 1.000 1 A 87.110 1 ATOM 87 H HG3 . GLU 5 5 ? A 15.102 4.512 -32.641 1.000 1 A 87.110 1 ATOM 88 N N . VAL 6 6 ? A 16.523 6.884 -28.312 1.000 1 A 88.290 1 ATOM 89 C CA . VAL 6 6 ? A 16.855 7.018 -26.884 1.000 1 A 88.290 1 ATOM 90 C C . VAL 6 6 ? A 15.696 7.644 -26.106 1.000 1 A 88.290 1 ATOM 91 O O . VAL 6 6 ? A 15.353 7.165 -25.022 1.000 1 A 88.290 1 ATOM 92 C CB . VAL 6 6 ? A 18.151 7.831 -26.691 1.000 1 A 88.290 1 ATOM 93 C CG1 . VAL 6 6 ? A 18.535 7.940 -25.209 1.000 1 A 88.290 1 ATOM 94 C CG2 . VAL 6 6 ? A 19.330 7.186 -27.434 1.000 1 A 88.290 1 ATOM 95 H H . VAL 6 6 ? A 17.001 7.466 -28.985 1.000 1 A 88.290 1 ATOM 96 H HA . VAL 6 6 ? A 17.014 6.021 -26.473 1.000 1 A 88.290 1 ATOM 97 H HB . VAL 6 6 ? A 18.010 8.839 -27.081 1.000 1 A 88.290 1 ATOM 98 H HG11 . VAL 6 6 ? A 18.636 6.945 -24.775 1.000 1 A 88.290 1 ATOM 99 H HG12 . VAL 6 6 ? A 19.480 8.474 -25.110 1.000 1 A 88.290 1 ATOM 100 H HG13 . VAL 6 6 ? A 17.775 8.495 -24.660 1.000 1 A 88.290 1 ATOM 101 H HG21 . VAL 6 6 ? A 19.142 7.181 -28.507 1.000 1 A 88.290 1 ATOM 102 H HG22 . VAL 6 6 ? A 20.240 7.758 -27.253 1.000 1 A 88.290 1 ATOM 103 H HG23 . VAL 6 6 ? A 19.473 6.161 -27.091 1.000 1 A 88.290 1 ATOM 104 N N . ILE 7 7 ? A 15.057 8.678 -26.664 1.000 1 A 91.890 1 ATOM 105 C CA . ILE 7 7 ? A 13.890 9.328 -26.049 1.000 1 A 91.890 1 ATOM 106 C C . ILE 7 7 ? A 12.722 8.341 -25.952 1.000 1 A 91.890 1 ATOM 107 O O . ILE 7 7 ? A 12.085 8.246 -24.900 1.000 1 A 91.890 1 ATOM 108 C CB . ILE 7 7 ? A 13.504 10.605 -26.832 1.000 1 A 91.890 1 ATOM 109 C CG1 . ILE 7 7 ? A 14.617 11.670 -26.694 1.000 1 A 91.890 1 ATOM 110 C CG2 . ILE 7 7 ? A 12.165 11.182 -26.326 1.000 1 A 91.890 1 ATOM 111 C CD1 . ILE 7 7 ? A 14.482 12.840 -27.677 1.000 1 A 91.890 1 ATOM 112 H H . ILE 7 7 ? A 15.383 9.013 -27.559 1.000 1 A 91.890 1 ATOM 113 H HA . ILE 7 7 ? A 14.146 9.617 -25.030 1.000 1 A 91.890 1 ATOM 114 H HB . ILE 7 7 ? A 13.392 10.345 -27.885 1.000 1 A 91.890 1 ATOM 115 H HG12 . ILE 7 7 ? A 15.592 11.214 -26.870 1.000 1 A 91.890 1 ATOM 116 H HG13 . ILE 7 7 ? A 14.621 12.061 -25.677 1.000 1 A 91.890 1 ATOM 117 H HG21 . ILE 7 7 ? A 11.352 10.477 -26.502 1.000 1 A 91.890 1 ATOM 118 H HG22 . ILE 7 7 ? A 11.912 12.095 -26.865 1.000 1 A 91.890 1 ATOM 119 H HG23 . ILE 7 7 ? A 12.226 11.398 -25.259 1.000 1 A 91.890 1 ATOM 120 H HD11 . ILE 7 7 ? A 15.346 13.497 -27.572 1.000 1 A 91.890 1 ATOM 121 H HD12 . ILE 7 7 ? A 14.449 12.463 -28.699 1.000 1 A 91.890 1 ATOM 122 H HD13 . ILE 7 7 ? A 13.583 13.421 -27.470 1.000 1 A 91.890 1 ATOM 123 N N . LEU 8 8 ? A 12.472 7.566 -27.012 1.000 1 A 93.620 1 ATOM 124 C CA . LEU 8 8 ? A 11.410 6.562 -27.020 1.000 1 A 93.620 1 ATOM 125 C C . LEU 8 8 ? A 11.626 5.503 -25.927 1.000 1 A 93.620 1 ATOM 126 O O . LEU 8 8 ? A 10.701 5.197 -25.172 1.000 1 A 93.620 1 ATOM 127 C CB . LEU 8 8 ? A 11.341 5.936 -28.423 1.000 1 A 93.620 1 ATOM 128 C CG . LEU 8 8 ? A 10.162 4.964 -28.607 1.000 1 A 93.620 1 ATOM 129 C CD1 . LEU 8 8 ? A 8.814 5.691 -28.590 1.000 1 A 93.620 1 ATOM 130 C CD2 . LEU 8 8 ? A 10.301 4.233 -29.941 1.000 1 A 93.620 1 ATOM 131 H H . LEU 8 8 ? A 13.015 7.698 -27.853 1.000 1 A 93.620 1 ATOM 132 H HA . LEU 8 8 ? A 10.469 7.068 -26.806 1.000 1 A 93.620 1 ATOM 133 H HB2 . LEU 8 8 ? A 12.271 5.399 -28.610 1.000 1 A 93.620 1 ATOM 134 H HB3 . LEU 8 8 ? A 11.261 6.729 -29.166 1.000 1 A 93.620 1 ATOM 135 H HG . LEU 8 8 ? A 10.172 4.216 -27.814 1.000 1 A 93.620 1 ATOM 136 H HD11 . LEU 8 8 ? A 8.636 6.128 -27.608 1.000 1 A 93.620 1 ATOM 137 H HD12 . LEU 8 8 ? A 8.013 4.981 -28.798 1.000 1 A 93.620 1 ATOM 138 H HD13 . LEU 8 8 ? A 8.803 6.475 -29.347 1.000 1 A 93.620 1 ATOM 139 H HD21 . LEU 8 8 ? A 10.290 4.949 -30.763 1.000 1 A 93.620 1 ATOM 140 H HD22 . LEU 8 8 ? A 9.479 3.528 -30.065 1.000 1 A 93.620 1 ATOM 141 H HD23 . LEU 8 8 ? A 11.241 3.682 -29.962 1.000 1 A 93.620 1 ATOM 142 N N . ILE 9 9 ? A 12.854 4.992 -25.788 1.000 1 A 92.880 1 ATOM 143 C CA . ILE 9 9 ? A 13.204 4.016 -24.744 1.000 1 A 92.880 1 ATOM 144 C C . ILE 9 9 ? A 13.005 4.615 -23.343 1.000 1 A 92.880 1 ATOM 145 O O . ILE 9 9 ? A 12.432 3.957 -22.471 1.000 1 A 92.880 1 ATOM 146 C CB . ILE 9 9 ? A 14.645 3.497 -24.966 1.000 1 A 92.880 1 ATOM 147 C CG1 . ILE 9 9 ? A 14.712 2.637 -26.251 1.000 1 A 92.880 1 ATOM 148 C CG2 . ILE 9 9 ? A 15.130 2.661 -23.764 1.000 1 A 92.880 1 ATOM 149 C CD1 . ILE 9 9 ? A 16.141 2.385 -26.751 1.000 1 A 92.880 1 ATOM 150 H H . ILE 9 9 ? A 13.565 5.274 -26.447 1.000 1 A 92.880 1 ATOM 151 H HA . ILE 9 9 ? A 12.523 3.169 -24.821 1.000 1 A 92.880 1 ATOM 152 H HB . ILE 9 9 ? A 15.308 4.354 -25.078 1.000 1 A 92.880 1 ATOM 153 H HG12 . ILE 9 9 ? A 14.166 3.127 -27.057 1.000 1 A 92.880 1 ATOM 154 H HG13 . ILE 9 9 ? A 14.225 1.678 -26.073 1.000 1 A 92.880 1 ATOM 155 H HG21 . ILE 9 9 ? A 16.129 2.267 -23.950 1.000 1 A 92.880 1 ATOM 156 H HG22 . ILE 9 9 ? A 14.446 1.832 -23.582 1.000 1 A 92.880 1 ATOM 157 H HG23 . ILE 9 9 ? A 15.191 3.278 -22.867 1.000 1 A 92.880 1 ATOM 158 H HD11 . ILE 9 9 ? A 16.098 1.872 -27.712 1.000 1 A 92.880 1 ATOM 159 H HD12 . ILE 9 9 ? A 16.694 1.761 -26.049 1.000 1 A 92.880 1 ATOM 160 H HD13 . ILE 9 9 ? A 16.660 3.335 -26.884 1.000 1 A 92.880 1 ATOM 161 N N . ALA 10 10 ? A 13.417 5.866 -23.118 1.000 1 A 92.520 1 ATOM 162 C CA . ALA 10 10 ? A 13.249 6.532 -21.827 1.000 1 A 92.520 1 ATOM 163 C C . ALA 10 10 ? A 11.767 6.675 -21.427 1.000 1 A 92.520 1 ATOM 164 O O . ALA 10 10 ? A 11.409 6.408 -20.278 1.000 1 A 92.520 1 ATOM 165 C CB . ALA 10 10 ? A 13.957 7.891 -21.881 1.000 1 A 92.520 1 ATOM 166 H H . ALA 10 10 ? A 13.882 6.366 -23.863 1.000 1 A 92.520 1 ATOM 167 H HA . ALA 10 10 ? A 13.732 5.926 -21.061 1.000 1 A 92.520 1 ATOM 168 H HB1 . ALA 10 10 ? A 13.494 8.528 -22.634 1.000 1 A 92.520 1 ATOM 169 H HB2 . ALA 10 10 ? A 13.886 8.379 -20.909 1.000 1 A 92.520 1 ATOM 170 H HB3 . ALA 10 10 ? A 15.008 7.749 -22.133 1.000 1 A 92.520 1 ATOM 171 N N . LEU 11 11 ? A 10.891 7.031 -22.373 1.000 1 A 95.860 1 ATOM 172 C CA . LEU 11 11 ? A 9.449 7.145 -22.124 1.000 1 A 95.860 1 ATOM 173 C C . LEU 11 11 ? A 8.812 5.794 -21.765 1.000 1 A 95.860 1 ATOM 174 O O . LEU 11 11 ? A 7.996 5.726 -20.842 1.000 1 A 95.860 1 ATOM 175 C CB . LEU 11 11 ? A 8.766 7.762 -23.358 1.000 1 A 95.860 1 ATOM 176 C CG . LEU 11 11 ? A 9.101 9.245 -23.601 1.000 1 A 95.860 1 ATOM 177 C CD1 . LEU 11 11 ? A 8.485 9.692 -24.927 1.000 1 A 95.860 1 ATOM 178 C CD2 . LEU 11 11 ? A 8.562 10.152 -22.492 1.000 1 A 95.860 1 ATOM 179 H H . LEU 11 11 ? A 11.244 7.241 -23.296 1.000 1 A 95.860 1 ATOM 180 H HA . LEU 11 11 ? A 9.289 7.793 -21.262 1.000 1 A 95.860 1 ATOM 181 H HB2 . LEU 11 11 ? A 7.686 7.670 -23.240 1.000 1 A 95.860 1 ATOM 182 H HB3 . LEU 11 11 ? A 9.052 7.186 -24.237 1.000 1 A 95.860 1 ATOM 183 H HG . LEU 11 11 ? A 10.181 9.382 -23.657 1.000 1 A 95.860 1 ATOM 184 H HD11 . LEU 11 11 ? A 8.889 9.084 -25.737 1.000 1 A 95.860 1 ATOM 185 H HD12 . LEU 11 11 ? A 8.741 10.734 -25.119 1.000 1 A 95.860 1 ATOM 186 H HD13 . LEU 11 11 ? A 7.401 9.583 -24.898 1.000 1 A 95.860 1 ATOM 187 H HD21 . LEU 11 11 ? A 9.072 9.942 -21.552 1.000 1 A 95.860 1 ATOM 188 H HD22 . LEU 11 11 ? A 8.749 11.194 -22.751 1.000 1 A 95.860 1 ATOM 189 H HD23 . LEU 11 11 ? A 7.489 10.000 -22.370 1.000 1 A 95.860 1 ATOM 190 N N . ILE 12 12 ? A 9.222 4.714 -22.438 1.000 1 A 95.330 1 ATOM 191 C CA . ILE 12 12 ? A 8.756 3.352 -22.136 1.000 1 A 95.330 1 ATOM 192 C C . ILE 12 12 ? A 9.142 2.953 -20.703 1.000 1 A 95.330 1 ATOM 193 O O . ILE 12 12 ? A 8.304 2.435 -19.961 1.000 1 A 95.330 1 ATOM 194 C CB . ILE 12 12 ? A 9.296 2.356 -23.192 1.000 1 A 95.330 1 ATOM 195 C CG1 . ILE 12 12 ? A 8.639 2.629 -24.567 1.000 1 A 95.330 1 ATOM 196 C CG2 . ILE 12 12 ? A 9.038 0.896 -22.770 1.000 1 A 95.330 1 ATOM 197 C CD1 . ILE 12 12 ? A 9.335 1.925 -25.740 1.000 1 A 95.330 1 ATOM 198 H H . ILE 12 12 ? A 9.882 4.844 -23.191 1.000 1 A 95.330 1 ATOM 199 H HA . ILE 12 12 ? A 7.667 3.339 -22.183 1.000 1 A 95.330 1 ATOM 200 H HB . ILE 12 12 ? A 10.372 2.497 -23.285 1.000 1 A 95.330 1 ATOM 201 H HG12 . ILE 12 12 ? A 7.595 2.318 -24.538 1.000 1 A 95.330 1 ATOM 202 H HG13 . ILE 12 12 ? A 8.652 3.698 -24.777 1.000 1 A 95.330 1 ATOM 203 H HG21 . ILE 12 12 ? A 7.974 0.737 -22.595 1.000 1 A 95.330 1 ATOM 204 H HG22 . ILE 12 12 ? A 9.383 0.207 -23.540 1.000 1 A 95.330 1 ATOM 205 H HG23 . ILE 12 12 ? A 9.592 0.661 -21.861 1.000 1 A 95.330 1 ATOM 206 H HD11 . ILE 12 12 ? A 8.881 2.254 -26.674 1.000 1 A 95.330 1 ATOM 207 H HD12 . ILE 12 12 ? A 10.394 2.186 -25.754 1.000 1 A 95.330 1 ATOM 208 H HD13 . ILE 12 12 ? A 9.225 0.843 -25.666 1.000 1 A 95.330 1 ATOM 209 N N . LEU 13 13 ? A 10.377 3.239 -20.279 1.000 1 A 95.690 1 ATOM 210 C CA . LEU 13 13 ? A 10.844 2.928 -18.923 1.000 1 A 95.690 1 ATOM 211 C C . LEU 13 13 ? A 10.063 3.692 -17.842 1.000 1 A 95.690 1 ATOM 212 O O . LEU 13 13 ? A 9.704 3.103 -16.819 1.000 1 A 95.690 1 ATOM 213 C CB . LEU 13 13 ? A 12.351 3.219 -18.815 1.000 1 A 95.690 1 ATOM 214 C CG . LEU 13 13 ? A 13.252 2.261 -19.617 1.000 1 A 95.690 1 ATOM 215 C CD1 . LEU 13 13 ? A 14.702 2.738 -19.526 1.000 1 A 95.690 1 ATOM 216 C CD2 . LEU 13 13 ? A 13.187 0.824 -19.093 1.000 1 A 95.690 1 ATOM 217 H H . LEU 13 13 ? A 11.020 3.665 -20.931 1.000 1 A 95.690 1 ATOM 218 H HA . LEU 13 13 ? A 10.667 1.870 -18.727 1.000 1 A 95.690 1 ATOM 219 H HB2 . LEU 13 13 ? A 12.641 3.161 -17.766 1.000 1 A 95.690 1 ATOM 220 H HB3 . LEU 13 13 ? A 12.534 4.239 -19.151 1.000 1 A 95.690 1 ATOM 221 H HG . LEU 13 13 ? A 12.953 2.254 -20.665 1.000 1 A 95.690 1 ATOM 222 H HD11 . LEU 13 13 ? A 15.036 2.739 -18.489 1.000 1 A 95.690 1 ATOM 223 H HD12 . LEU 13 13 ? A 14.777 3.747 -19.933 1.000 1 A 95.690 1 ATOM 224 H HD13 . LEU 13 13 ? A 15.342 2.081 -20.115 1.000 1 A 95.690 1 ATOM 225 H HD21 . LEU 13 13 ? A 13.422 0.800 -18.029 1.000 1 A 95.690 1 ATOM 226 H HD22 . LEU 13 13 ? A 13.904 0.207 -19.634 1.000 1 A 95.690 1 ATOM 227 H HD23 . LEU 13 13 ? A 12.193 0.408 -19.259 1.000 1 A 95.690 1 ATOM 228 N N . ILE 14 14 ? A 9.746 4.971 -18.074 1.000 1 A 95.070 1 ATOM 229 C CA . ILE 14 14 ? A 8.926 5.777 -17.152 1.000 1 A 95.070 1 ATOM 230 C C . ILE 14 14 ? A 7.524 5.172 -17.010 1.000 1 A 95.070 1 ATOM 231 O O . ILE 14 14 ? A 7.017 5.035 -15.895 1.000 1 A 95.070 1 ATOM 232 C CB . ILE 14 14 ? A 8.867 7.249 -17.627 1.000 1 A 95.070 1 ATOM 233 C CG1 . ILE 14 14 ? A 10.258 7.910 -17.490 1.000 1 A 95.070 1 ATOM 234 C CG2 . ILE 14 14 ? A 7.826 8.059 -16.826 1.000 1 A 95.070 1 ATOM 235 C CD1 . ILE 14 14 ? A 10.389 9.238 -18.246 1.000 1 A 95.070 1 ATOM 236 H H . ILE 14 14 ? A 10.088 5.398 -18.922 1.000 1 A 95.070 1 ATOM 237 H HA . ILE 14 14 ? A 9.384 5.754 -16.164 1.000 1 A 95.070 1 ATOM 238 H HB . ILE 14 14 ? A 8.574 7.262 -18.677 1.000 1 A 95.070 1 ATOM 239 H HG12 . ILE 14 14 ? A 11.025 7.240 -17.878 1.000 1 A 95.070 1 ATOM 240 H HG13 . ILE 14 14 ? A 10.479 8.077 -16.435 1.000 1 A 95.070 1 ATOM 241 H HG21 . ILE 14 14 ? A 6.822 7.672 -17.001 1.000 1 A 95.070 1 ATOM 242 H HG22 . ILE 14 14 ? A 8.050 8.010 -15.760 1.000 1 A 95.070 1 ATOM 243 H HG23 . ILE 14 14 ? A 7.823 9.102 -17.145 1.000 1 A 95.070 1 ATOM 244 H HD11 . ILE 14 14 ? A 10.123 9.096 -19.294 1.000 1 A 95.070 1 ATOM 245 H HD12 . ILE 14 14 ? A 9.747 10.002 -17.806 1.000 1 A 95.070 1 ATOM 246 H HD13 . ILE 14 14 ? A 11.422 9.582 -18.191 1.000 1 A 95.070 1 ATOM 247 N N . TRP 15 15 ? A 6.905 4.765 -18.120 1.000 1 A 95.720 1 ATOM 248 C CA . TRP 15 15 ? A 5.567 4.175 -18.098 1.000 1 A 95.720 1 ATOM 249 C C . TRP 15 15 ? A 5.531 2.847 -17.327 1.000 1 A 95.720 1 ATOM 250 O O . TRP 15 15 ? A 4.650 2.636 -16.489 1.000 1 A 95.720 1 ATOM 251 C CB . TRP 15 15 ? A 5.076 4.019 -19.538 1.000 1 A 95.720 1 ATOM 252 C CG . TRP 15 15 ? A 3.616 3.727 -19.654 1.000 1 A 95.720 1 ATOM 253 C CD1 . TRP 15 15 ? A 2.627 4.632 -19.485 1.000 1 A 95.720 1 ATOM 254 C CD2 . TRP 15 15 ? A 2.958 2.464 -19.975 1.000 1 A 95.720 1 ATOM 255 N NE1 . TRP 15 15 ? A 1.404 4.023 -19.682 1.000 1 A 95.720 1 ATOM 256 C CE2 . TRP 15 15 ? A 1.549 2.691 -20.004 1.000 1 A 95.720 1 ATOM 257 C CE3 . TRP 15 15 ? A 3.408 1.158 -20.267 1.000 1 A 95.720 1 ATOM 258 C CZ2 . TRP 15 15 ? A 0.630 1.680 -20.324 1.000 1 A 95.720 1 ATOM 259 C CZ3 . TRP 15 15 ? A 2.495 0.134 -20.588 1.000 1 A 95.720 1 ATOM 260 C CH2 . TRP 15 15 ? A 1.111 0.393 -20.621 1.000 1 A 95.720 1 ATOM 261 H H . TRP 15 15 ? A 7.363 4.900 -19.010 1.000 1 A 95.720 1 ATOM 262 H HA . TRP 15 15 ? A 4.895 4.861 -17.583 1.000 1 A 95.720 1 ATOM 263 H HB2 . TRP 15 15 ? A 5.641 3.227 -20.031 1.000 1 A 95.720 1 ATOM 264 H HB3 . TRP 15 15 ? A 5.271 4.945 -20.078 1.000 1 A 95.720 1 ATOM 265 H HD1 . TRP 15 15 ? A 2.781 5.674 -19.248 1.000 1 A 95.720 1 ATOM 266 H HE1 . TRP 15 15 ? A 0.522 4.514 -19.635 1.000 1 A 95.720 1 ATOM 267 H HE3 . TRP 15 15 ? A 4.468 0.953 -20.258 1.000 1 A 95.720 1 ATOM 268 H HZ2 . TRP 15 15 ? A -0.429 1.891 -20.348 1.000 1 A 95.720 1 ATOM 269 H HZ3 . TRP 15 15 ? A 2.859 -0.856 -20.819 1.000 1 A 95.720 1 ATOM 270 H HH2 . TRP 15 15 ? A 0.421 -0.398 -20.876 1.000 1 A 95.720 1 ATOM 271 N N . ILE 16 16 ? A 6.540 1.991 -17.523 1.000 1 A 94.810 1 ATOM 272 C CA . ILE 16 16 ? A 6.703 0.743 -16.761 1.000 1 A 94.810 1 ATOM 273 C C . ILE 16 16 ? A 6.869 1.036 -15.262 1.000 1 A 94.810 1 ATOM 274 O O . ILE 16 16 ? A 6.231 0.379 -14.437 1.000 1 A 94.810 1 ATOM 275 C CB . ILE 16 16 ? A 7.887 -0.078 -17.328 1.000 1 A 94.810 1 ATOM 276 C CG1 . ILE 16 16 ? A 7.552 -0.585 -18.750 1.000 1 A 94.810 1 ATOM 277 C CG2 . ILE 16 16 ? A 8.226 -1.273 -16.414 1.000 1 A 94.810 1 ATOM 278 C CD1 . ILE 16 16 ? A 8.759 -1.160 -19.504 1.000 1 A 94.810 1 ATOM 279 H H . ILE 16 16 ? A 7.227 2.223 -18.226 1.000 1 A 94.810 1 ATOM 280 H HA . ILE 16 16 ? A 5.795 0.151 -16.869 1.000 1 A 94.810 1 ATOM 281 H HB . ILE 16 16 ? A 8.762 0.569 -17.383 1.000 1 A 94.810 1 ATOM 282 H HG12 . ILE 16 16 ? A 6.776 -1.348 -18.690 1.000 1 A 94.810 1 ATOM 283 H HG13 . ILE 16 16 ? A 7.154 0.233 -19.351 1.000 1 A 94.810 1 ATOM 284 H HG21 . ILE 16 16 ? A 8.566 -0.924 -15.440 1.000 1 A 94.810 1 ATOM 285 H HG22 . ILE 16 16 ? A 9.038 -1.863 -16.839 1.000 1 A 94.810 1 ATOM 286 H HG23 . ILE 16 16 ? A 7.349 -1.909 -16.285 1.000 1 A 94.810 1 ATOM 287 H HD11 . ILE 16 16 ? A 8.468 -1.373 -20.533 1.000 1 A 94.810 1 ATOM 288 H HD12 . ILE 16 16 ? A 9.572 -0.434 -19.511 1.000 1 A 94.810 1 ATOM 289 H HD13 . ILE 16 16 ? A 9.098 -2.088 -19.045 1.000 1 A 94.810 1 ATOM 290 N N . ALA 17 17 ? A 7.671 2.041 -14.893 1.000 1 A 92.880 1 ATOM 291 C CA . ALA 17 17 ? A 7.873 2.424 -13.496 1.000 1 A 92.880 1 ATOM 292 C C . ALA 17 17 ? A 6.569 2.884 -12.817 1.000 1 A 92.880 1 ATOM 293 O O . ALA 17 17 ? A 6.312 2.508 -11.672 1.000 1 A 92.880 1 ATOM 294 C CB . ALA 17 17 ? A 8.959 3.504 -13.431 1.000 1 A 92.880 1 ATOM 295 H H . ALA 17 17 ? A 8.184 2.541 -15.605 1.000 1 A 92.880 1 ATOM 296 H HA . ALA 17 17 ? A 8.231 1.551 -12.950 1.000 1 A 92.880 1 ATOM 297 H HB1 . ALA 17 17 ? A 8.629 4.407 -13.944 1.000 1 A 92.880 1 ATOM 298 H HB2 . ALA 17 17 ? A 9.173 3.746 -12.390 1.000 1 A 92.880 1 ATOM 299 H HB3 . ALA 17 17 ? A 9.871 3.139 -13.904 1.000 1 A 92.880 1 ATOM 300 N N . ILE 18 18 ? A 5.715 3.631 -13.526 1.000 1 A 92.150 1 ATOM 301 C CA . ILE 18 18 ? A 4.399 4.059 -13.023 1.000 1 A 92.150 1 ATOM 302 C C . ILE 18 18 ? A 3.497 2.845 -12.768 1.000 1 A 92.150 1 ATOM 303 O O . ILE 18 18 ? A 2.909 2.739 -11.693 1.000 1 A 92.150 1 ATOM 304 C CB . ILE 18 18 ? A 3.746 5.073 -13.993 1.000 1 A 92.150 1 ATOM 305 C CG1 . ILE 18 18 ? A 4.555 6.391 -14.012 1.000 1 A 92.150 1 ATOM 306 C CG2 . ILE 18 18 ? A 2.285 5.368 -13.593 1.000 1 A 92.150 1 ATOM 307 C CD1 . ILE 18 18 ? A 4.197 7.320 -15.178 1.000 1 A 92.150 1 ATOM 308 H H . ILE 18 18 ? A 5.998 3.922 -14.451 1.000 1 A 92.150 1 ATOM 309 H HA . ILE 18 18 ? A 4.540 4.554 -12.062 1.000 1 A 92.150 1 ATOM 310 H HB . ILE 18 18 ? A 3.746 4.645 -14.995 1.000 1 A 92.150 1 ATOM 311 H HG12 . ILE 18 18 ? A 4.404 6.924 -13.073 1.000 1 A 92.150 1 ATOM 312 H HG13 . ILE 18 18 ? A 5.620 6.172 -14.089 1.000 1 A 92.150 1 ATOM 313 H HG21 . ILE 18 18 ? A 1.845 6.104 -14.266 1.000 1 A 92.150 1 ATOM 314 H HG22 . ILE 18 18 ? A 2.244 5.746 -12.572 1.000 1 A 92.150 1 ATOM 315 H HG23 . ILE 18 18 ? A 1.676 4.467 -13.664 1.000 1 A 92.150 1 ATOM 316 H HD11 . ILE 18 18 ? A 3.178 7.694 -15.079 1.000 1 A 92.150 1 ATOM 317 H HD12 . ILE 18 18 ? A 4.301 6.786 -16.123 1.000 1 A 92.150 1 ATOM 318 H HD13 . ILE 18 18 ? A 4.878 8.171 -15.179 1.000 1 A 92.150 1 ATOM 319 N N . ILE 19 19 ? A 3.428 1.894 -13.706 1.000 1 A 90.310 1 ATOM 320 C CA . ILE 19 19 ? A 2.622 0.670 -13.547 1.000 1 A 90.310 1 ATOM 321 C C . ILE 19 19 ? A 3.122 -0.164 -12.366 1.000 1 A 90.310 1 ATOM 322 O O . ILE 19 19 ? A 2.323 -0.635 -11.551 1.000 1 A 90.310 1 ATOM 323 C CB . ILE 19 19 ? A 2.631 -0.152 -14.853 1.000 1 A 90.310 1 ATOM 324 C CG1 . ILE 19 19 ? A 1.873 0.633 -15.939 1.000 1 A 90.310 1 ATOM 325 C CG2 . ILE 19 19 ? A 1.988 -1.542 -14.656 1.000 1 A 90.310 1 ATOM 326 C CD1 . ILE 19 19 ? A 2.007 0.020 -17.328 1.000 1 A 90.310 1 ATOM 327 H H . ILE 19 19 ? A 3.937 2.034 -14.567 1.000 1 A 90.310 1 ATOM 328 H HA . ILE 19 19 ? A 1.594 0.956 -13.325 1.000 1 A 90.310 1 ATOM 329 H HB . ILE 19 19 ? A 3.663 -0.294 -15.173 1.000 1 A 90.310 1 ATOM 330 H HG12 . ILE 19 19 ? A 2.255 1.652 -16.000 1.000 1 A 90.310 1 ATOM 331 H HG13 . ILE 19 19 ? A 0.816 0.692 -15.678 1.000 1 A 90.310 1 ATOM 332 H HG21 . ILE 19 19 ? A 0.958 -1.435 -14.315 1.000 1 A 90.310 1 ATOM 333 H HG22 . ILE 19 19 ? A 2.001 -2.106 -15.589 1.000 1 A 90.310 1 ATOM 334 H HG23 . ILE 19 19 ? A 2.550 -2.131 -13.931 1.000 1 A 90.310 1 ATOM 335 H HD11 . ILE 19 19 ? A 1.510 -0.949 -17.387 1.000 1 A 90.310 1 ATOM 336 H HD12 . ILE 19 19 ? A 1.513 0.699 -18.023 1.000 1 A 90.310 1 ATOM 337 H HD13 . ILE 19 19 ? A 3.059 -0.078 -17.597 1.000 1 A 90.310 1 ATOM 338 N N . LEU 20 20 ? A 4.439 -0.330 -12.233 1.000 1 A 89.750 1 ATOM 339 C CA . LEU 20 20 ? A 5.036 -1.030 -11.097 1.000 1 A 89.750 1 ATOM 340 C C . LEU 20 20 ? A 4.700 -0.325 -9.779 1.000 1 A 89.750 1 ATOM 341 O O . LEU 20 20 ? A 4.251 -0.975 -8.840 1.000 1 A 89.750 1 ATOM 342 C CB . LEU 20 20 ? A 6.552 -1.157 -11.300 1.000 1 A 89.750 1 ATOM 343 C CG . LEU 20 20 ? A 6.958 -2.184 -12.373 1.000 1 A 89.750 1 ATOM 344 C CD1 . LEU 20 20 ? A 8.466 -2.096 -12.604 1.000 1 A 89.750 1 ATOM 345 C CD2 . LEU 20 20 ? A 6.626 -3.622 -11.959 1.000 1 A 89.750 1 ATOM 346 H H . LEU 20 20 ? A 5.047 0.063 -12.938 1.000 1 A 89.750 1 ATOM 347 H HA . LEU 20 20 ? A 4.609 -2.031 -11.030 1.000 1 A 89.750 1 ATOM 348 H HB2 . LEU 20 20 ? A 6.950 -0.179 -11.572 1.000 1 A 89.750 1 ATOM 349 H HB3 . LEU 20 20 ? A 7.011 -1.447 -10.355 1.000 1 A 89.750 1 ATOM 350 H HG . LEU 20 20 ? A 6.449 -1.967 -13.312 1.000 1 A 89.750 1 ATOM 351 H HD11 . LEU 20 20 ? A 8.759 -2.791 -13.390 1.000 1 A 89.750 1 ATOM 352 H HD12 . LEU 20 20 ? A 9.005 -2.336 -11.687 1.000 1 A 89.750 1 ATOM 353 H HD13 . LEU 20 20 ? A 8.727 -1.086 -12.922 1.000 1 A 89.750 1 ATOM 354 H HD21 . LEU 20 20 ? A 7.072 -3.845 -10.989 1.000 1 A 89.750 1 ATOM 355 H HD22 . LEU 20 20 ? A 5.546 -3.761 -11.907 1.000 1 A 89.750 1 ATOM 356 H HD23 . LEU 20 20 ? A 7.020 -4.315 -12.703 1.000 1 A 89.750 1 ATOM 357 N N . TYR 21 21 ? A 4.817 1.001 -9.715 1.000 1 A 85.530 1 ATOM 358 C CA . TYR 21 21 ? A 4.450 1.763 -8.524 1.000 1 A 85.530 1 ATOM 359 C C . TYR 21 21 ? A 2.963 1.615 -8.175 1.000 1 A 85.530 1 ATOM 360 O O . TYR 21 21 ? A 2.625 1.337 -7.025 1.000 1 A 85.530 1 ATOM 361 C CB . TYR 21 21 ? A 4.825 3.231 -8.729 1.000 1 A 85.530 1 ATOM 362 C CG . TYR 21 21 ? A 4.536 4.084 -7.513 1.000 1 A 85.530 1 ATOM 363 C CD1 . TYR 21 21 ? A 3.352 4.844 -7.444 1.000 1 A 85.530 1 ATOM 364 C CD2 . TYR 21 21 ? A 5.450 4.098 -6.442 1.000 1 A 85.530 1 ATOM 365 C CE1 . TYR 21 21 ? A 3.092 5.635 -6.309 1.000 1 A 85.530 1 ATOM 366 C CE2 . TYR 21 21 ? A 5.199 4.895 -5.312 1.000 1 A 85.530 1 ATOM 367 C CZ . TYR 21 21 ? A 4.024 5.673 -5.252 1.000 1 A 85.530 1 ATOM 368 O OH . TYR 21 21 ? A 3.785 6.453 -4.168 1.000 1 A 85.530 1 ATOM 369 H H . TYR 21 21 ? A 5.190 1.498 -10.511 1.000 1 A 85.530 1 ATOM 370 H HA . TYR 21 21 ? A 5.021 1.381 -7.679 1.000 1 A 85.530 1 ATOM 371 H HB2 . TYR 21 21 ? A 4.285 3.633 -9.586 1.000 1 A 85.530 1 ATOM 372 H HB3 . TYR 21 21 ? A 5.890 3.294 -8.953 1.000 1 A 85.530 1 ATOM 373 H HD1 . TYR 21 21 ? A 2.656 4.832 -8.269 1.000 1 A 85.530 1 ATOM 374 H HD2 . TYR 21 21 ? A 6.354 3.511 -6.500 1.000 1 A 85.530 1 ATOM 375 H HE1 . TYR 21 21 ? A 2.199 6.240 -6.254 1.000 1 A 85.530 1 ATOM 376 H HE2 . TYR 21 21 ? A 5.912 4.917 -4.500 1.000 1 A 85.530 1 ATOM 377 H HH . TYR 21 21 ? A 4.562 6.530 -3.609 1.000 1 A 85.530 1 ATOM 378 N N . SER 22 22 ? A 2.062 1.731 -9.154 1.000 1 A 81.110 1 ATOM 379 C CA . SER 22 22 ? A 0.622 1.563 -8.936 1.000 1 A 81.110 1 ATOM 380 C C . SER 22 22 ? A 0.268 0.144 -8.490 1.000 1 A 81.110 1 ATOM 381 O O . SER 22 22 ? A -0.509 -0.021 -7.554 1.000 1 A 81.110 1 ATOM 382 C CB . SER 22 22 ? A -0.158 1.908 -10.207 1.000 1 A 81.110 1 ATOM 383 O OG . SER 22 22 ? A 0.042 3.260 -10.565 1.000 1 A 81.110 1 ATOM 384 H H . SER 22 22 ? A 2.379 1.997 -10.076 1.000 1 A 81.110 1 ATOM 385 H HA . SER 22 22 ? A 0.306 2.241 -8.143 1.000 1 A 81.110 1 ATOM 386 H HB2 . SER 22 22 ? A 0.173 1.268 -11.025 1.000 1 A 81.110 1 ATOM 387 H HB3 . SER 22 22 ? A -1.221 1.739 -10.034 1.000 1 A 81.110 1 ATOM 388 H HG . SER 22 22 ? A -0.151 3.830 -9.816 1.000 1 A 81.110 1 ATOM 389 N N . THR 23 23 ? A 0.856 -0.888 -9.098 1.000 1 A 79.550 1 ATOM 390 C CA . THR 23 23 ? A 0.619 -2.289 -8.703 1.000 1 A 79.550 1 ATOM 391 C C . THR 23 23 ? A 1.176 -2.598 -7.317 1.000 1 A 79.550 1 ATOM 392 O O . THR 23 23 ? A 0.529 -3.306 -6.543 1.000 1 A 79.550 1 ATOM 393 C CB . THR 23 23 ? A 1.195 -3.291 -9.710 1.000 1 A 79.550 1 ATOM 394 O OG1 . THR 23 23 ? A 2.551 -3.053 -9.961 1.000 1 A 79.550 1 ATOM 395 C CG2 . THR 23 23 ? A 0.464 -3.265 -11.049 1.000 1 A 79.550 1 ATOM 396 H H . THR 23 23 ? A 1.499 -0.696 -9.854 1.000 1 A 79.550 1 ATOM 397 H HA . THR 23 23 ? A -0.457 -2.458 -8.652 1.000 1 A 79.550 1 ATOM 398 H HB . THR 23 23 ? A 1.096 -4.293 -9.294 1.000 1 A 79.550 1 ATOM 399 H HG1 . THR 23 23 ? A 2.606 -2.259 -10.498 1.000 1 A 79.550 1 ATOM 400 H HG21 . THR 23 23 ? A -0.557 -3.622 -10.910 1.000 1 A 79.550 1 ATOM 401 H HG22 . THR 23 23 ? A 0.971 -3.920 -11.758 1.000 1 A 79.550 1 ATOM 402 H HG23 . THR 23 23 ? A 0.423 -2.255 -11.459 1.000 1 A 79.550 1 ATOM 403 N N . ILE 24 24 ? A 2.326 -2.023 -6.962 1.000 1 A 75.120 1 ATOM 404 C CA . ILE 24 24 ? A 2.890 -2.105 -5.616 1.000 1 A 75.120 1 ATOM 405 C C . ILE 24 24 ? A 1.981 -1.383 -4.620 1.000 1 A 75.120 1 ATOM 406 O O . ILE 24 24 ? A 1.658 -1.971 -3.602 1.000 1 A 75.120 1 ATOM 407 C CB . ILE 24 24 ? A 4.342 -1.583 -5.604 1.000 1 A 75.120 1 ATOM 408 C CG1 . ILE 24 24 ? A 5.271 -2.569 -6.348 1.000 1 A 75.120 1 ATOM 409 C CG2 . ILE 24 24 ? A 4.848 -1.413 -4.167 1.000 1 A 75.120 1 ATOM 410 C CD1 . ILE 24 24 ? A 6.651 -1.979 -6.669 1.000 1 A 75.120 1 ATOM 411 H H . ILE 24 24 ? A 2.846 -1.519 -7.666 1.000 1 A 75.120 1 ATOM 412 H HA . ILE 24 24 ? A 2.913 -3.152 -5.314 1.000 1 A 75.120 1 ATOM 413 H HB . ILE 24 24 ? A 4.373 -0.612 -6.098 1.000 1 A 75.120 1 ATOM 414 H HG12 . ILE 24 24 ? A 4.814 -2.874 -7.290 1.000 1 A 75.120 1 ATOM 415 H HG13 . ILE 24 24 ? A 5.402 -3.471 -5.750 1.000 1 A 75.120 1 ATOM 416 H HG21 . ILE 24 24 ? A 5.891 -1.097 -4.154 1.000 1 A 75.120 1 ATOM 417 H HG22 . ILE 24 24 ? A 4.275 -0.632 -3.669 1.000 1 A 75.120 1 ATOM 418 H HG23 . ILE 24 24 ? A 4.750 -2.358 -3.632 1.000 1 A 75.120 1 ATOM 419 H HD11 . ILE 24 24 ? A 7.229 -1.823 -5.759 1.000 1 A 75.120 1 ATOM 420 H HD12 . ILE 24 24 ? A 6.539 -1.031 -7.196 1.000 1 A 75.120 1 ATOM 421 H HD13 . ILE 24 24 ? A 7.196 -2.673 -7.308 1.000 1 A 75.120 1 ATOM 422 N N . GLN 25 25 ? A 1.480 -0.181 -4.910 1.000 1 A 61.290 1 ATOM 423 C CA . GLN 25 25 ? A 0.532 0.517 -4.028 1.000 1 A 61.290 1 ATOM 424 C C . GLN 25 25 ? A -0.807 -0.223 -3.885 1.000 1 A 61.290 1 ATOM 425 O O . GLN 25 25 ? A -1.426 -0.180 -2.826 1.000 1 A 61.290 1 ATOM 426 C CB . GLN 25 25 ? A 0.295 1.946 -4.542 1.000 1 A 61.290 1 ATOM 427 C CG . GLN 25 25 ? A 1.490 2.896 -4.340 1.000 1 A 61.290 1 ATOM 428 C CD . GLN 25 25 ? A 1.718 3.300 -2.886 1.000 1 A 61.290 1 ATOM 429 O OE1 . GLN 25 25 ? A 1.251 2.693 -1.939 1.000 1 A 61.290 1 ATOM 430 N NE2 . GLN 25 25 ? A 2.437 4.368 -2.636 1.000 1 A 61.290 1 ATOM 431 H H . GLN 25 25 ? A 1.792 0.284 -5.750 1.000 1 A 61.290 1 ATOM 432 H HA . GLN 25 25 ? A 0.962 0.562 -3.027 1.000 1 A 61.290 1 ATOM 433 H HB2 . GLN 25 25 ? A 0.056 1.903 -5.604 1.000 1 A 61.290 1 ATOM 434 H HB3 . GLN 25 25 ? A -0.566 2.374 -4.029 1.000 1 A 61.290 1 ATOM 435 H HG2 . GLN 25 25 ? A 1.301 3.800 -4.918 1.000 1 A 61.290 1 ATOM 436 H HG3 . GLN 25 25 ? A 2.407 2.446 -4.720 1.000 1 A 61.290 1 ATOM 437 H HE21 . GLN 25 25 ? A 2.533 4.612 -1.660 1.000 1 A 61.290 1 ATOM 438 H HE22 . GLN 25 25 ? A 2.785 4.951 -3.383 1.000 1 A 61.290 1 ATOM 439 N N . ILE 26 26 ? A -1.249 -0.954 -4.913 1.000 1 A 57.500 1 ATOM 440 C CA . ILE 26 26 ? A -2.424 -1.836 -4.825 1.000 1 A 57.500 1 ATOM 441 C C . ILE 26 26 ? A -2.126 -3.055 -3.936 1.000 1 A 57.500 1 ATOM 442 O O . ILE 26 26 ? A -3.002 -3.476 -3.186 1.000 1 A 57.500 1 ATOM 443 C CB . ILE 26 26 ? A -2.907 -2.232 -6.240 1.000 1 A 57.500 1 ATOM 444 C CG1 . ILE 26 26 ? A -3.464 -1.000 -6.993 1.000 1 A 57.500 1 ATOM 445 C CG2 . ILE 26 26 ? A -4.005 -3.312 -6.180 1.000 1 A 57.500 1 ATOM 446 C CD1 . ILE 26 26 ? A -3.517 -1.190 -8.516 1.000 1 A 57.500 1 ATOM 447 H H . ILE 26 26 ? A -0.757 -0.885 -5.792 1.000 1 A 57.500 1 ATOM 448 H HA . ILE 26 26 ? A -3.232 -1.291 -4.338 1.000 1 A 57.500 1 ATOM 449 H HB . ILE 26 26 ? A -2.059 -2.634 -6.794 1.000 1 A 57.500 1 ATOM 450 H HG12 . ILE 26 26 ? A -4.467 -0.776 -6.629 1.000 1 A 57.500 1 ATOM 451 H HG13 . ILE 26 26 ? A -2.855 -0.119 -6.788 1.000 1 A 57.500 1 ATOM 452 H HG21 . ILE 26 26 ? A -4.378 -3.539 -7.179 1.000 1 A 57.500 1 ATOM 453 H HG22 . ILE 26 26 ? A -3.606 -4.238 -5.766 1.000 1 A 57.500 1 ATOM 454 H HG23 . ILE 26 26 ? A -4.833 -2.975 -5.557 1.000 1 A 57.500 1 ATOM 455 H HD11 . ILE 26 26 ? A -2.527 -1.438 -8.899 1.000 1 A 57.500 1 ATOM 456 H HD12 . ILE 26 26 ? A -3.849 -0.262 -8.981 1.000 1 A 57.500 1 ATOM 457 H HD13 . ILE 26 26 ? A -4.218 -1.981 -8.783 1.000 1 A 57.500 1 ATOM 458 N N . LYS 27 27 ? A -0.898 -3.592 -3.972 1.000 1 A 55.830 1 ATOM 459 C CA . LYS 27 27 ? A -0.456 -4.690 -3.091 1.000 1 A 55.830 1 ATOM 460 C C . LYS 27 27 ? A -0.111 -4.242 -1.663 1.000 1 A 55.830 1 ATOM 461 O O . LYS 27 27 ? A -0.234 -5.046 -0.746 1.000 1 A 55.830 1 ATOM 462 C CB . LYS 27 27 ? A 0.746 -5.414 -3.720 1.000 1 A 55.830 1 ATOM 463 C CG . LYS 27 27 ? A 0.340 -6.358 -4.862 1.000 1 A 55.830 1 ATOM 464 C CD . LYS 27 27 ? A 1.568 -7.121 -5.381 1.000 1 A 55.830 1 ATOM 465 C CE . LYS 27 27 ? A 1.154 -8.157 -6.433 1.000 1 A 55.830 1 ATOM 466 N NZ . LYS 27 27 ? A 2.317 -8.953 -6.903 1.000 1 A 55.830 1 ATOM 467 H H . LYS 27 27 ? A -0.240 -3.216 -4.639 1.000 1 A 55.830 1 ATOM 468 H HA . LYS 27 27 ? A -1.274 -5.400 -2.971 1.000 1 A 55.830 1 ATOM 469 H HB2 . LYS 27 27 ? A 1.471 -4.683 -4.080 1.000 1 A 55.830 1 ATOM 470 H HB3 . LYS 27 27 ? A 1.229 -6.012 -2.947 1.000 1 A 55.830 1 ATOM 471 H HG2 . LYS 27 27 ? A -0.109 -5.787 -5.675 1.000 1 A 55.830 1 ATOM 472 H HG3 . LYS 27 27 ? A -0.392 -7.072 -4.486 1.000 1 A 55.830 1 ATOM 473 H HD2 . LYS 27 27 ? A 2.267 -6.408 -5.818 1.000 1 A 55.830 1 ATOM 474 H HD3 . LYS 27 27 ? A 2.050 -7.627 -4.545 1.000 1 A 55.830 1 ATOM 475 H HE2 . LYS 27 27 ? A 0.689 -7.634 -7.269 1.000 1 A 55.830 1 ATOM 476 H HE3 . LYS 27 27 ? A 0.404 -8.814 -5.993 1.000 1 A 55.830 1 ATOM 477 H HZ1 . LYS 27 27 ? A 3.006 -8.350 -7.329 1.000 1 A 55.830 1 ATOM 478 H HZ2 . LYS 27 27 ? A 2.750 -9.440 -6.132 1.000 1 A 55.830 1 ATOM 479 H HZ3 . LYS 27 27 ? A 2.026 -9.634 -7.589 1.000 1 A 55.830 1 ATOM 480 N N . ILE 28 28 ? A 0.342 -3.000 -1.484 1.000 1 A 54.300 1 ATOM 481 C CA . ILE 28 28 ? A 0.738 -2.394 -0.201 1.000 1 A 54.300 1 ATOM 482 C C . ILE 28 28 ? A -0.423 -1.642 0.444 1.000 1 A 54.300 1 ATOM 483 O O . ILE 28 28 ? A -0.365 -1.388 1.648 1.000 1 A 54.300 1 ATOM 484 C CB . ILE 28 28 ? A 1.996 -1.496 -0.344 1.000 1 A 54.300 1 ATOM 485 C CG1 . ILE 28 28 ? A 3.209 -2.353 -0.768 1.000 1 A 54.300 1 ATOM 486 C CG2 . ILE 28 28 ? A 2.345 -0.751 0.967 1.000 1 A 54.300 1 ATOM 487 C CD1 . ILE 28 28 ? A 4.509 -1.553 -0.921 1.000 1 A 54.300 1 ATOM 488 H H . ILE 28 28 ? A 0.510 -2.459 -2.321 1.000 1 A 54.300 1 ATOM 489 H HA . ILE 28 28 ? A 0.990 -3.196 0.492 1.000 1 A 54.300 1 ATOM 490 H HB . ILE 28 28 ? A 1.807 -0.748 -1.114 1.000 1 A 54.300 1 ATOM 491 H HG12 . ILE 28 28 ? A 3.373 -3.136 -0.027 1.000 1 A 54.300 1 ATOM 492 H HG13 . ILE 28 28 ? A 3.003 -2.845 -1.718 1.000 1 A 54.300 1 ATOM 493 H HG21 . ILE 28 28 ? A 3.257 -0.164 0.866 1.000 1 A 54.300 1 ATOM 494 H HG22 . ILE 28 28 ? A 1.573 -0.020 1.207 1.000 1 A 54.300 1 ATOM 495 H HG23 . ILE 28 28 ? A 2.454 -1.457 1.790 1.000 1 A 54.300 1 ATOM 496 H HD11 . ILE 28 28 ? A 5.250 -2.159 -1.443 1.000 1 A 54.300 1 ATOM 497 H HD12 . ILE 28 28 ? A 4.926 -1.319 0.059 1.000 1 A 54.300 1 ATOM 498 H HD13 . ILE 28 28 ? A 4.327 -0.625 -1.463 1.000 1 A 54.300 1 ATOM 499 N N . LYS 29 29 ? A -1.521 -1.358 -0.281 1.000 1 A 45.060 1 ATOM 500 C CA . LYS 29 29 ? A -2.800 -1.112 0.387 1.000 1 A 45.060 1 ATOM 501 C C . LYS 29 29 ? A -2.942 -2.264 1.372 1.000 1 A 45.060 1 ATOM 502 O O . LYS 29 29 ? A -2.968 -3.410 0.911 1.000 1 A 45.060 1 ATOM 503 C CB . LYS 29 29 ? A -3.993 -1.073 -0.586 1.000 1 A 45.060 1 ATOM 504 C CG . LYS 29 29 ? A -4.474 0.369 -0.780 1.000 1 A 45.060 1 ATOM 505 C CD . LYS 29 29 ? A -5.727 0.420 -1.660 1.000 1 A 45.060 1 ATOM 506 C CE . LYS 29 29 ? A -6.177 1.876 -1.822 1.000 1 A 45.060 1 ATOM 507 N NZ . LYS 29 29 ? A -7.393 1.979 -2.666 1.000 1 A 45.060 1 ATOM 508 H H . LYS 29 29 ? A -1.506 -1.501 -1.280 1.000 1 A 45.060 1 ATOM 509 H HA . LYS 29 29 ? A -2.716 -0.167 0.923 1.000 1 A 45.060 1 ATOM 510 H HB2 . LYS 29 29 ? A -4.816 -1.657 -0.174 1.000 1 A 45.060 1 ATOM 511 H HB3 . LYS 29 29 ? A -3.714 -1.508 -1.545 1.000 1 A 45.060 1 ATOM 512 H HG2 . LYS 29 29 ? A -4.706 0.803 0.192 1.000 1 A 45.060 1 ATOM 513 H HG3 . LYS 29 29 ? A -3.678 0.950 -1.247 1.000 1 A 45.060 1 ATOM 514 H HD2 . LYS 29 29 ? A -5.494 -0.010 -2.634 1.000 1 A 45.060 1 ATOM 515 H HD3 . LYS 29 29 ? A -6.518 -0.164 -1.189 1.000 1 A 45.060 1 ATOM 516 H HE2 . LYS 29 29 ? A -6.367 2.291 -0.832 1.000 1 A 45.060 1 ATOM 517 H HE3 . LYS 29 29 ? A -5.359 2.441 -2.268 1.000 1 A 45.060 1 ATOM 518 H HZ1 . LYS 29 29 ? A -7.214 1.597 -3.584 1.000 1 A 45.060 1 ATOM 519 H HZ2 . LYS 29 29 ? A -8.154 1.462 -2.250 1.000 1 A 45.060 1 ATOM 520 H HZ3 . LYS 29 29 ? A -7.674 2.943 -2.768 1.000 1 A 45.060 1 ATOM 521 N N . PRO 30 30 ? A -2.939 -1.993 2.696 1.000 1 A 45.850 1 ATOM 522 C CA . PRO 30 30 ? A -3.161 -3.056 3.650 1.000 1 A 45.850 1 ATOM 523 C C . PRO 30 30 ? A -4.434 -3.691 3.142 1.000 1 A 45.850 1 ATOM 524 O O . PRO 30 30 ? A -5.373 -2.943 2.849 1.000 1 A 45.850 1 ATOM 525 C CB . PRO 30 30 ? A -3.315 -2.385 5.020 1.000 1 A 45.850 1 ATOM 526 C CG . PRO 30 30 ? A -3.748 -0.957 4.684 1.000 1 A 45.850 1 ATOM 527 C CD . PRO 30 30 ? A -3.089 -0.693 3.333 1.000 1 A 45.850 1 ATOM 528 H HA . PRO 30 30 ? A -2.337 -3.769 3.648 1.000 1 A 45.850 1 ATOM 529 H HB2 . PRO 30 30 ? A -4.047 -2.895 5.646 1.000 1 A 45.850 1 ATOM 530 H HB3 . PRO 30 30 ? A -2.344 -2.359 5.514 1.000 1 A 45.850 1 ATOM 531 H HG2 . PRO 30 30 ? A -3.415 -0.246 5.440 1.000 1 A 45.850 1 ATOM 532 H HG3 . PRO 30 30 ? A -4.832 -0.918 4.577 1.000 1 A 45.850 1 ATOM 533 H HD2 . PRO 30 30 ? A -3.725 -0.025 2.751 1.000 1 A 45.850 1 ATOM 534 H HD3 . PRO 30 30 ? A -2.104 -0.250 3.480 1.000 1 A 45.850 1 ATOM 535 N N . PHE 31 31 ? A -4.403 -5.010 2.902 1.000 1 A 45.170 1 ATOM 536 C CA . PHE 31 31 ? A -5.605 -5.815 2.749 1.000 1 A 45.170 1 ATOM 537 C C . PHE 31 31 ? A -6.567 -5.180 3.729 1.000 1 A 45.170 1 ATOM 538 O O . PHE 31 31 ? A -6.288 -5.233 4.930 1.000 1 A 45.170 1 ATOM 539 C CB . PHE 31 31 ? A -5.302 -7.273 3.151 1.000 1 A 45.170 1 ATOM 540 C CG . PHE 31 31 ? A -5.597 -8.293 2.080 1.000 1 A 45.170 1 ATOM 541 C CD1 . PHE 31 31 ? A -6.821 -8.987 2.084 1.000 1 A 45.170 1 ATOM 542 C CD2 . PHE 31 31 ? A -4.628 -8.576 1.100 1.000 1 A 45.170 1 ATOM 543 C CE1 . PHE 31 31 ? A -7.069 -9.976 1.117 1.000 1 A 45.170 1 ATOM 544 C CE2 . PHE 31 31 ? A -4.878 -9.566 0.134 1.000 1 A 45.170 1 ATOM 545 C CZ . PHE 31 31 ? A -6.095 -10.270 0.147 1.000 1 A 45.170 1 ATOM 546 H H . PHE 31 31 ? A -3.521 -5.491 3.004 1.000 1 A 45.170 1 ATOM 547 H HA . PHE 31 31 ? A -5.987 -5.753 1.730 1.000 1 A 45.170 1 ATOM 548 H HB2 . PHE 31 31 ? A -5.877 -7.549 4.035 1.000 1 A 45.170 1 ATOM 549 H HB3 . PHE 31 31 ? A -4.255 -7.374 3.437 1.000 1 A 45.170 1 ATOM 550 H HD1 . PHE 31 31 ? A -7.567 -8.772 2.835 1.000 1 A 45.170 1 ATOM 551 H HD2 . PHE 31 31 ? A -3.690 -8.042 1.092 1.000 1 A 45.170 1 ATOM 552 H HE1 . PHE 31 31 ? A -8.005 -10.516 1.123 1.000 1 A 45.170 1 ATOM 553 H HE2 . PHE 31 31 ? A -4.133 -9.789 -0.615 1.000 1 A 45.170 1 ATOM 554 H HZ . PHE 31 31 ? A -6.283 -11.036 -0.592 1.000 1 A 45.170 1 ATOM 555 N N . SER 32 32 ? A -7.524 -4.395 3.218 1.000 1 A 41.920 1 ATOM 556 C CA . SER 32 32 ? A -8.462 -3.664 4.049 1.000 1 A 41.920 1 ATOM 557 C C . SER 32 32 ? A -9.121 -4.808 4.744 1.000 1 A 41.920 1 ATOM 558 O O . SER 32 32 ? A -9.772 -5.608 4.065 1.000 1 A 41.920 1 ATOM 559 C CB . SER 32 32 ? A -9.455 -2.862 3.210 1.000 1 A 41.920 1 ATOM 560 O OG . SER 32 32 ? A -9.962 -3.654 2.151 1.000 1 A 41.920 1 ATOM 561 H H . SER 32 32 ? A -7.605 -4.295 2.216 1.000 1 A 41.920 1 ATOM 562 H HA . SER 32 32 ? A -7.940 -3.017 4.754 1.000 1 A 41.920 1 ATOM 563 H HB2 . SER 32 32 ? A -10.272 -2.521 3.846 1.000 1 A 41.920 1 ATOM 564 H HB3 . SER 32 32 ? A -8.946 -1.995 2.789 1.000 1 A 41.920 1 ATOM 565 H HG . SER 32 32 ? A -10.181 -4.510 2.527 1.000 1 A 41.920 1 ATOM 566 N N . SER 33 33 ? A -8.695 -5.031 5.981 1.000 1 A 38.850 1 ATOM 567 C CA . SER 33 33 ? A -8.765 -6.346 6.549 1.000 1 A 38.850 1 ATOM 568 C C . SER 33 33 ? A -10.248 -6.601 6.566 1.000 1 A 38.850 1 ATOM 569 O O . SER 33 33 ? A -11.005 -5.901 7.230 1.000 1 A 38.850 1 ATOM 570 C CB . SER 33 33 ? A -8.060 -6.387 7.910 1.000 1 A 38.850 1 ATOM 571 O OG . SER 33 33 ? A -8.497 -5.341 8.758 1.000 1 A 38.850 1 ATOM 572 H H . SER 33 33 ? A -8.103 -4.358 6.446 1.000 1 A 38.850 1 ATOM 573 H HA . SER 33 33 ? A -8.279 -7.058 5.882 1.000 1 A 38.850 1 ATOM 574 H HB2 . SER 33 33 ? A -6.988 -6.275 7.749 1.000 1 A 38.850 1 ATOM 575 H HB3 . SER 33 33 ? A -8.233 -7.358 8.373 1.000 1 A 38.850 1 ATOM 576 H HG . SER 33 33 ? A -8.417 -5.602 9.678 1.000 1 A 38.850 1 ATOM 577 N N . SER 34 34 ? A -10.691 -7.573 5.777 1.000 1 A 41.660 1 ATOM 578 C CA . SER 34 34 ? A -12.032 -8.114 5.877 1.000 1 A 41.660 1 ATOM 579 C C . SER 34 34 ? A -12.109 -8.930 7.168 1.000 1 A 41.660 1 ATOM 580 O O . SER 34 34 ? A -12.669 -10.017 7.221 1.000 1 A 41.660 1 ATOM 581 C CB . SER 34 34 ? A -12.386 -8.900 4.614 1.000 1 A 41.660 1 ATOM 582 O OG . SER 34 34 ? A -11.340 -9.797 4.290 1.000 1 A 41.660 1 ATOM 583 H H . SER 34 34 ? A -10.059 -8.035 5.139 1.000 1 A 41.660 1 ATOM 584 H HA . SER 34 34 ? A -12.743 -7.292 5.972 1.000 1 A 41.660 1 ATOM 585 H HB2 . SER 34 34 ? A -12.525 -8.204 3.787 1.000 1 A 41.660 1 ATOM 586 H HB3 . SER 34 34 ? A -13.316 -9.448 4.769 1.000 1 A 41.660 1 ATOM 587 H HG . SER 34 34 ? A -11.658 -10.397 3.611 1.000 1 A 41.660 1 ATOM 588 N N . VAL 35 35 ? A -11.530 -8.398 8.249 1.000 1 A 40.020 1 ATOM 589 C CA . VAL 35 35 ? A -12.016 -8.626 9.586 1.000 1 A 40.020 1 ATOM 590 C C . VAL 35 35 ? A -13.437 -8.111 9.512 1.000 1 A 40.020 1 ATOM 591 O O . VAL 35 35 ? A -13.680 -6.912 9.393 1.000 1 A 40.020 1 ATOM 592 C CB . VAL 35 35 ? A -11.174 -7.858 10.619 1.000 1 A 40.020 1 ATOM 593 C CG1 . VAL 35 35 ? A -11.769 -8.000 12.024 1.000 1 A 40.020 1 ATOM 594 C CG2 . VAL 35 35 ? A -9.745 -8.414 10.671 1.000 1 A 40.020 1 ATOM 595 H H . VAL 35 35 ? A -11.146 -7.473 8.117 1.000 1 A 40.020 1 ATOM 596 H HA . VAL 35 35 ? A -12.006 -9.690 9.819 1.000 1 A 40.020 1 ATOM 597 H HB . VAL 35 35 ? A -11.131 -6.803 10.348 1.000 1 A 40.020 1 ATOM 598 H HG11 . VAL 35 35 ? A -11.817 -9.049 12.316 1.000 1 A 40.020 1 ATOM 599 H HG12 . VAL 35 35 ? A -12.772 -7.573 12.055 1.000 1 A 40.020 1 ATOM 600 H HG13 . VAL 35 35 ? A -11.152 -7.457 12.740 1.000 1 A 40.020 1 ATOM 601 H HG21 . VAL 35 35 ? A -9.331 -8.504 9.666 1.000 1 A 40.020 1 ATOM 602 H HG22 . VAL 35 35 ? A -9.750 -9.408 11.118 1.000 1 A 40.020 1 ATOM 603 H HG23 . VAL 35 35 ? A -9.116 -7.755 11.269 1.000 1 A 40.020 1 ATOM 604 N N . SER 36 36 ? A -14.372 -9.056 9.462 1.000 1 A 38.900 1 ATOM 605 C CA . SER 36 36 ? A -15.789 -8.774 9.581 1.000 1 A 38.900 1 ATOM 606 C C . SER 36 36 ? A -15.943 -7.867 10.796 1.000 1 A 38.900 1 ATOM 607 O O . SER 36 36 ? A -15.760 -8.319 11.925 1.000 1 A 38.900 1 ATOM 608 C CB . SER 36 36 ? A -16.540 -10.098 9.759 1.000 1 A 38.900 1 ATOM 609 O OG . SER 36 36 ? A -17.926 -9.928 9.556 1.000 1 A 38.900 1 ATOM 610 H H . SER 36 36 ? A -14.068 -10.015 9.378 1.000 1 A 38.900 1 ATOM 611 H HA . SER 36 36 ? A -16.142 -8.270 8.682 1.000 1 A 38.900 1 ATOM 612 H HB2 . SER 36 36 ? A -16.354 -10.511 10.750 1.000 1 A 38.900 1 ATOM 613 H HB3 . SER 36 36 ? A -16.180 -10.811 9.017 1.000 1 A 38.900 1 ATOM 614 H HG . SER 36 36 ? A -18.267 -9.276 10.174 1.000 1 A 38.900 1 ATOM 615 N N . HIS 37 37 ? A -16.200 -6.580 10.563 1.000 1 A 39.440 1 ATOM 616 C CA . HIS 37 37 ? A -16.444 -5.627 11.631 1.000 1 A 39.440 1 ATOM 617 C C . HIS 37 37 ? A -17.706 -6.096 12.352 1.000 1 A 39.440 1 ATOM 618 O O . HIS 37 37 ? A -18.822 -5.863 11.892 1.000 1 A 39.440 1 ATOM 619 C CB . HIS 37 37 ? A -16.602 -4.208 11.061 1.000 1 A 39.440 1 ATOM 620 C CG . HIS 37 37 ? A -15.316 -3.578 10.583 1.000 1 A 39.440 1 ATOM 621 N ND1 . HIS 37 37 ? A -14.441 -2.847 11.356 1.000 1 A 39.440 1 ATOM 622 C CD2 . HIS 37 37 ? A -14.831 -3.559 9.302 1.000 1 A 39.440 1 ATOM 623 C CE1 . HIS 37 37 ? A -13.454 -2.402 10.559 1.000 1 A 39.440 1 ATOM 624 N NE2 . HIS 37 37 ? A -13.658 -2.797 9.296 1.000 1 A 39.440 1 ATOM 625 H H . HIS 37 37 ? A -16.151 -6.240 9.613 1.000 1 A 39.440 1 ATOM 626 H HA . HIS 37 37 ? A -15.608 -5.636 12.330 1.000 1 A 39.440 1 ATOM 627 H HB2 . HIS 37 37 ? A -17.014 -3.568 11.841 1.000 1 A 39.440 1 ATOM 628 H HB3 . HIS 37 37 ? A -17.319 -4.221 10.240 1.000 1 A 39.440 1 ATOM 629 H HD1 . HIS 37 37 ? A -14.517 -2.680 12.349 1.000 1 A 39.440 1 ATOM 630 H HD2 . HIS 37 37 ? A -15.283 -4.028 8.441 1.000 1 A 39.440 1 ATOM 631 H HE1 . HIS 37 37 ? A -12.613 -1.806 10.882 1.000 1 A 39.440 1 ATOM 632 N N . LYS 38 38 ? A -17.545 -6.828 13.454 1.000 1 A 40.320 1 ATOM 633 C CA . LYS 38 38 ? A -18.656 -7.163 14.333 1.000 1 A 40.320 1 ATOM 634 C C . LYS 38 38 ? A -18.808 -6.006 15.298 1.000 1 A 40.320 1 ATOM 635 O O . LYS 38 38 ? A -18.073 -5.897 16.270 1.000 1 A 40.320 1 ATOM 636 C CB . LYS 38 38 ? A -18.436 -8.507 15.039 1.000 1 A 40.320 1 ATOM 637 C CG . LYS 38 38 ? A -18.717 -9.685 14.095 1.000 1 A 40.320 1 ATOM 638 C CD . LYS 38 38 ? A -18.661 -11.004 14.873 1.000 1 A 40.320 1 ATOM 639 C CE . LYS 38 38 ? A -18.998 -12.188 13.961 1.000 1 A 40.320 1 ATOM 640 N NZ . LYS 38 38 ? A -18.958 -13.468 14.713 1.000 1 A 40.320 1 ATOM 641 H H . LYS 38 38 ? A -16.610 -7.105 13.716 1.000 1 A 40.320 1 ATOM 642 H HA . LYS 38 38 ? A -19.581 -7.232 13.762 1.000 1 A 40.320 1 ATOM 643 H HB2 . LYS 38 38 ? A -17.417 -8.566 15.424 1.000 1 A 40.320 1 ATOM 644 H HB3 . LYS 38 38 ? A -19.123 -8.567 15.882 1.000 1 A 40.320 1 ATOM 645 H HG2 . LYS 38 38 ? A -19.711 -9.572 13.660 1.000 1 A 40.320 1 ATOM 646 H HG3 . LYS 38 38 ? A -17.978 -9.700 13.294 1.000 1 A 40.320 1 ATOM 647 H HD2 . LYS 38 38 ? A -19.378 -10.964 15.694 1.000 1 A 40.320 1 ATOM 648 H HD3 . LYS 38 38 ? A -17.660 -11.128 15.286 1.000 1 A 40.320 1 ATOM 649 H HE2 . LYS 38 38 ? A -19.989 -12.030 13.536 1.000 1 A 40.320 1 ATOM 650 H HE3 . LYS 38 38 ? A -18.280 -12.209 13.141 1.000 1 A 40.320 1 ATOM 651 H HZ1 . LYS 38 38 ? A -19.627 -13.455 15.470 1.000 1 A 40.320 1 ATOM 652 H HZ2 . LYS 38 38 ? A -18.041 -13.612 15.111 1.000 1 A 40.320 1 ATOM 653 H HZ3 . LYS 38 38 ? A -19.171 -14.247 14.108 1.000 1 A 40.320 1 ATOM 654 N N . CYS 39 39 ? A -19.760 -5.133 15.008 1.000 1 A 38.860 1 ATOM 655 C CA . CYS 39 39 ? A -20.269 -4.236 16.026 1.000 1 A 38.860 1 ATOM 656 C C . CYS 39 39 ? A -21.225 -5.049 16.902 1.000 1 A 38.860 1 ATOM 657 O O . CYS 39 39 ? A -22.332 -5.379 16.482 1.000 1 A 38.860 1 ATOM 658 C CB . CYS 39 39 ? A -20.925 -3.032 15.358 1.000 1 A 38.860 1 ATOM 659 S SG . CYS 39 39 ? A -20.812 -1.524 16.340 1.000 1 A 38.860 1 ATOM 660 H H . CYS 39 39 ? A -20.291 -5.253 14.157 1.000 1 A 38.860 1 ATOM 661 H HA . CYS 39 39 ? A -19.442 -3.875 16.637 1.000 1 A 38.860 1 ATOM 662 H HB2 . CYS 39 39 ? A -21.971 -3.246 15.138 1.000 1 A 38.860 1 ATOM 663 H HB3 . CYS 39 39 ? A -20.418 -2.832 14.414 1.000 1 A 38.860 1 ATOM 664 N N . GLY 40 40 ? A -20.768 -5.458 18.083 1.000 1 A 40.290 1 ATOM 665 C CA . GLY 40 40 ? A -21.627 -6.090 19.075 1.000 1 A 40.290 1 ATOM 666 C C . GLY 40 40 ? A -22.292 -5.019 19.931 1.000 1 A 40.290 1 ATOM 667 O O . GLY 40 40 ? A -21.618 -4.363 20.720 1.000 1 A 40.290 1 ATOM 668 H H . GLY 40 40 ? A -19.823 -5.225 18.351 1.000 1 A 40.290 1 ATOM 669 H HA2 . GLY 40 40 ? A -21.025 -6.723 19.727 1.000 1 A 40.290 1 ATOM 670 H HA3 . GLY 40 40 ? A -22.387 -6.708 18.596 1.000 1 A 40.290 1 ATOM 671 N N . CYS 41 41 ? A -23.607 -4.841 19.812 1.000 1 A 39.770 1 ATOM 672 C CA . CYS 41 41 ? A -24.375 -4.136 20.836 1.000 1 A 39.770 1 ATOM 673 C C . CYS 41 41 ? A -24.674 -5.126 21.965 1.000 1 A 39.770 1 ATOM 674 O O . CYS 41 41 ? A -25.654 -5.866 21.919 1.000 1 A 39.770 1 ATOM 675 C CB . CYS 41 41 ? A -25.638 -3.506 20.234 1.000 1 A 39.770 1 ATOM 676 S SG . CYS 41 41 ? A -25.176 -2.172 19.090 1.000 1 A 39.770 1 ATOM 677 H H . CYS 41 41 ? A -24.109 -5.341 19.093 1.000 1 A 39.770 1 ATOM 678 H HA . CYS 41 41 ? A -23.774 -3.331 21.258 1.000 1 A 39.770 1 ATOM 679 H HB2 . CYS 41 41 ? A -26.251 -3.096 21.037 1.000 1 A 39.770 1 ATOM 680 H HB3 . CYS 41 41 ? A -26.225 -4.262 19.712 1.000 1 A 39.770 1 ATOM 681 H HG . CYS 41 41 ? A -24.223 -1.622 19.847 1.000 1 A 39.770 1 ATOM 682 N N . GLY 42 42 ? A -23.796 -5.178 22.965 1.000 1 A 41.710 1 ATOM 683 C CA . GLY 42 42 ? A -24.050 -5.942 24.179 1.000 1 A 41.710 1 ATOM 684 C C . GLY 42 42 ? A -25.092 -5.230 25.038 1.000 1 A 41.710 1 ATOM 685 O O . GLY 42 42 ? A -24.778 -4.232 25.684 1.000 1 A 41.710 1 ATOM 686 H H . GLY 42 42 ? A -22.958 -4.617 22.912 1.000 1 A 41.710 1 ATOM 687 H HA2 . GLY 42 42 ? A -23.129 -6.032 24.754 1.000 1 A 41.710 1 ATOM 688 H HA3 . GLY 42 42 ? A -24.399 -6.944 23.928 1.000 1 A 41.710 1 ATOM 689 N N . HIS 43 43 ? A -26.321 -5.748 25.084 1.000 1 A 39.240 1 ATOM 690 C CA . HIS 43 43 ? A -27.230 -5.457 26.191 1.000 1 A 39.240 1 ATOM 691 C C . HIS 43 43 ? A -26.704 -6.208 27.413 1.000 1 A 39.240 1 ATOM 692 O O . HIS 43 43 ? A -27.115 -7.335 27.683 1.000 1 A 39.240 1 ATOM 693 C CB . HIS 43 43 ? A -28.675 -5.863 25.854 1.000 1 A 39.240 1 ATOM 694 C CG . HIS 43 43 ? A -29.353 -4.940 24.880 1.000 1 A 39.240 1 ATOM 695 N ND1 . HIS 43 43 ? A -30.084 -3.818 25.202 1.000 1 A 39.240 1 ATOM 696 C CD2 . HIS 43 43 ? A -29.378 -5.061 23.517 1.000 1 A 39.240 1 ATOM 697 C CE1 . HIS 43 43 ? A -30.538 -3.277 24.060 1.000 1 A 39.240 1 ATOM 698 N NE2 . HIS 43 43 ? A -30.132 -3.999 23.006 1.000 1 A 39.240 1 ATOM 699 H H . HIS 43 43 ? A -26.543 -6.517 24.469 1.000 1 A 39.240 1 ATOM 700 H HA . HIS 43 43 ? A -27.217 -4.390 26.412 1.000 1 A 39.240 1 ATOM 701 H HB2 . HIS 43 43 ? A -28.688 -6.878 25.457 1.000 1 A 39.240 1 ATOM 702 H HB3 . HIS 43 43 ? A -29.260 -5.862 26.774 1.000 1 A 39.240 1 ATOM 703 H HD1 . HIS 43 43 ? A -30.265 -3.473 26.134 1.000 1 A 39.240 1 ATOM 704 H HD2 . HIS 43 43 ? A -28.901 -5.838 22.938 1.000 1 A 39.240 1 ATOM 705 H HE1 . HIS 43 43 ? A -31.150 -2.390 23.992 1.000 1 A 39.240 1 ATOM 706 N N . HIS 44 44 ? A -25.768 -5.612 28.152 1.000 1 A 42.210 1 ATOM 707 C CA . HIS 44 44 ? A -25.541 -6.084 29.508 1.000 1 A 42.210 1 ATOM 708 C C . HIS 44 44 ? A -26.802 -5.751 30.300 1.000 1 A 42.210 1 ATOM 709 O O . HIS 44 44 ? A -27.032 -4.601 30.676 1.000 1 A 42.210 1 ATOM 710 C CB . HIS 44 44 ? A -24.253 -5.517 30.117 1.000 1 A 42.210 1 ATOM 711 C CG . HIS 44 44 ? A -23.074 -6.415 29.841 1.000 1 A 42.210 1 ATOM 712 N ND1 . HIS 44 44 ? A -22.774 -7.583 30.510 1.000 1 A 42.210 1 ATOM 713 C CD2 . HIS 44 44 ? A -22.142 -6.269 28.849 1.000 1 A 42.210 1 ATOM 714 C CE1 . HIS 44 44 ? A -21.684 -8.122 29.939 1.000 1 A 42.210 1 ATOM 715 N NE2 . HIS 44 44 ? A -21.264 -7.352 28.927 1.000 1 A 42.210 1 ATOM 716 H H . HIS 44 44 ? A -25.387 -4.726 27.855 1.000 1 A 42.210 1 ATOM 717 H HA . HIS 44 44 ? A -25.438 -7.169 29.497 1.000 1 A 42.210 1 ATOM 718 H HB2 . HIS 44 44 ? A -24.370 -5.450 31.198 1.000 1 A 42.210 1 ATOM 719 H HB3 . HIS 44 44 ? A -24.062 -4.513 29.737 1.000 1 A 42.210 1 ATOM 720 H HD1 . HIS 44 44 ? A -23.273 -7.969 31.298 1.000 1 A 42.210 1 ATOM 721 H HD2 . HIS 44 44 ? A -22.102 -5.471 28.122 1.000 1 A 42.210 1 ATOM 722 H HE1 . HIS 44 44 ? A -21.205 -9.040 30.247 1.000 1 A 42.210 1 ATOM 723 N N . ALA 45 45 ? A -27.633 -6.772 30.514 1.000 1 A 35.240 1 ATOM 724 C CA . ALA 45 45 ? A -28.605 -6.799 31.588 1.000 1 A 35.240 1 ATOM 725 C C . ALA 45 45 ? A -27.811 -6.725 32.897 1.000 1 A 35.240 1 ATOM 726 O O . ALA 45 45 ? A -27.488 -7.736 33.515 1.000 1 A 35.240 1 ATOM 727 C CB . ALA 45 45 ? A -29.465 -8.065 31.457 1.000 1 A 35.240 1 ATOM 728 H H . ALA 45 45 ? A -27.450 -7.641 30.031 1.000 1 A 35.240 1 ATOM 729 H HA . ALA 45 45 ? A -29.253 -5.925 31.524 1.000 1 A 35.240 1 ATOM 730 H HB1 . ALA 45 45 ? A -30.008 -8.050 30.512 1.000 1 A 35.240 1 ATOM 731 H HB2 . ALA 45 45 ? A -28.837 -8.955 31.499 1.000 1 A 35.240 1 ATOM 732 H HB3 . ALA 45 45 ? A -30.181 -8.104 32.278 1.000 1 A 35.240 1 ATOM 733 N N . SER 46 46 ? A -27.389 -5.514 33.265 1.000 1 A 37.590 1 ATOM 734 C CA . SER 46 46 ? A -27.012 -5.254 34.639 1.000 1 A 37.590 1 ATOM 735 C C . SER 46 46 ? A -28.264 -5.499 35.469 1.000 1 A 37.590 1 ATOM 736 O O . SER 46 46 ? A -29.328 -4.957 35.167 1.000 1 A 37.590 1 ATOM 737 C CB . SER 46 46 ? A -26.498 -3.827 34.843 1.000 1 A 37.590 1 ATOM 738 O OG . SER 46 46 ? A -26.045 -3.752 36.178 1.000 1 A 37.590 1 ATOM 739 H H . SER 46 46 ? A -27.585 -4.733 32.656 1.000 1 A 37.590 1 ATOM 740 H HA . SER 46 46 ? A -26.230 -5.952 34.939 1.000 1 A 37.590 1 ATOM 741 H HB2 . SER 46 46 ? A -27.301 -3.109 34.677 1.000 1 A 37.590 1 ATOM 742 H HB3 . SER 46 46 ? A -25.672 -3.626 34.161 1.000 1 A 37.590 1 ATOM 743 H HG . SER 46 46 ? A -25.837 -2.850 36.430 1.000 1 A 37.590 1 ATOM 744 N N . ASN 47 47 ? A -28.136 -6.314 36.513 1.000 1 A 44.890 1 ATOM 745 C CA . ASN 47 47 ? A -29.169 -6.455 37.537 1.000 1 A 44.890 1 ATOM 746 C C . ASN 47 47 ? A -29.430 -5.128 38.282 1.000 1 A 44.890 1 ATOM 747 O O . ASN 47 47 ? A -30.353 -5.047 39.086 1.000 1 A 44.890 1 ATOM 748 C CB . ASN 47 47 ? A -28.776 -7.599 38.490 1.000 1 A 44.890 1 ATOM 749 C CG . ASN 47 47 ? A -29.112 -8.980 37.955 1.000 1 A 44.890 1 ATOM 750 O OD1 . ASN 47 47 ? A -29.899 -9.173 37.047 1.000 1 A 44.890 1 ATOM 751 N ND2 . ASN 47 47 ? A -28.543 -10.012 38.534 1.000 1 A 44.890 1 ATOM 752 H H . ASN 47 47 ? A -27.243 -6.760 36.664 1.000 1 A 44.890 1 ATOM 753 H HA . ASN 47 47 ? A -30.111 -6.706 37.050 1.000 1 A 44.890 1 ATOM 754 H HB2 . ASN 47 47 ? A -27.714 -7.539 38.728 1.000 1 A 44.890 1 ATOM 755 H HB3 . ASN 47 47 ? A -29.331 -7.486 39.422 1.000 1 A 44.890 1 ATOM 756 H HD21 . ASN 47 47 ? A -28.803 -10.917 38.167 1.000 1 A 44.890 1 ATOM 757 H HD22 . ASN 47 47 ? A -27.912 -9.885 39.312 1.000 1 A 44.890 1 ATOM 758 N N . GLU 48 48 ? A -28.664 -4.073 37.997 1.000 1 A 43.410 1 ATOM 759 C CA . GLU 48 48 ? A -29.025 -2.695 38.305 1.000 1 A 43.410 1 ATOM 760 C C . GLU 48 48 ? A -29.817 -2.100 37.140 1.000 1 A 43.410 1 ATOM 761 O O . GLU 48 48 ? A -29.244 -1.728 36.121 1.000 1 A 43.410 1 ATOM 762 C CB . GLU 48 48 ? A -27.768 -1.869 38.598 1.000 1 A 43.410 1 ATOM 763 C CG . GLU 48 48 ? A -27.161 -2.254 39.951 1.000 1 A 43.410 1 ATOM 764 C CD . GLU 48 48 ? A -25.766 -1.657 40.135 1.000 1 A 43.410 1 ATOM 765 O OE1 . GLU 48 48 ? A -25.555 -0.979 41.165 1.000 1 A 43.410 1 ATOM 766 O OE2 . GLU 48 48 ? A -24.927 -1.870 39.228 1.000 1 A 43.410 1 ATOM 767 H H . GLU 48 48 ? A -27.884 -4.201 37.368 1.000 1 A 43.410 1 ATOM 768 H HA . GLU 48 48 ? A -29.651 -2.669 39.196 1.000 1 A 43.410 1 ATOM 769 H HB2 . GLU 48 48 ? A -28.035 -0.813 38.633 1.000 1 A 43.410 1 ATOM 770 H HB3 . GLU 48 48 ? A -27.046 -2.010 37.794 1.000 1 A 43.410 1 ATOM 771 H HG2 . GLU 48 48 ? A -27.830 -1.918 40.743 1.000 1 A 43.410 1 ATOM 772 H HG3 . GLU 48 48 ? A -27.078 -3.339 40.022 1.000 1 A 43.410 1 ATOM 773 N N . SER 49 49 ? A -31.137 -2.030 37.330 1.000 1 A 39.770 1 ATOM 774 C CA . SER 49 49 ? A -32.103 -1.094 36.733 1.000 1 A 39.770 1 ATOM 775 C C . SER 49 49 ? A -31.789 -0.579 35.315 1.000 1 A 39.770 1 ATOM 776 O O . SER 49 49 ? A -30.838 0.187 35.150 1.000 1 A 39.770 1 ATOM 777 C CB . SER 49 49 ? A -32.241 0.106 37.674 1.000 1 A 39.770 1 ATOM 778 O OG . SER 49 49 ? A -32.575 -0.346 38.973 1.000 1 A 39.770 1 ATOM 779 H H . SER 49 49 ? A -31.473 -2.500 38.158 1.000 1 A 39.770 1 ATOM 780 H HA . SER 49 49 ? A -33.065 -1.607 36.733 1.000 1 A 39.770 1 ATOM 781 H HB2 . SER 49 49 ? A -31.293 0.643 37.712 1.000 1 A 39.770 1 ATOM 782 H HB3 . SER 49 49 ? A -33.018 0.775 37.306 1.000 1 A 39.770 1 ATOM 783 H HG . SER 49 49 ? A -32.267 0.288 39.626 1.000 1 A 39.770 1 ATOM 784 N N . PRO 50 50 ? A -32.631 -0.856 34.297 1.000 1 A 46.960 1 ATOM 785 C CA . PRO 50 50 ? A -32.376 -0.469 32.910 1.000 1 A 46.960 1 ATOM 786 C C . PRO 50 50 ? A -32.267 1.055 32.788 1.000 1 A 46.960 1 ATOM 787 O O . PRO 50 50 ? A -33.266 1.760 32.671 1.000 1 A 46.960 1 ATOM 788 C CB . PRO 50 50 ? A -33.544 -1.053 32.100 1.000 1 A 46.960 1 ATOM 789 C CG . PRO 50 50 ? A -34.685 -1.120 33.114 1.000 1 A 46.960 1 ATOM 790 C CD . PRO 50 50 ? A -33.959 -1.437 34.419 1.000 1 A 46.960 1 ATOM 791 H HA . PRO 50 50 ? A -31.444 -0.920 32.568 1.000 1 A 46.960 1 ATOM 792 H HB2 . PRO 50 50 ? A -33.803 -0.442 31.236 1.000 1 A 46.960 1 ATOM 793 H HB3 . PRO 50 50 ? A -33.289 -2.064 31.780 1.000 1 A 46.960 1 ATOM 794 H HG2 . PRO 50 50 ? A -35.171 -0.147 33.191 1.000 1 A 46.960 1 ATOM 795 H HG3 . PRO 50 50 ? A -35.411 -1.891 32.858 1.000 1 A 46.960 1 ATOM 796 H HD2 . PRO 50 50 ? A -33.871 -2.517 34.539 1.000 1 A 46.960 1 ATOM 797 H HD3 . PRO 50 50 ? A -34.512 -1.008 35.255 1.000 1 A 46.960 1 ATOM 798 N N . ARG 51 51 ? A -31.039 1.584 32.828 1.000 1 A 43.960 1 ATOM 799 C CA . ARG 51 51 ? A -30.767 2.973 32.472 1.000 1 A 43.960 1 ATOM 800 C C . ARG 51 51 ? A -30.740 3.048 30.947 1.000 1 A 43.960 1 ATOM 801 O O . ARG 51 51 ? A -29.817 2.498 30.341 1.000 1 A 43.960 1 ATOM 802 C CB . ARG 51 51 ? A -29.471 3.498 33.106 1.000 1 A 43.960 1 ATOM 803 C CG . ARG 51 51 ? A -29.717 3.991 34.539 1.000 1 A 43.960 1 ATOM 804 C CD . ARG 51 51 ? A -28.466 4.694 35.079 1.000 1 A 43.960 1 ATOM 805 N NE . ARG 51 51 ? A -28.719 5.313 36.395 1.000 1 A 43.960 1 ATOM 806 C CZ . ARG 51 51 ? A -27.996 6.255 36.973 1.000 1 A 43.960 1 ATOM 807 N NH1 . ARG 51 51 ? A -26.922 6.742 36.415 1.000 1 A 43.960 1 ATOM 808 N NH2 . ARG 51 51 ? A -28.338 6.730 38.138 1.000 1 A 43.960 1 ATOM 809 H H . ARG 51 51 ? A -30.280 0.975 33.097 1.000 1 A 43.960 1 ATOM 810 H HA . ARG 51 51 ? A -31.590 3.578 32.851 1.000 1 A 43.960 1 ATOM 811 H HB2 . ARG 51 51 ? A -29.118 4.340 32.511 1.000 1 A 43.960 1 ATOM 812 H HB3 . ARG 51 51 ? A -28.705 2.723 33.096 1.000 1 A 43.960 1 ATOM 813 H HG2 . ARG 51 51 ? A -30.544 4.700 34.538 1.000 1 A 43.960 1 ATOM 814 H HG3 . ARG 51 51 ? A -29.972 3.146 35.178 1.000 1 A 43.960 1 ATOM 815 H HD2 . ARG 51 51 ? A -28.174 5.464 34.365 1.000 1 A 43.960 1 ATOM 816 H HD3 . ARG 51 51 ? A -27.662 3.963 35.165 1.000 1 A 43.960 1 ATOM 817 H HE . ARG 51 51 ? A -29.507 4.954 36.914 1.000 1 A 43.960 1 ATOM 818 H HH11 . ARG 51 51 ? A -26.377 7.452 36.883 1.000 1 A 43.960 1 ATOM 819 H HH12 . ARG 51 51 ? A -26.616 6.343 35.539 1.000 1 A 43.960 1 ATOM 820 H HH21 . ARG 51 51 ? A -27.771 7.427 38.597 1.000 1 A 43.960 1 ATOM 821 H HH22 . ARG 51 51 ? A -29.143 6.353 38.618 1.000 1 A 43.960 1 ATOM 822 N N . PRO 52 52 ? A -31.722 3.708 30.309 1.000 1 A 46.430 1 ATOM 823 C CA . PRO 52 52 ? A -31.668 3.944 28.877 1.000 1 A 46.430 1 ATOM 824 C C . PRO 52 52 ? A -30.416 4.774 28.570 1.000 1 A 46.430 1 ATOM 825 O O . PRO 52 52 ? A -30.221 5.840 29.151 1.000 1 A 46.430 1 ATOM 826 C CB . PRO 52 52 ? A -32.978 4.663 28.531 1.000 1 A 46.430 1 ATOM 827 C CG . PRO 52 52 ? A -33.396 5.337 29.837 1.000 1 A 46.430 1 ATOM 828 C CD . PRO 52 52 ? A -32.859 4.397 30.906 1.000 1 A 46.430 1 ATOM 829 H HA . PRO 52 52 ? A -31.621 2.997 28.340 1.000 1 A 46.430 1 ATOM 830 H HB2 . PRO 52 52 ? A -33.730 3.924 28.252 1.000 1 A 46.430 1 ATOM 831 H HB3 . PRO 52 52 ? A -32.849 5.387 27.726 1.000 1 A 46.430 1 ATOM 832 H HG2 . PRO 52 52 ? A -32.901 6.305 29.924 1.000 1 A 46.430 1 ATOM 833 H HG3 . PRO 52 52 ? A -34.477 5.454 29.906 1.000 1 A 46.430 1 ATOM 834 H HD2 . PRO 52 52 ? A -33.631 3.673 31.165 1.000 1 A 46.430 1 ATOM 835 H HD3 . PRO 52 52 ? A -32.575 4.986 31.779 1.000 1 A 46.430 1 ATOM 836 N N . GLY 53 53 ? A -29.549 4.277 27.684 1.000 1 A 44.950 1 ATOM 837 C CA . GLY 53 53 ? A -28.480 5.096 27.102 1.000 1 A 44.950 1 ATOM 838 C C . GLY 53 53 ? A -27.048 4.568 27.180 1.000 1 A 44.950 1 ATOM 839 O O . GLY 53 53 ? A -26.163 5.225 26.641 1.000 1 A 44.950 1 ATOM 840 H H . GLY 53 53 ? A -29.740 3.372 27.279 1.000 1 A 44.950 1 ATOM 841 H HA2 . GLY 53 53 ? A -28.710 5.237 26.046 1.000 1 A 44.950 1 ATOM 842 H HA3 . GLY 53 53 ? A -28.474 6.085 27.561 1.000 1 A 44.950 1 ATOM 843 N N . PHE 54 54 ? A -26.773 3.401 27.765 1.000 1 A 43.310 1 ATOM 844 C CA . PHE 54 54 ? A -25.415 2.842 27.724 1.000 1 A 43.310 1 ATOM 845 C C . PHE 54 54 ? A -25.228 1.915 26.520 1.000 1 A 43.310 1 ATOM 846 O O . PHE 54 54 ? A -25.447 0.712 26.596 1.000 1 A 43.310 1 ATOM 847 C CB . PHE 54 54 ? A -25.038 2.220 29.070 1.000 1 A 43.310 1 ATOM 848 C CG . PHE 54 54 ? A -24.759 3.281 30.118 1.000 1 A 43.310 1 ATOM 849 C CD1 . PHE 54 54 ? A -23.494 3.900 30.177 1.000 1 A 43.310 1 ATOM 850 C CD2 . PHE 54 54 ? A -25.778 3.690 30.997 1.000 1 A 43.310 1 ATOM 851 C CE1 . PHE 54 54 ? A -23.247 4.915 31.118 1.000 1 A 43.310 1 ATOM 852 C CE2 . PHE 54 54 ? A -25.531 4.707 31.937 1.000 1 A 43.310 1 ATOM 853 C CZ . PHE 54 54 ? A -24.265 5.318 31.999 1.000 1 A 43.310 1 ATOM 854 H H . PHE 54 54 ? A -27.508 2.879 28.220 1.000 1 A 43.310 1 ATOM 855 H HA . PHE 54 54 ? A -24.701 3.653 27.582 1.000 1 A 43.310 1 ATOM 856 H HB2 . PHE 54 54 ? A -25.832 1.554 29.407 1.000 1 A 43.310 1 ATOM 857 H HB3 . PHE 54 54 ? A -24.135 1.621 28.945 1.000 1 A 43.310 1 ATOM 858 H HD1 . PHE 54 54 ? A -22.712 3.596 29.497 1.000 1 A 43.310 1 ATOM 859 H HD2 . PHE 54 54 ? A -26.752 3.228 30.945 1.000 1 A 43.310 1 ATOM 860 H HE1 . PHE 54 54 ? A -22.275 5.385 31.161 1.000 1 A 43.310 1 ATOM 861 H HE2 . PHE 54 54 ? A -26.320 5.021 32.604 1.000 1 A 43.310 1 ATOM 862 H HZ . PHE 54 54 ? A -24.074 6.102 32.717 1.000 1 A 43.310 1 ATOM 863 N N . HIS 55 55 ? A -24.792 2.492 25.400 1.000 1 A 47.850 1 ATOM 864 C CA . HIS 55 55 ? A -24.260 1.734 24.269 1.000 1 A 47.850 1 ATOM 865 C C . HIS 55 55 ? A -22.739 1.674 24.418 1.000 1 A 47.850 1 ATOM 866 O O . HIS 55 55 ? A -22.049 2.667 24.186 1.000 1 A 47.850 1 ATOM 867 C CB . HIS 55 55 ? A -24.682 2.376 22.937 1.000 1 A 47.850 1 ATOM 868 C CG . HIS 55 55 ? A -26.171 2.360 22.699 1.000 1 A 47.850 1 ATOM 869 N ND1 . HIS 55 55 ? A -26.850 1.586 21.782 1.000 1 A 47.850 1 ATOM 870 C CD2 . HIS 55 55 ? A -27.103 3.137 23.333 1.000 1 A 47.850 1 ATOM 871 C CE1 . HIS 55 55 ? A -28.157 1.890 21.866 1.000 1 A 47.850 1 ATOM 872 N NE2 . HIS 55 55 ? A -28.358 2.828 22.806 1.000 1 A 47.850 1 ATOM 873 H H . HIS 55 55 ? A -24.682 3.496 25.393 1.000 1 A 47.850 1 ATOM 874 H HA . HIS 55 55 ? A -24.652 0.717 24.283 1.000 1 A 47.850 1 ATOM 875 H HB2 . HIS 55 55 ? A -24.337 3.410 22.907 1.000 1 A 47.850 1 ATOM 876 H HB3 . HIS 55 55 ? A -24.197 1.839 22.122 1.000 1 A 47.850 1 ATOM 877 H HD1 . HIS 55 55 ? A -26.451 0.923 21.133 1.000 1 A 47.850 1 ATOM 878 H HD2 . HIS 55 55 ? A -26.902 3.870 24.100 1.000 1 A 47.850 1 ATOM 879 H HE1 . HIS 55 55 ? A -28.935 1.459 21.254 1.000 1 A 47.850 1 ATOM 880 N N . ARG 56 56 ? A -22.198 0.521 24.820 1.000 1 A 43.870 1 ATOM 881 C CA . ARG 56 56 ? A -20.752 0.285 24.758 1.000 1 A 43.870 1 ATOM 882 C C . ARG 56 56 ? A -20.436 -0.328 23.399 1.000 1 A 43.870 1 ATOM 883 O O . ARG 56 56 ? A -20.985 -1.363 23.048 1.000 1 A 43.870 1 ATOM 884 C CB . ARG 56 56 ? A -20.292 -0.571 25.949 1.000 1 A 43.870 1 ATOM 885 C CG . ARG 56 56 ? A -18.770 -0.494 26.150 1.000 1 A 43.870 1 ATOM 886 C CD . ARG 56 56 ? A -18.358 -1.277 27.402 1.000 1 A 43.870 1 ATOM 887 N NE . ARG 56 56 ? A -16.915 -1.151 27.682 1.000 1 A 43.870 1 ATOM 888 C CZ . ARG 56 56 ? A -16.244 -1.844 28.588 1.000 1 A 43.870 1 ATOM 889 N NH1 . ARG 56 56 ? A -16.829 -2.698 29.379 1.000 1 A 43.870 1 ATOM 890 N NH2 . ARG 56 56 ? A -14.955 -1.700 28.711 1.000 1 A 43.870 1 ATOM 891 H H . ARG 56 56 ? A -22.806 -0.260 25.018 1.000 1 A 43.870 1 ATOM 892 H HA . ARG 56 56 ? A -20.238 1.244 24.825 1.000 1 A 43.870 1 ATOM 893 H HB2 . ARG 56 56 ? A -20.594 -1.608 25.797 1.000 1 A 43.870 1 ATOM 894 H HB3 . ARG 56 56 ? A -20.776 -0.201 26.852 1.000 1 A 43.870 1 ATOM 895 H HG2 . ARG 56 56 ? A -18.475 0.549 26.269 1.000 1 A 43.870 1 ATOM 896 H HG3 . ARG 56 56 ? A -18.263 -0.913 25.281 1.000 1 A 43.870 1 ATOM 897 H HD2 . ARG 56 56 ? A -18.606 -2.327 27.244 1.000 1 A 43.870 1 ATOM 898 H HD3 . ARG 56 56 ? A -18.924 -0.908 28.257 1.000 1 A 43.870 1 ATOM 899 H HE . ARG 56 56 ? A -16.369 -0.577 27.055 1.000 1 A 43.870 1 ATOM 900 H HH11 . ARG 56 56 ? A -16.267 -3.351 29.906 1.000 1 A 43.870 1 ATOM 901 H HH12 . ARG 56 56 ? A -17.778 -2.966 29.163 1.000 1 A 43.870 1 ATOM 902 H HH21 . ARG 56 56 ? A -14.456 -2.345 29.306 1.000 1 A 43.870 1 ATOM 903 H HH22 . ARG 56 56 ? A -14.438 -1.179 28.017 1.000 1 A 43.870 1 ATOM 904 N N . CYS 57 57 ? A -19.580 0.334 22.628 1.000 1 A 42.110 1 ATOM 905 C CA . CYS 57 57 ? A -18.966 -0.270 21.451 1.000 1 A 42.110 1 ATOM 906 C C . CYS 57 57 ? A -17.678 -0.937 21.921 1.000 1 A 42.110 1 ATOM 907 O O . CYS 57 57 ? A -16.737 -0.247 22.316 1.000 1 A 42.110 1 ATOM 908 C CB . CYS 57 57 ? A -18.707 0.797 20.381 1.000 1 A 42.110 1 ATOM 909 S SG . CYS 57 57 ? A -20.284 1.448 19.761 1.000 1 A 42.110 1 ATOM 910 H H . CYS 57 57 ? A -19.180 1.193 22.976 1.000 1 A 42.110 1 ATOM 911 H HA . CYS 57 57 ? A -19.616 -1.034 21.025 1.000 1 A 42.110 1 ATOM 912 H HB2 . CYS 57 57 ? A -18.156 0.349 19.555 1.000 1 A 42.110 1 ATOM 913 H HB3 . CYS 57 57 ? A -18.104 1.602 20.802 1.000 1 A 42.110 1 ATOM 914 H HG . CYS 57 57 ? A -20.858 1.631 20.953 1.000 1 A 42.110 1 ATOM 915 N N . GLU 58 58 ? A -17.660 -2.261 21.941 1.000 1 A 43.060 1 ATOM 916 C CA . GLU 58 58 ? A -16.459 -3.023 22.255 1.000 1 A 43.060 1 ATOM 917 C C . GLU 58 58 ? A -15.742 -3.347 20.941 1.000 1 A 43.060 1 ATOM 918 O O . GLU 58 58 ? A -16.347 -3.863 20.001 1.000 1 A 43.060 1 ATOM 919 C CB . GLU 58 58 ? A -16.845 -4.231 23.121 1.000 1 A 43.060 1 ATOM 920 C CG . GLU 58 58 ? A -15.706 -4.706 24.038 1.000 1 A 43.060 1 ATOM 921 C CD . GLU 58 58 ? A -16.253 -5.386 25.305 1.000 1 A 43.060 1 ATOM 922 O OE1 . GLU 58 58 ? A -15.685 -5.111 26.389 1.000 1 A 43.060 1 ATOM 923 O OE2 . GLU 58 58 ? A -17.299 -6.063 25.207 1.000 1 A 43.060 1 ATOM 924 H H . GLU 58 58 ? A -18.466 -2.783 21.630 1.000 1 A 43.060 1 ATOM 925 H HA . GLU 58 58 ? A -15.796 -2.398 22.853 1.000 1 A 43.060 1 ATOM 926 H HB2 . GLU 58 58 ? A -17.196 -5.051 22.494 1.000 1 A 43.060 1 ATOM 927 H HB3 . GLU 58 58 ? A -17.670 -3.916 23.760 1.000 1 A 43.060 1 ATOM 928 H HG2 . GLU 58 58 ? A -15.059 -5.387 23.486 1.000 1 A 43.060 1 ATOM 929 H HG3 . GLU 58 58 ? A -15.109 -3.844 24.336 1.000 1 A 43.060 1 ATOM 930 N N . TYR 59 59 ? A -14.475 -2.943 20.844 1.000 1 A 39.640 1 ATOM 931 C CA . TYR 59 59 ? A -13.620 -3.234 19.697 1.000 1 A 39.640 1 ATOM 932 C C . TYR 59 59 ? A -12.751 -4.432 20.042 1.000 1 A 39.640 1 ATOM 933 O O . TYR 59 59 ? A -11.881 -4.334 20.904 1.000 1 A 39.640 1 ATOM 934 C CB . TYR 59 59 ? A -12.745 -2.026 19.327 1.000 1 A 39.640 1 ATOM 935 C CG . TYR 59 59 ? A -13.399 -1.059 18.363 1.000 1 A 39.640 1 ATOM 936 C CD1 . TYR 59 59 ? A -13.101 -1.124 16.986 1.000 1 A 39.640 1 ATOM 937 C CD2 . TYR 59 59 ? A -14.309 -0.101 18.842 1.000 1 A 39.640 1 ATOM 938 C CE1 . TYR 59 59 ? A -13.701 -0.217 16.090 1.000 1 A 39.640 1 ATOM 939 C CE2 . TYR 59 59 ? A -14.922 0.792 17.947 1.000 1 A 39.640 1 ATOM 940 C CZ . TYR 59 59 ? A -14.615 0.743 16.570 1.000 1 A 39.640 1 ATOM 941 O OH . TYR 59 59 ? A -15.210 1.614 15.713 1.000 1 A 39.640 1 ATOM 942 H H . TYR 59 59 ? A -14.024 -2.569 21.666 1.000 1 A 39.640 1 ATOM 943 H HA . TYR 59 59 ? A -14.229 -3.493 18.831 1.000 1 A 39.640 1 ATOM 944 H HB2 . TYR 59 59 ? A -12.444 -1.497 20.231 1.000 1 A 39.640 1 ATOM 945 H HB3 . TYR 59 59 ? A -11.831 -2.390 18.859 1.000 1 A 39.640 1 ATOM 946 H HD1 . TYR 59 59 ? A -12.408 -1.867 16.620 1.000 1 A 39.640 1 ATOM 947 H HD2 . TYR 59 59 ? A -14.550 -0.069 19.894 1.000 1 A 39.640 1 ATOM 948 H HE1 . TYR 59 59 ? A -13.475 -0.253 15.034 1.000 1 A 39.640 1 ATOM 949 H HE2 . TYR 59 59 ? A -15.639 1.506 18.325 1.000 1 A 39.640 1 ATOM 950 H HH . TYR 59 59 ? A -15.893 2.115 16.165 1.000 1 A 39.640 1 ATOM 951 N N . ASP 60 60 ? A -12.951 -5.533 19.329 1.000 1 A 40.470 1 ATOM 952 C CA . ASP 60 60 ? A -12.078 -6.695 19.418 1.000 1 A 40.470 1 ATOM 953 C C . ASP 60 60 ? A -10.936 -6.509 18.407 1.000 1 A 40.470 1 ATOM 954 O O . ASP 60 60 ? A -11.066 -6.811 17.218 1.000 1 A 40.470 1 ATOM 955 C CB . ASP 60 60 ? A -12.922 -7.973 19.228 1.000 1 A 40.470 1 ATOM 956 C CG . ASP 60 60 ? A -12.538 -9.120 20.169 1.000 1 A 40.470 1 ATOM 957 O OD1 . ASP 60 60 ? A -11.525 -8.987 20.891 1.000 1 A 40.470 1 ATOM 958 O OD2 . ASP 60 60 ? A -13.272 -10.132 20.129 1.000 1 A 40.470 1 ATOM 959 H H . ASP 60 60 ? A -13.735 -5.580 18.694 1.000 1 A 40.470 1 ATOM 960 H HA . ASP 60 60 ? A -11.647 -6.715 20.419 1.000 1 A 40.470 1 ATOM 961 H HB2 . ASP 60 60 ? A -13.968 -7.741 19.426 1.000 1 A 40.470 1 ATOM 962 H HB3 . ASP 60 60 ? A -12.863 -8.318 18.196 1.000 1 A 40.470 1 ATOM 963 N N . HIS 61 61 ? A -9.833 -5.887 18.839 1.000 1 A 37.040 1 ATOM 964 C CA . HIS 61 61 ? A -8.638 -5.740 18.008 1.000 1 A 37.040 1 ATOM 965 C C . HIS 61 61 ? A -7.396 -6.190 18.792 1.000 1 A 37.040 1 ATOM 966 O O . HIS 61 61 ? A -6.982 -5.495 19.721 1.000 1 A 37.040 1 ATOM 967 C CB . HIS 61 61 ? A -8.508 -4.312 17.448 1.000 1 A 37.040 1 ATOM 968 C CG . HIS 61 61 ? A -7.801 -4.271 16.111 1.000 1 A 37.040 1 ATOM 969 N ND1 . HIS 61 61 ? A -6.508 -4.669 15.838 1.000 1 A 37.040 1 ATOM 970 C CD2 . HIS 61 61 ? A -8.364 -3.906 14.917 1.000 1 A 37.040 1 ATOM 971 C CE1 . HIS 61 61 ? A -6.303 -4.540 14.516 1.000 1 A 37.040 1 ATOM 972 N NE2 . HIS 61 61 ? A -7.403 -4.073 13.913 1.000 1 A 37.040 1 ATOM 973 H H . HIS 61 61 ? A -9.801 -5.602 19.807 1.000 1 A 37.040 1 ATOM 974 H HA . HIS 61 61 ? A -8.767 -6.384 17.138 1.000 1 A 37.040 1 ATOM 975 H HB2 . HIS 61 61 ? A -7.995 -3.667 18.162 1.000 1 A 37.040 1 ATOM 976 H HB3 . HIS 61 61 ? A -9.509 -3.905 17.303 1.000 1 A 37.040 1 ATOM 977 H HD1 . HIS 61 61 ? A -5.838 -5.019 16.508 1.000 1 A 37.040 1 ATOM 978 H HD2 . HIS 61 61 ? A -9.381 -3.575 14.772 1.000 1 A 37.040 1 ATOM 979 H HE1 . HIS 61 61 ? A -5.385 -4.779 14.000 1.000 1 A 37.040 1 ATOM 980 N N . PRO 62 62 ? A -6.713 -7.282 18.391 1.000 1 A 40.460 1 ATOM 981 C CA . PRO 62 62 ? A -5.620 -7.894 19.164 1.000 1 A 40.460 1 ATOM 982 C C . PRO 62 62 ? A -4.311 -7.075 19.201 1.000 1 A 40.460 1 ATOM 983 O O . PRO 62 62 ? A -3.252 -7.605 19.518 1.000 1 A 40.460 1 ATOM 984 C CB . PRO 62 62 ? A -5.450 -9.298 18.561 1.000 1 A 40.460 1 ATOM 985 C CG . PRO 62 62 ? A -5.940 -9.145 17.124 1.000 1 A 40.460 1 ATOM 986 C CD . PRO 62 62 ? A -7.065 -8.127 17.258 1.000 1 A 40.460 1 ATOM 987 H HA . PRO 62 62 ? A -5.947 -8.005 20.198 1.000 1 A 40.460 1 ATOM 988 H HB2 . PRO 62 62 ? A -4.423 -9.663 18.600 1.000 1 A 40.460 1 ATOM 989 H HB3 . PRO 62 62 ? A -6.104 -9.993 19.088 1.000 1 A 40.460 1 ATOM 990 H HG2 . PRO 62 62 ? A -5.142 -8.732 16.507 1.000 1 A 40.460 1 ATOM 991 H HG3 . PRO 62 62 ? A -6.297 -10.090 16.713 1.000 1 A 40.460 1 ATOM 992 H HD2 . PRO 62 62 ? A -7.151 -7.551 16.336 1.000 1 A 40.460 1 ATOM 993 H HD3 . PRO 62 62 ? A -8.002 -8.641 17.469 1.000 1 A 40.460 1 ATOM 994 N N . ARG 63 63 ? A -4.341 -5.785 18.838 1.000 1 A 39.310 1 ATOM 995 C CA . ARG 63 63 ? A -3.159 -4.899 18.786 1.000 1 A 39.310 1 ATOM 996 C C . ARG 63 63 ? A -3.387 -3.482 19.324 1.000 1 A 39.310 1 ATOM 997 O O . ARG 63 63 ? A -2.473 -2.669 19.239 1.000 1 A 39.310 1 ATOM 998 C CB . ARG 63 63 ? A -2.569 -4.867 17.361 1.000 1 A 39.310 1 ATOM 999 C CG . ARG 63 63 ? A -1.786 -6.143 17.021 1.000 1 A 39.310 1 ATOM 1000 C CD . ARG 63 63 ? A -1.002 -5.945 15.719 1.000 1 A 39.310 1 ATOM 1001 N NE . ARG 63 63 ? A -0.249 -7.158 15.352 1.000 1 A 39.310 1 ATOM 1002 C CZ . ARG 63 63 ? A 0.530 -7.307 14.296 1.000 1 A 39.310 1 ATOM 1003 N NH1 . ARG 63 63 ? A 0.727 -6.340 13.441 1.000 1 A 39.310 1 ATOM 1004 N NH2 . ARG 63 63 ? A 1.132 -8.441 14.075 1.000 1 A 39.310 1 ATOM 1005 H H . ARG 63 63 ? A -5.263 -5.377 18.782 1.000 1 A 39.310 1 ATOM 1006 H HA . ARG 63 63 ? A -2.400 -5.302 19.457 1.000 1 A 39.310 1 ATOM 1007 H HB2 . ARG 63 63 ? A -1.873 -4.033 17.280 1.000 1 A 39.310 1 ATOM 1008 H HB3 . ARG 63 63 ? A -3.365 -4.710 16.632 1.000 1 A 39.310 1 ATOM 1009 H HG2 . ARG 63 63 ? A -2.478 -6.978 16.909 1.000 1 A 39.310 1 ATOM 1010 H HG3 . ARG 63 63 ? A -1.086 -6.366 17.826 1.000 1 A 39.310 1 ATOM 1011 H HD2 . ARG 63 63 ? A -0.309 -5.115 15.854 1.000 1 A 39.310 1 ATOM 1012 H HD3 . ARG 63 63 ? A -1.703 -5.697 14.923 1.000 1 A 39.310 1 ATOM 1013 H HE . ARG 63 63 ? A -0.328 -7.943 15.983 1.000 1 A 39.310 1 ATOM 1014 H HH11 . ARG 63 63 ? A 1.339 -6.468 12.648 1.000 1 A 39.310 1 ATOM 1015 H HH12 . ARG 63 63 ? A 0.293 -5.445 13.616 1.000 1 A 39.310 1 ATOM 1016 H HH21 . ARG 63 63 ? A 1.021 -9.206 14.724 1.000 1 A 39.310 1 ATOM 1017 H HH22 . ARG 63 63 ? A 1.739 -8.553 13.275 1.000 1 A 39.310 1 ATOM 1018 N N . PHE 64 64 ? A -4.564 -3.164 19.863 1.000 1 A 37.200 1 ATOM 1019 C CA . PHE 64 64 ? A -4.867 -1.810 20.336 1.000 1 A 37.200 1 ATOM 1020 C C . PHE 64 64 ? A -5.272 -1.815 21.811 1.000 1 A 37.200 1 ATOM 1021 O O . PHE 64 64 ? A -6.442 -1.812 22.167 1.000 1 A 37.200 1 ATOM 1022 C CB . PHE 64 64 ? A -5.873 -1.127 19.397 1.000 1 A 37.200 1 ATOM 1023 C CG . PHE 64 64 ? A -5.204 -0.468 18.202 1.000 1 A 37.200 1 ATOM 1024 C CD1 . PHE 64 64 ? A -4.714 0.847 18.320 1.000 1 A 37.200 1 ATOM 1025 C CD2 . PHE 64 64 ? A -5.048 -1.161 16.987 1.000 1 A 37.200 1 ATOM 1026 C CE1 . PHE 64 64 ? A -4.077 1.468 17.230 1.000 1 A 37.200 1 ATOM 1027 C CE2 . PHE 64 64 ? A -4.409 -0.542 15.897 1.000 1 A 37.200 1 ATOM 1028 C CZ . PHE 64 64 ? A -3.924 0.773 16.018 1.000 1 A 37.200 1 ATOM 1029 H H . PHE 64 64 ? A -5.259 -3.882 20.010 1.000 1 A 37.200 1 ATOM 1030 H HA . PHE 64 64 ? A -3.966 -1.198 20.299 1.000 1 A 37.200 1 ATOM 1031 H HB2 . PHE 64 64 ? A -6.401 -0.350 19.950 1.000 1 A 37.200 1 ATOM 1032 H HB3 . PHE 64 64 ? A -6.621 -1.846 19.062 1.000 1 A 37.200 1 ATOM 1033 H HD1 . PHE 64 64 ? A -4.832 1.382 19.251 1.000 1 A 37.200 1 ATOM 1034 H HD2 . PHE 64 64 ? A -5.432 -2.166 16.887 1.000 1 A 37.200 1 ATOM 1035 H HE1 . PHE 64 64 ? A -3.707 2.478 17.323 1.000 1 A 37.200 1 ATOM 1036 H HE2 . PHE 64 64 ? A -4.304 -1.071 14.961 1.000 1 A 37.200 1 ATOM 1037 H HZ . PHE 64 64 ? A -3.439 1.249 15.179 1.000 1 A 37.200 1 ATOM 1038 N N . GLU 65 65 ? A -4.264 -1.763 22.676 1.000 1 A 32.820 1 ATOM 1039 C CA . GLU 65 65 ? A -4.362 -1.701 24.142 1.000 1 A 32.820 1 ATOM 1040 C C . GLU 65 65 ? A -4.788 -0.312 24.673 1.000 1 A 32.820 1 ATOM 1041 O O . GLU 65 65 ? A -4.482 0.070 25.800 1.000 1 A 32.820 1 ATOM 1042 C CB . GLU 65 65 ? A -3.000 -2.156 24.695 1.000 1 A 32.820 1 ATOM 1043 C CG . GLU 65 65 ? A -3.097 -3.005 25.967 1.000 1 A 32.820 1 ATOM 1044 C CD . GLU 65 65 ? A -1.721 -3.555 26.376 1.000 1 A 32.820 1 ATOM 1045 O OE1 . GLU 65 65 ? A -1.703 -4.599 27.062 1.000 1 A 32.820 1 ATOM 1046 O OE2 . GLU 65 65 ? A -0.702 -2.933 25.990 1.000 1 A 32.820 1 ATOM 1047 H H . GLU 65 65 ? A -3.328 -1.838 22.305 1.000 1 A 32.820 1 ATOM 1048 H HA . GLU 65 65 ? A -5.121 -2.415 24.461 1.000 1 A 32.820 1 ATOM 1049 H HB2 . GLU 65 65 ? A -2.504 -2.772 23.945 1.000 1 A 32.820 1 ATOM 1050 H HB3 . GLU 65 65 ? A -2.371 -1.282 24.865 1.000 1 A 32.820 1 ATOM 1051 H HG2 . GLU 65 65 ? A -3.780 -3.833 25.777 1.000 1 A 32.820 1 ATOM 1052 H HG3 . GLU 65 65 ? A -3.508 -2.399 26.775 1.000 1 A 32.820 1 ATOM 1053 N N . ARG 66 66 ? A -5.470 0.504 23.859 1.000 1 A 37.610 1 ATOM 1054 C CA . ARG 66 66 ? A -5.925 1.841 24.266 1.000 1 A 37.610 1 ATOM 1055 C C . ARG 66 66 ? A -7.337 2.108 23.778 1.000 1 A 37.610 1 ATOM 1056 O O . ARG 66 66 ? A -7.592 2.191 22.581 1.000 1 A 37.610 1 ATOM 1057 C CB . ARG 66 66 ? A -4.941 2.936 23.819 1.000 1 A 37.610 1 ATOM 1058 C CG . ARG 66 66 ? A -3.630 2.880 24.621 1.000 1 A 37.610 1 ATOM 1059 C CD . ARG 66 66 ? A -2.750 4.103 24.348 1.000 1 A 37.610 1 ATOM 1060 N NE . ARG 66 66 ? A -1.422 3.945 24.968 1.000 1 A 37.610 1 ATOM 1061 C CZ . ARG 66 66 ? A -0.446 4.833 24.986 1.000 1 A 37.610 1 ATOM 1062 N NH1 . ARG 66 66 ? A -0.590 6.029 24.481 1.000 1 A 37.610 1 ATOM 1063 N NH2 . ARG 66 66 ? A 0.707 4.533 25.515 1.000 1 A 37.610 1 ATOM 1064 H H . ARG 66 66 ? A -5.801 0.116 22.987 1.000 1 A 37.610 1 ATOM 1065 H HA . ARG 66 66 ? A -5.966 1.870 25.355 1.000 1 A 37.610 1 ATOM 1066 H HB2 . ARG 66 66 ? A -4.732 2.837 22.754 1.000 1 A 37.610 1 ATOM 1067 H HB3 . ARG 66 66 ? A -5.408 3.906 23.989 1.000 1 A 37.610 1 ATOM 1068 H HG2 . ARG 66 66 ? A -3.854 2.841 25.687 1.000 1 A 37.610 1 ATOM 1069 H HG3 . ARG 66 66 ? A -3.083 1.979 24.343 1.000 1 A 37.610 1 ATOM 1070 H HD2 . ARG 66 66 ? A -2.632 4.215 23.270 1.000 1 A 37.610 1 ATOM 1071 H HD3 . ARG 66 66 ? A -3.248 4.987 24.747 1.000 1 A 37.610 1 ATOM 1072 H HE . ARG 66 66 ? A -1.239 3.053 25.406 1.000 1 A 37.610 1 ATOM 1073 H HH11 . ARG 66 66 ? A 0.173 6.690 24.498 1.000 1 A 37.610 1 ATOM 1074 H HH12 . ARG 66 66 ? A -1.486 6.282 24.088 1.000 1 A 37.610 1 ATOM 1075 H HH21 . ARG 66 66 ? A 0.849 3.617 25.917 1.000 1 A 37.610 1 ATOM 1076 H HH22 . ARG 66 66 ? A 1.456 5.209 25.547 1.000 1 A 37.610 1 ATOM 1077 N N . THR 67 67 ? A -8.226 2.298 24.747 1.000 1 A 38.420 1 ATOM 1078 C CA . THR 67 67 ? A -9.557 2.897 24.623 1.000 1 A 38.420 1 ATOM 1079 C C . THR 67 67 ? A -9.487 4.212 23.849 1.000 1 A 38.420 1 ATOM 1080 O O . THR 67 67 ? A -9.248 5.271 24.428 1.000 1 A 38.420 1 ATOM 1081 C CB . THR 67 67 ? A -10.125 3.176 26.033 1.000 1 A 38.420 1 ATOM 1082 O OG1 . THR 67 67 ? A -9.084 3.503 26.931 1.000 1 A 38.420 1 ATOM 1083 C CG2 . THR 67 67 ? A -10.861 1.975 26.615 1.000 1 A 38.420 1 ATOM 1084 H H . THR 67 67 ? A -7.907 2.167 25.696 1.000 1 A 38.420 1 ATOM 1085 H HA . THR 67 67 ? A -10.223 2.215 24.093 1.000 1 A 38.420 1 ATOM 1086 H HB . THR 67 67 ? A -10.835 4.002 25.988 1.000 1 A 38.420 1 ATOM 1087 H HG1 . THR 67 67 ? A -8.800 4.391 26.705 1.000 1 A 38.420 1 ATOM 1088 H HG21 . THR 67 67 ? A -10.186 1.122 26.683 1.000 1 A 38.420 1 ATOM 1089 H HG22 . THR 67 67 ? A -11.226 2.222 27.612 1.000 1 A 38.420 1 ATOM 1090 H HG23 . THR 67 67 ? A -11.707 1.716 25.978 1.000 1 A 38.420 1 ATOM 1091 N N . TYR 68 68 ? A -9.705 4.156 22.538 1.000 1 A 37.680 1 ATOM 1092 C CA . TYR 68 68 ? A -10.067 5.335 21.766 1.000 1 A 37.680 1 ATOM 1093 C C . TYR 68 68 ? A -11.570 5.555 21.913 1.000 1 A 37.680 1 ATOM 1094 O O . TYR 68 68 ? A -12.381 4.673 21.629 1.000 1 A 37.680 1 ATOM 1095 C CB . TYR 68 68 ? A -9.615 5.211 20.307 1.000 1 A 37.680 1 ATOM 1096 C CG . TYR 68 68 ? A -8.159 5.597 20.114 1.000 1 A 37.680 1 ATOM 1097 C CD1 . TYR 68 68 ? A -7.820 6.949 19.901 1.000 1 A 37.680 1 ATOM 1098 C CD2 . TYR 68 68 ? A -7.145 4.622 20.183 1.000 1 A 37.680 1 ATOM 1099 C CE1 . TYR 68 68 ? A -6.471 7.324 19.751 1.000 1 A 37.680 1 ATOM 1100 C CE2 . TYR 68 68 ? A -5.795 4.992 20.027 1.000 1 A 37.680 1 ATOM 1101 C CZ . TYR 68 68 ? A -5.457 6.346 19.812 1.000 1 A 37.680 1 ATOM 1102 O OH . TYR 68 68 ? A -4.156 6.710 19.664 1.000 1 A 37.680 1 ATOM 1103 H H . TYR 68 68 ? A -9.769 3.252 22.091 1.000 1 A 37.680 1 ATOM 1104 H HA . TYR 68 68 ? A -9.562 6.206 22.183 1.000 1 A 37.680 1 ATOM 1105 H HB2 . TYR 68 68 ? A -9.785 4.196 19.949 1.000 1 A 37.680 1 ATOM 1106 H HB3 . TYR 68 68 ? A -10.224 5.878 19.696 1.000 1 A 37.680 1 ATOM 1107 H HD1 . TYR 68 68 ? A -8.595 7.700 19.860 1.000 1 A 37.680 1 ATOM 1108 H HD2 . TYR 68 68 ? A -7.405 3.589 20.362 1.000 1 A 37.680 1 ATOM 1109 H HE1 . TYR 68 68 ? A -6.202 8.357 19.586 1.000 1 A 37.680 1 ATOM 1110 H HE2 . TYR 68 68 ? A -5.025 4.237 20.073 1.000 1 A 37.680 1 ATOM 1111 H HH . TYR 68 68 ? A -3.574 5.948 19.639 1.000 1 A 37.680 1 ATOM 1112 N N . SER 69 69 ? A -11.939 6.744 22.377 1.000 1 A 42.810 1 ATOM 1113 C CA . SER 69 69 ? A -13.301 7.254 22.300 1.000 1 A 42.810 1 ATOM 1114 C C . SER 69 69 ? A -13.750 7.216 20.839 1.000 1 A 42.810 1 ATOM 1115 O O . SER 69 69 ? A -13.111 7.799 19.964 1.000 1 A 42.810 1 ATOM 1116 C CB . SER 69 69 ? A -13.362 8.678 22.880 1.000 1 A 42.810 1 ATOM 1117 O OG . SER 69 69 ? A -12.124 9.362 22.744 1.000 1 A 42.810 1 ATOM 1118 H H . SER 69 69 ? A -11.228 7.428 22.594 1.000 1 A 42.810 1 ATOM 1119 H HA . SER 69 69 ? A -13.955 6.610 22.887 1.000 1 A 42.810 1 ATOM 1120 H HB2 . SER 69 69 ? A -14.156 9.241 22.389 1.000 1 A 42.810 1 ATOM 1121 H HB3 . SER 69 69 ? A -13.595 8.609 23.942 1.000 1 A 42.810 1 ATOM 1122 H HG . SER 69 69 ? A -12.237 10.279 23.003 1.000 1 A 42.810 1 ATOM 1123 N N . CYS 70 70 ? A -14.833 6.486 20.568 1.000 1 A 38.250 1 ATOM 1124 C CA . CYS 70 70 ? A -15.405 6.371 19.233 1.000 1 A 38.250 1 ATOM 1125 C C . CYS 70 70 ? A -15.658 7.769 18.657 1.000 1 A 38.250 1 ATOM 1126 O O . CYS 70 70 ? A -16.532 8.502 19.125 1.000 1 A 38.250 1 ATOM 1127 C CB . CYS 70 70 ? A -16.706 5.550 19.300 1.000 1 A 38.250 1 ATOM 1128 S SG . CYS 70 70 ? A -16.529 4.042 18.315 1.000 1 A 38.250 1 ATOM 1129 H H . CYS 70 70 ? A -15.241 5.936 21.310 1.000 1 A 38.250 1 ATOM 1130 H HA . CYS 70 70 ? A -14.688 5.857 18.593 1.000 1 A 38.250 1 ATOM 1131 H HB2 . CYS 70 70 ? A -17.533 6.133 18.894 1.000 1 A 38.250 1 ATOM 1132 H HB3 . CYS 70 70 ? A -16.952 5.284 20.328 1.000 1 A 38.250 1 ATOM 1133 H HG . CYS 70 70 ? A -17.822 3.707 18.314 1.000 1 A 38.250 1 ATOM 1134 N N . ASN 71 71 ? A -14.890 8.151 17.636 1.000 1 A 41.710 1 ATOM 1135 C CA . ASN 71 71 ? A -15.168 9.357 16.880 1.000 1 A 41.710 1 ATOM 1136 C C . ASN 71 71 ? A -16.521 9.172 16.184 1.000 1 A 41.710 1 ATOM 1137 O O . ASN 71 71 ? A -16.673 8.297 15.340 1.000 1 A 41.710 1 ATOM 1138 C CB . ASN 71 71 ? A -14.012 9.665 15.902 1.000 1 A 41.710 1 ATOM 1139 C CG . ASN 71 71 ? A -13.138 10.827 16.346 1.000 1 A 41.710 1 ATOM 1140 O OD1 . ASN 71 71 ? A -13.527 11.680 17.124 1.000 1 A 41.710 1 ATOM 1141 N ND2 . ASN 71 71 ? A -11.944 10.936 15.813 1.000 1 A 41.710 1 ATOM 1142 H H . ASN 71 71 ? A -14.126 7.553 17.353 1.000 1 A 41.710 1 ATOM 1143 H HA . ASN 71 71 ? A -15.269 10.176 17.592 1.000 1 A 41.710 1 ATOM 1144 H HB2 . ASN 71 71 ? A -14.419 9.931 14.926 1.000 1 A 41.710 1 ATOM 1145 H HB3 . ASN 71 71 ? A -13.389 8.781 15.766 1.000 1 A 41.710 1 ATOM 1146 H HD21 . ASN 71 71 ? A -11.379 11.705 16.144 1.000 1 A 41.710 1 ATOM 1147 H HD22 . ASN 71 71 ? A -11.588 10.236 15.178 1.000 1 A 41.710 1 ATOM 1148 N N . ARG 72 72 ? A -17.472 10.022 16.579 1.000 1 A 44.400 1 ATOM 1149 C CA . ARG 72 72 ? A -18.873 10.271 16.171 1.000 1 A 44.400 1 ATOM 1150 C C . ARG 72 72 ? A -19.433 9.702 14.849 1.000 1 A 44.400 1 ATOM 1151 O O . ARG 72 72 ? A -20.647 9.612 14.729 1.000 1 A 44.400 1 ATOM 1152 C CB . ARG 72 72 ? A -18.998 11.807 16.180 1.000 1 A 44.400 1 ATOM 1153 C CG . ARG 72 72 ? A -20.379 12.317 16.591 1.000 1 A 44.400 1 ATOM 1154 C CD . ARG 72 72 ? A -20.287 13.833 16.786 1.000 1 A 44.400 1 ATOM 1155 N NE . ARG 72 72 ? A -21.592 14.395 17.152 1.000 1 A 44.400 1 ATOM 1156 C CZ . ARG 72 72 ? A -21.966 15.642 16.964 1.000 1 A 44.400 1 ATOM 1157 N NH1 . ARG 72 72 ? A -21.124 16.585 16.638 1.000 1 A 44.400 1 ATOM 1158 N NH2 . ARG 72 72 ? A -23.225 15.949 17.072 1.000 1 A 44.400 1 ATOM 1159 H H . ARG 72 72 ? A -17.177 10.561 17.380 1.000 1 A 44.400 1 ATOM 1160 H HA . ARG 72 72 ? A -19.510 9.854 16.951 1.000 1 A 44.400 1 ATOM 1161 H HB2 . ARG 72 72 ? A -18.287 12.219 16.896 1.000 1 A 44.400 1 ATOM 1162 H HB3 . ARG 72 72 ? A -18.737 12.198 15.197 1.000 1 A 44.400 1 ATOM 1163 H HG2 . ARG 72 72 ? A -20.682 11.847 17.527 1.000 1 A 44.400 1 ATOM 1164 H HG3 . ARG 72 72 ? A -21.107 12.083 15.813 1.000 1 A 44.400 1 ATOM 1165 H HD2 . ARG 72 72 ? A -19.941 14.274 15.851 1.000 1 A 44.400 1 ATOM 1166 H HD3 . ARG 72 72 ? A -19.562 14.052 17.570 1.000 1 A 44.400 1 ATOM 1167 H HE . ARG 72 72 ? A -22.306 13.725 17.401 1.000 1 A 44.400 1 ATOM 1168 H HH11 . ARG 72 72 ? A -20.155 16.333 16.502 1.000 1 A 44.400 1 ATOM 1169 H HH12 . ARG 72 72 ? A -21.444 17.498 16.348 1.000 1 A 44.400 1 ATOM 1170 H HH21 . ARG 72 72 ? A -23.545 16.853 16.755 1.000 1 A 44.400 1 ATOM 1171 H HH22 . ARG 72 72 ? A -23.896 15.202 17.176 1.000 1 A 44.400 1 ATOM 1172 N N . HIS 73 73 ? A -18.606 9.340 13.874 1.000 1 A 44.130 1 ATOM 1173 C CA . HIS 73 73 ? A -19.008 8.777 12.585 1.000 1 A 44.130 1 ATOM 1174 C C . HIS 73 73 ? A -18.924 7.243 12.506 1.000 1 A 44.130 1 ATOM 1175 O O . HIS 73 73 ? A -19.629 6.652 11.695 1.000 1 A 44.130 1 ATOM 1176 C CB . HIS 73 73 ? A -18.174 9.440 11.480 1.000 1 A 44.130 1 ATOM 1177 C CG . HIS 73 73 ? A -18.636 10.842 11.174 1.000 1 A 44.130 1 ATOM 1178 N ND1 . HIS 73 73 ? A -18.024 12.018 11.550 1.000 1 A 44.130 1 ATOM 1179 C CD2 . HIS 73 73 ? A -19.748 11.179 10.450 1.000 1 A 44.130 1 ATOM 1180 C CE1 . HIS 73 73 ? A -18.750 13.036 11.057 1.000 1 A 44.130 1 ATOM 1181 N NE2 . HIS 73 73 ? A -19.819 12.573 10.397 1.000 1 A 44.130 1 ATOM 1182 H H . HIS 73 73 ? A -17.621 9.329 14.098 1.000 1 A 44.130 1 ATOM 1183 H HA . HIS 73 73 ? A -20.053 9.025 12.399 1.000 1 A 44.130 1 ATOM 1184 H HB2 . HIS 73 73 ? A -17.120 9.445 11.756 1.000 1 A 44.130 1 ATOM 1185 H HB3 . HIS 73 73 ? A -18.276 8.857 10.565 1.000 1 A 44.130 1 ATOM 1186 H HD1 . HIS 73 73 ? A -17.122 12.101 11.996 1.000 1 A 44.130 1 ATOM 1187 H HD2 . HIS 73 73 ? A -20.446 10.491 9.996 1.000 1 A 44.130 1 ATOM 1188 H HE1 . HIS 73 73 ? A -18.496 14.082 11.140 1.000 1 A 44.130 1 ATOM 1189 N N . SER 74 74 ? A -18.122 6.571 13.340 1.000 1 A 44.630 1 ATOM 1190 C CA . SER 74 74 ? A -17.901 5.117 13.223 1.000 1 A 44.630 1 ATOM 1191 C C . SER 74 74 ? A -18.971 4.244 13.893 1.000 1 A 44.630 1 ATOM 1192 O O . SER 74 74 ? A -19.018 3.047 13.637 1.000 1 A 44.630 1 ATOM 1193 C CB . SER 74 74 ? A -16.502 4.746 13.722 1.000 1 A 44.630 1 ATOM 1194 O OG . SER 74 74 ? A -16.287 5.250 15.025 1.000 1 A 44.630 1 ATOM 1195 H H . SER 74 74 ? A -17.567 7.065 14.025 1.000 1 A 44.630 1 ATOM 1196 H HA . SER 74 74 ? A -17.930 4.851 12.166 1.000 1 A 44.630 1 ATOM 1197 H HB2 . SER 74 74 ? A -15.758 5.173 13.050 1.000 1 A 44.630 1 ATOM 1198 H HB3 . SER 74 74 ? A -16.391 3.662 13.722 1.000 1 A 44.630 1 ATOM 1199 H HG . SER 74 74 ? A -15.560 4.762 15.419 1.000 1 A 44.630 1 ATOM 1200 N N . CYS 75 75 ? A -19.865 4.826 14.701 1.000 1 A 44.530 1 ATOM 1201 C CA . CYS 75 75 ? A -21.004 4.115 15.303 1.000 1 A 44.530 1 ATOM 1202 C C . CYS 75 75 ? A -22.271 4.119 14.427 1.000 1 A 44.530 1 ATOM 1203 O O . CYS 75 75 ? A -23.254 3.473 14.786 1.000 1 A 44.530 1 ATOM 1204 C CB . CYS 75 75 ? A -21.320 4.727 16.676 1.000 1 A 44.530 1 ATOM 1205 S SG . CYS 75 75 ? A -19.962 4.451 17.846 1.000 1 A 44.530 1 ATOM 1206 H H . CYS 75 75 ? A -19.726 5.799 14.933 1.000 1 A 44.530 1 ATOM 1207 H HA . CYS 75 75 ? A -20.738 3.068 15.451 1.000 1 A 44.530 1 ATOM 1208 H HB2 . CYS 75 75 ? A -21.504 5.796 16.566 1.000 1 A 44.530 1 ATOM 1209 H HB3 . CYS 75 75 ? A -22.223 4.266 17.075 1.000 1 A 44.530 1 ATOM 1210 H HG . CYS 75 75 ? A -20.296 3.204 18.188 1.000 1 A 44.530 1 ATOM 1211 N N . ILE 76 76 ? A -22.279 4.854 13.307 1.000 1 A 42.040 1 ATOM 1212 C CA . ILE 76 76 ? A -23.482 5.069 12.481 1.000 1 A 42.040 1 ATOM 1213 C C . ILE 76 76 ? A -24.024 3.750 11.914 1.000 1 A 42.040 1 ATOM 1214 O O . ILE 76 76 ? A -25.234 3.579 11.839 1.000 1 A 42.040 1 ATOM 1215 C CB . ILE 76 76 ? A -23.186 6.118 11.378 1.000 1 A 42.040 1 ATOM 1216 C CG1 . ILE 76 76 ? A -23.011 7.508 12.037 1.000 1 A 42.040 1 ATOM 1217 C CG2 . ILE 76 76 ? A -24.291 6.168 10.305 1.000 1 A 42.040 1 ATOM 1218 C CD1 . ILE 76 76 ? A -22.534 8.612 11.084 1.000 1 A 42.040 1 ATOM 1219 H H . ILE 76 76 ? A -21.426 5.319 13.031 1.000 1 A 42.040 1 ATOM 1220 H HA . ILE 76 76 ? A -24.272 5.465 13.118 1.000 1 A 42.040 1 ATOM 1221 H HB . ILE 76 76 ? A -22.255 5.843 10.882 1.000 1 A 42.040 1 ATOM 1222 H HG12 . ILE 76 76 ? A -22.271 7.437 12.835 1.000 1 A 42.040 1 ATOM 1223 H HG13 . ILE 76 76 ? A -23.955 7.817 12.487 1.000 1 A 42.040 1 ATOM 1224 H HG21 . ILE 76 76 ? A -24.063 6.918 9.548 1.000 1 A 42.040 1 ATOM 1225 H HG22 . ILE 76 76 ? A -25.252 6.399 10.766 1.000 1 A 42.040 1 ATOM 1226 H HG23 . ILE 76 76 ? A -24.370 5.211 9.788 1.000 1 A 42.040 1 ATOM 1227 H HD11 . ILE 76 76 ? A -21.639 8.285 10.553 1.000 1 A 42.040 1 ATOM 1228 H HD12 . ILE 76 76 ? A -22.301 9.507 11.661 1.000 1 A 42.040 1 ATOM 1229 H HD13 . ILE 76 76 ? A -23.314 8.862 10.366 1.000 1 A 42.040 1 ATOM 1230 N N . SER 77 77 ? A -23.160 2.785 11.589 1.000 1 A 46.370 1 ATOM 1231 C CA . SER 77 77 ? A -23.575 1.463 11.100 1.000 1 A 46.370 1 ATOM 1232 C C . SER 77 77 ? A -24.068 0.508 12.197 1.000 1 A 46.370 1 ATOM 1233 O O . SER 77 77 ? A -24.535 -0.581 11.876 1.000 1 A 46.370 1 ATOM 1234 C CB . SER 77 77 ? A -22.431 0.825 10.307 1.000 1 A 46.370 1 ATOM 1235 O OG . SER 77 77 ? A -21.221 0.902 11.040 1.000 1 A 46.370 1 ATOM 1236 H H . SER 77 77 ? A -22.169 2.939 11.703 1.000 1 A 46.370 1 ATOM 1237 H HA . SER 77 77 ? A -24.413 1.594 10.416 1.000 1 A 46.370 1 ATOM 1238 H HB2 . SER 77 77 ? A -22.669 -0.216 10.087 1.000 1 A 46.370 1 ATOM 1239 H HB3 . SER 77 77 ? A -22.308 1.361 9.366 1.000 1 A 46.370 1 ATOM 1240 H HG . SER 77 77 ? A -20.600 0.261 10.685 1.000 1 A 46.370 1 ATOM 1241 N N . CYS 78 78 ? A -23.983 0.898 13.474 1.000 1 A 43.880 1 ATOM 1242 C CA . CYS 78 78 ? A -24.434 0.095 14.614 1.000 1 A 43.880 1 ATOM 1243 C C . CYS 78 78 ? A -25.750 0.607 15.228 1.000 1 A 43.880 1 ATOM 1244 O O . CYS 78 78 ? A -26.415 -0.136 15.946 1.000 1 A 43.880 1 ATOM 1245 C CB . CYS 78 78 ? A -23.329 0.042 15.676 1.000 1 A 43.880 1 ATOM 1246 S SG . CYS 78 78 ? A -21.644 -0.202 15.056 1.000 1 A 43.880 1 ATOM 1247 H H . CYS 78 78 ? A -23.584 1.805 13.670 1.000 1 A 43.880 1 ATOM 1248 H HA . CYS 78 78 ? A -24.615 -0.927 14.281 1.000 1 A 43.880 1 ATOM 1249 H HB2 . CYS 78 78 ? A -23.570 -0.765 16.368 1.000 1 A 43.880 1 ATOM 1250 H HB3 . CYS 78 78 ? A -23.342 0.974 16.241 1.000 1 A 43.880 1 ATOM 1251 N N . CYS 79 79 ? A -26.139 1.860 14.958 1.000 1 A 39.350 1 ATOM 1252 C CA . CYS 79 79 ? A -27.457 2.393 15.313 1.000 1 A 39.350 1 ATOM 1253 C C . CYS 79 79 ? A -28.452 1.995 14.200 1.000 1 A 39.350 1 ATOM 1254 O O . CYS 79 79 ? A -28.241 2.315 13.031 1.000 1 A 39.350 1 ATOM 1255 C CB . CYS 79 79 ? A -27.395 3.930 15.518 1.000 1 A 39.350 1 ATOM 1256 S SG . CYS 79 79 ? A -26.521 4.646 16.976 1.000 1 A 39.350 1 ATOM 1257 H H . CYS 79 79 ? A -25.570 2.413 14.333 1.000 1 A 39.350 1 ATOM 1258 H HA . CYS 79 79 ? A -27.791 1.945 16.250 1.000 1 A 39.350 1 ATOM 1259 H HB2 . CYS 79 79 ? A -28.422 4.295 15.559 1.000 1 A 39.350 1 ATOM 1260 H HB3 . CYS 79 79 ? A -26.954 4.360 14.619 1.000 1 A 39.350 1 ATOM 1261 N N . SER 80 80 ? A -29.548 1.306 14.546 1.000 1 A 36.720 1 ATOM 1262 C CA . SER 80 80 ? A -30.680 1.097 13.624 1.000 1 A 36.720 1 ATOM 1263 C C . SER 80 80 ? A -31.152 2.454 13.070 1.000 1 A 36.720 1 ATOM 1264 O O . SER 80 80 ? A -31.145 3.424 13.831 1.000 1 A 36.720 1 ATOM 1265 C CB . SER 80 80 ? A -31.819 0.389 14.373 1.000 1 A 36.720 1 ATOM 1266 O OG . SER 80 80 ? A -32.966 0.208 13.564 1.000 1 A 36.720 1 ATOM 1267 H H . SER 80 80 ? A -29.653 1.042 15.515 1.000 1 A 36.720 1 ATOM 1268 H HA . SER 80 80 ? A -30.342 0.464 12.804 1.000 1 A 36.720 1 ATOM 1269 H HB2 . SER 80 80 ? A -31.463 -0.586 14.707 1.000 1 A 36.720 1 ATOM 1270 H HB3 . SER 80 80 ? A -32.093 0.977 15.249 1.000 1 A 36.720 1 ATOM 1271 H HG . SER 80 80 ? A -33.502 -0.493 13.943 1.000 1 A 36.720 1 ATOM 1272 N N . PRO 81 81 ? A -31.604 2.564 11.803 1.000 1 A 40.270 1 ATOM 1273 C CA . PRO 81 81 ? A -32.055 3.832 11.209 1.000 1 A 40.270 1 ATOM 1274 C C . PRO 81 81 ? A -33.185 4.535 11.988 1.000 1 A 40.270 1 ATOM 1275 O O . PRO 81 81 ? A -33.460 5.706 11.747 1.000 1 A 40.270 1 ATOM 1276 C CB . PRO 81 81 ? A -32.476 3.483 9.773 1.000 1 A 40.270 1 ATOM 1277 C CG . PRO 81 81 ? A -32.730 1.977 9.806 1.000 1 A 40.270 1 ATOM 1278 C CD . PRO 81 81 ? A -31.714 1.488 10.831 1.000 1 A 40.270 1 ATOM 1279 H HA . PRO 81 81 ? A -31.212 4.523 11.171 1.000 1 A 40.270 1 ATOM 1280 H HB2 . PRO 81 81 ? A -31.648 3.693 9.096 1.000 1 A 40.270 1 ATOM 1281 H HB3 . PRO 81 81 ? A -33.364 4.030 9.456 1.000 1 A 40.270 1 ATOM 1282 H HG2 . PRO 81 81 ? A -33.740 1.783 10.169 1.000 1 A 40.270 1 ATOM 1283 H HG3 . PRO 81 81 ? A -32.576 1.516 8.830 1.000 1 A 40.270 1 ATOM 1284 H HD2 . PRO 81 81 ? A -30.747 1.341 10.350 1.000 1 A 40.270 1 ATOM 1285 H HD3 . PRO 81 81 ? A -32.056 0.552 11.272 1.000 1 A 40.270 1 ATOM 1286 N N . HIS 82 82 ? A -33.812 3.846 12.947 1.000 1 A 37.950 1 ATOM 1287 C CA . HIS 82 82 ? A -34.853 4.373 13.832 1.000 1 A 37.950 1 ATOM 1288 C C . HIS 82 82 ? A -34.370 4.767 15.238 1.000 1 A 37.950 1 ATOM 1289 O O . HIS 82 82 ? A -35.173 5.218 16.052 1.000 1 A 37.950 1 ATOM 1290 C CB . HIS 82 82 ? A -35.985 3.344 13.894 1.000 1 A 37.950 1 ATOM 1291 C CG . HIS 82 82 ? A -36.618 3.140 12.546 1.000 1 A 37.950 1 ATOM 1292 N ND1 . HIS 82 82 ? A -37.419 4.047 11.892 1.000 1 A 37.950 1 ATOM 1293 C CD2 . HIS 82 82 ? A -36.449 2.070 11.709 1.000 1 A 37.950 1 ATOM 1294 C CE1 . HIS 82 82 ? A -37.734 3.533 10.693 1.000 1 A 37.950 1 ATOM 1295 N NE2 . HIS 82 82 ? A -37.163 2.330 10.536 1.000 1 A 37.950 1 ATOM 1296 H H . HIS 82 82 ? A -33.534 2.883 13.074 1.000 1 A 37.950 1 ATOM 1297 H HA . HIS 82 82 ? A -35.258 5.284 13.391 1.000 1 A 37.950 1 ATOM 1298 H HB2 . HIS 82 82 ? A -36.756 3.693 14.580 1.000 1 A 37.950 1 ATOM 1299 H HB3 . HIS 82 82 ? A -35.601 2.395 14.267 1.000 1 A 37.950 1 ATOM 1300 H HD1 . HIS 82 82 ? A -37.708 4.950 12.241 1.000 1 A 37.950 1 ATOM 1301 H HD2 . HIS 82 82 ? A -35.854 1.191 11.908 1.000 1 A 37.950 1 ATOM 1302 H HE1 . HIS 82 82 ? A -38.350 4.017 9.950 1.000 1 A 37.950 1 ATOM 1303 N N . GLN 83 83 ? A -33.083 4.605 15.552 1.000 1 A 39.550 1 ATOM 1304 C CA . GLN 83 83 ? A -32.510 5.005 16.834 1.000 1 A 39.550 1 ATOM 1305 C C . GLN 83 83 ? A -31.631 6.233 16.635 1.000 1 A 39.550 1 ATOM 1306 O O . GLN 83 83 ? A -30.467 6.150 16.245 1.000 1 A 39.550 1 ATOM 1307 C CB . GLN 83 83 ? A -31.772 3.834 17.495 1.000 1 A 39.550 1 ATOM 1308 C CG . GLN 83 83 ? A -32.774 2.823 18.077 1.000 1 A 39.550 1 ATOM 1309 C CD . GLN 83 83 ? A -32.103 1.670 18.815 1.000 1 A 39.550 1 ATOM 1310 O OE1 . GLN 83 83 ? A -30.895 1.517 18.852 1.000 1 A 39.550 1 ATOM 1311 N NE2 . GLN 83 83 ? A -32.869 0.790 19.423 1.000 1 A 39.550 1 ATOM 1312 H H . GLN 83 83 ? A -32.446 4.278 14.840 1.000 1 A 39.550 1 ATOM 1313 H HA . GLN 83 83 ? A -33.304 5.302 17.520 1.000 1 A 39.550 1 ATOM 1314 H HB2 . GLN 83 83 ? A -31.159 4.220 18.310 1.000 1 A 39.550 1 ATOM 1315 H HB3 . GLN 83 83 ? A -31.121 3.346 16.770 1.000 1 A 39.550 1 ATOM 1316 H HG2 . GLN 83 83 ? A -33.382 2.410 17.273 1.000 1 A 39.550 1 ATOM 1317 H HG3 . GLN 83 83 ? A -33.435 3.336 18.776 1.000 1 A 39.550 1 ATOM 1318 H HE21 . GLN 83 83 ? A -32.388 0.038 19.894 1.000 1 A 39.550 1 ATOM 1319 H HE22 . GLN 83 83 ? A -33.875 0.885 19.422 1.000 1 A 39.550 1 ATOM 1320 N N . THR 84 84 ? A -32.206 7.398 16.925 1.000 1 A 36.290 1 ATOM 1321 C CA . THR 84 84 ? A -31.474 8.649 17.096 1.000 1 A 36.290 1 ATOM 1322 C C . THR 84 84 ? A -30.402 8.396 18.151 1.000 1 A 36.290 1 ATOM 1323 O O . THR 84 84 ? A -30.734 8.243 19.326 1.000 1 A 36.290 1 ATOM 1324 C CB . THR 84 84 ? A -32.422 9.786 17.554 1.000 1 A 36.290 1 ATOM 1325 O OG1 . THR 84 84 ? A -33.777 9.474 17.305 1.000 1 A 36.290 1 ATOM 1326 C CG2 . THR 84 84 ? A -32.133 11.088 16.812 1.000 1 A 36.290 1 ATOM 1327 H H . THR 84 84 ? A -33.193 7.421 17.138 1.000 1 A 36.290 1 ATOM 1328 H HA . THR 84 84 ? A -31.004 8.916 16.150 1.000 1 A 36.290 1 ATOM 1329 H HB . THR 84 84 ? A -32.316 9.965 18.624 1.000 1 A 36.290 1 ATOM 1330 H HG1 . THR 84 84 ? A -34.323 10.196 17.626 1.000 1 A 36.290 1 ATOM 1331 H HG21 . THR 84 84 ? A -31.099 11.386 16.985 1.000 1 A 36.290 1 ATOM 1332 H HG22 . THR 84 84 ? A -32.794 11.874 17.175 1.000 1 A 36.290 1 ATOM 1333 H HG23 . THR 84 84 ? A -32.295 10.947 15.743 1.000 1 A 36.290 1 ATOM 1334 N N . CYS 85 85 ? A -29.126 8.294 17.756 1.000 1 A 38.700 1 ATOM 1335 C CA . CYS 85 85 ? A -28.045 8.139 18.724 1.000 1 A 38.700 1 ATOM 1336 C C . CYS 85 85 ? A -28.045 9.431 19.575 1.000 1 A 38.700 1 ATOM 1337 O O . CYS 85 85 ? A -27.577 10.488 19.136 1.000 1 A 38.700 1 ATOM 1338 C CB . CYS 85 85 ? A -26.681 7.838 18.052 1.000 1 A 38.700 1 ATOM 1339 S SG . CYS 85 85 ? A -26.504 6.705 16.606 1.000 1 A 38.700 1 ATOM 1340 H H . CYS 85 85 ? A -28.920 8.209 16.771 1.000 1 A 38.700 1 ATOM 1341 H HA . CYS 85 85 ? A -28.286 7.293 19.368 1.000 1 A 38.700 1 ATOM 1342 H HB2 . CYS 85 85 ? A -26.000 7.489 18.828 1.000 1 A 38.700 1 ATOM 1343 H HB3 . CYS 85 85 ? A -26.293 8.797 17.709 1.000 1 A 38.700 1 ATOM 1344 N N . LEU 86 86 ? A -28.676 9.375 20.754 1.000 1 A 38.460 1 ATOM 1345 C CA . LEU 86 86 ? A -28.806 10.504 21.664 1.000 1 A 38.460 1 ATOM 1346 C C . LEU 86 86 ? A -27.396 10.931 22.041 1.000 1 A 38.460 1 ATOM 1347 O O . LEU 86 86 ? A -26.635 10.206 22.679 1.000 1 A 38.460 1 ATOM 1348 C CB . LEU 86 86 ? A -29.659 10.132 22.892 1.000 1 A 38.460 1 ATOM 1349 C CG . LEU 86 86 ? A -31.177 10.203 22.637 1.000 1 A 38.460 1 ATOM 1350 C CD1 . LEU 86 86 ? A -31.925 9.443 23.730 1.000 1 A 38.460 1 ATOM 1351 C CD2 . LEU 86 86 ? A -31.686 11.649 22.635 1.000 1 A 38.460 1 ATOM 1352 H H . LEU 86 86 ? A -29.175 8.524 20.974 1.000 1 A 38.460 1 ATOM 1353 H HA . LEU 86 86 ? A -29.289 11.325 21.135 1.000 1 A 38.460 1 ATOM 1354 H HB2 . LEU 86 86 ? A -29.387 9.125 23.209 1.000 1 A 38.460 1 ATOM 1355 H HB3 . LEU 86 86 ? A -29.417 10.805 23.715 1.000 1 A 38.460 1 ATOM 1356 H HG . LEU 86 86 ? A -31.409 9.741 21.677 1.000 1 A 38.460 1 ATOM 1357 H HD11 . LEU 86 86 ? A -32.998 9.492 23.545 1.000 1 A 38.460 1 ATOM 1358 H HD12 . LEU 86 86 ? A -31.623 8.396 23.723 1.000 1 A 38.460 1 ATOM 1359 H HD13 . LEU 86 86 ? A -31.708 9.874 24.707 1.000 1 A 38.460 1 ATOM 1360 H HD21 . LEU 86 86 ? A -32.764 11.654 22.469 1.000 1 A 38.460 1 ATOM 1361 H HD22 . LEU 86 86 ? A -31.475 12.124 23.593 1.000 1 A 38.460 1 ATOM 1362 H HD23 . LEU 86 86 ? A -31.213 12.218 21.835 1.000 1 A 38.460 1 ATOM 1363 N N . ARG 87 87 ? A -27.033 12.116 21.562 1.000 1 A 38.700 1 ATOM 1364 C CA . ARG 87 87 ? A -25.781 12.787 21.866 1.000 1 A 38.700 1 ATOM 1365 C C . ARG 87 87 ? A -25.734 12.945 23.386 1.000 1 A 38.700 1 ATOM 1366 O O . ARG 87 87 ? A -26.386 13.838 23.914 1.000 1 A 38.700 1 ATOM 1367 C CB . ARG 87 87 ? A -25.812 14.118 21.088 1.000 1 A 38.700 1 ATOM 1368 C CG . ARG 87 87 ? A -24.474 14.855 20.973 1.000 1 A 38.700 1 ATOM 1369 C CD . ARG 87 87 ? A -24.720 16.179 20.230 1.000 1 A 38.700 1 ATOM 1370 N NE . ARG 87 87 ? A -23.472 16.921 19.955 1.000 1 A 38.700 1 ATOM 1371 C CZ . ARG 87 87 ? A -23.374 18.041 19.254 1.000 1 A 38.700 1 ATOM 1372 N NH1 . ARG 87 87 ? A -24.418 18.625 18.729 1.000 1 A 38.700 1 ATOM 1373 N NH2 . ARG 87 87 ? A -22.212 18.595 19.041 1.000 1 A 38.700 1 ATOM 1374 H H . ARG 87 87 ? A -27.707 12.587 20.976 1.000 1 A 38.700 1 ATOM 1375 H HA . ARG 87 87 ? A -24.949 12.163 21.541 1.000 1 A 38.700 1 ATOM 1376 H HB2 . ARG 87 87 ? A -26.551 14.779 21.540 1.000 1 A 38.700 1 ATOM 1377 H HB3 . ARG 87 87 ? A -26.148 13.905 20.073 1.000 1 A 38.700 1 ATOM 1378 H HG2 . ARG 87 87 ? A -24.079 15.059 21.968 1.000 1 A 38.700 1 ATOM 1379 H HG3 . ARG 87 87 ? A -23.767 14.238 20.418 1.000 1 A 38.700 1 ATOM 1380 H HD2 . ARG 87 87 ? A -25.228 15.962 19.291 1.000 1 A 38.700 1 ATOM 1381 H HD3 . ARG 87 87 ? A -25.380 16.795 20.842 1.000 1 A 38.700 1 ATOM 1382 H HE . ARG 87 87 ? A -22.633 16.569 20.394 1.000 1 A 38.700 1 ATOM 1383 H HH11 . ARG 87 87 ? A -24.346 19.535 18.298 1.000 1 A 38.700 1 ATOM 1384 H HH12 . ARG 87 87 ? A -25.337 18.279 18.966 1.000 1 A 38.700 1 ATOM 1385 H HH21 . ARG 87 87 ? A -21.395 18.240 19.516 1.000 1 A 38.700 1 ATOM 1386 H HH22 . ARG 87 87 ? A -22.164 19.517 18.632 1.000 1 A 38.700 1 ATOM 1387 N N . PHE 88 88 ? A -24.977 12.097 24.081 1.000 1 A 41.200 1 ATOM 1388 C CA . PHE 88 88 ? A -24.577 12.375 25.457 1.000 1 A 41.200 1 ATOM 1389 C C . PHE 88 88 ? A -23.703 13.633 25.408 1.000 1 A 41.200 1 ATOM 1390 O O . PHE 88 88 ? A -22.495 13.575 25.186 1.000 1 A 41.200 1 ATOM 1391 C CB . PHE 88 88 ? A -23.875 11.162 26.102 1.000 1 A 41.200 1 ATOM 1392 C CG . PHE 88 88 ? A -24.792 10.292 26.946 1.000 1 A 41.200 1 ATOM 1393 C CD1 . PHE 88 88 ? A -24.917 10.535 28.330 1.000 1 A 41.200 1 ATOM 1394 C CD2 . PHE 88 88 ? A -25.528 9.247 26.359 1.000 1 A 41.200 1 ATOM 1395 C CE1 . PHE 88 88 ? A -25.761 9.732 29.120 1.000 1 A 41.200 1 ATOM 1396 C CE2 . PHE 88 88 ? A -26.375 8.450 27.149 1.000 1 A 41.200 1 ATOM 1397 C CZ . PHE 88 88 ? A -26.490 8.685 28.530 1.000 1 A 41.200 1 ATOM 1398 H H . PHE 88 88 ? A -24.641 11.258 23.631 1.000 1 A 41.200 1 ATOM 1399 H HA . PHE 88 88 ? A -25.460 12.606 26.052 1.000 1 A 41.200 1 ATOM 1400 H HB2 . PHE 88 88 ? A -23.082 11.523 26.757 1.000 1 A 41.200 1 ATOM 1401 H HB3 . PHE 88 88 ? A -23.397 10.555 25.334 1.000 1 A 41.200 1 ATOM 1402 H HD1 . PHE 88 88 ? A -24.366 11.342 28.789 1.000 1 A 41.200 1 ATOM 1403 H HD2 . PHE 88 88 ? A -25.453 9.055 25.298 1.000 1 A 41.200 1 ATOM 1404 H HE1 . PHE 88 88 ? A -25.856 9.923 30.179 1.000 1 A 41.200 1 ATOM 1405 H HE2 . PHE 88 88 ? A -26.941 7.655 26.686 1.000 1 A 41.200 1 ATOM 1406 H HZ . PHE 88 88 ? A -27.142 8.068 29.130 1.000 1 A 41.200 1 ATOM 1407 N N . GLN 89 89 ? A -24.341 14.800 25.528 1.000 1 A 37.040 1 ATOM 1408 C CA . GLN 89 89 ? A -23.676 15.980 26.049 1.000 1 A 37.040 1 ATOM 1409 C C . GLN 89 89 ? A -23.217 15.577 27.442 1.000 1 A 37.040 1 ATOM 1410 O O . GLN 89 89 ? A -24.030 15.239 28.299 1.000 1 A 37.040 1 ATOM 1411 C CB . GLN 89 89 ? A -24.625 17.188 26.085 1.000 1 A 37.040 1 ATOM 1412 C CG . GLN 89 89 ? A -24.666 17.914 24.731 1.000 1 A 37.040 1 ATOM 1413 C CD . GLN 89 89 ? A -25.627 19.102 24.725 1.000 1 A 37.040 1 ATOM 1414 O OE1 . GLN 89 89 ? A -26.532 19.225 25.522 1.000 1 A 37.040 1 ATOM 1415 N NE2 . GLN 89 89 ? A -25.490 20.030 23.802 1.000 1 A 37.040 1 ATOM 1416 H H . GLN 89 89 ? A -25.349 14.776 25.577 1.000 1 A 37.040 1 ATOM 1417 H HA . GLN 89 89 ? A -22.802 16.219 25.444 1.000 1 A 37.040 1 ATOM 1418 H HB2 . GLN 89 89 ? A -24.268 17.894 26.834 1.000 1 A 37.040 1 ATOM 1419 H HB3 . GLN 89 89 ? A -25.625 16.862 26.371 1.000 1 A 37.040 1 ATOM 1420 H HG2 . GLN 89 89 ? A -23.665 18.272 24.492 1.000 1 A 37.040 1 ATOM 1421 H HG3 . GLN 89 89 ? A -24.982 17.217 23.955 1.000 1 A 37.040 1 ATOM 1422 H HE21 . GLN 89 89 ? A -24.661 20.080 23.227 1.000 1 A 37.040 1 ATOM 1423 H HE22 . GLN 89 89 ? A -26.131 20.802 23.912 1.000 1 A 37.040 1 ATOM 1424 N N . SER 90 90 ? A -21.900 15.508 27.599 1.000 1 A 41.480 1 ATOM 1425 C CA . SER 90 90 ? A -21.210 15.383 28.870 1.000 1 A 41.480 1 ATOM 1426 C C . SER 90 90 ? A -21.969 16.158 29.939 1.000 1 A 41.480 1 ATOM 1427 O O . SER 90 90 ? A -21.992 17.389 29.912 1.000 1 A 41.480 1 ATOM 1428 C CB . SER 90 90 ? A -19.802 15.968 28.698 1.000 1 A 41.480 1 ATOM 1429 O OG . SER 90 90 ? A -19.876 17.221 28.036 1.000 1 A 41.480 1 ATOM 1430 H H . SER 90 90 ? A -21.321 15.769 26.814 1.000 1 A 41.480 1 ATOM 1431 H HA . SER 90 90 ? A -21.136 14.334 29.157 1.000 1 A 41.480 1 ATOM 1432 H HB2 . SER 90 90 ? A -19.202 15.285 28.097 1.000 1 A 41.480 1 ATOM 1433 H HB3 . SER 90 90 ? A -19.328 16.088 29.672 1.000 1 A 41.480 1 ATOM 1434 H HG . SER 90 90 ? A -20.405 17.797 28.592 1.000 1 A 41.480 1 ATOM 1435 N N . TYR 91 91 ? A -22.601 15.426 30.854 1.000 1 A 35.670 1 ATOM 1436 C CA . TYR 91 91 ? A -23.045 15.985 32.116 1.000 1 A 35.670 1 ATOM 1437 C C . TYR 91 91 ? A -21.796 16.599 32.745 1.000 1 A 35.670 1 ATOM 1438 O O . TYR 91 91 ? A -20.841 15.889 33.073 1.000 1 A 35.670 1 ATOM 1439 C CB . TYR 91 91 ? A -23.682 14.889 32.989 1.000 1 A 35.670 1 ATOM 1440 C CG . TYR 91 91 ? A -25.060 15.242 33.507 1.000 1 A 35.670 1 ATOM 1441 C CD1 . TYR 91 91 ? A -25.208 15.844 34.772 1.000 1 A 35.670 1 ATOM 1442 C CD2 . TYR 91 91 ? A -26.197 14.961 32.723 1.000 1 A 35.670 1 ATOM 1443 C CE1 . TYR 91 91 ? A -26.493 16.145 35.264 1.000 1 A 35.670 1 ATOM 1444 C CE2 . TYR 91 91 ? A -27.482 15.258 33.214 1.000 1 A 35.670 1 ATOM 1445 C CZ . TYR 91 91 ? A -27.633 15.847 34.486 1.000 1 A 35.670 1 ATOM 1446 O OH . TYR 91 91 ? A -28.878 16.128 34.951 1.000 1 A 35.670 1 ATOM 1447 H H . TYR 91 91 ? A -22.635 14.422 30.742 1.000 1 A 35.670 1 ATOM 1448 H HA . TYR 91 91 ? A -23.780 16.766 31.923 1.000 1 A 35.670 1 ATOM 1449 H HB2 . TYR 91 91 ? A -23.767 13.964 32.419 1.000 1 A 35.670 1 ATOM 1450 H HB3 . TYR 91 91 ? A -23.036 14.670 33.840 1.000 1 A 35.670 1 ATOM 1451 H HD1 . TYR 91 91 ? A -24.339 16.086 35.365 1.000 1 A 35.670 1 ATOM 1452 H HD2 . TYR 91 91 ? A -26.085 14.520 31.743 1.000 1 A 35.670 1 ATOM 1453 H HE1 . TYR 91 91 ? A -26.603 16.613 36.232 1.000 1 A 35.670 1 ATOM 1454 H HE2 . TYR 91 91 ? A -28.362 15.050 32.623 1.000 1 A 35.670 1 ATOM 1455 H HH . TYR 91 91 ? A -28.854 16.575 35.801 1.000 1 A 35.670 1 ATOM 1456 N N . HIS 92 92 ? A -21.772 17.928 32.790 1.000 1 A 35.870 1 ATOM 1457 C CA . HIS 92 92 ? A -20.779 18.696 33.513 1.000 1 A 35.870 1 ATOM 1458 C C . HIS 92 92 ? A -20.676 18.115 34.927 1.000 1 A 35.870 1 ATOM 1459 O O . HIS 92 92 ? A -21.644 18.118 35.682 1.000 1 A 35.870 1 ATOM 1460 C CB . HIS 92 92 ? A -21.214 20.174 33.535 1.000 1 A 35.870 1 ATOM 1461 C CG . HIS 92 92 ? A -20.463 21.052 32.567 1.000 1 A 35.870 1 ATOM 1462 N ND1 . HIS 92 92 ? A -19.398 21.857 32.901 1.000 1 A 35.870 1 ATOM 1463 C CD2 . HIS 92 92 ? A -20.724 21.258 31.238 1.000 1 A 35.870 1 ATOM 1464 C CE1 . HIS 92 92 ? A -19.024 22.531 31.801 1.000 1 A 35.870 1 ATOM 1465 N NE2 . HIS 92 92 ? A -19.796 22.189 30.757 1.000 1 A 35.870 1 ATOM 1466 H H . HIS 92 92 ? A -22.560 18.431 32.410 1.000 1 A 35.870 1 ATOM 1467 H HA . HIS 92 92 ? A -19.811 18.613 33.018 1.000 1 A 35.870 1 ATOM 1468 H HB2 . HIS 92 92 ? A -21.037 20.576 34.533 1.000 1 A 35.870 1 ATOM 1469 H HB3 . HIS 92 92 ? A -22.285 20.265 33.353 1.000 1 A 35.870 1 ATOM 1470 H HD1 . HIS 92 92 ? A -19.034 22.003 33.832 1.000 1 A 35.870 1 ATOM 1471 H HD2 . HIS 92 92 ? A -21.514 20.796 30.665 1.000 1 A 35.870 1 ATOM 1472 H HE1 . HIS 92 92 ? A -18.232 23.264 31.762 1.000 1 A 35.870 1 ATOM 1473 N N . ARG 93 93 ? A -19.502 17.583 35.270 1.000 1 A 34.440 1 ATOM 1474 C CA . ARG 93 93 ? A -19.052 17.502 36.657 1.000 1 A 34.440 1 ATOM 1475 C C . ARG 93 93 ? A -18.329 18.811 36.955 1.000 1 A 34.440 1 ATOM 1476 O O . ARG 93 93 ? A -17.123 18.855 36.745 1.000 1 A 34.440 1 ATOM 1477 C CB . ARG 93 93 ? A -18.112 16.302 36.879 1.000 1 A 34.440 1 ATOM 1478 C CG . ARG 93 93 ? A -18.817 14.970 37.144 1.000 1 A 34.440 1 ATOM 1479 C CD . ARG 93 93 ? A -17.742 13.931 37.497 1.000 1 A 34.440 1 ATOM 1480 N NE . ARG 93 93 ? A -18.319 12.639 37.910 1.000 1 A 34.440 1 ATOM 1481 C CZ . ARG 93 93 ? A -17.642 11.529 38.148 1.000 1 A 34.440 1 ATOM 1482 N NH1 . ARG 93 93 ? A -16.347 11.464 37.999 1.000 1 A 34.440 1 ATOM 1483 N NH2 . ARG 93 93 ? A -18.257 10.451 38.547 1.000 1 A 34.440 1 ATOM 1484 H H . ARG 93 93 ? A -18.791 17.530 34.554 1.000 1 A 34.440 1 ATOM 1485 H HA . ARG 93 93 ? A -19.899 17.443 37.341 1.000 1 A 34.440 1 ATOM 1486 H HB2 . ARG 93 93 ? A -17.438 16.201 36.028 1.000 1 A 34.440 1 ATOM 1487 H HB3 . ARG 93 93 ? A -17.504 16.518 37.757 1.000 1 A 34.440 1 ATOM 1488 H HG2 . ARG 93 93 ? A -19.370 14.659 36.258 1.000 1 A 34.440 1 ATOM 1489 H HG3 . ARG 93 93 ? A -19.504 15.086 37.983 1.000 1 A 34.440 1 ATOM 1490 H HD2 . ARG 93 93 ? A -17.135 14.321 38.314 1.000 1 A 34.440 1 ATOM 1491 H HD3 . ARG 93 93 ? A -17.103 13.789 36.625 1.000 1 A 34.440 1 ATOM 1492 H HE . ARG 93 93 ? A -19.317 12.621 38.063 1.000 1 A 34.440 1 ATOM 1493 H HH11 . ARG 93 93 ? A -15.837 10.619 38.216 1.000 1 A 34.440 1 ATOM 1494 H HH12 . ARG 93 93 ? A -15.852 12.302 37.729 1.000 1 A 34.440 1 ATOM 1495 H HH21 . ARG 93 93 ? A -19.252 10.471 38.717 1.000 1 A 34.440 1 ATOM 1496 H HH22 . ARG 93 93 ? A -17.732 9.613 38.753 1.000 1 A 34.440 1 ATOM 1497 N N . VAL 94 94 ? A -19.078 19.837 37.354 1.000 1 A 33.820 1 ATOM 1498 C CA . VAL 94 94 ? A -18.756 20.824 38.408 1.000 1 A 33.820 1 ATOM 1499 C C . VAL 94 94 ? A -20.090 21.353 38.912 1.000 1 A 33.820 1 ATOM 1500 O O . VAL 94 94 ? A -20.888 21.773 38.045 1.000 1 A 33.820 1 ATOM 1501 C CB . VAL 94 94 ? A -17.870 22.012 37.989 1.000 1 A 33.820 1 ATOM 1502 C CG1 . VAL 94 94 ? A -17.492 22.819 39.241 1.000 1 A 33.820 1 ATOM 1503 C CG2 . VAL 94 94 ? A -16.543 21.617 37.335 1.000 1 A 33.820 1 ATOM 1504 O OXT . VAL 94 94 ? A -20.293 21.224 40.132 1.000 1 A 33.820 1 ATOM 1505 H H . VAL 94 94 ? A -20.076 19.747 37.228 1.000 1 A 33.820 1 ATOM 1506 H HA . VAL 94 94 ? A -18.288 20.320 39.253 1.000 1 A 33.820 1 ATOM 1507 H HB . VAL 94 94 ? A -18.420 22.656 37.302 1.000 1 A 33.820 1 ATOM 1508 H HG11 . VAL 94 94 ? A -16.952 22.189 39.947 1.000 1 A 33.820 1 ATOM 1509 H HG12 . VAL 94 94 ? A -16.874 23.675 38.968 1.000 1 A 33.820 1 ATOM 1510 H HG13 . VAL 94 94 ? A -18.391 23.198 39.728 1.000 1 A 33.820 1 ATOM 1511 H HG21 . VAL 94 94 ? A -16.032 20.871 37.943 1.000 1 A 33.820 1 ATOM 1512 H HG22 . VAL 94 94 ? A -15.902 22.492 37.230 1.000 1 A 33.820 1 ATOM 1513 H HG23 . VAL 94 94 ? A -16.732 21.230 36.333 1.000 1 A 33.820 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 53.553 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 62.620 2 1 A 2 LEU 2 79.480 3 1 A 3 LEU 2 88.750 4 1 A 4 GLU 2 87.410 5 1 A 5 GLU 2 87.110 6 1 A 6 VAL 2 88.290 7 1 A 7 ILE 2 91.890 8 1 A 8 LEU 2 93.620 9 1 A 9 ILE 2 92.880 10 1 A 10 ALA 2 92.520 11 1 A 11 LEU 2 95.860 12 1 A 12 ILE 2 95.330 13 1 A 13 LEU 2 95.690 14 1 A 14 ILE 2 95.070 15 1 A 15 TRP 2 95.720 16 1 A 16 ILE 2 94.810 17 1 A 17 ALA 2 92.880 18 1 A 18 ILE 2 92.150 19 1 A 19 ILE 2 90.310 20 1 A 20 LEU 2 89.750 21 1 A 21 TYR 2 85.530 22 1 A 22 SER 2 81.110 23 1 A 23 THR 2 79.550 24 1 A 24 ILE 2 75.120 25 1 A 25 GLN 2 61.290 26 1 A 26 ILE 2 57.500 27 1 A 27 LYS 2 55.830 28 1 A 28 ILE 2 54.300 29 1 A 29 LYS 2 45.060 30 1 A 30 PRO 2 45.850 31 1 A 31 PHE 2 45.170 32 1 A 32 SER 2 41.920 33 1 A 33 SER 2 38.850 34 1 A 34 SER 2 41.660 35 1 A 35 VAL 2 40.020 36 1 A 36 SER 2 38.900 37 1 A 37 HIS 2 39.440 38 1 A 38 LYS 2 40.320 39 1 A 39 CYS 2 38.860 40 1 A 40 GLY 2 40.290 41 1 A 41 CYS 2 39.770 42 1 A 42 GLY 2 41.710 43 1 A 43 HIS 2 39.240 44 1 A 44 HIS 2 42.210 45 1 A 45 ALA 2 35.240 46 1 A 46 SER 2 37.590 47 1 A 47 ASN 2 44.890 48 1 A 48 GLU 2 43.410 49 1 A 49 SER 2 39.770 50 1 A 50 PRO 2 46.960 51 1 A 51 ARG 2 43.960 52 1 A 52 PRO 2 46.430 53 1 A 53 GLY 2 44.950 54 1 A 54 PHE 2 43.310 55 1 A 55 HIS 2 47.850 56 1 A 56 ARG 2 43.870 57 1 A 57 CYS 2 42.110 58 1 A 58 GLU 2 43.060 59 1 A 59 TYR 2 39.640 60 1 A 60 ASP 2 40.470 61 1 A 61 HIS 2 37.040 62 1 A 62 PRO 2 40.460 63 1 A 63 ARG 2 39.310 64 1 A 64 PHE 2 37.200 65 1 A 65 GLU 2 32.820 66 1 A 66 ARG 2 37.610 67 1 A 67 THR 2 38.420 68 1 A 68 TYR 2 37.680 69 1 A 69 SER 2 42.810 70 1 A 70 CYS 2 38.250 71 1 A 71 ASN 2 41.710 72 1 A 72 ARG 2 44.400 73 1 A 73 HIS 2 44.130 74 1 A 74 SER 2 44.630 75 1 A 75 CYS 2 44.530 76 1 A 76 ILE 2 42.040 77 1 A 77 SER 2 46.370 78 1 A 78 CYS 2 43.880 79 1 A 79 CYS 2 39.350 80 1 A 80 SER 2 36.720 81 1 A 81 PRO 2 40.270 82 1 A 82 HIS 2 37.950 83 1 A 83 GLN 2 39.550 84 1 A 84 THR 2 36.290 85 1 A 85 CYS 2 38.700 86 1 A 86 LEU 2 38.460 87 1 A 87 ARG 2 38.700 88 1 A 88 PHE 2 41.200 89 1 A 89 GLN 2 37.040 90 1 A 90 SER 2 41.480 91 1 A 91 TYR 2 35.670 92 1 A 92 HIS 2 35.870 93 1 A 93 ARG 2 34.440 94 1 A 94 VAL 2 33.820 _database_2.database_id ModelArchive _database_2.database_code ma-asfv-asfvg-001 _database_2.pdbx_DOI 10.5452/ma-asfv-asfvg-001 _pdbx_database_status.entry_id ma-asfv-asfvg-001 _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'