data_c30642_6pv1 save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID c30642_6pv1 _Entry.Title ; Backbone-modified variant of zinc finger 2 from the transcription factor Sp1 DNA binding domain: Aib in the metal-binding turn ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-07-19 _Entry.Accession_date 2019-07-19 _Entry.Last_release_date 2019-09-11 _Entry.Original_release_date 2019-09-11 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' c30642_6pv1 stop_ loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 S. Rao S. R. . . c30642_6pv1 2 W. Horne W. S. . . c30642_6pv1 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'DNA BINDING PROTEIN' . c30642_6pv1 foldamer . c30642_6pv1 proteomimetic . c30642_6pv1 'zinc finger' . c30642_6pv1 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 c30642_6pv1 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 207 c30642_6pv1 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2020-06-19 . original BMRB . c30642_6pv1 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6PV1 . c30642_6pv1 stop_ save_ save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID c30642_6pv1 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Backbone-modified variant of zinc finger 2 from the transcription factor Sp1 DNA binding domain: Aib in the metal-binding turn ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 S. Rao S. R. . . c30642_6pv1 1 2 W. Horne W. S. . . c30642_6pv1 1 stop_ save_ save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID c30642_6pv1 _Assembly.ID 1 _Assembly.Name 'Transcription factor Sp1' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . . . c30642_6pv1 1 2 'ZINC ION' 2 $entity_ZN B A no . . . . . . c30642_6pv1 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 coordination single . 1 . 1 CYS 5 5 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . . . c30642_6pv1 1 2 coordination single . 1 . 1 CYS 10 10 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . . . c30642_6pv1 1 3 coordination single . 1 . 1 HIS 23 23 NE2 . 2 . 2 ZN 1 1 ZN . . . . . . . . . . . . c30642_6pv1 1 4 coordination single . 1 . 1 HIS 27 27 NE2 . 2 . 2 ZN 1 1 ZN . . . . . . . . . . . . c30642_6pv1 1 stop_ save_ save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID c30642_6pv1 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; RPFXCTWXGCGKRFTRSDEL QRHKRTHTGEKX ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer yes _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 32 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all other bound' _Entity.Src_method syn _Entity.Parent_entity_ID 1 _Entity.Fragment 'DNA-binding domain, zinc finger 2 residues 654-684' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 3725.295 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ARG . c30642_6pv1 1 2 . PRO . c30642_6pv1 1 3 . PHE . c30642_6pv1 1 4 . NLE . c30642_6pv1 1 5 . CYS . c30642_6pv1 1 6 . THR . c30642_6pv1 1 7 . TRP . c30642_6pv1 1 8 . AIB . c30642_6pv1 1 9 . GLY . c30642_6pv1 1 10 . CYS . c30642_6pv1 1 11 . GLY . c30642_6pv1 1 12 . LYS . c30642_6pv1 1 13 . ARG . c30642_6pv1 1 14 . PHE . c30642_6pv1 1 15 . THR . c30642_6pv1 1 16 . ARG . c30642_6pv1 1 17 . SER . c30642_6pv1 1 18 . ASP . c30642_6pv1 1 19 . GLU . c30642_6pv1 1 20 . LEU . c30642_6pv1 1 21 . GLN . c30642_6pv1 1 22 . ARG . c30642_6pv1 1 23 . HIS . c30642_6pv1 1 24 . LYS . c30642_6pv1 1 25 . ARG . c30642_6pv1 1 26 . THR . c30642_6pv1 1 27 . HIS . c30642_6pv1 1 28 . THR . c30642_6pv1 1 29 . GLY . c30642_6pv1 1 30 . GLU . c30642_6pv1 1 31 . LYS . c30642_6pv1 1 32 . NH2 . c30642_6pv1 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . ARG 1 1 c30642_6pv1 1 . PRO 2 2 c30642_6pv1 1 . PHE 3 3 c30642_6pv1 1 . NLE 4 4 c30642_6pv1 1 . CYS 5 5 c30642_6pv1 1 . THR 6 6 c30642_6pv1 1 . TRP 7 7 c30642_6pv1 1 . AIB 8 8 c30642_6pv1 1 . GLY 9 9 c30642_6pv1 1 . CYS 10 10 c30642_6pv1 1 . GLY 11 11 c30642_6pv1 1 . LYS 12 12 c30642_6pv1 1 . ARG 13 13 c30642_6pv1 1 . PHE 14 14 c30642_6pv1 1 . THR 15 15 c30642_6pv1 1 . ARG 16 16 c30642_6pv1 1 . SER 17 17 c30642_6pv1 1 . ASP 18 18 c30642_6pv1 1 . GLU 19 19 c30642_6pv1 1 . LEU 20 20 c30642_6pv1 1 . GLN 21 21 c30642_6pv1 1 . ARG 22 22 c30642_6pv1 1 . HIS 23 23 c30642_6pv1 1 . LYS 24 24 c30642_6pv1 1 . ARG 25 25 c30642_6pv1 1 . THR 26 26 c30642_6pv1 1 . HIS 27 27 c30642_6pv1 1 . THR 28 28 c30642_6pv1 1 . GLY 29 29 c30642_6pv1 1 . GLU 30 30 c30642_6pv1 1 . LYS 31 31 c30642_6pv1 1 . NH2 32 32 c30642_6pv1 1 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID c30642_6pv1 _Entity.ID 2 _Entity.BMRB_code ZN _Entity.Name entity_ZN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 65.409 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ZINC ION' BMRB c30642_6pv1 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'ZINC ION' BMRB c30642_6pv1 2 ZN 'Three letter code' c30642_6pv1 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 ZN $chem_comp_ZN c30642_6pv1 2 stop_ save_ save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID c30642_6pv1 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . c30642_6pv1 1 stop_ save_ save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID c30642_6pv1 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'chemical synthesis' . . . . . . . . . . . . . . . . c30642_6pv1 1 stop_ save_ save_chem_comp_AIB _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_AIB _Chem_comp.Entry_ID c30642_6pv1 _Chem_comp.ID AIB _Chem_comp.Provenance PDB _Chem_comp.Name 'ALPHA-AMINOISOBUTYRIC ACID' _Chem_comp.Type 'L-PEPTIDE LINKING' _Chem_comp.BMRB_code AIB _Chem_comp.PDB_code AIB _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code A _Chem_comp.Three_letter_code AIB _Chem_comp.Number_atoms_all 16 _Chem_comp.Number_atoms_nh 7 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C4H9NO2/c1-4(2,5)3(6)7/h5H2,1-2H3,(H,6,7) _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID ALA _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C4 H9 N O2' _Chem_comp.Formula_weight 103.120 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1AMT _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID CC(C)(C(=O)O)N SMILES 'OpenEye OEToolkits' 1.5.0 c30642_6pv1 AIB CC(C)(C(=O)O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 c30642_6pv1 AIB CC(C)(N)C(O)=O SMILES CACTVS 3.341 c30642_6pv1 AIB CC(C)(N)C(O)=O SMILES_CANONICAL CACTVS 3.341 c30642_6pv1 AIB FUOOLUPWFVMBKG-UHFFFAOYSA-N InChIKey InChI 1.03 c30642_6pv1 AIB InChI=1S/C4H9NO2/c1-4(2,5)3(6)7/h5H2,1-2H3,(H,6,7) InChI InChI 1.03 c30642_6pv1 AIB O=C(O)C(N)(C)C SMILES ACDLabs 10.04 c30642_6pv1 AIB stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '2-amino-2-methyl-propanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 c30642_6pv1 AIB 2-methyl-L-alanine 'SYSTEMATIC NAME' ACDLabs 10.04 c30642_6pv1 AIB stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID N N N N . N . . N 0 . . . 1 no no . . . . 48.065 . 2.462 . -1.964 . -1.298 0.711 0.969 1 . c30642_6pv1 AIB CA CA CA CA . C . . N 0 . . . 1 no no . . . . 46.920 . 3.266 . -2.573 . -0.053 0.002 0.646 2 . c30642_6pv1 AIB C C C C . C . . N 0 . . . 1 no no . . . . 45.865 . 2.301 . -3.116 . 0.144 -0.009 -0.847 3 . c30642_6pv1 AIB O O O O1 . O . . N 0 . . . 1 no no . . . . 44.700 . 2.587 . -2.746 . 1.261 -0.025 -1.308 4 . c30642_6pv1 AIB OXT OXT OXT O2 . O . . N 0 . . . 1 no yes . . . . 46.136 . 1.294 . -3.808 . -0.919 -0.003 -1.665 5 . c30642_6pv1 AIB CB1 CB1 CB1 CB1 . C . . N 0 . . . 1 no no . . . . 47.457 . 4.132 . -3.656 . 1.126 0.715 1.311 6 . c30642_6pv1 AIB CB2 CB2 CB2 CB2 . C . . N 0 . . . 1 no no . . . . 46.329 . 4.215 . -1.516 . -0.136 -1.435 1.161 7 . c30642_6pv1 AIB H H H 1HN . H . . N 0 . . . 1 no no . . . . 48.768 . 3.105 . -1.601 . -1.199 1.649 0.612 8 . c30642_6pv1 AIB H2 H2 H2 2HN . H . . N 0 . . . 1 no yes . . . . 48.457 . 1.787 . -2.620 . -2.030 0.272 0.430 9 . c30642_6pv1 AIB HO2 HO2 HO2 HO2 . H . . N 0 . . . 1 no no . . . . 45.480 . 0.694 . -4.145 . -0.792 -0.010 -2.624 10 . c30642_6pv1 AIB HB11 HB11 HB11 1HB1 . H . . N 0 . . . 0 no no . . . . 46.620 . 4.719 . -4.101 . 0.983 0.723 2.391 11 . c30642_6pv1 AIB HB12 HB12 HB12 2HB1 . H . . N 0 . . . 0 no no . . . . 48.291 . 4.782 . -3.304 . 2.050 0.189 1.071 12 . c30642_6pv1 AIB HB13 HB13 HB13 3HB1 . H . . N 0 . . . 0 no no . . . . 48.022 . 3.551 . -4.422 . 1.185 1.739 0.944 13 . c30642_6pv1 AIB HB21 HB21 HB21 1HB2 . H . . N 0 . . . 0 no no . . . . 45.492 . 4.802 . -1.961 . 0.787 -1.961 0.921 14 . c30642_6pv1 AIB HB22 HB22 HB22 2HB2 . H . . N 0 . . . 0 no no . . . . 46.015 . 3.672 . -0.593 . -0.279 -1.426 2.242 15 . c30642_6pv1 AIB HB23 HB23 HB23 3HB2 . H . . N 0 . . . 0 no no . . . . 47.106 . 4.871 . -1.060 . -0.976 -1.943 0.687 16 . c30642_6pv1 AIB stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING N CA no N 1 . c30642_6pv1 AIB 2 . SING N H no N 2 . c30642_6pv1 AIB 3 . SING N H2 no N 3 . c30642_6pv1 AIB 4 . SING CA C no N 4 . c30642_6pv1 AIB 5 . SING CA CB1 no N 5 . c30642_6pv1 AIB 6 . SING CA CB2 no N 6 . c30642_6pv1 AIB 7 . DOUB C O no N 7 . c30642_6pv1 AIB 8 . SING C OXT no N 8 . c30642_6pv1 AIB 9 . SING OXT HO2 no N 9 . c30642_6pv1 AIB 10 . SING CB1 HB11 no N 10 . c30642_6pv1 AIB 11 . SING CB1 HB12 no N 11 . c30642_6pv1 AIB 12 . SING CB1 HB13 no N 12 . c30642_6pv1 AIB 13 . SING CB2 HB21 no N 13 . c30642_6pv1 AIB 14 . SING CB2 HB22 no N 14 . c30642_6pv1 AIB 15 . SING CB2 HB23 no N 15 . c30642_6pv1 AIB stop_ save_ save_chem_comp_NH2 _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_NH2 _Chem_comp.Entry_ID c30642_6pv1 _Chem_comp.ID NH2 _Chem_comp.Provenance PDB _Chem_comp.Name 'AMINO GROUP' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code NH2 _Chem_comp.PDB_code NH2 _Chem_comp.Ambiguous_flag yes _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code NH2 _Chem_comp.Number_atoms_all 3 _Chem_comp.Number_atoms_nh 1 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1/H3N/h1H3 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'H2 N' _Chem_comp.Formula_weight 16.023 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details 'OpenEye OEToolkits' _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 2FLY _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1/H3N/h1H3 InChI InChI 1.02b c30642_6pv1 NH2 N SMILES ACDLabs 10.04 c30642_6pv1 NH2 QGZKDVFQNNGYKY-UHFFFAOYAF InChIKey InChI 1.02b c30642_6pv1 NH2 [NH2] SMILES CACTVS 3.341 c30642_6pv1 NH2 [NH2] SMILES 'OpenEye OEToolkits' 1.5.0 c30642_6pv1 NH2 [NH2] SMILES_CANONICAL CACTVS 3.341 c30642_6pv1 NH2 [NH2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 c30642_6pv1 NH2 stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID ammonia 'SYSTEMATIC NAME' ACDLabs 10.04 c30642_6pv1 NH2 l^{2}-azane 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 c30642_6pv1 NH2 stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID N N N N . N . . N 0 . . . 1 no no . . . . 10.091 . 8.978 . -7.810 . 0.000 0.000 0.000 1 . c30642_6pv1 NH2 HN1 HN1 HN1 1HN . H . . N 0 . . . 1 no no . . . . 9.517 . 8.769 . -7.044 . -0.385 -0.545 -0.771 2 . c30642_6pv1 NH2 HN2 HN2 HN2 2HN . H . . N 0 . . . 1 no no . . . . 10.323 . 9.890 . -8.082 . 1.020 0.000 0.000 3 . c30642_6pv1 NH2 stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING N HN1 no N 1 . c30642_6pv1 NH2 2 . SING N HN2 no N 2 . c30642_6pv1 NH2 stop_ save_ save_chem_comp_NLE _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_NLE _Chem_comp.Entry_ID c30642_6pv1 _Chem_comp.ID NLE _Chem_comp.Provenance PDB _Chem_comp.Name NORLEUCINE _Chem_comp.Type 'L-PEPTIDE LINKING' _Chem_comp.BMRB_code NLE _Chem_comp.PDB_code NLE _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code L _Chem_comp.Three_letter_code NLE _Chem_comp.Number_atoms_all 22 _Chem_comp.Number_atoms_nh 9 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C6H13NO2/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID LEU _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C6 H13 N O2' _Chem_comp.Formula_weight 131.173 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details Corina _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site EBI _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID CCCCC(C(=O)O)N SMILES 'OpenEye OEToolkits' 1.5.0 c30642_6pv1 NLE CCCC[C@@H](C(=O)O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 c30642_6pv1 NLE CCCC[C@H](N)C(O)=O SMILES_CANONICAL CACTVS 3.341 c30642_6pv1 NLE CCCC[CH](N)C(O)=O SMILES CACTVS 3.341 c30642_6pv1 NLE InChI=1S/C6H13NO2/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1 InChI InChI 1.03 c30642_6pv1 NLE LRQKBLKVPFOOQJ-YFKPBYRVSA-N InChIKey InChI 1.03 c30642_6pv1 NLE O=C(O)C(N)CCCC SMILES ACDLabs 10.04 c30642_6pv1 NLE stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '(2S)-2-aminohexanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 c30642_6pv1 NLE L-norleucine 'SYSTEMATIC NAME' ACDLabs 10.04 c30642_6pv1 NLE stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID N N N N . N . . N 0 . . . 1 no no . . . . 16.557 . 39.518 . 17.898 . 0.720 1.773 0.288 1 . c30642_6pv1 NLE CA CA CA CA . C . . S 0 . . . 1 no no . . . . 15.812 . 40.611 . 17.285 . 0.763 0.319 0.492 2 . c30642_6pv1 NLE C C C C . C . . N 0 . . . 1 no no . . . . 16.773 . 41.690 . 16.789 . 2.084 -0.218 0.003 3 . c30642_6pv1 NLE O O O O . O . . N 0 . . . 1 no no . . . . 16.479 . 42.322 . 15.753 . 2.747 0.426 -0.776 4 . c30642_6pv1 NLE OXT OXT OXT OXT . O . . N 0 . . . 1 no yes . . . . 17.818 . 41.883 . 17.441 . 2.524 -1.411 0.433 5 . c30642_6pv1 NLE CB CB CB CB . C . . N 0 . . . 1 no no . . . . 14.816 . 41.205 . 18.283 . -0.375 -0.340 -0.289 6 . c30642_6pv1 NLE CG CG CG CG . C . . N 0 . . . 1 no no . . . . 13.697 . 40.254 . 18.678 . -1.718 0.110 0.290 7 . c30642_6pv1 NLE CD CD CD CD . C . . N 0 . . . 1 no no . . . . 12.730 . 40.911 . 19.645 . -2.857 -0.549 -0.491 8 . c30642_6pv1 NLE CE CE CE CE . C . . N 0 . . . 1 no no . . . . 11.636 . 39.956 . 20.071 . -4.200 -0.099 0.087 9 . c30642_6pv1 NLE H H H 1HN . H . . N 0 . . . 1 no no . . . . 16.728 . 38.807 . 17.216 . 0.822 2.004 -0.689 10 . c30642_6pv1 NLE HN2 HN2 HN2 2HN . H . . N 0 . . . 1 no yes . . . . 17.429 . 39.863 . 18.245 . -0.129 2.166 0.666 11 . c30642_6pv1 NLE HA HA HA HA . H . . N 0 . . . 1 no no . . . . 15.250 . 40.215 . 16.426 . 0.652 0.097 1.553 12 . c30642_6pv1 NLE HXT HXT HXT HXT . H . . N 0 . . . 1 no yes . . . . 18.329 . 42.568 . 17.026 . 3.377 -1.713 0.092 13 . c30642_6pv1 NLE HB2 HB2 HB2 1HB . H . . N 0 . . . 1 no no . . . . 15.369 . 41.477 . 19.194 . -0.315 -0.046 -1.337 14 . c30642_6pv1 NLE HB3 HB3 HB3 2HB . H . . N 0 . . . 1 no no . . . . 14.345 . 42.069 . 17.792 . -0.290 -1.424 -0.211 15 . c30642_6pv1 NLE HG2 HG2 HG2 1HG . H . . N 0 . . . 1 no no . . . . 13.147 . 39.956 . 17.773 . -1.779 -0.184 1.338 16 . c30642_6pv1 NLE HG3 HG3 HG3 2HG . H . . N 0 . . . 1 no no . . . . 14.143 . 39.379 . 19.173 . -1.803 1.194 0.211 17 . c30642_6pv1 NLE HD2 HD2 HD2 1HD . H . . N 0 . . . 1 no no . . . . 13.286 . 41.234 . 20.538 . -2.796 -0.255 -1.539 18 . c30642_6pv1 NLE HD3 HD3 HD3 2HD . H . . N 0 . . . 1 no no . . . . 12.263 . 41.768 . 19.138 . -2.772 -1.633 -0.413 19 . c30642_6pv1 NLE HE1 HE1 HE1 1HE . H . . N 0 . . . 1 no no . . . . 11.747 . 39.724 . 21.141 . -4.284 0.985 0.009 20 . c30642_6pv1 NLE HE2 HE2 HE2 2HE . H . . N 0 . . . 1 no no . . . . 10.655 . 40.422 . 19.897 . -5.011 -0.568 -0.469 21 . c30642_6pv1 NLE HE3 HE3 HE3 3HE . H . . N 0 . . . 1 no no . . . . 11.711 . 39.028 . 19.485 . -4.260 -0.393 1.135 22 . c30642_6pv1 NLE stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING N CA no N 1 . c30642_6pv1 NLE 2 . SING N H no N 2 . c30642_6pv1 NLE 3 . SING N HN2 no N 3 . c30642_6pv1 NLE 4 . SING CA C no N 4 . c30642_6pv1 NLE 5 . SING CA CB no N 5 . c30642_6pv1 NLE 6 . SING CA HA no N 6 . c30642_6pv1 NLE 7 . DOUB C O no N 7 . c30642_6pv1 NLE 8 . SING C OXT no N 8 . c30642_6pv1 NLE 9 . SING OXT HXT no N 9 . c30642_6pv1 NLE 10 . SING CB CG no N 10 . c30642_6pv1 NLE 11 . SING CB HB2 no N 11 . c30642_6pv1 NLE 12 . SING CB HB3 no N 12 . c30642_6pv1 NLE 13 . SING CG CD no N 13 . c30642_6pv1 NLE 14 . SING CG HG2 no N 14 . c30642_6pv1 NLE 15 . SING CG HG3 no N 15 . c30642_6pv1 NLE 16 . SING CD CE no N 16 . c30642_6pv1 NLE 17 . SING CD HD2 no N 17 . c30642_6pv1 NLE 18 . SING CD HD3 no N 18 . c30642_6pv1 NLE 19 . SING CE HE1 no N 19 . c30642_6pv1 NLE 20 . SING CE HE2 no N 20 . c30642_6pv1 NLE 21 . SING CE HE3 no N 21 . c30642_6pv1 NLE stop_ save_ save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID c30642_6pv1 _Chem_comp.ID ZN _Chem_comp.Provenance PDB _Chem_comp.Name 'ZINC ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ZN _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Zn/q+2 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Zn/q+2 InChI InChI 1.03 c30642_6pv1 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 c30642_6pv1 ZN [Zn++] SMILES CACTVS 3.341 c30642_6pv1 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 c30642_6pv1 ZN [Zn+2] SMILES ACDLabs 10.04 c30642_6pv1 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 c30642_6pv1 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 c30642_6pv1 ZN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID zinc 'SYSTEMATIC NAME' ACDLabs 10.04 c30642_6pv1 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 c30642_6pv1 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN ZN ZN ZN . ZN . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . c30642_6pv1 ZN stop_ save_ save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID c30642_6pv1 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.5 mM zinc finger 2 from transcription factor Sp1 DNA-binding domain, Aib turn variant, 10 mM [U-2H] TRIS, 0.05 mM DSS, 1.8 mM zinc chloride, 90% H2O/10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity_1 'natural abundance' . . 1 $entity_1 . . 1.5 . . mM . . . . c30642_6pv1 1 2 TRIS [U-2H] . . . . . . 10 . . mM . . . . c30642_6pv1 1 3 DSS 'natural abundance' . . . . . . 0.05 . . mM . . . . c30642_6pv1 1 4 'zinc chloride' 'natural abundance' . . . . . . 1.8 . . mM . . . . c30642_6pv1 1 stop_ save_ save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID c30642_6pv1 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 10 . mM c30642_6pv1 1 pH 6 . pH* c30642_6pv1 1 pressure 1 . atm c30642_6pv1 1 temperature 298 . K c30642_6pv1 1 stop_ save_ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID c30642_6pv1 _Software.ID 1 _Software.Type . _Software.Name TopSpin _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . c30642_6pv1 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing c30642_6pv1 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID c30642_6pv1 _Software.ID 2 _Software.Type . _Software.Name Sparky _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . c30642_6pv1 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'data analysis' c30642_6pv1 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID c30642_6pv1 _Software.ID 3 _Software.Type . _Software.Name ARIA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Linge, O'Donoghue and Nilges" . . c30642_6pv1 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . refinement c30642_6pv1 3 . 'structure calculation' c30642_6pv1 3 stop_ save_ save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID c30642_6pv1 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID c30642_6pv1 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker Avance . 700 . . . c30642_6pv1 1 stop_ save_ save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID c30642_6pv1 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . c30642_6pv1 1 2 '2D 1H-1H COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . c30642_6pv1 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . c30642_6pv1 1 stop_ save_ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID c30642_6pv1 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . c30642_6pv1 1 stop_ save_ save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID c30642_6pv1 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H TOCSY' . . . c30642_6pv1 1 2 '2D 1H-1H COSY' . . . c30642_6pv1 1 3 '2D 1H-1H NOESY' . . . c30642_6pv1 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 ARG HA H 1 4.181 0.000 . 1 . . . . A 1 ARG HA . c30642_6pv1 1 2 . 1 . 1 1 1 ARG HB2 H 1 1.761 0.001 . 1 . . . . A 1 ARG HB2 . c30642_6pv1 1 3 . 1 . 1 1 1 ARG HB3 H 1 1.761 0.001 . 1 . . . . A 1 ARG HB3 . c30642_6pv1 1 4 . 1 . 1 1 1 ARG HG2 H 1 1.579 0.001 . 1 . . . . A 1 ARG HG2 . c30642_6pv1 1 5 . 1 . 1 1 1 ARG HG3 H 1 1.579 0.001 . 1 . . . . A 1 ARG HG3 . c30642_6pv1 1 6 . 1 . 1 1 1 ARG HD2 H 1 3.115 0.001 . 1 . . . . A 1 ARG HD2 . c30642_6pv1 1 7 . 1 . 1 1 1 ARG HD3 H 1 3.115 0.001 . 1 . . . . A 1 ARG HD3 . c30642_6pv1 1 8 . 1 . 1 2 2 PRO HA H 1 4.500 0.001 . 1 . . . . A 2 PRO HA . c30642_6pv1 1 9 . 1 . 1 2 2 PRO HB2 H 1 2.188 0.002 . 2 . . . . A 2 PRO HB2 . c30642_6pv1 1 10 . 1 . 1 2 2 PRO HB3 H 1 1.625 0.001 . 2 . . . . A 2 PRO HB3 . c30642_6pv1 1 11 . 1 . 1 2 2 PRO HG2 H 1 1.956 0.002 . 2 . . . . A 2 PRO HG2 . c30642_6pv1 1 12 . 1 . 1 2 2 PRO HG3 H 1 1.873 0.001 . 2 . . . . A 2 PRO HG3 . c30642_6pv1 1 13 . 1 . 1 2 2 PRO HD2 H 1 3.696 0.001 . 2 . . . . A 2 PRO HD2 . c30642_6pv1 1 14 . 1 . 1 2 2 PRO HD3 H 1 3.575 0.003 . 2 . . . . A 2 PRO HD3 . c30642_6pv1 1 15 . 1 . 1 3 3 PHE H H 1 8.565 0.000 . 1 . . . . A 3 PHE H . c30642_6pv1 1 16 . 1 . 1 3 3 PHE HA H 1 4.631 0.002 . 1 . . . . A 3 PHE HA . c30642_6pv1 1 17 . 1 . 1 3 3 PHE HB2 H 1 3.059 0.001 . 2 . . . . A 3 PHE HB2 . c30642_6pv1 1 18 . 1 . 1 3 3 PHE HB3 H 1 2.955 0.001 . 2 . . . . A 3 PHE HB3 . c30642_6pv1 1 19 . 1 . 1 3 3 PHE HD1 H 1 7.180 0.000 . 1 . . . . A 3 PHE HD1 . c30642_6pv1 1 20 . 1 . 1 3 3 PHE HD2 H 1 7.180 0.000 . 1 . . . . A 3 PHE HD2 . c30642_6pv1 1 21 . 1 . 1 3 3 PHE HE1 H 1 7.429 0.001 . 1 . . . . A 3 PHE HE1 . c30642_6pv1 1 22 . 1 . 1 3 3 PHE HE2 H 1 7.429 0.001 . 1 . . . . A 3 PHE HE2 . c30642_6pv1 1 23 . 1 . 1 4 4 NLE H H 1 8.420 0.001 . 1 . . . . A 4 NLE H . c30642_6pv1 1 24 . 1 . 1 4 4 NLE HA H 1 4.978 0.001 . 1 . . . . A 4 NLE HA . c30642_6pv1 1 25 . 1 . 1 4 4 NLE HB2 H 1 1.537 0.004 . 2 . . . . A 4 NLE HB2 . c30642_6pv1 1 26 . 1 . 1 4 4 NLE HB3 H 1 1.707 0.001 . 2 . . . . A 4 NLE HB3 . c30642_6pv1 1 27 . 1 . 1 4 4 NLE HG2 H 1 1.071 0.000 . 2 . . . . A 4 NLE HG2 . c30642_6pv1 1 28 . 1 . 1 4 4 NLE HG3 H 1 1.106 0.003 . 2 . . . . A 4 NLE HG3 . c30642_6pv1 1 29 . 1 . 1 4 4 NLE QD H 1 1.202 0.002 . 1 . . . . A 4 NLE QD . c30642_6pv1 1 30 . 1 . 1 4 4 NLE QE H 1 0.804 0.001 . 1 . . . . A 4 NLE QE . c30642_6pv1 1 31 . 1 . 1 5 5 CYS H H 1 9.110 0.000 . 1 . . . . A 5 CYS H . c30642_6pv1 1 32 . 1 . 1 5 5 CYS HA H 1 4.580 0.001 . 1 . . . . A 5 CYS HA . c30642_6pv1 1 33 . 1 . 1 5 5 CYS HB2 H 1 3.425 0.000 . 2 . . . . A 5 CYS HB2 . c30642_6pv1 1 34 . 1 . 1 5 5 CYS HB3 H 1 2.901 0.000 . 2 . . . . A 5 CYS HB3 . c30642_6pv1 1 35 . 1 . 1 6 6 THR HA H 1 4.507 0.001 . 1 . . . . A 6 THR HA . c30642_6pv1 1 36 . 1 . 1 6 6 THR HB H 1 4.675 0.000 . 1 . . . . A 6 THR HB . c30642_6pv1 1 37 . 1 . 1 6 6 THR HG21 H 1 1.276 0.000 . 1 . . . . A 6 THR HG21 . c30642_6pv1 1 38 . 1 . 1 6 6 THR HG22 H 1 1.276 0.000 . 1 . . . . A 6 THR HG22 . c30642_6pv1 1 39 . 1 . 1 6 6 THR HG23 H 1 1.276 0.000 . 1 . . . . A 6 THR HG23 . c30642_6pv1 1 40 . 1 . 1 7 7 TRP H H 1 8.851 0.001 . 1 . . . . A 7 TRP H . c30642_6pv1 1 41 . 1 . 1 7 7 TRP HA H 1 4.038 0.001 . 1 . . . . A 7 TRP HA . c30642_6pv1 1 42 . 1 . 1 7 7 TRP HB2 H 1 2.786 0.001 . 2 . . . . A 7 TRP HB2 . c30642_6pv1 1 43 . 1 . 1 7 7 TRP HB3 H 1 2.610 0.002 . 2 . . . . A 7 TRP HB3 . c30642_6pv1 1 44 . 1 . 1 7 7 TRP HD1 H 1 6.837 0.000 . 1 . . . . A 7 TRP HD1 . c30642_6pv1 1 45 . 1 . 1 7 7 TRP HE1 H 1 10.028 0.000 . 1 . . . . A 7 TRP HE1 . c30642_6pv1 1 46 . 1 . 1 7 7 TRP HE3 H 1 7.393 0.000 . 1 . . . . A 7 TRP HE3 . c30642_6pv1 1 47 . 1 . 1 7 7 TRP HZ2 H 1 7.457 0.000 . 1 . . . . A 7 TRP HZ2 . c30642_6pv1 1 48 . 1 . 1 7 7 TRP HZ3 H 1 7.080 0.000 . 1 . . . . A 7 TRP HZ3 . c30642_6pv1 1 49 . 1 . 1 7 7 TRP HH2 H 1 7.148 0.000 . 1 . . . . A 7 TRP HH2 . c30642_6pv1 1 50 . 1 . 1 8 8 AIB H H 1 8.225 0.001 . 1 . . . . A 8 AIB H . c30642_6pv1 1 51 . 1 . 1 8 8 AIB QB1 H 1 1.106 0.000 . 2 . . . . A 8 AIB QB1 . c30642_6pv1 1 52 . 1 . 1 8 8 AIB QB2 H 1 1.375 0.000 . 2 . . . . A 8 AIB QB2 . c30642_6pv1 1 53 . 1 . 1 9 9 GLY H H 1 8.134 0.000 . 1 . . . . A 9 GLY H . c30642_6pv1 1 54 . 1 . 1 9 9 GLY HA2 H 1 4.011 0.000 . 2 . . . . A 9 GLY HA2 . c30642_6pv1 1 55 . 1 . 1 9 9 GLY HA3 H 1 3.758 0.002 . 2 . . . . A 9 GLY HA3 . c30642_6pv1 1 56 . 1 . 1 10 10 CYS H H 1 8.132 0.000 . 1 . . . . A 10 CYS H . c30642_6pv1 1 57 . 1 . 1 10 10 CYS HA H 1 4.418 0.001 . 1 . . . . A 10 CYS HA . c30642_6pv1 1 58 . 1 . 1 10 10 CYS HB2 H 1 3.263 0.001 . 2 . . . . A 10 CYS HB2 . c30642_6pv1 1 59 . 1 . 1 10 10 CYS HB3 H 1 3.170 0.002 . 2 . . . . A 10 CYS HB3 . c30642_6pv1 1 60 . 1 . 1 11 11 GLY H H 1 8.452 0.001 . 1 . . . . A 11 GLY H . c30642_6pv1 1 61 . 1 . 1 11 11 GLY HA2 H 1 4.016 0.002 . 2 . . . . A 11 GLY HA2 . c30642_6pv1 1 62 . 1 . 1 11 11 GLY HA3 H 1 3.877 0.003 . 2 . . . . A 11 GLY HA3 . c30642_6pv1 1 63 . 1 . 1 12 12 LYS H H 1 8.078 0.000 . 1 . . . . A 12 LYS H . c30642_6pv1 1 64 . 1 . 1 12 12 LYS HA H 1 4.000 0.001 . 1 . . . . A 12 LYS HA . c30642_6pv1 1 65 . 1 . 1 12 12 LYS HB2 H 1 1.417 0.002 . 1 . . . . A 12 LYS HB2 . c30642_6pv1 1 66 . 1 . 1 12 12 LYS HB3 H 1 1.417 0.002 . 1 . . . . A 12 LYS HB3 . c30642_6pv1 1 67 . 1 . 1 12 12 LYS HG2 H 1 1.329 0.001 . 2 . . . . A 12 LYS HG2 . c30642_6pv1 1 68 . 1 . 1 12 12 LYS HG3 H 1 1.251 0.000 . 2 . . . . A 12 LYS HG3 . c30642_6pv1 1 69 . 1 . 1 12 12 LYS HD2 H 1 1.490 0.002 . 1 . . . . A 12 LYS HD2 . c30642_6pv1 1 70 . 1 . 1 12 12 LYS HD3 H 1 1.490 0.002 . 1 . . . . A 12 LYS HD3 . c30642_6pv1 1 71 . 1 . 1 12 12 LYS HE2 H 1 3.003 0.000 . 1 . . . . A 12 LYS HE2 . c30642_6pv1 1 72 . 1 . 1 12 12 LYS HE3 H 1 3.003 0.000 . 1 . . . . A 12 LYS HE3 . c30642_6pv1 1 73 . 1 . 1 13 13 ARG H H 1 7.817 0.002 . 1 . . . . A 13 ARG H . c30642_6pv1 1 74 . 1 . 1 13 13 ARG HA H 1 5.064 0.001 . 1 . . . . A 13 ARG HA . c30642_6pv1 1 75 . 1 . 1 13 13 ARG HB2 H 1 1.499 0.001 . 1 . . . . A 13 ARG HB2 . c30642_6pv1 1 76 . 1 . 1 13 13 ARG HB3 H 1 1.499 0.001 . 1 . . . . A 13 ARG HB3 . c30642_6pv1 1 77 . 1 . 1 13 13 ARG HG2 H 1 1.648 0.002 . 2 . . . . A 13 ARG HG2 . c30642_6pv1 1 78 . 1 . 1 13 13 ARG HG3 H 1 1.442 0.003 . 2 . . . . A 13 ARG HG3 . c30642_6pv1 1 79 . 1 . 1 13 13 ARG HD2 H 1 3.101 0.003 . 1 . . . . A 13 ARG HD2 . c30642_6pv1 1 80 . 1 . 1 13 13 ARG HD3 H 1 3.101 0.003 . 1 . . . . A 13 ARG HD3 . c30642_6pv1 1 81 . 1 . 1 13 13 ARG HE H 1 7.189 0.000 . 1 . . . . A 13 ARG HE . c30642_6pv1 1 82 . 1 . 1 14 14 PHE H H 1 8.772 0.000 . 1 . . . . A 14 PHE H . c30642_6pv1 1 83 . 1 . 1 14 14 PHE HA H 1 4.880 0.002 . 1 . . . . A 14 PHE HA . c30642_6pv1 1 84 . 1 . 1 14 14 PHE HB2 H 1 3.593 0.001 . 2 . . . . A 14 PHE HB2 . c30642_6pv1 1 85 . 1 . 1 14 14 PHE HB3 H 1 2.646 0.002 . 2 . . . . A 14 PHE HB3 . c30642_6pv1 1 86 . 1 . 1 14 14 PHE HD1 H 1 7.198 0.001 . 1 . . . . A 14 PHE HD1 . c30642_6pv1 1 87 . 1 . 1 14 14 PHE HD2 H 1 7.198 0.001 . 1 . . . . A 14 PHE HD2 . c30642_6pv1 1 88 . 1 . 1 14 14 PHE HE1 H 1 6.898 0.000 . 1 . . . . A 14 PHE HE1 . c30642_6pv1 1 89 . 1 . 1 14 14 PHE HE2 H 1 6.898 0.000 . 1 . . . . A 14 PHE HE2 . c30642_6pv1 1 90 . 1 . 1 14 14 PHE HZ H 1 6.213 0.000 . 1 . . . . A 14 PHE HZ . c30642_6pv1 1 91 . 1 . 1 15 15 THR H H 1 9.174 0.000 . 1 . . . . A 15 THR H . c30642_6pv1 1 92 . 1 . 1 15 15 THR HA H 1 4.558 0.001 . 1 . . . . A 15 THR HA . c30642_6pv1 1 93 . 1 . 1 15 15 THR HB H 1 4.466 0.001 . 1 . . . . A 15 THR HB . c30642_6pv1 1 94 . 1 . 1 15 15 THR HG21 H 1 1.336 0.003 . 1 . . . . A 15 THR HG21 . c30642_6pv1 1 95 . 1 . 1 15 15 THR HG22 H 1 1.336 0.003 . 1 . . . . A 15 THR HG22 . c30642_6pv1 1 96 . 1 . 1 15 15 THR HG23 H 1 1.336 0.003 . 1 . . . . A 15 THR HG23 . c30642_6pv1 1 97 . 1 . 1 16 16 ARG H H 1 7.745 0.002 . 1 . . . . A 16 ARG H . c30642_6pv1 1 98 . 1 . 1 16 16 ARG HA H 1 4.717 0.001 . 1 . . . . A 16 ARG HA . c30642_6pv1 1 99 . 1 . 1 16 16 ARG HB2 H 1 2.149 0.002 . 1 . . . . A 16 ARG HB2 . c30642_6pv1 1 100 . 1 . 1 16 16 ARG HB3 H 1 2.149 0.002 . 1 . . . . A 16 ARG HB3 . c30642_6pv1 1 101 . 1 . 1 16 16 ARG HG2 H 1 1.671 0.000 . 2 . . . . A 16 ARG HG2 . c30642_6pv1 1 102 . 1 . 1 16 16 ARG HG3 H 1 1.642 0.000 . 2 . . . . A 16 ARG HG3 . c30642_6pv1 1 103 . 1 . 1 16 16 ARG HD2 H 1 3.308 0.000 . 2 . . . . A 16 ARG HD2 . c30642_6pv1 1 104 . 1 . 1 16 16 ARG HD3 H 1 3.260 0.002 . 2 . . . . A 16 ARG HD3 . c30642_6pv1 1 105 . 1 . 1 17 17 SER H H 1 8.520 0.001 . 1 . . . . A 17 SER H . c30642_6pv1 1 106 . 1 . 1 17 17 SER HA H 1 3.090 0.001 . 1 . . . . A 17 SER HA . c30642_6pv1 1 107 . 1 . 1 17 17 SER HB2 H 1 3.510 0.001 . 2 . . . . A 17 SER HB2 . c30642_6pv1 1 108 . 1 . 1 17 17 SER HB3 H 1 3.389 0.003 . 2 . . . . A 17 SER HB3 . c30642_6pv1 1 109 . 1 . 1 18 18 ASP H H 1 8.719 0.001 . 1 . . . . A 18 ASP H . c30642_6pv1 1 110 . 1 . 1 18 18 ASP HA H 1 4.204 0.003 . 1 . . . . A 18 ASP HA . c30642_6pv1 1 111 . 1 . 1 18 18 ASP HB2 H 1 2.668 0.005 . 2 . . . . A 18 ASP HB2 . c30642_6pv1 1 112 . 1 . 1 18 18 ASP HB3 H 1 2.592 0.000 . 2 . . . . A 18 ASP HB3 . c30642_6pv1 1 113 . 1 . 1 19 19 GLU H H 1 7.037 0.001 . 1 . . . . A 19 GLU H . c30642_6pv1 1 114 . 1 . 1 19 19 GLU HA H 1 3.853 0.000 . 1 . . . . A 19 GLU HA . c30642_6pv1 1 115 . 1 . 1 19 19 GLU HB2 H 1 2.305 0.001 . 2 . . . . A 19 GLU HB2 . c30642_6pv1 1 116 . 1 . 1 19 19 GLU HB3 H 1 2.264 0.001 . 2 . . . . A 19 GLU HB3 . c30642_6pv1 1 117 . 1 . 1 19 19 GLU HG2 H 1 2.081 0.003 . 1 . . . . A 19 GLU HG2 . c30642_6pv1 1 118 . 1 . 1 19 19 GLU HG3 H 1 2.081 0.003 . 1 . . . . A 19 GLU HG3 . c30642_6pv1 1 119 . 1 . 1 20 20 LEU H H 1 6.980 0.004 . 1 . . . . A 20 LEU H . c30642_6pv1 1 120 . 1 . 1 20 20 LEU HA H 1 3.258 0.001 . 1 . . . . A 20 LEU HA . c30642_6pv1 1 121 . 1 . 1 20 20 LEU HB2 H 1 1.998 0.000 . 2 . . . . A 20 LEU HB2 . c30642_6pv1 1 122 . 1 . 1 20 20 LEU HB3 H 1 1.290 0.003 . 2 . . . . A 20 LEU HB3 . c30642_6pv1 1 123 . 1 . 1 20 20 LEU HG H 1 1.546 0.000 . 1 . . . . A 20 LEU HG . c30642_6pv1 1 124 . 1 . 1 20 20 LEU HD11 H 1 1.069 0.001 . 2 . . . . A 20 LEU HD11 . c30642_6pv1 1 125 . 1 . 1 20 20 LEU HD12 H 1 1.069 0.001 . 2 . . . . A 20 LEU HD12 . c30642_6pv1 1 126 . 1 . 1 20 20 LEU HD13 H 1 1.069 0.001 . 2 . . . . A 20 LEU HD13 . c30642_6pv1 1 127 . 1 . 1 20 20 LEU HD21 H 1 1.095 0.001 . 2 . . . . A 20 LEU HD21 . c30642_6pv1 1 128 . 1 . 1 20 20 LEU HD22 H 1 1.095 0.001 . 2 . . . . A 20 LEU HD22 . c30642_6pv1 1 129 . 1 . 1 20 20 LEU HD23 H 1 1.095 0.001 . 2 . . . . A 20 LEU HD23 . c30642_6pv1 1 130 . 1 . 1 21 21 GLN H H 1 8.150 0.000 . 1 . . . . A 21 GLN H . c30642_6pv1 1 131 . 1 . 1 21 21 GLN HA H 1 3.863 0.002 . 1 . . . . A 21 GLN HA . c30642_6pv1 1 132 . 1 . 1 21 21 GLN HB2 H 1 2.073 0.001 . 1 . . . . A 21 GLN HB2 . c30642_6pv1 1 133 . 1 . 1 21 21 GLN HB3 H 1 2.073 0.001 . 1 . . . . A 21 GLN HB3 . c30642_6pv1 1 134 . 1 . 1 21 21 GLN HG2 H 1 2.402 0.001 . 1 . . . . A 21 GLN HG2 . c30642_6pv1 1 135 . 1 . 1 21 21 GLN HG3 H 1 2.402 0.001 . 1 . . . . A 21 GLN HG3 . c30642_6pv1 1 136 . 1 . 1 22 22 ARG H H 1 7.675 0.004 . 1 . . . . A 22 ARG H . c30642_6pv1 1 137 . 1 . 1 22 22 ARG HA H 1 3.896 0.001 . 1 . . . . A 22 ARG HA . c30642_6pv1 1 138 . 1 . 1 22 22 ARG HB2 H 1 1.808 0.000 . 2 . . . . A 22 ARG HB2 . c30642_6pv1 1 139 . 1 . 1 22 22 ARG HB3 H 1 1.760 0.000 . 2 . . . . A 22 ARG HB3 . c30642_6pv1 1 140 . 1 . 1 22 22 ARG HG2 H 1 1.506 0.000 . 1 . . . . A 22 ARG HG2 . c30642_6pv1 1 141 . 1 . 1 22 22 ARG HG3 H 1 1.506 0.000 . 1 . . . . A 22 ARG HG3 . c30642_6pv1 1 142 . 1 . 1 22 22 ARG HD2 H 1 3.229 0.000 . 2 . . . . A 22 ARG HD2 . c30642_6pv1 1 143 . 1 . 1 22 22 ARG HD3 H 1 3.132 0.000 . 2 . . . . A 22 ARG HD3 . c30642_6pv1 1 144 . 1 . 1 23 23 HIS H H 1 7.692 0.001 . 1 . . . . A 23 HIS H . c30642_6pv1 1 145 . 1 . 1 23 23 HIS HA H 1 4.232 0.001 . 1 . . . . A 23 HIS HA . c30642_6pv1 1 146 . 1 . 1 23 23 HIS HB2 H 1 3.013 0.002 . 2 . . . . A 23 HIS HB2 . c30642_6pv1 1 147 . 1 . 1 23 23 HIS HB3 H 1 2.866 0.002 . 2 . . . . A 23 HIS HB3 . c30642_6pv1 1 148 . 1 . 1 23 23 HIS HD2 H 1 7.067 0.001 . 1 . . . . A 23 HIS HD2 . c30642_6pv1 1 149 . 1 . 1 23 23 HIS HE1 H 1 7.901 0.001 . 1 . . . . A 23 HIS HE1 . c30642_6pv1 1 150 . 1 . 1 24 24 LYS H H 1 8.746 0.000 . 1 . . . . A 24 LYS H . c30642_6pv1 1 151 . 1 . 1 24 24 LYS HA H 1 3.628 0.001 . 1 . . . . A 24 LYS HA . c30642_6pv1 1 152 . 1 . 1 24 24 LYS HB2 H 1 1.963 0.000 . 1 . . . . A 24 LYS HB2 . c30642_6pv1 1 153 . 1 . 1 24 24 LYS HB3 H 1 1.963 0.000 . 1 . . . . A 24 LYS HB3 . c30642_6pv1 1 154 . 1 . 1 24 24 LYS HG2 H 1 1.846 0.000 . 1 . . . . A 24 LYS HG2 . c30642_6pv1 1 155 . 1 . 1 24 24 LYS HG3 H 1 1.846 0.000 . 1 . . . . A 24 LYS HG3 . c30642_6pv1 1 156 . 1 . 1 24 24 LYS HD2 H 1 1.780 0.000 . 1 . . . . A 24 LYS HD2 . c30642_6pv1 1 157 . 1 . 1 24 24 LYS HD3 H 1 1.780 0.000 . 1 . . . . A 24 LYS HD3 . c30642_6pv1 1 158 . 1 . 1 24 24 LYS HE2 H 1 3.170 0.000 . 2 . . . . A 24 LYS HE2 . c30642_6pv1 1 159 . 1 . 1 24 24 LYS HE3 H 1 3.093 0.000 . 2 . . . . A 24 LYS HE3 . c30642_6pv1 1 160 . 1 . 1 25 25 ARG H H 1 7.044 0.002 . 1 . . . . A 25 ARG H . c30642_6pv1 1 161 . 1 . 1 25 25 ARG HA H 1 4.127 0.002 . 1 . . . . A 25 ARG HA . c30642_6pv1 1 162 . 1 . 1 25 25 ARG HB2 H 1 1.794 0.000 . 1 . . . . A 25 ARG HB2 . c30642_6pv1 1 163 . 1 . 1 25 25 ARG HB3 H 1 1.794 0.000 . 1 . . . . A 25 ARG HB3 . c30642_6pv1 1 164 . 1 . 1 25 25 ARG HG2 H 1 1.891 0.006 . 2 . . . . A 25 ARG HG2 . c30642_6pv1 1 165 . 1 . 1 25 25 ARG HG3 H 1 1.635 0.001 . 2 . . . . A 25 ARG HG3 . c30642_6pv1 1 166 . 1 . 1 25 25 ARG HD2 H 1 3.163 0.001 . 1 . . . . A 25 ARG HD2 . c30642_6pv1 1 167 . 1 . 1 25 25 ARG HD3 H 1 3.163 0.001 . 1 . . . . A 25 ARG HD3 . c30642_6pv1 1 168 . 1 . 1 25 25 ARG HE H 1 7.235 0.000 . 1 . . . . A 25 ARG HE . c30642_6pv1 1 169 . 1 . 1 26 26 THR H H 1 7.670 0.002 . 1 . . . . A 26 THR H . c30642_6pv1 1 170 . 1 . 1 26 26 THR HA H 1 4.022 0.000 . 1 . . . . A 26 THR HA . c30642_6pv1 1 171 . 1 . 1 26 26 THR HB H 1 3.927 0.000 . 1 . . . . A 26 THR HB . c30642_6pv1 1 172 . 1 . 1 26 26 THR HG21 H 1 1.109 0.001 . 1 . . . . A 26 THR HG21 . c30642_6pv1 1 173 . 1 . 1 26 26 THR HG22 H 1 1.109 0.001 . 1 . . . . A 26 THR HG22 . c30642_6pv1 1 174 . 1 . 1 26 26 THR HG23 H 1 1.109 0.001 . 1 . . . . A 26 THR HG23 . c30642_6pv1 1 175 . 1 . 1 27 27 HIS H H 1 6.872 0.000 . 1 . . . . A 27 HIS H . c30642_6pv1 1 176 . 1 . 1 27 27 HIS HA H 1 4.262 0.001 . 1 . . . . A 27 HIS HA . c30642_6pv1 1 177 . 1 . 1 27 27 HIS HB2 H 1 2.120 0.001 . 2 . . . . A 27 HIS HB2 . c30642_6pv1 1 178 . 1 . 1 27 27 HIS HB3 H 1 0.966 0.002 . 2 . . . . A 27 HIS HB3 . c30642_6pv1 1 179 . 1 . 1 27 27 HIS HD2 H 1 6.227 0.001 . 1 . . . . A 27 HIS HD2 . c30642_6pv1 1 180 . 1 . 1 27 27 HIS HE1 H 1 7.950 0.000 . 1 . . . . A 27 HIS HE1 . c30642_6pv1 1 181 . 1 . 1 28 28 THR H H 1 7.459 0.000 . 1 . . . . A 28 THR H . c30642_6pv1 1 182 . 1 . 1 28 28 THR HA H 1 4.248 0.000 . 1 . . . . A 28 THR HA . c30642_6pv1 1 183 . 1 . 1 28 28 THR HB H 1 4.301 0.003 . 1 . . . . A 28 THR HB . c30642_6pv1 1 184 . 1 . 1 28 28 THR HG21 H 1 1.168 0.000 . 1 . . . . A 28 THR HG21 . c30642_6pv1 1 185 . 1 . 1 28 28 THR HG22 H 1 1.168 0.000 . 1 . . . . A 28 THR HG22 . c30642_6pv1 1 186 . 1 . 1 28 28 THR HG23 H 1 1.168 0.000 . 1 . . . . A 28 THR HG23 . c30642_6pv1 1 187 . 1 . 1 29 29 GLY H H 1 8.167 0.000 . 1 . . . . A 29 GLY H . c30642_6pv1 1 188 . 1 . 1 29 29 GLY HA2 H 1 4.057 0.001 . 2 . . . . A 29 GLY HA2 . c30642_6pv1 1 189 . 1 . 1 29 29 GLY HA3 H 1 3.962 0.002 . 2 . . . . A 29 GLY HA3 . c30642_6pv1 1 190 . 1 . 1 30 30 GLU H H 1 8.177 0.000 . 1 . . . . A 30 GLU H . c30642_6pv1 1 191 . 1 . 1 30 30 GLU HA H 1 4.248 0.001 . 1 . . . . A 30 GLU HA . c30642_6pv1 1 192 . 1 . 1 30 30 GLU HB2 H 1 2.047 0.003 . 2 . . . . A 30 GLU HB2 . c30642_6pv1 1 193 . 1 . 1 30 30 GLU HB3 H 1 1.937 0.001 . 2 . . . . A 30 GLU HB3 . c30642_6pv1 1 194 . 1 . 1 30 30 GLU HG2 H 1 2.257 0.003 . 1 . . . . A 30 GLU HG2 . c30642_6pv1 1 195 . 1 . 1 30 30 GLU HG3 H 1 2.257 0.003 . 1 . . . . A 30 GLU HG3 . c30642_6pv1 1 196 . 1 . 1 31 31 LYS H H 1 8.431 0.001 . 1 . . . . A 31 LYS H . c30642_6pv1 1 197 . 1 . 1 31 31 LYS HA H 1 4.253 0.001 . 1 . . . . A 31 LYS HA . c30642_6pv1 1 198 . 1 . 1 31 31 LYS HB2 H 1 1.852 0.001 . 2 . . . . A 31 LYS HB2 . c30642_6pv1 1 199 . 1 . 1 31 31 LYS HB3 H 1 1.768 0.001 . 2 . . . . A 31 LYS HB3 . c30642_6pv1 1 200 . 1 . 1 31 31 LYS HG2 H 1 1.471 0.001 . 2 . . . . A 31 LYS HG2 . c30642_6pv1 1 201 . 1 . 1 31 31 LYS HG3 H 1 1.424 0.003 . 2 . . . . A 31 LYS HG3 . c30642_6pv1 1 202 . 1 . 1 31 31 LYS HD2 H 1 1.675 0.001 . 1 . . . . A 31 LYS HD2 . c30642_6pv1 1 203 . 1 . 1 31 31 LYS HD3 H 1 1.675 0.001 . 1 . . . . A 31 LYS HD3 . c30642_6pv1 1 204 . 1 . 1 31 31 LYS HE2 H 1 2.995 0.000 . 1 . . . . A 31 LYS HE2 . c30642_6pv1 1 205 . 1 . 1 31 31 LYS HE3 H 1 2.995 0.000 . 1 . . . . A 31 LYS HE3 . c30642_6pv1 1 206 . 1 . 1 32 32 NH2 HN1 H 1 7.083 0.000 . 2 . . . . A 32 NH2 HN1 . c30642_6pv1 1 207 . 1 . 1 32 32 NH2 HN2 H 1 7.544 0.000 . 2 . . . . A 32 NH2 HN2 . c30642_6pv1 1 stop_ save_ save_conformer_statistics _Conformer_stat_list.Sf_category conformer_statistics _Conformer_stat_list.Sf_framecode conformer_statistics _Conformer_stat_list.Entry_ID c30642_6pv1 _Conformer_stat_list.ID 1 _Conformer_stat_list.Conf_family_coord_set_ID 1 _Conformer_stat_list.Conf_family_coord_set_label $Original_constraints_and_structures _Conformer_stat_list.Conformer_submitted_total_num 10 save_ save_ensemble_of_conformers _Conformer_family_coord_set.Sf_category conformer_family_coord_set _Conformer_family_coord_set.Sf_framecode ensemble_of_conformers _Conformer_family_coord_set.Entry_ID c30642_6pv1 _Conformer_family_coord_set.ID 1 loop_ _Conformer_family_refinement.Refine_method _Conformer_family_refinement.Refine_details _Conformer_family_refinement.Software_ID _Conformer_family_refinement.Software_label _Conformer_family_refinement.Entry_ID _Conformer_family_refinement.Conformer_family_coord_set_ID 1 . . . c30642_6pv1 1 stop_ loop_ _Conformer_family_software.Software_ID _Conformer_family_software.Software_label _Conformer_family_software.Method_ID _Conformer_family_software.Method_label _Conformer_family_software.Entry_ID _Conformer_family_software.Conformer_family_coord_set_ID . . . . c30642_6pv1 1 stop_ loop_ _Atom_site.Assembly_ID _Atom_site.Model_ID _Atom_site.Model_site_ID _Atom_site.ID _Atom_site.Assembly_atom_ID _Atom_site.Label_entity_assembly_ID _Atom_site.Label_entity_ID _Atom_site.Label_comp_index_ID _Atom_site.Label_comp_ID _Atom_site.Label_atom_ID _Atom_site.Type_symbol _Atom_site.Cartn_x _Atom_site.Cartn_y _Atom_site.Cartn_z _Atom_site.Cartn_x_esd _Atom_site.Cartn_y_esd _Atom_site.Cartn_z_esd _Atom_site.Occupancy _Atom_site.Occupancy_esd _Atom_site.Uncertainty _Atom_site.Ordered_flag _Atom_site.Footnote_ID _Atom_site.PDBX_label_asym_ID _Atom_site.PDBX_label_seq_ID _Atom_site.PDBX_label_comp_ID _Atom_site.PDBX_label_atom_ID _Atom_site.PDBX_formal_charge _Atom_site.PDBX_label_entity_ID _Atom_site.PDB_record_ID _Atom_site.PDB_model_num _Atom_site.PDB_strand_ID _Atom_site.PDB_ins_code _Atom_site.PDB_residue_no _Atom_site.PDB_residue_name _Atom_site.PDB_atom_name _Atom_site.Auth_entity_assembly_ID _Atom_site.Auth_asym_ID _Atom_site.Auth_chain_ID _Atom_site.Auth_seq_ID _Atom_site.Auth_comp_ID _Atom_site.Auth_atom_ID _Atom_site.Auth_alt_ID _Atom_site.Auth_atom_name _Atom_site.Details _Atom_site.Entry_ID _Atom_site.Conformer_family_coord_set_ID . 1 . 1 . 1 1 1 ARG C C -12.551 0.199 -3.337 . . . 1.0 . . . . . . . . . . . . A . 1 ARG C . . . . . . . . . c30642_6pv1 1 . 1 . 2 . 1 1 1 ARG CA C -13.530 0.265 -4.501 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CA . . . . . . . . . c30642_6pv1 1 . 1 . 3 . 1 1 1 ARG CB C -12.981 1.213 -5.573 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CB . . . . . . . . . c30642_6pv1 1 . 1 . 4 . 1 1 1 ARG CD C -11.031 1.879 -7.015 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CD . . . . . . . . . c30642_6pv1 1 . 1 . 5 . 1 1 1 ARG CG C -11.594 0.831 -6.070 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CG . . . . . . . . . c30642_6pv1 1 . 1 . 6 . 1 1 1 ARG CZ C -8.790 2.431 -7.897 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CZ . . . . . . . . . c30642_6pv1 1 . 1 . 7 . 1 1 1 ARG H1 H -15.235 0.059 -3.329 . . . 1.0 . . . . . . . . . . . . A . 1 ARG H1 . . . . . . . . . c30642_6pv1 1 . 1 . 8 . 1 1 1 ARG H2 H -15.523 0.771 -4.833 . . . 1.0 . . . . . . . . . . . . A . 1 ARG H2 . . . . . . . . . c30642_6pv1 1 . 1 . 9 . 1 1 1 ARG H3 H -14.783 1.662 -3.604 . . . 1.0 . . . . . . . . . . . . A . 1 ARG H3 . . . . . . . . . c30642_6pv1 1 . 1 . 10 . 1 1 1 ARG HA H -13.639 -0.721 -4.922 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HA . . . . . . . . . c30642_6pv1 1 . 1 . 11 . 1 1 1 ARG HB2 H -13.653 1.213 -6.417 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HB2 . . . . . . . . . c30642_6pv1 1 . 1 . 12 . 1 1 1 ARG HB3 H -12.931 2.211 -5.163 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HB3 . . . . . . . . . c30642_6pv1 1 . 1 . 13 . 1 1 1 ARG HD2 H -11.681 1.959 -7.873 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HD2 . . . . . . . . . c30642_6pv1 1 . 1 . 14 . 1 1 1 ARG HD3 H -10.994 2.828 -6.501 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HD3 . . . . . . . . . c30642_6pv1 1 . 1 . 15 . 1 1 1 ARG HE H -9.437 0.584 -7.469 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HE . . . . . . . . . c30642_6pv1 1 . 1 . 16 . 1 1 1 ARG HG2 H -10.933 0.733 -5.223 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HG2 . . . . . . . . . c30642_6pv1 1 . 1 . 17 . 1 1 1 ARG HG3 H -11.657 -0.114 -6.591 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HG3 . . . . . . . . . c30642_6pv1 1 . 1 . 18 . 1 1 1 ARG HH11 H -8.412 4.400 -8.225 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH11 . . . . . . . . . c30642_6pv1 1 . 1 . 19 . 1 1 1 ARG HH12 H -9.986 4.041 -7.593 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH12 . . . . . . . . . c30642_6pv1 1 . 1 . 20 . 1 1 1 ARG HH21 H -6.914 2.692 -8.625 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH21 . . . . . . . . . c30642_6pv1 1 . 1 . 21 . 1 1 1 ARG HH22 H -7.361 1.048 -8.290 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH22 . . . . . . . . . c30642_6pv1 1 . 1 . 22 . 1 1 1 ARG N N -14.859 0.721 -4.037 . . . 1.0 . . . . . . . . . . . . A . 1 ARG N . . . . . . . . . c30642_6pv1 1 . 1 . 23 . 1 1 1 ARG NE N -9.685 1.536 -7.473 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NE . . . . . . . . . c30642_6pv1 1 . 1 . 24 . 1 1 1 ARG NH1 N -9.086 3.727 -7.904 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NH1 . . . . . . . . . c30642_6pv1 1 . 1 . 25 . 1 1 1 ARG NH2 N -7.594 2.025 -8.304 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NH2 . . . . . . . . . c30642_6pv1 1 . 1 . 26 . 1 1 1 ARG O O -12.063 1.231 -2.871 . . . 1.0 . . . . . . . . . . . . A . 1 ARG O . . . . . . . . . c30642_6pv1 1 . 1 . 27 . 1 1 2 PRO C C -9.860 -1.276 -2.348 . . . 1.0 . . . . . . . . . . . . A . 2 PRO C . . . . . . . . . c30642_6pv1 1 . 1 . 28 . 1 1 2 PRO CA C -11.275 -1.203 -1.785 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CA . . . . . . . . . c30642_6pv1 1 . 1 . 29 . 1 1 2 PRO CB C -11.684 -2.539 -1.177 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CB . . . . . . . . . c30642_6pv1 1 . 1 . 30 . 1 1 2 PRO CD C -12.882 -2.287 -3.246 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CD . . . . . . . . . c30642_6pv1 1 . 1 . 31 . 1 1 2 PRO CG C -12.270 -3.307 -2.314 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CG . . . . . . . . . c30642_6pv1 1 . 1 . 32 . 1 1 2 PRO HA H -11.330 -0.425 -1.038 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HA . . . . . . . . . c30642_6pv1 1 . 1 . 33 . 1 1 2 PRO HB2 H -10.813 -3.032 -0.771 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HB2 . . . . . . . . . c30642_6pv1 1 . 1 . 34 . 1 1 2 PRO HB3 H -12.410 -2.376 -0.396 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HB3 . . . . . . . . . c30642_6pv1 1 . 1 . 35 . 1 1 2 PRO HD2 H -12.637 -2.521 -4.271 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HD2 . . . . . . . . . c30642_6pv1 1 . 1 . 36 . 1 1 2 PRO HD3 H -13.952 -2.256 -3.112 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HD3 . . . . . . . . . c30642_6pv1 1 . 1 . 37 . 1 1 2 PRO HG2 H -11.491 -3.857 -2.821 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HG2 . . . . . . . . . c30642_6pv1 1 . 1 . 38 . 1 1 2 PRO HG3 H -13.028 -3.983 -1.947 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HG3 . . . . . . . . . c30642_6pv1 1 . 1 . 39 . 1 1 2 PRO N N -12.262 -1.011 -2.838 . . . 1.0 . . . . . . . . . . . . A . 2 PRO N . . . . . . . . . c30642_6pv1 1 . 1 . 40 . 1 1 2 PRO O O -9.644 -1.772 -3.458 . . . 1.0 . . . . . . . . . . . . A . 2 PRO O . . . . . . . . . c30642_6pv1 1 . 1 . 41 . 1 1 3 PHE C C -6.749 -1.881 -1.309 . . . 1.0 . . . . . . . . . . . . A . 3 PHE C . . . . . . . . . c30642_6pv1 1 . 1 . 42 . 1 1 3 PHE CA C -7.518 -0.788 -2.029 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CA . . . . . . . . . c30642_6pv1 1 . 1 . 43 . 1 1 3 PHE CB C -6.881 0.578 -1.777 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CB . . . . . . . . . c30642_6pv1 1 . 1 . 44 . 1 1 3 PHE CD1 C -7.261 1.909 -3.862 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD1 . . . . . . . . . c30642_6pv1 1 . 1 . 45 . 1 1 3 PHE CD2 C -8.506 2.486 -1.913 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD2 . . . . . . . . . c30642_6pv1 1 . 1 . 46 . 1 1 3 PHE CE1 C -7.893 2.914 -4.566 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE1 . . . . . . . . . c30642_6pv1 1 . 1 . 47 . 1 1 3 PHE CE2 C -9.139 3.494 -2.611 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE2 . . . . . . . . . c30642_6pv1 1 . 1 . 48 . 1 1 3 PHE CG C -7.560 1.683 -2.531 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CG . . . . . . . . . c30642_6pv1 1 . 1 . 49 . 1 1 3 PHE CZ C -8.834 3.708 -3.940 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CZ . . . . . . . . . c30642_6pv1 1 . 1 . 50 . 1 1 3 PHE H H -9.122 -0.408 -0.709 . . . 1.0 . . . . . . . . . . . . A . 3 PHE H . . . . . . . . . c30642_6pv1 1 . 1 . 51 . 1 1 3 PHE HA H -7.506 -0.992 -3.088 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HA . . . . . . . . . c30642_6pv1 1 . 1 . 52 . 1 1 3 PHE HB2 H -6.936 0.808 -0.724 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB2 . . . . . . . . . c30642_6pv1 1 . 1 . 53 . 1 1 3 PHE HB3 H -5.849 0.551 -2.081 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB3 . . . . . . . . . c30642_6pv1 1 . 1 . 54 . 1 1 3 PHE HD1 H -6.527 1.288 -4.352 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD1 . . . . . . . . . c30642_6pv1 1 . 1 . 55 . 1 1 3 PHE HD2 H -8.745 2.321 -0.872 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD2 . . . . . . . . . c30642_6pv1 1 . 1 . 56 . 1 1 3 PHE HE1 H -7.650 3.080 -5.605 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE1 . . . . . . . . . c30642_6pv1 1 . 1 . 57 . 1 1 3 PHE HE2 H -9.872 4.112 -2.118 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE2 . . . . . . . . . c30642_6pv1 1 . 1 . 58 . 1 1 3 PHE HZ H -9.329 4.495 -4.489 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HZ . . . . . . . . . c30642_6pv1 1 . 1 . 59 . 1 1 3 PHE N N -8.900 -0.782 -1.592 . . . 1.0 . . . . . . . . . . . . A . 3 PHE N . . . . . . . . . c30642_6pv1 1 . 1 . 60 . 1 1 3 PHE O O -6.821 -1.999 -0.091 . . . 1.0 . . . . . . . . . . . . A . 3 PHE O . . . . . . . . . c30642_6pv1 1 . 1 . 61 . 1 1 4 NLE C C -3.861 -3.793 -2.021 . . . 1.0 . . . . . . . . . . . . A . 4 NLE C . . . . . . . . . c30642_6pv1 1 . 1 . 62 . 1 1 4 NLE CA C -5.275 -3.780 -1.476 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CA . . . . . . . . . c30642_6pv1 1 . 1 . 63 . 1 1 4 NLE CB C -5.952 -5.122 -1.748 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CB . . . . . . . . . c30642_6pv1 1 . 1 . 64 . 1 1 4 NLE CD C -5.864 -7.625 -1.524 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CD . . . . . . . . . c30642_6pv1 1 . 1 . 65 . 1 1 4 NLE CE C -5.076 -8.778 -0.943 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CE . . . . . . . . . c30642_6pv1 1 . 1 . 66 . 1 1 4 NLE CG C -5.213 -6.307 -1.147 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CG . . . . . . . . . c30642_6pv1 1 . 1 . 67 . 1 1 4 NLE H H -6.017 -2.564 -3.034 . . . 1.0 . . . . . . . . . . . . A . 4 NLE H . . . . . . . . . c30642_6pv1 1 . 1 . 68 . 1 1 4 NLE HA H -5.234 -3.616 -0.409 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HA . . . . . . . . . c30642_6pv1 1 . 1 . 69 . 1 1 4 NLE HB2 H -6.016 -5.269 -2.815 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HB2 . . . . . . . . . c30642_6pv1 1 . 1 . 70 . 1 1 4 NLE HB3 H -6.950 -5.099 -1.335 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HB3 . . . . . . . . . c30642_6pv1 1 . 1 . 71 . 1 1 4 NLE HD2 H -5.884 -7.724 -2.600 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HD2 . . . . . . . . . c30642_6pv1 1 . 1 . 72 . 1 1 4 NLE HD3 H -6.869 -7.656 -1.130 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HD3 . . . . . . . . . c30642_6pv1 1 . 1 . 73 . 1 1 4 NLE HE1 H -5.547 -9.710 -1.216 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HE1 . . . . . . . . . c30642_6pv1 1 . 1 . 74 . 1 1 4 NLE HE2 H -5.052 -8.690 0.134 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HE2 . . . . . . . . . c30642_6pv1 1 . 1 . 75 . 1 1 4 NLE HE3 H -4.068 -8.757 -1.329 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HE3 . . . . . . . . . c30642_6pv1 1 . 1 . 76 . 1 1 4 NLE HG2 H -5.214 -6.212 -0.071 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HG2 . . . . . . . . . c30642_6pv1 1 . 1 . 77 . 1 1 4 NLE HG3 H -4.196 -6.305 -1.509 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HG3 . . . . . . . . . c30642_6pv1 1 . 1 . 78 . 1 1 4 NLE N N -6.036 -2.694 -2.062 . . . 1.0 . . . . . . . . . . . . A . 4 NLE N . . . . . . . . . c30642_6pv1 1 . 1 . 79 . 1 1 4 NLE O O -3.645 -3.685 -3.229 . . . 1.0 . . . . . . . . . . . . A . 4 NLE O . . . . . . . . . c30642_6pv1 1 . 1 . 80 . 1 1 5 CYS C C -1.178 -5.432 -1.903 . . . 1.0 . . . . . . . . . . . . A . 5 CYS C . . . . . . . . . c30642_6pv1 1 . 1 . 81 . 1 1 5 CYS CA C -1.515 -4.007 -1.494 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CA . . . . . . . . . c30642_6pv1 1 . 1 . 82 . 1 1 5 CYS CB C -0.629 -3.573 -0.336 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CB . . . . . . . . . c30642_6pv1 1 . 1 . 83 . 1 1 5 CYS H H -3.148 -3.909 -0.167 . . . 1.0 . . . . . . . . . . . . A . 5 CYS H . . . . . . . . . c30642_6pv1 1 . 1 . 84 . 1 1 5 CYS HA H -1.345 -3.353 -2.333 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HA . . . . . . . . . c30642_6pv1 1 . 1 . 85 . 1 1 5 CYS HB2 H -0.807 -2.529 -0.122 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB2 . . . . . . . . . c30642_6pv1 1 . 1 . 86 . 1 1 5 CYS HB3 H -0.873 -4.160 0.534 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB3 . . . . . . . . . c30642_6pv1 1 . 1 . 87 . 1 1 5 CYS N N -2.907 -3.903 -1.120 . . . 1.0 . . . . . . . . . . . . A . 5 CYS N . . . . . . . . . c30642_6pv1 1 . 1 . 88 . 1 1 5 CYS O O -1.023 -6.317 -1.054 . . . 1.0 . . . . . . . . . . . . A . 5 CYS O . . . . . . . . . c30642_6pv1 1 . 1 . 89 . 1 1 5 CYS SG S 1.128 -3.776 -0.663 . . . 1.0 . . . . . . . . . . . . A . 5 CYS SG . . . . . . . . . c30642_6pv1 1 . 1 . 90 . 1 1 6 THR C C 0.759 -7.172 -3.867 . . . 1.0 . . . . . . . . . . . . A . 6 THR C . . . . . . . . . c30642_6pv1 1 . 1 . 91 . 1 1 6 THR CA C -0.749 -6.962 -3.735 . . . 1.0 . . . . . . . . . . . . A . 6 THR CA . . . . . . . . . c30642_6pv1 1 . 1 . 92 . 1 1 6 THR CB C -1.427 -7.165 -5.103 . . . 1.0 . . . . . . . . . . . . A . 6 THR CB . . . . . . . . . c30642_6pv1 1 . 1 . 93 . 1 1 6 THR CG2 C -2.927 -7.366 -4.943 . . . 1.0 . . . . . . . . . . . . A . 6 THR CG2 . . . . . . . . . c30642_6pv1 1 . 1 . 94 . 1 1 6 THR H H -1.174 -4.897 -3.826 . . . 1.0 . . . . . . . . . . . . A . 6 THR H . . . . . . . . . c30642_6pv1 1 . 1 . 95 . 1 1 6 THR HA H -1.144 -7.697 -3.048 . . . 1.0 . . . . . . . . . . . . A . 6 THR HA . . . . . . . . . c30642_6pv1 1 . 1 . 96 . 1 1 6 THR HB H -1.008 -8.046 -5.568 . . . 1.0 . . . . . . . . . . . . A . 6 THR HB . . . . . . . . . c30642_6pv1 1 . 1 . 97 . 1 1 6 THR HG1 H -1.047 -6.332 -6.852 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG1 . . . . . . . . . c30642_6pv1 1 . 1 . 98 . 1 1 6 THR HG21 H -3.111 -8.248 -4.348 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG21 . . . . . . . . . c30642_6pv1 1 . 1 . 99 . 1 1 6 THR HG22 H -3.380 -7.489 -5.917 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG22 . . . . . . . . . c30642_6pv1 1 . 1 . 100 . 1 1 6 THR HG23 H -3.356 -6.504 -4.452 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG23 . . . . . . . . . c30642_6pv1 1 . 1 . 101 . 1 1 6 THR N N -1.054 -5.648 -3.202 . . . 1.0 . . . . . . . . . . . . A . 6 THR N . . . . . . . . . c30642_6pv1 1 . 1 . 102 . 1 1 6 THR O O 1.234 -7.763 -4.838 . . . 1.0 . . . . . . . . . . . . A . 6 THR O . . . . . . . . . c30642_6pv1 1 . 1 . 103 . 1 1 6 THR OG1 O -1.181 -6.030 -5.946 . . . 1.0 . . . . . . . . . . . . A . 6 THR OG1 . . . . . . . . . c30642_6pv1 1 . 1 . 104 . 1 1 7 TRP C C 3.208 -8.333 -2.399 . . . 1.0 . . . . . . . . . . . . A . 7 TRP C . . . . . . . . . c30642_6pv1 1 . 1 . 105 . 1 1 7 TRP CA C 2.943 -6.901 -2.840 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CA . . . . . . . . . c30642_6pv1 1 . 1 . 106 . 1 1 7 TRP CB C 3.602 -5.918 -1.869 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CB . . . . . . . . . c30642_6pv1 1 . 1 . 107 . 1 1 7 TRP CD1 C 5.945 -6.681 -1.154 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD1 . . . . . . . . . c30642_6pv1 1 . 1 . 108 . 1 1 7 TRP CD2 C 5.928 -5.138 -2.771 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD2 . . . . . . . . . c30642_6pv1 1 . 1 . 109 . 1 1 7 TRP CE2 C 7.265 -5.462 -2.475 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE2 . . . . . . . . . c30642_6pv1 1 . 1 . 110 . 1 1 7 TRP CE3 C 5.669 -4.187 -3.759 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE3 . . . . . . . . . c30642_6pv1 1 . 1 . 111 . 1 1 7 TRP CG C 5.100 -5.927 -1.917 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CG . . . . . . . . . c30642_6pv1 1 . 1 . 112 . 1 1 7 TRP CH2 C 8.053 -3.938 -4.094 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CH2 . . . . . . . . . c30642_6pv1 1 . 1 . 113 . 1 1 7 TRP CZ2 C 8.337 -4.867 -3.132 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ2 . . . . . . . . . c30642_6pv1 1 . 1 . 114 . 1 1 7 TRP CZ3 C 6.734 -3.597 -4.411 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ3 . . . . . . . . . c30642_6pv1 1 . 1 . 115 . 1 1 7 TRP H H 1.089 -6.138 -2.190 . . . 1.0 . . . . . . . . . . . . A . 7 TRP H . . . . . . . . . c30642_6pv1 1 . 1 . 116 . 1 1 7 TRP HA H 3.348 -6.752 -3.828 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HA . . . . . . . . . c30642_6pv1 1 . 1 . 117 . 1 1 7 TRP HB2 H 3.270 -4.917 -2.097 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB2 . . . . . . . . . c30642_6pv1 1 . 1 . 118 . 1 1 7 TRP HB3 H 3.300 -6.165 -0.865 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB3 . . . . . . . . . c30642_6pv1 1 . 1 . 119 . 1 1 7 TRP HD1 H 5.619 -7.385 -0.404 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HD1 . . . . . . . . . c30642_6pv1 1 . 1 . 120 . 1 1 7 TRP HE1 H 8.040 -6.822 -1.075 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE1 . . . . . . . . . c30642_6pv1 1 . 1 . 121 . 1 1 7 TRP HE3 H 4.656 -3.912 -4.015 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE3 . . . . . . . . . c30642_6pv1 1 . 1 . 122 . 1 1 7 TRP HH2 H 8.851 -3.450 -4.629 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HH2 . . . . . . . . . c30642_6pv1 1 . 1 . 123 . 1 1 7 TRP HZ2 H 9.361 -5.120 -2.900 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ2 . . . . . . . . . c30642_6pv1 1 . 1 . 124 . 1 1 7 TRP HZ3 H 6.555 -2.860 -5.176 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ3 . . . . . . . . . c30642_6pv1 1 . 1 . 125 . 1 1 7 TRP N N 1.510 -6.673 -2.892 . . . 1.0 . . . . . . . . . . . . A . 7 TRP N . . . . . . . . . c30642_6pv1 1 . 1 . 126 . 1 1 7 TRP NE1 N 7.249 -6.407 -1.484 . . . 1.0 . . . . . . . . . . . . A . 7 TRP NE1 . . . . . . . . . c30642_6pv1 1 . 1 . 127 . 1 1 7 TRP O O 2.334 -8.964 -1.804 . . . 1.0 . . . . . . . . . . . . A . 7 TRP O . . . . . . . . . c30642_6pv1 1 . 1 . 128 . 1 1 8 ABA C C 4.506 -10.489 -0.873 . . . 1.0 . . . . . . . . . . . . A . 8 AIB C . . . . . . . . . c30642_6pv1 1 . 1 . 129 . 1 1 8 ABA CA C 4.840 -10.186 -2.347 . . . 1.0 . . . . . . . . . . . . A . 8 AIB CA . . . . . . . . . c30642_6pv1 1 . 1 . 130 . 1 1 8 ABA H H 5.024 -8.258 -3.215 . . . 1.0 . . . . . . . . . . . . A . 8 AIB H . . . . . . . . . c30642_6pv1 1 . 1 . 131 . 1 1 8 ABA N N 4.404 -8.829 -2.711 . . . 1.0 . . . . . . . . . . . . A . 8 AIB N . . . . . . . . . c30642_6pv1 1 . 1 . 132 . 1 1 8 ABA O O 5.254 -10.110 0.032 . . . 1.0 . . . . . . . . . . . . A . 8 AIB O . . . . . . . . . c30642_6pv1 1 . 1 . 133 . 1 1 9 GLY C C 2.705 -10.450 1.635 . . . 1.0 . . . . . . . . . . . . A . 9 GLY C . . . . . . . . . c30642_6pv1 1 . 1 . 134 . 1 1 9 GLY CA C 3.004 -11.592 0.682 . . . 1.0 . . . . . . . . . . . . A . 9 GLY CA . . . . . . . . . c30642_6pv1 1 . 1 . 135 . 1 1 9 GLY H H 2.774 -11.335 -1.399 . . . 1.0 . . . . . . . . . . . . A . 9 GLY H . . . . . . . . . c30642_6pv1 1 . 1 . 136 . 1 1 9 GLY HA2 H 2.126 -12.216 0.606 . . . 1.0 . . . . . . . . . . . . A . 9 GLY HA2 . . . . . . . . . c30642_6pv1 1 . 1 . 137 . 1 1 9 GLY HA3 H 3.811 -12.182 1.090 . . . 1.0 . . . . . . . . . . . . A . 9 GLY HA3 . . . . . . . . . c30642_6pv1 1 . 1 . 138 . 1 1 9 GLY N N 3.375 -11.153 -0.648 . . . 1.0 . . . . . . . . . . . . A . 9 GLY N . . . . . . . . . c30642_6pv1 1 . 1 . 139 . 1 1 9 GLY O O 3.173 -10.452 2.774 . . . 1.0 . . . . . . . . . . . . A . 9 GLY O . . . . . . . . . c30642_6pv1 1 . 1 . 140 . 1 1 10 CYS C C 0.047 -8.401 2.298 . . . 1.0 . . . . . . . . . . . . A . 10 CYS C . . . . . . . . . c30642_6pv1 1 . 1 . 141 . 1 1 10 CYS CA C 1.550 -8.368 2.039 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CA . . . . . . . . . c30642_6pv1 1 . 1 . 142 . 1 1 10 CYS CB C 1.956 -7.042 1.417 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CB . . . . . . . . . c30642_6pv1 1 . 1 . 143 . 1 1 10 CYS H H 1.637 -9.486 0.244 . . . 1.0 . . . . . . . . . . . . A . 10 CYS H . . . . . . . . . c30642_6pv1 1 . 1 . 144 . 1 1 10 CYS HA H 2.066 -8.486 2.975 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HA . . . . . . . . . c30642_6pv1 1 . 1 . 145 . 1 1 10 CYS HB2 H 2.990 -7.095 1.116 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB2 . . . . . . . . . c30642_6pv1 1 . 1 . 146 . 1 1 10 CYS HB3 H 1.344 -6.863 0.547 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB3 . . . . . . . . . c30642_6pv1 1 . 1 . 147 . 1 1 10 CYS N N 1.940 -9.470 1.180 . . . 1.0 . . . . . . . . . . . . A . 10 CYS N . . . . . . . . . c30642_6pv1 1 . 1 . 148 . 1 1 10 CYS O O -0.385 -8.748 3.399 . . . 1.0 . . . . . . . . . . . . A . 10 CYS O . . . . . . . . . c30642_6pv1 1 . 1 . 149 . 1 1 10 CYS SG S 1.772 -5.621 2.516 . . . 1.0 . . . . . . . . . . . . A . 10 CYS SG . . . . . . . . . c30642_6pv1 1 . 1 . 150 . 1 1 11 GLY C C -2.773 -7.202 2.461 . . . 1.0 . . . . . . . . . . . . A . 11 GLY C . . . . . . . . . c30642_6pv1 1 . 1 . 151 . 1 1 11 GLY CA C -2.188 -8.130 1.412 . . . 1.0 . . . . . . . . . . . . A . 11 GLY CA . . . . . . . . . c30642_6pv1 1 . 1 . 152 . 1 1 11 GLY H H -0.349 -7.706 0.457 . . . 1.0 . . . . . . . . . . . . A . 11 GLY H . . . . . . . . . c30642_6pv1 1 . 1 . 153 . 1 1 11 GLY HA2 H -2.627 -7.888 0.457 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA2 . . . . . . . . . c30642_6pv1 1 . 1 . 154 . 1 1 11 GLY HA3 H -2.449 -9.147 1.664 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA3 . . . . . . . . . c30642_6pv1 1 . 1 . 155 . 1 1 11 GLY N N -0.745 -8.037 1.294 . . . 1.0 . . . . . . . . . . . . A . 11 GLY N . . . . . . . . . c30642_6pv1 1 . 1 . 156 . 1 1 11 GLY O O -3.726 -7.562 3.152 . . . 1.0 . . . . . . . . . . . . A . 11 GLY O . . . . . . . . . c30642_6pv1 1 . 1 . 157 . 1 1 12 LYS C C -3.745 -4.140 2.759 . . . 1.0 . . . . . . . . . . . . A . 12 LYS C . . . . . . . . . c30642_6pv1 1 . 1 . 158 . 1 1 12 LYS CA C -2.739 -5.014 3.502 . . . 1.0 . . . . . . . . . . . . A . 12 LYS CA . . . . . . . . . c30642_6pv1 1 . 1 . 159 . 1 1 12 LYS CB C -1.610 -4.171 4.101 . . . 1.0 . . . . . . . . . . . . A . 12 LYS CB . . . . . . . . . c30642_6pv1 1 . 1 . 160 . 1 1 12 LYS CD C -0.877 -2.690 5.985 . . . 1.0 . . . . . . . . . . . . A . 12 LYS CD . . . . . . . . . c30642_6pv1 1 . 1 . 161 . 1 1 12 LYS CE C -1.327 -1.776 7.113 . . . 1.0 . . . . . . . . . . . . A . 12 LYS CE . . . . . . . . . c30642_6pv1 1 . 1 . 162 . 1 1 12 LYS CG C -2.058 -3.303 5.258 . . . 1.0 . . . . . . . . . . . . A . 12 LYS CG . . . . . . . . . c30642_6pv1 1 . 1 . 163 . 1 1 12 LYS H H -1.402 -5.809 2.071 . . . 1.0 . . . . . . . . . . . . A . 12 LYS H . . . . . . . . . c30642_6pv1 1 . 1 . 164 . 1 1 12 LYS HA H -3.253 -5.531 4.298 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HA . . . . . . . . . c30642_6pv1 1 . 1 . 165 . 1 1 12 LYS HB2 H -0.830 -4.828 4.453 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HB2 . . . . . . . . . c30642_6pv1 1 . 1 . 166 . 1 1 12 LYS HB3 H -1.207 -3.527 3.332 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HB3 . . . . . . . . . c30642_6pv1 1 . 1 . 167 . 1 1 12 LYS HD2 H -0.272 -3.483 6.398 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HD2 . . . . . . . . . c30642_6pv1 1 . 1 . 168 . 1 1 12 LYS HD3 H -0.290 -2.119 5.283 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HD3 . . . . . . . . . c30642_6pv1 1 . 1 . 169 . 1 1 12 LYS HE2 H -0.458 -1.300 7.539 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HE2 . . . . . . . . . c30642_6pv1 1 . 1 . 170 . 1 1 12 LYS HE3 H -1.983 -1.024 6.703 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HE3 . . . . . . . . . c30642_6pv1 1 . 1 . 171 . 1 1 12 LYS HG2 H -2.684 -2.510 4.877 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HG2 . . . . . . . . . c30642_6pv1 1 . 1 . 172 . 1 1 12 LYS HG3 H -2.623 -3.908 5.952 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HG3 . . . . . . . . . c30642_6pv1 1 . 1 . 173 . 1 1 12 LYS HZ1 H -2.379 -1.854 8.916 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HZ1 . . . . . . . . . c30642_6pv1 1 . 1 . 174 . 1 1 12 LYS HZ2 H -1.419 -3.215 8.626 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HZ2 . . . . . . . . . c30642_6pv1 1 . 1 . 175 . 1 1 12 LYS HZ3 H -2.872 -3.012 7.786 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HZ3 . . . . . . . . . c30642_6pv1 1 . 1 . 176 . 1 1 12 LYS N N -2.200 -6.015 2.593 . . . 1.0 . . . . . . . . . . . . A . 12 LYS N . . . . . . . . . c30642_6pv1 1 . 1 . 177 . 1 1 12 LYS NZ N -2.049 -2.515 8.185 . . . 1.0 . . . . . . . . . . . . A . 12 LYS NZ . . . . . . . . . c30642_6pv1 1 . 1 . 178 . 1 1 12 LYS O O -3.493 -3.721 1.629 . . . 1.0 . . . . . . . . . . . . A . 12 LYS O . . . . . . . . . c30642_6pv1 1 . 1 . 179 . 1 1 13 ARG C C -6.204 -1.791 3.259 . . . 1.0 . . . . . . . . . . . . A . 13 ARG C . . . . . . . . . c30642_6pv1 1 . 1 . 180 . 1 1 13 ARG CA C -5.988 -3.197 2.714 . . . 1.0 . . . . . . . . . . . . A . 13 ARG CA . . . . . . . . . c30642_6pv1 1 . 1 . 181 . 1 1 13 ARG CB C -7.277 -4.002 2.861 . . . 1.0 . . . . . . . . . . . . A . 13 ARG CB . . . . . . . . . c30642_6pv1 1 . 1 . 182 . 1 1 13 ARG CD C -8.469 -6.174 2.494 . . . 1.0 . . . . . . . . . . . . A . 13 ARG CD . . . . . . . . . c30642_6pv1 1 . 1 . 183 . 1 1 13 ARG CG C -7.209 -5.375 2.221 . . . 1.0 . . . . . . . . . . . . A . 13 ARG CG . . . . . . . . . c30642_6pv1 1 . 1 . 184 . 1 1 13 ARG CZ C -9.181 -7.510 4.445 . . . 1.0 . . . . . . . . . . . . A . 13 ARG CZ . . . . . . . . . c30642_6pv1 1 . 1 . 185 . 1 1 13 ARG H H -4.991 -4.154 4.320 . . . 1.0 . . . . . . . . . . . . A . 13 ARG H . . . . . . . . . c30642_6pv1 1 . 1 . 186 . 1 1 13 ARG HA H -5.740 -3.125 1.666 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HA . . . . . . . . . c30642_6pv1 1 . 1 . 187 . 1 1 13 ARG HB2 H -7.494 -4.128 3.911 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HB2 . . . . . . . . . c30642_6pv1 1 . 1 . 188 . 1 1 13 ARG HB3 H -8.087 -3.454 2.399 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HB3 . . . . . . . . . c30642_6pv1 1 . 1 . 189 . 1 1 13 ARG HD2 H -9.314 -5.637 2.093 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HD2 . . . . . . . . . c30642_6pv1 1 . 1 . 190 . 1 1 13 ARG HD3 H -8.386 -7.130 2.003 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HD3 . . . . . . . . . c30642_6pv1 1 . 1 . 191 . 1 1 13 ARG HE H -8.441 -5.651 4.531 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HE . . . . . . . . . c30642_6pv1 1 . 1 . 192 . 1 1 13 ARG HG2 H -7.089 -5.260 1.154 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HG2 . . . . . . . . . c30642_6pv1 1 . 1 . 193 . 1 1 13 ARG HG3 H -6.360 -5.907 2.625 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HG3 . . . . . . . . . c30642_6pv1 1 . 1 . 194 . 1 1 13 ARG HH11 H -9.865 -9.380 4.057 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HH11 . . . . . . . . . c30642_6pv1 1 . 1 . 195 . 1 1 13 ARG HH12 H -9.327 -8.485 2.674 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HH12 . . . . . . . . . c30642_6pv1 1 . 1 . 196 . 1 1 13 ARG HH21 H -9.131 -6.832 6.353 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HH21 . . . . . . . . . c30642_6pv1 1 . 1 . 197 . 1 1 13 ARG HH22 H -9.736 -8.448 6.153 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HH22 . . . . . . . . . c30642_6pv1 1 . 1 . 198 . 1 1 13 ARG N N -4.887 -3.883 3.384 . . . 1.0 . . . . . . . . . . . . A . 13 ARG N . . . . . . . . . c30642_6pv1 1 . 1 . 199 . 1 1 13 ARG NE N -8.679 -6.391 3.925 . . . 1.0 . . . . . . . . . . . . A . 13 ARG NE . . . . . . . . . c30642_6pv1 1 . 1 . 200 . 1 1 13 ARG NH1 N -9.484 -8.538 3.662 . . . 1.0 . . . . . . . . . . . . A . 13 ARG NH1 . . . . . . . . . c30642_6pv1 1 . 1 . 201 . 1 1 13 ARG NH2 N -9.367 -7.603 5.753 . . . 1.0 . . . . . . . . . . . . A . 13 ARG NH2 . . . . . . . . . c30642_6pv1 1 . 1 . 202 . 1 1 13 ARG O O -6.022 -1.535 4.452 . . . 1.0 . . . . . . . . . . . . A . 13 ARG O . . . . . . . . . c30642_6pv1 1 . 1 . 203 . 1 1 14 PHE C C -8.134 0.971 2.015 . . . 1.0 . . . . . . . . . . . . A . 14 PHE C . . . . . . . . . c30642_6pv1 1 . 1 . 204 . 1 1 14 PHE CA C -6.857 0.498 2.700 . . . 1.0 . . . . . . . . . . . . A . 14 PHE CA . . . . . . . . . c30642_6pv1 1 . 1 . 205 . 1 1 14 PHE CB C -5.683 1.364 2.237 . . . 1.0 . . . . . . . . . . . . A . 14 PHE CB . . . . . . . . . c30642_6pv1 1 . 1 . 206 . 1 1 14 PHE CD1 C -3.863 1.338 3.946 . . . 1.0 . . . . . . . . . . . . A . 14 PHE CD1 . . . . . . . . . c30642_6pv1 1 . 1 . 207 . 1 1 14 PHE CD2 C -3.611 -0.018 2.001 . . . 1.0 . . . . . . . . . . . . A . 14 PHE CD2 . . . . . . . . . c30642_6pv1 1 . 1 . 208 . 1 1 14 PHE CE1 C -2.645 0.899 4.413 . . . 1.0 . . . . . . . . . . . . A . 14 PHE CE1 . . . . . . . . . c30642_6pv1 1 . 1 . 209 . 1 1 14 PHE CE2 C -2.393 -0.463 2.463 . . . 1.0 . . . . . . . . . . . . A . 14 PHE CE2 . . . . . . . . . c30642_6pv1 1 . 1 . 210 . 1 1 14 PHE CG C -4.358 0.887 2.737 . . . 1.0 . . . . . . . . . . . . A . 14 PHE CG . . . . . . . . . c30642_6pv1 1 . 1 . 211 . 1 1 14 PHE CZ C -1.910 -0.004 3.672 . . . 1.0 . . . . . . . . . . . . A . 14 PHE CZ . . . . . . . . . c30642_6pv1 1 . 1 . 212 . 1 1 14 PHE H H -6.750 -1.186 1.439 . . . 1.0 . . . . . . . . . . . . A . 14 PHE H . . . . . . . . . c30642_6pv1 1 . 1 . 213 . 1 1 14 PHE HA H -6.967 0.581 3.770 . . . 1.0 . . . . . . . . . . . . A . 14 PHE HA . . . . . . . . . c30642_6pv1 1 . 1 . 214 . 1 1 14 PHE HB2 H -5.649 1.369 1.160 . . . 1.0 . . . . . . . . . . . . A . 14 PHE HB2 . . . . . . . . . c30642_6pv1 1 . 1 . 215 . 1 1 14 PHE HB3 H -5.827 2.373 2.593 . . . 1.0 . . . . . . . . . . . . A . 14 PHE HB3 . . . . . . . . . c30642_6pv1 1 . 1 . 216 . 1 1 14 PHE HD1 H -4.441 2.041 4.527 . . . 1.0 . . . . . . . . . . . . A . 14 PHE HD1 . . . . . . . . . c30642_6pv1 1 . 1 . 217 . 1 1 14 PHE HD2 H -3.995 -0.377 1.056 . . . 1.0 . . . . . . . . . . . . A . 14 PHE HD2 . . . . . . . . . c30642_6pv1 1 . 1 . 218 . 1 1 14 PHE HE1 H -2.267 1.258 5.357 . . . 1.0 . . . . . . . . . . . . A . 14 PHE HE1 . . . . . . . . . c30642_6pv1 1 . 1 . 219 . 1 1 14 PHE HE2 H -1.816 -1.169 1.881 . . . 1.0 . . . . . . . . . . . . A . 14 PHE HE2 . . . . . . . . . c30642_6pv1 1 . 1 . 220 . 1 1 14 PHE HZ H -0.955 -0.349 4.034 . . . 1.0 . . . . . . . . . . . . A . 14 PHE HZ . . . . . . . . . c30642_6pv1 1 . 1 . 221 . 1 1 14 PHE N N -6.610 -0.896 2.369 . . . 1.0 . . . . . . . . . . . . A . 14 PHE N . . . . . . . . . c30642_6pv1 1 . 1 . 222 . 1 1 14 PHE O O -8.549 0.411 0.999 . . . 1.0 . . . . . . . . . . . . A . 14 PHE O . . . . . . . . . c30642_6pv1 1 . 1 . 223 . 1 1 15 THR C C -9.564 3.834 1.193 . . . 1.0 . . . . . . . . . . . . A . 15 THR C . . . . . . . . . c30642_6pv1 1 . 1 . 224 . 1 1 15 THR CA C -9.945 2.578 1.977 . . . 1.0 . . . . . . . . . . . . A . 15 THR CA . . . . . . . . . c30642_6pv1 1 . 1 . 225 . 1 1 15 THR CB C -10.983 2.923 3.065 . . . 1.0 . . . . . . . . . . . . A . 15 THR CB . . . . . . . . . c30642_6pv1 1 . 1 . 226 . 1 1 15 THR CG2 C -12.336 3.257 2.454 . . . 1.0 . . . . . . . . . . . . A . 15 THR CG2 . . . . . . . . . c30642_6pv1 1 . 1 . 227 . 1 1 15 THR H H -8.422 2.355 3.424 . . . 1.0 . . . . . . . . . . . . A . 15 THR H . . . . . . . . . c30642_6pv1 1 . 1 . 228 . 1 1 15 THR HA H -10.378 1.855 1.301 . . . 1.0 . . . . . . . . . . . . A . 15 THR HA . . . . . . . . . c30642_6pv1 1 . 1 . 229 . 1 1 15 THR HB H -10.630 3.781 3.619 . . . 1.0 . . . . . . . . . . . . A . 15 THR HB . . . . . . . . . c30642_6pv1 1 . 1 . 230 . 1 1 15 THR HG1 H -11.101 0.988 3.447 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG1 . . . . . . . . . c30642_6pv1 1 . 1 . 231 . 1 1 15 THR HG21 H -12.228 4.085 1.769 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG21 . . . . . . . . . c30642_6pv1 1 . 1 . 232 . 1 1 15 THR HG22 H -13.028 3.527 3.237 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG22 . . . . . . . . . c30642_6pv1 1 . 1 . 233 . 1 1 15 THR HG23 H -12.713 2.395 1.921 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG23 . . . . . . . . . c30642_6pv1 1 . 1 . 234 . 1 1 15 THR N N -8.760 1.990 2.576 . . . 1.0 . . . . . . . . . . . . A . 15 THR N . . . . . . . . . c30642_6pv1 1 . 1 . 235 . 1 1 15 THR O O -10.359 4.382 0.431 . . . 1.0 . . . . . . . . . . . . A . 15 THR O . . . . . . . . . c30642_6pv1 1 . 1 . 236 . 1 1 15 THR OG1 O -11.128 1.810 3.959 . . . 1.0 . . . . . . . . . . . . A . 15 THR OG1 . . . . . . . . . c30642_6pv1 1 . 1 . 237 . 1 1 16 ARG C C -6.642 5.064 -0.213 . . . 1.0 . . . . . . . . . . . . A . 16 ARG C . . . . . . . . . c30642_6pv1 1 . 1 . 238 . 1 1 16 ARG CA C -7.807 5.446 0.697 . . . 1.0 . . . . . . . . . . . . A . 16 ARG CA . . . . . . . . . c30642_6pv1 1 . 1 . 239 . 1 1 16 ARG CB C -7.355 6.493 1.713 . . . 1.0 . . . . . . . . . . . . A . 16 ARG CB . . . . . . . . . c30642_6pv1 1 . 1 . 240 . 1 1 16 ARG CD C -9.335 8.023 1.496 . . . 1.0 . . . . . . . . . . . . A . 16 ARG CD . . . . . . . . . c30642_6pv1 1 . 1 . 241 . 1 1 16 ARG CG C -8.500 7.173 2.441 . . . 1.0 . . . . . . . . . . . . A . 16 ARG CG . . . . . . . . . c30642_6pv1 1 . 1 . 242 . 1 1 16 ARG CZ C -9.003 9.939 -0.032 . . . 1.0 . . . . . . . . . . . . A . 16 ARG CZ . . . . . . . . . c30642_6pv1 1 . 1 . 243 . 1 1 16 ARG H H -7.755 3.808 2.025 . . . 1.0 . . . . . . . . . . . . A . 16 ARG H . . . . . . . . . c30642_6pv1 1 . 1 . 244 . 1 1 16 ARG HA H -8.603 5.857 0.098 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HA . . . . . . . . . c30642_6pv1 1 . 1 . 245 . 1 1 16 ARG HB2 H -6.725 6.016 2.448 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HB2 . . . . . . . . . c30642_6pv1 1 . 1 . 246 . 1 1 16 ARG HB3 H -6.784 7.253 1.201 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HB3 . . . . . . . . . c30642_6pv1 1 . 1 . 247 . 1 1 16 ARG HD2 H -9.837 7.375 0.794 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HD2 . . . . . . . . . c30642_6pv1 1 . 1 . 248 . 1 1 16 ARG HD3 H -10.069 8.563 2.075 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HD3 . . . . . . . . . c30642_6pv1 1 . 1 . 249 . 1 1 16 ARG HE H -7.528 8.901 0.843 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HE . . . . . . . . . c30642_6pv1 1 . 1 . 250 . 1 1 16 ARG HG2 H -9.130 6.413 2.878 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HG2 . . . . . . . . . c30642_6pv1 1 . 1 . 251 . 1 1 16 ARG HG3 H -8.096 7.801 3.219 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HG3 . . . . . . . . . c30642_6pv1 1 . 1 . 252 . 1 1 16 ARG HH11 H -10.945 9.482 0.314 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HH11 . . . . . . . . . c30642_6pv1 1 . 1 . 253 . 1 1 16 ARG HH12 H -10.680 10.806 -0.773 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HH12 . . . . . . . . . c30642_6pv1 1 . 1 . 254 . 1 1 16 ARG HH21 H -7.178 10.632 -0.570 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HH21 . . . . . . . . . c30642_6pv1 1 . 1 . 255 . 1 1 16 ARG HH22 H -8.528 11.471 -1.270 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HH22 . . . . . . . . . c30642_6pv1 1 . 1 . 256 . 1 1 16 ARG N N -8.331 4.277 1.389 . . . 1.0 . . . . . . . . . . . . A . 16 ARG N . . . . . . . . . c30642_6pv1 1 . 1 . 257 . 1 1 16 ARG NE N -8.515 8.982 0.756 . . . 1.0 . . . . . . . . . . . . A . 16 ARG NE . . . . . . . . . c30642_6pv1 1 . 1 . 258 . 1 1 16 ARG NH1 N -10.315 10.089 -0.174 . . . 1.0 . . . . . . . . . . . . A . 16 ARG NH1 . . . . . . . . . c30642_6pv1 1 . 1 . 259 . 1 1 16 ARG NH2 N -8.173 10.745 -0.677 . . . 1.0 . . . . . . . . . . . . A . 16 ARG NH2 . . . . . . . . . c30642_6pv1 1 . 1 . 260 . 1 1 16 ARG O O -5.731 4.329 0.185 . . . 1.0 . . . . . . . . . . . . A . 16 ARG O . . . . . . . . . c30642_6pv1 1 . 1 . 261 . 1 1 17 SER C C -4.327 5.934 -2.014 . . . 1.0 . . . . . . . . . . . . A . 17 SER C . . . . . . . . . c30642_6pv1 1 . 1 . 262 . 1 1 17 SER CA C -5.649 5.308 -2.430 . . . 1.0 . . . . . . . . . . . . A . 17 SER CA . . . . . . . . . c30642_6pv1 1 . 1 . 263 . 1 1 17 SER CB C -6.084 5.849 -3.791 . . . 1.0 . . . . . . . . . . . . A . 17 SER CB . . . . . . . . . c30642_6pv1 1 . 1 . 264 . 1 1 17 SER H H -7.432 6.163 -1.687 . . . 1.0 . . . . . . . . . . . . A . 17 SER H . . . . . . . . . c30642_6pv1 1 . 1 . 265 . 1 1 17 SER HA H -5.522 4.237 -2.499 . . . 1.0 . . . . . . . . . . . . A . 17 SER HA . . . . . . . . . c30642_6pv1 1 . 1 . 266 . 1 1 17 SER HB2 H -5.253 5.803 -4.477 . . . 1.0 . . . . . . . . . . . . A . 17 SER HB2 . . . . . . . . . c30642_6pv1 1 . 1 . 267 . 1 1 17 SER HB3 H -6.898 5.249 -4.172 . . . 1.0 . . . . . . . . . . . . A . 17 SER HB3 . . . . . . . . . c30642_6pv1 1 . 1 . 268 . 1 1 17 SER HG H -7.478 7.231 -3.813 . . . 1.0 . . . . . . . . . . . . A . 17 SER HG . . . . . . . . . c30642_6pv1 1 . 1 . 269 . 1 1 17 SER N N -6.681 5.578 -1.439 . . . 1.0 . . . . . . . . . . . . A . 17 SER N . . . . . . . . . c30642_6pv1 1 . 1 . 270 . 1 1 17 SER O O -3.260 5.363 -2.232 . . . 1.0 . . . . . . . . . . . . A . 17 SER O . . . . . . . . . c30642_6pv1 1 . 1 . 271 . 1 1 17 SER OG O -6.519 7.197 -3.691 . . . 1.0 . . . . . . . . . . . . A . 17 SER OG . . . . . . . . . c30642_6pv1 1 . 1 . 272 . 1 1 18 ASP C C -2.588 6.994 0.214 . . . 1.0 . . . . . . . . . . . . A . 18 ASP C . . . . . . . . . c30642_6pv1 1 . 1 . 273 . 1 1 18 ASP CA C -3.238 7.802 -0.898 . . . 1.0 . . . . . . . . . . . . A . 18 ASP CA . . . . . . . . . c30642_6pv1 1 . 1 . 274 . 1 1 18 ASP CB C -3.609 9.200 -0.396 . . . 1.0 . . . . . . . . . . . . A . 18 ASP CB . . . . . . . . . c30642_6pv1 1 . 1 . 275 . 1 1 18 ASP CG C -4.700 9.179 0.656 . . . 1.0 . . . . . . . . . . . . A . 18 ASP CG . . . . . . . . . c30642_6pv1 1 . 1 . 276 . 1 1 18 ASP H H -5.300 7.522 -1.289 . . . 1.0 . . . . . . . . . . . . A . 18 ASP H . . . . . . . . . c30642_6pv1 1 . 1 . 277 . 1 1 18 ASP HA H -2.535 7.894 -1.713 . . . 1.0 . . . . . . . . . . . . A . 18 ASP HA . . . . . . . . . c30642_6pv1 1 . 1 . 278 . 1 1 18 ASP HB2 H -2.733 9.660 0.035 . . . 1.0 . . . . . . . . . . . . A . 18 ASP HB2 . . . . . . . . . c30642_6pv1 1 . 1 . 279 . 1 1 18 ASP HB3 H -3.948 9.795 -1.230 . . . 1.0 . . . . . . . . . . . . A . 18 ASP HB3 . . . . . . . . . c30642_6pv1 1 . 1 . 280 . 1 1 18 ASP N N -4.414 7.108 -1.403 . . . 1.0 . . . . . . . . . . . . A . 18 ASP N . . . . . . . . . c30642_6pv1 1 . 1 . 281 . 1 1 18 ASP O O -1.365 6.972 0.341 . . . 1.0 . . . . . . . . . . . . A . 18 ASP O . . . . . . . . . c30642_6pv1 1 . 1 . 282 . 1 1 18 ASP OD1 O -5.879 9.006 0.288 . . . 1.0 . . . . . . . . . . . . A . 18 ASP OD1 . . . . . . . . . c30642_6pv1 1 . 1 . 283 . 1 1 18 ASP OD2 O -4.385 9.337 1.854 . . . 1.0 . . . . . . . . . . . . A . 18 ASP OD2 . . . . . . . . . c30642_6pv1 1 . 1 . 284 . 1 1 19 GLU C C -2.168 4.261 1.428 . . . 1.0 . . . . . . . . . . . . A . 19 GLU C . . . . . . . . . c30642_6pv1 1 . 1 . 285 . 1 1 19 GLU CA C -2.934 5.419 2.041 . . . 1.0 . . . . . . . . . . . . A . 19 GLU CA . . . . . . . . . c30642_6pv1 1 . 1 . 286 . 1 1 19 GLU CB C -4.088 4.873 2.879 . . . 1.0 . . . . . . . . . . . . A . 19 GLU CB . . . . . . . . . c30642_6pv1 1 . 1 . 287 . 1 1 19 GLU CD C -3.410 6.171 4.926 . . . 1.0 . . . . . . . . . . . . A . 19 GLU CD . . . . . . . . . c30642_6pv1 1 . 1 . 288 . 1 1 19 GLU CG C -4.538 5.801 3.987 . . . 1.0 . . . . . . . . . . . . A . 19 GLU CG . . . . . . . . . c30642_6pv1 1 . 1 . 289 . 1 1 19 GLU H H -4.380 6.445 0.886 . . . 1.0 . . . . . . . . . . . . A . 19 GLU H . . . . . . . . . c30642_6pv1 1 . 1 . 290 . 1 1 19 GLU HA H -2.269 5.976 2.680 . . . 1.0 . . . . . . . . . . . . A . 19 GLU HA . . . . . . . . . c30642_6pv1 1 . 1 . 291 . 1 1 19 GLU HB2 H -4.932 4.692 2.231 . . . 1.0 . . . . . . . . . . . . A . 19 GLU HB2 . . . . . . . . . c30642_6pv1 1 . 1 . 292 . 1 1 19 GLU HB3 H -3.783 3.938 3.322 . . . 1.0 . . . . . . . . . . . . A . 19 GLU HB3 . . . . . . . . . c30642_6pv1 1 . 1 . 293 . 1 1 19 GLU HG2 H -4.933 6.702 3.546 . . . 1.0 . . . . . . . . . . . . A . 19 GLU HG2 . . . . . . . . . c30642_6pv1 1 . 1 . 294 . 1 1 19 GLU HG3 H -5.312 5.307 4.555 . . . 1.0 . . . . . . . . . . . . A . 19 GLU HG3 . . . . . . . . . c30642_6pv1 1 . 1 . 295 . 1 1 19 GLU N N -3.417 6.322 1.004 . . . 1.0 . . . . . . . . . . . . A . 19 GLU N . . . . . . . . . c30642_6pv1 1 . 1 . 296 . 1 1 19 GLU O O -1.085 3.913 1.894 . . . 1.0 . . . . . . . . . . . . A . 19 GLU O . . . . . . . . . c30642_6pv1 1 . 1 . 297 . 1 1 19 GLU OE1 O -3.021 7.358 4.959 . . . 1.0 . . . . . . . . . . . . A . 19 GLU OE1 . . . . . . . . . c30642_6pv1 1 . 1 . 298 . 1 1 19 GLU OE2 O -2.897 5.276 5.627 . . . 1.0 . . . . . . . . . . . . A . 19 GLU OE2 . . . . . . . . . c30642_6pv1 1 . 1 . 299 . 1 1 20 LEU C C -0.757 2.981 -0.896 . . . 1.0 . . . . . . . . . . . . A . 20 LEU C . . . . . . . . . c30642_6pv1 1 . 1 . 300 . 1 1 20 LEU CA C -2.098 2.558 -0.305 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CA . . . . . . . . . c30642_6pv1 1 . 1 . 301 . 1 1 20 LEU CB C -3.008 2.014 -1.408 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CB . . . . . . . . . c30642_6pv1 1 . 1 . 302 . 1 1 20 LEU CD1 C -1.997 -0.282 -1.519 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CD1 . . . . . . . . . c30642_6pv1 1 . 1 . 303 . 1 1 20 LEU CD2 C -3.293 0.598 -3.464 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CD2 . . . . . . . . . c30642_6pv1 1 . 1 . 304 . 1 1 20 LEU CG C -2.366 0.960 -2.315 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CG . . . . . . . . . c30642_6pv1 1 . 1 . 305 . 1 1 20 LEU H H -3.627 3.970 0.088 . . . 1.0 . . . . . . . . . . . . A . 20 LEU H . . . . . . . . . c30642_6pv1 1 . 1 . 306 . 1 1 20 LEU HA H -1.921 1.776 0.419 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HA . . . . . . . . . c30642_6pv1 1 . 1 . 307 . 1 1 20 LEU HB2 H -3.881 1.580 -0.942 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HB2 . . . . . . . . . c30642_6pv1 1 . 1 . 308 . 1 1 20 LEU HB3 H -3.326 2.842 -2.024 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HB3 . . . . . . . . . c30642_6pv1 1 . 1 . 309 . 1 1 20 LEU HD11 H -1.280 -0.019 -0.754 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD11 . . . . . . . . . c30642_6pv1 1 . 1 . 310 . 1 1 20 LEU HD12 H -1.563 -1.016 -2.181 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD12 . . . . . . . . . c30642_6pv1 1 . 1 . 311 . 1 1 20 LEU HD13 H -2.882 -0.692 -1.058 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD13 . . . . . . . . . c30642_6pv1 1 . 1 . 312 . 1 1 20 LEU HD21 H -3.598 1.498 -3.980 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD21 . . . . . . . . . c30642_6pv1 1 . 1 . 313 . 1 1 20 LEU HD22 H -4.163 0.089 -3.080 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD22 . . . . . . . . . c30642_6pv1 1 . 1 . 314 . 1 1 20 LEU HD23 H -2.773 -0.052 -4.155 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD23 . . . . . . . . . c30642_6pv1 1 . 1 . 315 . 1 1 20 LEU HG H -1.455 1.367 -2.734 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HG . . . . . . . . . c30642_6pv1 1 . 1 . 316 . 1 1 20 LEU N N -2.741 3.665 0.389 . . . 1.0 . . . . . . . . . . . . A . 20 LEU N . . . . . . . . . c30642_6pv1 1 . 1 . 317 . 1 1 20 LEU O O 0.243 2.291 -0.722 . . . 1.0 . . . . . . . . . . . . A . 20 LEU O . . . . . . . . . c30642_6pv1 1 . 1 . 318 . 1 1 21 GLN C C 1.542 4.915 -1.145 . . . 1.0 . . . . . . . . . . . . A . 21 GLN C . . . . . . . . . c30642_6pv1 1 . 1 . 319 . 1 1 21 GLN CA C 0.494 4.598 -2.208 . . . 1.0 . . . . . . . . . . . . A . 21 GLN CA . . . . . . . . . c30642_6pv1 1 . 1 . 320 . 1 1 21 GLN CB C 0.227 5.835 -3.071 . . . 1.0 . . . . . . . . . . . . A . 21 GLN CB . . . . . . . . . c30642_6pv1 1 . 1 . 321 . 1 1 21 GLN CD C -0.459 4.361 -5.019 . . . 1.0 . . . . . . . . . . . . A . 21 GLN CD . . . . . . . . . c30642_6pv1 1 . 1 . 322 . 1 1 21 GLN CG C -0.766 5.599 -4.197 . . . 1.0 . . . . . . . . . . . . A . 21 GLN CG . . . . . . . . . c30642_6pv1 1 . 1 . 323 . 1 1 21 GLN H H -1.566 4.636 -1.678 . . . 1.0 . . . . . . . . . . . . A . 21 GLN H . . . . . . . . . c30642_6pv1 1 . 1 . 324 . 1 1 21 GLN HA H 0.871 3.809 -2.838 . . . 1.0 . . . . . . . . . . . . A . 21 GLN HA . . . . . . . . . c30642_6pv1 1 . 1 . 325 . 1 1 21 GLN HB2 H -0.161 6.621 -2.441 . . . 1.0 . . . . . . . . . . . . A . 21 GLN HB2 . . . . . . . . . c30642_6pv1 1 . 1 . 326 . 1 1 21 GLN HB3 H 1.160 6.162 -3.507 . . . 1.0 . . . . . . . . . . . . A . 21 GLN HB3 . . . . . . . . . c30642_6pv1 1 . 1 . 327 . 1 1 21 GLN HE21 H -2.386 4.143 -5.442 . . . 1.0 . . . . . . . . . . . . A . 21 GLN HE21 . . . . . . . . . c30642_6pv1 1 . 1 . 328 . 1 1 21 GLN HE22 H -1.327 2.948 -6.106 . . . 1.0 . . . . . . . . . . . . A . 21 GLN HE22 . . . . . . . . . c30642_6pv1 1 . 1 . 329 . 1 1 21 GLN HG2 H -1.751 5.492 -3.773 . . . 1.0 . . . . . . . . . . . . A . 21 GLN HG2 . . . . . . . . . c30642_6pv1 1 . 1 . 330 . 1 1 21 GLN HG3 H -0.752 6.457 -4.853 . . . 1.0 . . . . . . . . . . . . A . 21 GLN HG3 . . . . . . . . . c30642_6pv1 1 . 1 . 331 . 1 1 21 GLN N N -0.736 4.116 -1.585 . . . 1.0 . . . . . . . . . . . . A . 21 GLN N . . . . . . . . . c30642_6pv1 1 . 1 . 332 . 1 1 21 GLN NE2 N -1.492 3.757 -5.580 . . . 1.0 . . . . . . . . . . . . A . 21 GLN NE2 . . . . . . . . . c30642_6pv1 1 . 1 . 333 . 1 1 21 GLN O O 2.703 4.510 -1.259 . . . 1.0 . . . . . . . . . . . . A . 21 GLN O . . . . . . . . . c30642_6pv1 1 . 1 . 334 . 1 1 21 GLN OE1 O 0.695 3.956 -5.157 . . . 1.0 . . . . . . . . . . . . A . 21 GLN OE1 . . . . . . . . . c30642_6pv1 1 . 1 . 335 . 1 1 22 ARG C C 2.572 4.647 1.591 . . . 1.0 . . . . . . . . . . . . A . 22 ARG C . . . . . . . . . c30642_6pv1 1 . 1 . 336 . 1 1 22 ARG CA C 1.959 5.928 1.041 . . . 1.0 . . . . . . . . . . . . A . 22 ARG CA . . . . . . . . . c30642_6pv1 1 . 1 . 337 . 1 1 22 ARG CB C 1.120 6.622 2.118 . . . 1.0 . . . . . . . . . . . . A . 22 ARG CB . . . . . . . . . c30642_6pv1 1 . 1 . 338 . 1 1 22 ARG CD C 0.898 7.471 4.458 . . . 1.0 . . . . . . . . . . . . A . 22 ARG CD . . . . . . . . . c30642_6pv1 1 . 1 . 339 . 1 1 22 ARG CG C 1.845 6.871 3.430 . . . 1.0 . . . . . . . . . . . . A . 22 ARG CG . . . . . . . . . c30642_6pv1 1 . 1 . 340 . 1 1 22 ARG CZ C 0.803 7.469 6.921 . . . 1.0 . . . . . . . . . . . . A . 22 ARG CZ . . . . . . . . . c30642_6pv1 1 . 1 . 341 . 1 1 22 ARG H H 0.188 5.959 -0.112 . . . 1.0 . . . . . . . . . . . . A . 22 ARG H . . . . . . . . . c30642_6pv1 1 . 1 . 342 . 1 1 22 ARG HA H 2.745 6.590 0.719 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HA . . . . . . . . . c30642_6pv1 1 . 1 . 343 . 1 1 22 ARG HB2 H 0.787 7.573 1.736 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HB2 . . . . . . . . . c30642_6pv1 1 . 1 . 344 . 1 1 22 ARG HB3 H 0.255 6.009 2.324 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HB3 . . . . . . . . . c30642_6pv1 1 . 1 . 345 . 1 1 22 ARG HD2 H 0.624 8.463 4.137 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HD2 . . . . . . . . . c30642_6pv1 1 . 1 . 346 . 1 1 22 ARG HD3 H 0.012 6.854 4.514 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HD3 . . . . . . . . . c30642_6pv1 1 . 1 . 347 . 1 1 22 ARG HE H 2.476 7.693 5.832 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HE . . . . . . . . . c30642_6pv1 1 . 1 . 348 . 1 1 22 ARG HG2 H 2.231 5.934 3.806 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HG2 . . . . . . . . . c30642_6pv1 1 . 1 . 349 . 1 1 22 ARG HG3 H 2.660 7.558 3.258 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HG3 . . . . . . . . . c30642_6pv1 1 . 1 . 350 . 1 1 22 ARG HH11 H -1.038 7.225 7.743 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HH11 . . . . . . . . . c30642_6pv1 1 . 1 . 351 . 1 1 22 ARG HH12 H -0.997 7.229 6.009 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HH12 . . . . . . . . . c30642_6pv1 1 . 1 . 352 . 1 1 22 ARG HH21 H 0.906 7.493 8.945 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HH21 . . . . . . . . . c30642_6pv1 1 . 1 . 353 . 1 1 22 ARG HH22 H 2.420 7.701 8.124 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HH22 . . . . . . . . . c30642_6pv1 1 . 1 . 354 . 1 1 22 ARG N N 1.112 5.627 -0.107 . . . 1.0 . . . . . . . . . . . . A . 22 ARG N . . . . . . . . . c30642_6pv1 1 . 1 . 355 . 1 1 22 ARG NE N 1.499 7.558 5.785 . . . 1.0 . . . . . . . . . . . . A . 22 ARG NE . . . . . . . . . c30642_6pv1 1 . 1 . 356 . 1 1 22 ARG NH1 N -0.516 7.293 6.888 . . . 1.0 . . . . . . . . . . . . A . 22 ARG NH1 . . . . . . . . . c30642_6pv1 1 . 1 . 357 . 1 1 22 ARG NH2 N 1.426 7.559 8.090 . . . 1.0 . . . . . . . . . . . . A . 22 ARG NH2 . . . . . . . . . c30642_6pv1 1 . 1 . 358 . 1 1 22 ARG O O 3.787 4.544 1.763 . . . 1.0 . . . . . . . . . . . . A . 22 ARG O . . . . . . . . . c30642_6pv1 1 . 1 . 359 . 1 1 23 HIS C C 3.144 1.719 1.376 . . . 1.0 . . . . . . . . . . . . A . 23 HIS C . . . . . . . . . c30642_6pv1 1 . 1 . 360 . 1 1 23 HIS CA C 2.130 2.368 2.320 . . . 1.0 . . . . . . . . . . . . A . 23 HIS CA . . . . . . . . . c30642_6pv1 1 . 1 . 361 . 1 1 23 HIS CB C 0.895 1.470 2.503 . . . 1.0 . . . . . . . . . . . . A . 23 HIS CB . . . . . . . . . c30642_6pv1 1 . 1 . 362 . 1 1 23 HIS CD2 C 1.445 -0.901 1.693 . . . 1.0 . . . . . . . . . . . . A . 23 HIS CD2 . . . . . . . . . c30642_6pv1 1 . 1 . 363 . 1 1 23 HIS CE1 C 1.744 -1.908 3.597 . . . 1.0 . . . . . . . . . . . . A . 23 HIS CE1 . . . . . . . . . c30642_6pv1 1 . 1 . 364 . 1 1 23 HIS CG C 1.217 0.020 2.655 . . . 1.0 . . . . . . . . . . . . A . 23 HIS CG . . . . . . . . . c30642_6pv1 1 . 1 . 365 . 1 1 23 HIS H H 0.757 3.818 1.644 . . . 1.0 . . . . . . . . . . . . A . 23 HIS H . . . . . . . . . c30642_6pv1 1 . 1 . 366 . 1 1 23 HIS HA H 2.599 2.517 3.280 . . . 1.0 . . . . . . . . . . . . A . 23 HIS HA . . . . . . . . . c30642_6pv1 1 . 1 . 367 . 1 1 23 HIS HB2 H 0.354 1.783 3.380 . . . 1.0 . . . . . . . . . . . . A . 23 HIS HB2 . . . . . . . . . c30642_6pv1 1 . 1 . 368 . 1 1 23 HIS HB3 H 0.256 1.577 1.637 . . . 1.0 . . . . . . . . . . . . A . 23 HIS HB3 . . . . . . . . . c30642_6pv1 1 . 1 . 369 . 1 1 23 HIS HD1 H 1.307 -0.234 4.765 . . . 1.0 . . . . . . . . . . . . A . 23 HIS HD1 . . . . . . . . . c30642_6pv1 1 . 1 . 370 . 1 1 23 HIS HD2 H 1.354 -0.748 0.629 . . . 1.0 . . . . . . . . . . . . A . 23 HIS HD2 . . . . . . . . . c30642_6pv1 1 . 1 . 371 . 1 1 23 HIS HE1 H 1.944 -2.671 4.333 . . . 1.0 . . . . . . . . . . . . A . 23 HIS HE1 . . . . . . . . . c30642_6pv1 1 . 1 . 372 . 1 1 23 HIS N N 1.713 3.666 1.823 . . . 1.0 . . . . . . . . . . . . A . 23 HIS N . . . . . . . . . c30642_6pv1 1 . 1 . 373 . 1 1 23 HIS ND1 N 1.400 -0.634 3.870 . . . 1.0 . . . . . . . . . . . . A . 23 HIS ND1 . . . . . . . . . c30642_6pv1 1 . 1 . 374 . 1 1 23 HIS NE2 N 1.775 -2.080 2.301 . . . 1.0 . . . . . . . . . . . . A . 23 HIS NE2 . . . . . . . . . c30642_6pv1 1 . 1 . 375 . 1 1 23 HIS O O 4.177 1.221 1.816 . . . 1.0 . . . . . . . . . . . . A . 23 HIS O . . . . . . . . . c30642_6pv1 1 . 1 . 376 . 1 1 24 LYS C C 5.130 1.691 -0.867 . . . 1.0 . . . . . . . . . . . . A . 24 LYS C . . . . . . . . . c30642_6pv1 1 . 1 . 377 . 1 1 24 LYS CA C 3.716 1.134 -0.930 . . . 1.0 . . . . . . . . . . . . A . 24 LYS CA . . . . . . . . . c30642_6pv1 1 . 1 . 378 . 1 1 24 LYS CB C 3.155 1.351 -2.336 . . . 1.0 . . . . . . . . . . . . A . 24 LYS CB . . . . . . . . . c30642_6pv1 1 . 1 . 379 . 1 1 24 LYS CD C 2.364 -1.005 -2.714 . . . 1.0 . . . . . . . . . . . . A . 24 LYS CD . . . . . . . . . c30642_6pv1 1 . 1 . 380 . 1 1 24 LYS CE C 1.291 -1.859 -3.364 . . . 1.0 . . . . . . . . . . . . A . 24 LYS CE . . . . . . . . . c30642_6pv1 1 . 1 . 381 . 1 1 24 LYS CG C 1.971 0.465 -2.687 . . . 1.0 . . . . . . . . . . . . A . 24 LYS CG . . . . . . . . . c30642_6pv1 1 . 1 . 382 . 1 1 24 LYS H H 2.014 2.179 -0.209 . . . 1.0 . . . . . . . . . . . . A . 24 LYS H . . . . . . . . . c30642_6pv1 1 . 1 . 383 . 1 1 24 LYS HA H 3.757 0.077 -0.731 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HA . . . . . . . . . c30642_6pv1 1 . 1 . 384 . 1 1 24 LYS HB2 H 2.842 2.380 -2.425 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HB2 . . . . . . . . . c30642_6pv1 1 . 1 . 385 . 1 1 24 LYS HB3 H 3.940 1.162 -3.052 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HB3 . . . . . . . . . c30642_6pv1 1 . 1 . 386 . 1 1 24 LYS HD2 H 3.281 -1.111 -3.271 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HD2 . . . . . . . . . c30642_6pv1 1 . 1 . 387 . 1 1 24 LYS HD3 H 2.514 -1.345 -1.700 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HD3 . . . . . . . . . c30642_6pv1 1 . 1 . 388 . 1 1 24 LYS HE2 H 1.588 -2.896 -3.301 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HE2 . . . . . . . . . c30642_6pv1 1 . 1 . 389 . 1 1 24 LYS HE3 H 0.364 -1.720 -2.829 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HE3 . . . . . . . . . c30642_6pv1 1 . 1 . 390 . 1 1 24 LYS HG2 H 1.196 0.605 -1.949 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HG2 . . . . . . . . . c30642_6pv1 1 . 1 . 391 . 1 1 24 LYS HG3 H 1.598 0.746 -3.661 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HG3 . . . . . . . . . c30642_6pv1 1 . 1 . 392 . 1 1 24 LYS HZ1 H 1.987 -1.545 -5.305 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HZ1 . . . . . . . . . c30642_6pv1 1 . 1 . 393 . 1 1 24 LYS HZ2 H 0.697 -0.545 -4.871 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HZ2 . . . . . . . . . c30642_6pv1 1 . 1 . 394 . 1 1 24 LYS HZ3 H 0.420 -2.174 -5.232 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HZ3 . . . . . . . . . c30642_6pv1 1 . 1 . 395 . 1 1 24 LYS N N 2.848 1.743 0.080 . . . 1.0 . . . . . . . . . . . . A . 24 LYS N . . . . . . . . . c30642_6pv1 1 . 1 . 396 . 1 1 24 LYS NZ N 1.084 -1.505 -4.791 . . . 1.0 . . . . . . . . . . . . A . 24 LYS NZ . . . . . . . . . c30642_6pv1 1 . 1 . 397 . 1 1 24 LYS O O 6.100 0.999 -1.203 . . . 1.0 . . . . . . . . . . . . A . 24 LYS O . . . . . . . . . c30642_6pv1 1 . 1 . 398 . 1 1 25 ARG C C 7.473 2.883 0.647 . . . 1.0 . . . . . . . . . . . . A . 25 ARG C . . . . . . . . . c30642_6pv1 1 . 1 . 399 . 1 1 25 ARG CA C 6.548 3.588 -0.343 . . . 1.0 . . . . . . . . . . . . A . 25 ARG CA . . . . . . . . . c30642_6pv1 1 . 1 . 400 . 1 1 25 ARG CB C 6.383 5.058 0.035 . . . 1.0 . . . . . . . . . . . . A . 25 ARG CB . . . . . . . . . c30642_6pv1 1 . 1 . 401 . 1 1 25 ARG CD C 5.598 7.326 -0.711 . . . 1.0 . . . . . . . . . . . . A . 25 ARG CD . . . . . . . . . c30642_6pv1 1 . 1 . 402 . 1 1 25 ARG CG C 5.484 5.828 -0.919 . . . 1.0 . . . . . . . . . . . . A . 25 ARG CG . . . . . . . . . c30642_6pv1 1 . 1 . 403 . 1 1 25 ARG CZ C 7.417 8.996 -0.813 . . . 1.0 . . . . . . . . . . . . A . 25 ARG CZ . . . . . . . . . c30642_6pv1 1 . 1 . 404 . 1 1 25 ARG H H 4.443 3.425 -0.128 . . . 1.0 . . . . . . . . . . . . A . 25 ARG H . . . . . . . . . c30642_6pv1 1 . 1 . 405 . 1 1 25 ARG HA H 6.992 3.531 -1.324 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HA . . . . . . . . . c30642_6pv1 1 . 1 . 406 . 1 1 25 ARG HB2 H 5.955 5.116 1.026 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HB2 . . . . . . . . . c30642_6pv1 1 . 1 . 407 . 1 1 25 ARG HB3 H 7.352 5.528 0.044 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HB3 . . . . . . . . . c30642_6pv1 1 . 1 . 408 . 1 1 25 ARG HD2 H 4.792 7.814 -1.240 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HD2 . . . . . . . . . c30642_6pv1 1 . 1 . 409 . 1 1 25 ARG HD3 H 5.518 7.538 0.344 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HD3 . . . . . . . . . c30642_6pv1 1 . 1 . 410 . 1 1 25 ARG HE H 7.343 7.298 -1.881 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HE . . . . . . . . . c30642_6pv1 1 . 1 . 411 . 1 1 25 ARG HG2 H 5.771 5.593 -1.933 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HG2 . . . . . . . . . c30642_6pv1 1 . 1 . 412 . 1 1 25 ARG HG3 H 4.460 5.526 -0.754 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HG3 . . . . . . . . . c30642_6pv1 1 . 1 . 413 . 1 1 25 ARG HH11 H 7.229 10.613 0.397 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HH11 . . . . . . . . . c30642_6pv1 1 . 1 . 414 . 1 1 25 ARG HH12 H 5.946 9.451 0.508 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HH12 . . . . . . . . . c30642_6pv1 1 . 1 . 415 . 1 1 25 ARG HH21 H 9.023 8.836 -2.042 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HH21 . . . . . . . . . c30642_6pv1 1 . 1 . 416 . 1 1 25 ARG HH22 H 8.981 10.263 -1.052 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HH22 . . . . . . . . . c30642_6pv1 1 . 1 . 417 . 1 1 25 ARG N N 5.251 2.934 -0.416 . . . 1.0 . . . . . . . . . . . . A . 25 ARG N . . . . . . . . . c30642_6pv1 1 . 1 . 418 . 1 1 25 ARG NE N 6.871 7.843 -1.204 . . . 1.0 . . . . . . . . . . . . A . 25 ARG NE . . . . . . . . . c30642_6pv1 1 . 1 . 419 . 1 1 25 ARG NH1 N 6.816 9.746 0.105 . . . 1.0 . . . . . . . . . . . . A . 25 ARG NH1 . . . . . . . . . c30642_6pv1 1 . 1 . 420 . 1 1 25 ARG NH2 N 8.565 9.397 -1.345 . . . 1.0 . . . . . . . . . . . . A . 25 ARG NH2 . . . . . . . . . c30642_6pv1 1 . 1 . 421 . 1 1 25 ARG O O 8.691 3.050 0.592 . . . 1.0 . . . . . . . . . . . . A . 25 ARG O . . . . . . . . . c30642_6pv1 1 . 1 . 422 . 1 1 26 THR C C 8.321 0.101 1.856 . . . 1.0 . . . . . . . . . . . . A . 26 THR C . . . . . . . . . c30642_6pv1 1 . 1 . 423 . 1 1 26 THR CA C 7.707 1.342 2.504 . . . 1.0 . . . . . . . . . . . . A . 26 THR CA . . . . . . . . . c30642_6pv1 1 . 1 . 424 . 1 1 26 THR CB C 6.892 0.926 3.747 . . . 1.0 . . . . . . . . . . . . A . 26 THR CB . . . . . . . . . c30642_6pv1 1 . 1 . 425 . 1 1 26 THR CG2 C 6.312 2.144 4.450 . . . 1.0 . . . . . . . . . . . . A . 26 THR CG2 . . . . . . . . . c30642_6pv1 1 . 1 . 426 . 1 1 26 THR H H 5.925 1.983 1.548 . . . 1.0 . . . . . . . . . . . . A . 26 THR H . . . . . . . . . c30642_6pv1 1 . 1 . 427 . 1 1 26 THR HA H 8.506 1.992 2.827 . . . 1.0 . . . . . . . . . . . . A . 26 THR HA . . . . . . . . . c30642_6pv1 1 . 1 . 428 . 1 1 26 THR HB H 7.550 0.415 4.433 . . . 1.0 . . . . . . . . . . . . A . 26 THR HB . . . . . . . . . c30642_6pv1 1 . 1 . 429 . 1 1 26 THR HG1 H 5.126 0.545 2.943 . . . 1.0 . . . . . . . . . . . . A . 26 THR HG1 . . . . . . . . . c30642_6pv1 1 . 1 . 430 . 1 1 26 THR HG21 H 7.111 2.816 4.726 . . . 1.0 . . . . . . . . . . . . A . 26 THR HG21 . . . . . . . . . c30642_6pv1 1 . 1 . 431 . 1 1 26 THR HG22 H 5.784 1.829 5.339 . . . 1.0 . . . . . . . . . . . . A . 26 THR HG22 . . . . . . . . . c30642_6pv1 1 . 1 . 432 . 1 1 26 THR HG23 H 5.627 2.652 3.787 . . . 1.0 . . . . . . . . . . . . A . 26 THR HG23 . . . . . . . . . c30642_6pv1 1 . 1 . 433 . 1 1 26 THR N N 6.903 2.080 1.541 . . . 1.0 . . . . . . . . . . . . A . 26 THR N . . . . . . . . . c30642_6pv1 1 . 1 . 434 . 1 1 26 THR O O 9.338 -0.415 2.323 . . . 1.0 . . . . . . . . . . . . A . 26 THR O . . . . . . . . . c30642_6pv1 1 . 1 . 435 . 1 1 26 THR OG1 O 5.831 0.040 3.374 . . . 1.0 . . . . . . . . . . . . A . 26 THR OG1 . . . . . . . . . c30642_6pv1 1 . 1 . 436 . 1 1 27 HIS C C 9.339 -1.079 -0.896 . . . 1.0 . . . . . . . . . . . . A . 27 HIS C . . . . . . . . . c30642_6pv1 1 . 1 . 437 . 1 1 27 HIS CA C 8.233 -1.519 0.044 . . . 1.0 . . . . . . . . . . . . A . 27 HIS CA . . . . . . . . . c30642_6pv1 1 . 1 . 438 . 1 1 27 HIS CB C 7.148 -2.215 -0.778 . . . 1.0 . . . . . . . . . . . . A . 27 HIS CB . . . . . . . . . c30642_6pv1 1 . 1 . 439 . 1 1 27 HIS CD2 C 4.776 -2.677 0.088 . . . 1.0 . . . . . . . . . . . . A . 27 HIS CD2 . . . . . . . . . c30642_6pv1 1 . 1 . 440 . 1 1 27 HIS CE1 C 5.149 -4.433 1.320 . . . 1.0 . . . . . . . . . . . . A . 27 HIS CE1 . . . . . . . . . c30642_6pv1 1 . 1 . 441 . 1 1 27 HIS CG C 6.102 -2.919 0.020 . . . 1.0 . . . . . . . . . . . . A . 27 HIS CG . . . . . . . . . c30642_6pv1 1 . 1 . 442 . 1 1 27 HIS H H 6.893 0.073 0.450 . . . 1.0 . . . . . . . . . . . . A . 27 HIS H . . . . . . . . . c30642_6pv1 1 . 1 . 443 . 1 1 27 HIS HA H 8.637 -2.215 0.763 . . . 1.0 . . . . . . . . . . . . A . 27 HIS HA . . . . . . . . . c30642_6pv1 1 . 1 . 444 . 1 1 27 HIS HB2 H 6.646 -1.478 -1.387 . . . 1.0 . . . . . . . . . . . . A . 27 HIS HB2 . . . . . . . . . c30642_6pv1 1 . 1 . 445 . 1 1 27 HIS HB3 H 7.615 -2.945 -1.425 . . . 1.0 . . . . . . . . . . . . A . 27 HIS HB3 . . . . . . . . . c30642_6pv1 1 . 1 . 446 . 1 1 27 HIS HD1 H 7.201 -4.470 0.971 . . . 1.0 . . . . . . . . . . . . A . 27 HIS HD1 . . . . . . . . . c30642_6pv1 1 . 1 . 447 . 1 1 27 HIS HD2 H 4.243 -1.888 -0.416 . . . 1.0 . . . . . . . . . . . . A . 27 HIS HD2 . . . . . . . . . c30642_6pv1 1 . 1 . 448 . 1 1 27 HIS HE1 H 4.998 -5.288 1.962 . . . 1.0 . . . . . . . . . . . . A . 27 HIS HE1 . . . . . . . . . c30642_6pv1 1 . 1 . 449 . 1 1 27 HIS N N 7.708 -0.370 0.773 . . . 1.0 . . . . . . . . . . . . A . 27 HIS N . . . . . . . . . c30642_6pv1 1 . 1 . 450 . 1 1 27 HIS ND1 N 6.332 -4.039 0.813 . . . 1.0 . . . . . . . . . . . . A . 27 HIS ND1 . . . . . . . . . c30642_6pv1 1 . 1 . 451 . 1 1 27 HIS NE2 N 4.209 -3.630 0.899 . . . 1.0 . . . . . . . . . . . . A . 27 HIS NE2 . . . . . . . . . c30642_6pv1 1 . 1 . 452 . 1 1 27 HIS O O 10.385 -1.721 -0.987 . . . 1.0 . . . . . . . . . . . . A . 27 HIS O . . . . . . . . . c30642_6pv1 1 . 1 . 453 . 1 1 28 THR C C 11.302 1.068 -1.848 . . . 1.0 . . . . . . . . . . . . A . 28 THR C . . . . . . . . . c30642_6pv1 1 . 1 . 454 . 1 1 28 THR CA C 10.058 0.537 -2.551 . . . 1.0 . . . . . . . . . . . . A . 28 THR CA . . . . . . . . . c30642_6pv1 1 . 1 . 455 . 1 1 28 THR CB C 9.431 1.637 -3.422 . . . 1.0 . . . . . . . . . . . . A . 28 THR CB . . . . . . . . . c30642_6pv1 1 . 1 . 456 . 1 1 28 THR CG2 C 8.592 1.030 -4.535 . . . 1.0 . . . . . . . . . . . . A . 28 THR CG2 . . . . . . . . . c30642_6pv1 1 . 1 . 457 . 1 1 28 THR H H 8.243 0.495 -1.474 . . . 1.0 . . . . . . . . . . . . A . 28 THR H . . . . . . . . . c30642_6pv1 1 . 1 . 458 . 1 1 28 THR HA H 10.351 -0.277 -3.197 . . . 1.0 . . . . . . . . . . . . A . 28 THR HA . . . . . . . . . c30642_6pv1 1 . 1 . 459 . 1 1 28 THR HB H 10.223 2.220 -3.863 . . . 1.0 . . . . . . . . . . . . A . 28 THR HB . . . . . . . . . c30642_6pv1 1 . 1 . 460 . 1 1 28 THR HG1 H 7.899 2.855 -3.148 . . . 1.0 . . . . . . . . . . . . A . 28 THR HG1 . . . . . . . . . c30642_6pv1 1 . 1 . 461 . 1 1 28 THR HG21 H 7.805 0.426 -4.107 . . . 1.0 . . . . . . . . . . . . A . 28 THR HG21 . . . . . . . . . c30642_6pv1 1 . 1 . 462 . 1 1 28 THR HG22 H 9.219 0.411 -5.163 . . . 1.0 . . . . . . . . . . . . A . 28 THR HG22 . . . . . . . . . c30642_6pv1 1 . 1 . 463 . 1 1 28 THR HG23 H 8.158 1.819 -5.129 . . . 1.0 . . . . . . . . . . . . A . 28 THR HG23 . . . . . . . . . c30642_6pv1 1 . 1 . 464 . 1 1 28 THR N N 9.096 0.019 -1.598 . . . 1.0 . . . . . . . . . . . . A . 28 THR N . . . . . . . . . c30642_6pv1 1 . 1 . 465 . 1 1 28 THR O O 12.410 0.992 -2.381 . . . 1.0 . . . . . . . . . . . . A . 28 THR O . . . . . . . . . c30642_6pv1 1 . 1 . 466 . 1 1 28 THR OG1 O 8.614 2.493 -2.611 . . . 1.0 . . . . . . . . . . . . A . 28 THR OG1 . . . . . . . . . c30642_6pv1 1 . 1 . 467 . 1 1 29 GLY C C 12.340 3.545 0.191 . . . 1.0 . . . . . . . . . . . . A . 29 GLY C . . . . . . . . . c30642_6pv1 1 . 1 . 468 . 1 1 29 GLY CA C 12.236 2.039 0.148 . . . 1.0 . . . . . . . . . . . . A . 29 GLY CA . . . . . . . . . c30642_6pv1 1 . 1 . 469 . 1 1 29 GLY H H 10.203 1.661 -0.289 . . . 1.0 . . . . . . . . . . . . A . 29 GLY H . . . . . . . . . c30642_6pv1 1 . 1 . 470 . 1 1 29 GLY HA2 H 12.128 1.667 1.154 . . . 1.0 . . . . . . . . . . . . A . 29 GLY HA2 . . . . . . . . . c30642_6pv1 1 . 1 . 471 . 1 1 29 GLY HA3 H 13.144 1.639 -0.278 . . . 1.0 . . . . . . . . . . . . A . 29 GLY HA3 . . . . . . . . . c30642_6pv1 1 . 1 . 472 . 1 1 29 GLY N N 11.114 1.584 -0.642 . . . 1.0 . . . . . . . . . . . . A . 29 GLY N . . . . . . . . . c30642_6pv1 1 . 1 . 473 . 1 1 29 GLY O O 13.427 4.093 0.365 . . . 1.0 . . . . . . . . . . . . A . 29 GLY O . . . . . . . . . c30642_6pv1 1 . 1 . 474 . 1 1 30 GLU C C 11.051 6.205 1.477 . . . 1.0 . . . . . . . . . . . . A . 30 GLU C . . . . . . . . . c30642_6pv1 1 . 1 . 475 . 1 1 30 GLU CA C 11.200 5.672 0.057 . . . 1.0 . . . . . . . . . . . . A . 30 GLU CA . . . . . . . . . c30642_6pv1 1 . 1 . 476 . 1 1 30 GLU CB C 10.065 6.215 -0.809 . . . 1.0 . . . . . . . . . . . . A . 30 GLU CB . . . . . . . . . c30642_6pv1 1 . 1 . 477 . 1 1 30 GLU CD C 9.164 6.639 -3.111 . . . 1.0 . . . . . . . . . . . . A . 30 GLU CD . . . . . . . . . c30642_6pv1 1 . 1 . 478 . 1 1 30 GLU CG C 10.181 5.885 -2.287 . . . 1.0 . . . . . . . . . . . . A . 30 GLU CG . . . . . . . . . c30642_6pv1 1 . 1 . 479 . 1 1 30 GLU H H 10.367 3.729 -0.048 . . . 1.0 . . . . . . . . . . . . A . 30 GLU H . . . . . . . . . c30642_6pv1 1 . 1 . 480 . 1 1 30 GLU HA H 12.142 6.013 -0.345 . . . 1.0 . . . . . . . . . . . . A . 30 GLU HA . . . . . . . . . c30642_6pv1 1 . 1 . 481 . 1 1 30 GLU HB2 H 9.134 5.811 -0.449 . . . 1.0 . . . . . . . . . . . . A . 30 GLU HB2 . . . . . . . . . c30642_6pv1 1 . 1 . 482 . 1 1 30 GLU HB3 H 10.039 7.289 -0.708 . . . 1.0 . . . . . . . . . . . . A . 30 GLU HB3 . . . . . . . . . c30642_6pv1 1 . 1 . 483 . 1 1 30 GLU HG2 H 11.171 6.150 -2.628 . . . 1.0 . . . . . . . . . . . . A . 30 GLU HG2 . . . . . . . . . c30642_6pv1 1 . 1 . 484 . 1 1 30 GLU HG3 H 10.023 4.825 -2.424 . . . 1.0 . . . . . . . . . . . . A . 30 GLU HG3 . . . . . . . . . c30642_6pv1 1 . 1 . 485 . 1 1 30 GLU N N 11.213 4.219 0.049 . . . 1.0 . . . . . . . . . . . . A . 30 GLU N . . . . . . . . . c30642_6pv1 1 . 1 . 486 . 1 1 30 GLU O O 9.988 6.694 1.860 . . . 1.0 . . . . . . . . . . . . A . 30 GLU O . . . . . . . . . c30642_6pv1 1 . 1 . 487 . 1 1 30 GLU OE1 O 9.490 7.744 -3.598 . . . 1.0 . . . . . . . . . . . . A . 30 GLU OE1 . . . . . . . . . c30642_6pv1 1 . 1 . 488 . 1 1 30 GLU OE2 O 8.022 6.158 -3.253 . . . 1.0 . . . . . . . . . . . . A . 30 GLU OE2 . . . . . . . . . c30642_6pv1 1 . 1 . 489 . 1 1 31 LYS C C 13.282 7.608 3.784 . . . 1.0 . . . . . . . . . . . . A . 31 LYS C . . . . . . . . . c30642_6pv1 1 . 1 . 490 . 1 1 31 LYS CA C 12.103 6.655 3.605 . . . 1.0 . . . . . . . . . . . . A . 31 LYS CA . . . . . . . . . c30642_6pv1 1 . 1 . 491 . 1 1 31 LYS CB C 12.106 5.548 4.674 . . . 1.0 . . . . . . . . . . . . A . 31 LYS CB . . . . . . . . . c30642_6pv1 1 . 1 . 492 . 1 1 31 LYS CD C 13.283 3.647 5.800 . . . 1.0 . . . . . . . . . . . . A . 31 LYS CD . . . . . . . . . c30642_6pv1 1 . 1 . 493 . 1 1 31 LYS CE C 14.532 2.784 5.847 . . . 1.0 . . . . . . . . . . . . A . 31 LYS CE . . . . . . . . . c30642_6pv1 1 . 1 . 494 . 1 1 31 LYS CG C 13.280 4.582 4.600 . . . 1.0 . . . . . . . . . . . . A . 31 LYS CG . . . . . . . . . c30642_6pv1 1 . 1 . 495 . 1 1 31 LYS H H 12.907 5.625 1.941 . . . 1.0 . . . . . . . . . . . . A . 31 LYS H . . . . . . . . . c30642_6pv1 1 . 1 . 496 . 1 1 31 LYS HA H 11.193 7.226 3.706 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HA . . . . . . . . . c30642_6pv1 1 . 1 . 497 . 1 1 31 LYS HB2 H 12.118 6.012 5.648 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HB2 . . . . . . . . . c30642_6pv1 1 . 1 . 498 . 1 1 31 LYS HB3 H 11.195 4.976 4.577 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HB3 . . . . . . . . . c30642_6pv1 1 . 1 . 499 . 1 1 31 LYS HD2 H 13.234 4.235 6.702 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HD2 . . . . . . . . . c30642_6pv1 1 . 1 . 500 . 1 1 31 LYS HD3 H 12.416 3.005 5.740 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HD3 . . . . . . . . . c30642_6pv1 1 . 1 . 501 . 1 1 31 LYS HE2 H 15.397 3.424 5.776 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HE2 . . . . . . . . . c30642_6pv1 1 . 1 . 502 . 1 1 31 LYS HE3 H 14.554 2.259 6.790 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HE3 . . . . . . . . . c30642_6pv1 1 . 1 . 503 . 1 1 31 LYS HG2 H 13.200 3.999 3.695 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HG2 . . . . . . . . . c30642_6pv1 1 . 1 . 504 . 1 1 31 LYS HG3 H 14.200 5.148 4.590 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HG3 . . . . . . . . . c30642_6pv1 1 . 1 . 505 . 1 1 31 LYS HZ1 H 15.473 1.267 4.773 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HZ1 . . . . . . . . . c30642_6pv1 1 . 1 . 506 . 1 1 31 LYS HZ2 H 14.500 2.271 3.826 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HZ2 . . . . . . . . . c30642_6pv1 1 . 1 . 507 . 1 1 31 LYS HZ3 H 13.790 1.117 4.836 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HZ3 . . . . . . . . . c30642_6pv1 1 . 1 . 508 . 1 1 31 LYS N N 12.108 6.093 2.266 . . . 1.0 . . . . . . . . . . . . A . 31 LYS N . . . . . . . . . c30642_6pv1 1 . 1 . 509 . 1 1 31 LYS NZ N 14.577 1.793 4.744 . . . 1.0 . . . . . . . . . . . . A . 31 LYS NZ . . . . . . . . . c30642_6pv1 1 . 1 . 510 . 1 1 31 LYS O O 14.178 7.390 4.596 . . . 1.0 . . . . . . . . . . . . A . 31 LYS O . . . . . . . . . c30642_6pv1 1 . 1 . 511 . 1 1 32 NH2 HN1 H 12.516 8.797 2.396 . . . 1.0 . . . . . . . . . . . . A . 32 NH2 HN1 . . . . . . . . . c30642_6pv1 1 . 1 . 512 . 1 1 32 NH2 HN2 H 13.995 9.335 3.117 . . . 1.0 . . . . . . . . . . . . A . 32 NH2 HN2 . . . . . . . . . c30642_6pv1 1 . 1 . 513 . 1 1 32 NH2 N N 13.263 8.687 3.024 . . . 1.0 . . . . . . . . . . . . A . 32 NH2 N . . . . . . . . . c30642_6pv1 1 . 1 . 514 . 2 2 1 ZN ZN Zn 2.268 -3.735 1.319 . . . 1.0 . . . . . . . . . . . . A . 101 ZN ZN . . . . . . . . . c30642_6pv1 1 . 2 . 515 . 1 1 1 ARG C C -12.307 -0.130 -3.844 . . . 1.0 . . . . . . . . . . . . A . 1 ARG C . . . . . . . . . c30642_6pv1 1 . 2 . 516 . 1 1 1 ARG CA C -13.112 -0.111 -5.136 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CA . . . . . . . . . c30642_6pv1 1 . 2 . 517 . 1 1 1 ARG CB C -12.136 -0.115 -6.317 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CB . . . . . . . . . c30642_6pv1 1 . 2 . 518 . 1 1 1 ARG CD C -11.740 -0.261 -8.779 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CD . . . . . . . . . c30642_6pv1 1 . 2 . 519 . 1 1 1 ARG CG C -12.787 -0.284 -7.678 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CG . . . . . . . . . c30642_6pv1 1 . 2 . 520 . 1 1 1 ARG CZ C -11.758 0.122 -11.213 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CZ . . . . . . . . . c30642_6pv1 1 . 2 . 521 . 1 1 1 ARG H1 H -13.411 1.949 -5.178 . . . 1.0 . . . . . . . . . . . . A . 1 ARG H1 . . . . . . . . . c30642_6pv1 1 . 2 . 522 . 1 1 1 ARG H2 H -14.616 1.097 -4.359 . . . 1.0 . . . . . . . . . . . . A . 1 ARG H2 . . . . . . . . . c30642_6pv1 1 . 2 . 523 . 1 1 1 ARG H3 H -14.568 1.072 -6.047 . . . 1.0 . . . . . . . . . . . . A . 1 ARG H3 . . . . . . . . . c30642_6pv1 1 . 2 . 524 . 1 1 1 ARG HA H -13.735 -0.991 -5.183 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HA . . . . . . . . . c30642_6pv1 1 . 2 . 525 . 1 1 1 ARG HB2 H -11.594 0.819 -6.317 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HB2 . . . . . . . . . c30642_6pv1 1 . 2 . 526 . 1 1 1 ARG HB3 H -11.433 -0.923 -6.178 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HB3 . . . . . . . . . c30642_6pv1 1 . 2 . 527 . 1 1 1 ARG HD2 H -11.196 0.668 -8.716 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HD2 . . . . . . . . . c30642_6pv1 1 . 2 . 528 . 1 1 1 ARG HD3 H -11.059 -1.085 -8.625 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HD3 . . . . . . . . . c30642_6pv1 1 . 2 . 529 . 1 1 1 ARG HE H -13.181 -0.851 -10.192 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HE . . . . . . . . . c30642_6pv1 1 . 2 . 530 . 1 1 1 ARG HG2 H -13.305 -1.230 -7.708 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HG2 . . . . . . . . . c30642_6pv1 1 . 2 . 531 . 1 1 1 ARG HG3 H -13.488 0.522 -7.840 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HG3 . . . . . . . . . c30642_6pv1 1 . 2 . 532 . 1 1 1 ARG HH11 H -10.179 1.153 -11.956 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH11 . . . . . . . . . c30642_6pv1 1 . 2 . 533 . 1 1 1 ARG HH12 H -10.164 0.911 -10.240 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH12 . . . . . . . . . c30642_6pv1 1 . 2 . 534 . 1 1 1 ARG HH21 H -11.916 0.345 -13.220 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH21 . . . . . . . . . c30642_6pv1 1 . 2 . 535 . 1 1 1 ARG HH22 H -13.217 -0.517 -12.465 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH22 . . . . . . . . . c30642_6pv1 1 . 2 . 536 . 1 1 1 ARG N N -13.987 1.083 -5.185 . . . 1.0 . . . . . . . . . . . . A . 1 ARG N . . . . . . . . . c30642_6pv1 1 . 2 . 537 . 1 1 1 ARG NE N -12.324 -0.375 -10.114 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NE . . . . . . . . . c30642_6pv1 1 . 2 . 538 . 1 1 1 ARG NH1 N -10.608 0.778 -11.130 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NH1 . . . . . . . . . c30642_6pv1 1 . 2 . 539 . 1 1 1 ARG NH2 N -12.343 -0.029 -12.393 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NH2 . . . . . . . . . c30642_6pv1 1 . 2 . 540 . 1 1 1 ARG O O -11.722 0.885 -3.463 . . . 1.0 . . . . . . . . . . . . A . 1 ARG O . . . . . . . . . c30642_6pv1 1 . 2 . 541 . 1 1 2 PRO C C -9.940 -1.537 -2.396 . . . 1.0 . . . . . . . . . . . . A . 2 PRO C . . . . . . . . . c30642_6pv1 1 . 2 . 542 . 1 1 2 PRO CA C -11.403 -1.438 -1.977 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CA . . . . . . . . . c30642_6pv1 1 . 2 . 543 . 1 1 2 PRO CB C -11.880 -2.750 -1.354 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CB . . . . . . . . . c30642_6pv1 1 . 2 . 544 . 1 1 2 PRO CD C -13.060 -2.489 -3.419 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CD . . . . . . . . . c30642_6pv1 1 . 2 . 545 . 1 1 2 PRO CG C -12.471 -3.514 -2.485 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CG . . . . . . . . . c30642_6pv1 1 . 2 . 546 . 1 1 2 PRO HA H -11.527 -0.626 -1.274 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HA . . . . . . . . . c30642_6pv1 1 . 2 . 547 . 1 1 2 PRO HB2 H -11.038 -3.270 -0.921 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HB2 . . . . . . . . . c30642_6pv1 1 . 2 . 548 . 1 1 2 PRO HB3 H -12.614 -2.545 -0.590 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HB3 . . . . . . . . . c30642_6pv1 1 . 2 . 549 . 1 1 2 PRO HD2 H -12.942 -2.802 -4.444 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HD2 . . . . . . . . . c30642_6pv1 1 . 2 . 550 . 1 1 2 PRO HD3 H -14.102 -2.326 -3.191 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HD3 . . . . . . . . . c30642_6pv1 1 . 2 . 551 . 1 1 2 PRO HG2 H -11.701 -4.082 -2.987 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HG2 . . . . . . . . . c30642_6pv1 1 . 2 . 552 . 1 1 2 PRO HG3 H -13.244 -4.175 -2.118 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HG3 . . . . . . . . . c30642_6pv1 1 . 2 . 553 . 1 1 2 PRO N N -12.266 -1.275 -3.143 . . . 1.0 . . . . . . . . . . . . A . 2 PRO N . . . . . . . . . c30642_6pv1 1 . 2 . 554 . 1 1 2 PRO O O -9.617 -2.176 -3.400 . . . 1.0 . . . . . . . . . . . . A . 2 PRO O . . . . . . . . . c30642_6pv1 1 . 2 . 555 . 1 1 3 PHE C C -6.886 -1.937 -1.258 . . . 1.0 . . . . . . . . . . . . A . 3 PHE C . . . . . . . . . c30642_6pv1 1 . 2 . 556 . 1 1 3 PHE CA C -7.653 -0.861 -2.001 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CA . . . . . . . . . c30642_6pv1 1 . 2 . 557 . 1 1 3 PHE CB C -7.066 0.522 -1.716 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CB . . . . . . . . . c30642_6pv1 1 . 2 . 558 . 1 1 3 PHE CD1 C -7.417 1.798 -3.837 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD1 . . . . . . . . . c30642_6pv1 1 . 2 . 559 . 1 1 3 PHE CD2 C -8.701 2.410 -1.926 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD2 . . . . . . . . . c30642_6pv1 1 . 2 . 560 . 1 1 3 PHE CE1 C -8.044 2.778 -4.579 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE1 . . . . . . . . . c30642_6pv1 1 . 2 . 561 . 1 1 3 PHE CE2 C -9.331 3.396 -2.660 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE2 . . . . . . . . . c30642_6pv1 1 . 2 . 562 . 1 1 3 PHE CG C -7.738 1.603 -2.506 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CG . . . . . . . . . c30642_6pv1 1 . 2 . 563 . 1 1 3 PHE CZ C -9.003 3.580 -3.989 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CZ . . . . . . . . . c30642_6pv1 1 . 2 . 564 . 1 1 3 PHE H H -9.357 -0.464 -0.814 . . . 1.0 . . . . . . . . . . . . A . 3 PHE H . . . . . . . . . c30642_6pv1 1 . 2 . 565 . 1 1 3 PHE HA H -7.580 -1.056 -3.059 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HA . . . . . . . . . c30642_6pv1 1 . 2 . 566 . 1 1 3 PHE HB2 H -7.181 0.751 -0.666 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB2 . . . . . . . . . c30642_6pv1 1 . 2 . 567 . 1 1 3 PHE HB3 H -6.019 0.523 -1.970 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB3 . . . . . . . . . c30642_6pv1 1 . 2 . 568 . 1 1 3 PHE HD1 H -6.667 1.172 -4.297 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD1 . . . . . . . . . c30642_6pv1 1 . 2 . 569 . 1 1 3 PHE HD2 H -8.957 2.267 -0.885 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD2 . . . . . . . . . c30642_6pv1 1 . 2 . 570 . 1 1 3 PHE HE1 H -7.784 2.920 -5.617 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE1 . . . . . . . . . c30642_6pv1 1 . 2 . 571 . 1 1 3 PHE HE2 H -10.079 4.019 -2.195 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE2 . . . . . . . . . c30642_6pv1 1 . 2 . 572 . 1 1 3 PHE HZ H -9.496 4.347 -4.567 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HZ . . . . . . . . . c30642_6pv1 1 . 2 . 573 . 1 1 3 PHE N N -9.059 -0.900 -1.642 . . . 1.0 . . . . . . . . . . . . A . 3 PHE N . . . . . . . . . c30642_6pv1 1 . 2 . 574 . 1 1 3 PHE O O -6.991 -2.060 -0.041 . . . 1.0 . . . . . . . . . . . . A . 3 PHE O . . . . . . . . . c30642_6pv1 1 . 2 . 575 . 1 1 4 NLE C C -3.990 -3.897 -2.000 . . . 1.0 . . . . . . . . . . . . A . 4 NLE C . . . . . . . . . c30642_6pv1 1 . 2 . 576 . 1 1 4 NLE CA C -5.384 -3.821 -1.407 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CA . . . . . . . . . c30642_6pv1 1 . 2 . 577 . 1 1 4 NLE CB C -6.114 -5.146 -1.634 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CB . . . . . . . . . c30642_6pv1 1 . 2 . 578 . 1 1 4 NLE CD C -6.069 -7.651 -1.436 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CD . . . . . . . . . c30642_6pv1 1 . 2 . 579 . 1 1 4 NLE CE C -5.265 -8.828 -0.931 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CE . . . . . . . . . c30642_6pv1 1 . 2 . 580 . 1 1 4 NLE CG C -5.374 -6.351 -1.073 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CG . . . . . . . . . c30642_6pv1 1 . 2 . 581 . 1 1 4 NLE H H -6.054 -2.558 -2.961 . . . 1.0 . . . . . . . . . . . . A . 4 NLE H . . . . . . . . . c30642_6pv1 1 . 2 . 582 . 1 1 4 NLE HA H -5.305 -3.637 -0.346 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HA . . . . . . . . . c30642_6pv1 1 . 2 . 583 . 1 1 4 NLE HB2 H -6.245 -5.292 -2.694 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HB2 . . . . . . . . . c30642_6pv1 1 . 2 . 584 . 1 1 4 NLE HB3 H -7.085 -5.094 -1.164 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HB3 . . . . . . . . . c30642_6pv1 1 . 2 . 585 . 1 1 4 NLE HD2 H -6.159 -7.725 -2.510 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HD2 . . . . . . . . . c30642_6pv1 1 . 2 . 586 . 1 1 4 NLE HD3 H -7.047 -7.676 -0.979 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HD3 . . . . . . . . . c30642_6pv1 1 . 2 . 587 . 1 1 4 NLE HE1 H -5.175 -8.768 0.143 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HE1 . . . . . . . . . c30642_6pv1 1 . 2 . 588 . 1 1 4 NLE HE2 H -4.281 -8.806 -1.374 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HE2 . . . . . . . . . c30642_6pv1 1 . 2 . 589 . 1 1 4 NLE HE3 H -5.759 -9.748 -1.201 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HE3 . . . . . . . . . c30642_6pv1 1 . 2 . 590 . 1 1 4 NLE HG2 H -5.328 -6.267 0.003 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HG2 . . . . . . . . . c30642_6pv1 1 . 2 . 591 . 1 1 4 NLE HG3 H -4.373 -6.366 -1.478 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HG3 . . . . . . . . . c30642_6pv1 1 . 2 . 592 . 1 1 4 NLE N N -6.127 -2.724 -1.995 . . . 1.0 . . . . . . . . . . . . A . 4 NLE N . . . . . . . . . c30642_6pv1 1 . 2 . 593 . 1 1 4 NLE O O -3.820 -3.957 -3.219 . . . 1.0 . . . . . . . . . . . . A . 4 NLE O . . . . . . . . . c30642_6pv1 1 . 2 . 594 . 1 1 5 CYS C C -1.391 -5.458 -2.029 . . . 1.0 . . . . . . . . . . . . A . 5 CYS C . . . . . . . . . c30642_6pv1 1 . 2 . 595 . 1 1 5 CYS CA C -1.620 -4.036 -1.540 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CA . . . . . . . . . c30642_6pv1 1 . 2 . 596 . 1 1 5 CYS CB C -0.686 -3.720 -0.379 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CB . . . . . . . . . c30642_6pv1 1 . 2 . 597 . 1 1 5 CYS H H -3.204 -3.747 -0.178 . . . 1.0 . . . . . . . . . . . . A . 5 CYS H . . . . . . . . . c30642_6pv1 1 . 2 . 598 . 1 1 5 CYS HA H -1.427 -3.350 -2.348 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HA . . . . . . . . . c30642_6pv1 1 . 2 . 599 . 1 1 5 CYS HB2 H -0.819 -2.689 -0.083 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB2 . . . . . . . . . c30642_6pv1 1 . 2 . 600 . 1 1 5 CYS HB3 H -0.928 -4.361 0.450 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB3 . . . . . . . . . c30642_6pv1 1 . 2 . 601 . 1 1 5 CYS N N -2.999 -3.874 -1.132 . . . 1.0 . . . . . . . . . . . . A . 5 CYS N . . . . . . . . . c30642_6pv1 1 . 2 . 602 . 1 1 5 CYS O O -1.331 -6.399 -1.232 . . . 1.0 . . . . . . . . . . . . A . 5 CYS O . . . . . . . . . c30642_6pv1 1 . 2 . 603 . 1 1 5 CYS SG S 1.055 -3.955 -0.769 . . . 1.0 . . . . . . . . . . . . A . 5 CYS SG . . . . . . . . . c30642_6pv1 1 . 2 . 604 . 1 1 6 THR C C 0.293 -7.420 -3.958 . . . 1.0 . . . . . . . . . . . . A . 6 THR C . . . . . . . . . c30642_6pv1 1 . 2 . 605 . 1 1 6 THR CA C -1.156 -6.919 -3.953 . . . 1.0 . . . . . . . . . . . . A . 6 THR CA . . . . . . . . . c30642_6pv1 1 . 2 . 606 . 1 1 6 THR CB C -1.716 -6.870 -5.390 . . . 1.0 . . . . . . . . . . . . A . 6 THR CB . . . . . . . . . c30642_6pv1 1 . 2 . 607 . 1 1 6 THR CG2 C -2.118 -8.254 -5.878 . . . 1.0 . . . . . . . . . . . . A . 6 THR CG2 . . . . . . . . . c30642_6pv1 1 . 2 . 608 . 1 1 6 THR H H -1.197 -4.808 -3.909 . . . 1.0 . . . . . . . . . . . . A . 6 THR H . . . . . . . . . c30642_6pv1 1 . 2 . 609 . 1 1 6 THR HA H -1.759 -7.602 -3.375 . . . 1.0 . . . . . . . . . . . . A . 6 THR HA . . . . . . . . . c30642_6pv1 1 . 2 . 610 . 1 1 6 THR HB H -0.957 -6.473 -6.048 . . . 1.0 . . . . . . . . . . . . A . 6 THR HB . . . . . . . . . c30642_6pv1 1 . 2 . 611 . 1 1 6 THR HG1 H -3.002 -5.627 -4.543 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG1 . . . . . . . . . c30642_6pv1 1 . 2 . 612 . 1 1 6 THR HG21 H -2.463 -8.190 -6.900 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG21 . . . . . . . . . c30642_6pv1 1 . 2 . 613 . 1 1 6 THR HG22 H -2.913 -8.639 -5.256 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG22 . . . . . . . . . c30642_6pv1 1 . 2 . 614 . 1 1 6 THR HG23 H -1.267 -8.916 -5.825 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG23 . . . . . . . . . c30642_6pv1 1 . 2 . 615 . 1 1 6 THR N N -1.249 -5.607 -3.337 . . . 1.0 . . . . . . . . . . . . A . 6 THR N . . . . . . . . . c30642_6pv1 1 . 2 . 616 . 1 1 6 THR O O 0.652 -8.334 -4.704 . . . 1.0 . . . . . . . . . . . . A . 6 THR O . . . . . . . . . c30642_6pv1 1 . 2 . 617 . 1 1 6 THR OG1 O -2.865 -6.008 -5.420 . . . 1.0 . . . . . . . . . . . . A . 6 THR OG1 . . . . . . . . . c30642_6pv1 1 . 2 . 618 . 1 1 7 TRP C C 2.542 -8.644 -2.376 . . . 1.0 . . . . . . . . . . . . A . 7 TRP C . . . . . . . . . c30642_6pv1 1 . 2 . 619 . 1 1 7 TRP CA C 2.503 -7.241 -2.962 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CA . . . . . . . . . c30642_6pv1 1 . 2 . 620 . 1 1 7 TRP CB C 3.268 -6.275 -2.058 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CB . . . . . . . . . c30642_6pv1 1 . 2 . 621 . 1 1 7 TRP CD1 C 5.483 -7.354 -1.347 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD1 . . . . . . . . . c30642_6pv1 1 . 2 . 622 . 1 1 7 TRP CD2 C 5.693 -5.744 -2.884 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD2 . . . . . . . . . c30642_6pv1 1 . 2 . 623 . 1 1 7 TRP CE2 C 6.973 -6.242 -2.582 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE2 . . . . . . . . . c30642_6pv1 1 . 2 . 624 . 1 1 7 TRP CE3 C 5.575 -4.724 -3.827 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE3 . . . . . . . . . c30642_6pv1 1 . 2 . 625 . 1 1 7 TRP CG C 4.754 -6.468 -2.085 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CG . . . . . . . . . c30642_6pv1 1 . 2 . 626 . 1 1 7 TRP CH2 C 7.979 -4.748 -4.110 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CH2 . . . . . . . . . c30642_6pv1 1 . 2 . 627 . 1 1 7 TRP CZ2 C 8.127 -5.749 -3.189 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ2 . . . . . . . . . c30642_6pv1 1 . 2 . 628 . 1 1 7 TRP CZ3 C 6.718 -4.235 -4.431 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ3 . . . . . . . . . c30642_6pv1 1 . 2 . 629 . 1 1 7 TRP H H 0.793 -6.076 -2.566 . . . 1.0 . . . . . . . . . . . . A . 7 TRP H . . . . . . . . . c30642_6pv1 1 . 2 . 630 . 1 1 7 TRP HA H 2.959 -7.253 -3.939 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HA . . . . . . . . . c30642_6pv1 1 . 2 . 631 . 1 1 7 TRP HB2 H 3.061 -5.263 -2.364 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB2 . . . . . . . . . c30642_6pv1 1 . 2 . 632 . 1 1 7 TRP HB3 H 2.935 -6.411 -1.042 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB3 . . . . . . . . . c30642_6pv1 1 . 2 . 633 . 1 1 7 TRP HD1 H 5.059 -8.050 -0.641 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HD1 . . . . . . . . . c30642_6pv1 1 . 2 . 634 . 1 1 7 TRP HE1 H 7.545 -7.751 -1.242 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE1 . . . . . . . . . c30642_6pv1 1 . 2 . 635 . 1 1 7 TRP HE3 H 4.610 -4.320 -4.087 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE3 . . . . . . . . . c30642_6pv1 1 . 2 . 636 . 1 1 7 TRP HH2 H 8.844 -4.334 -4.605 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HH2 . . . . . . . . . c30642_6pv1 1 . 2 . 637 . 1 1 7 TRP HZ2 H 9.107 -6.136 -2.951 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ2 . . . . . . . . . c30642_6pv1 1 . 2 . 638 . 1 1 7 TRP HZ3 H 6.645 -3.445 -5.160 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ3 . . . . . . . . . c30642_6pv1 1 . 2 . 639 . 1 1 7 TRP N N 1.122 -6.818 -3.109 . . . 1.0 . . . . . . . . . . . . A . 7 TRP N . . . . . . . . . c30642_6pv1 1 . 2 . 640 . 1 1 7 TRP NE1 N 6.818 -7.224 -1.642 . . . 1.0 . . . . . . . . . . . . A . 7 TRP NE1 . . . . . . . . . c30642_6pv1 1 . 2 . 641 . 1 1 7 TRP O O 1.801 -8.950 -1.438 . . . 1.0 . . . . . . . . . . . . A . 7 TRP O . . . . . . . . . c30642_6pv1 1 . 2 . 642 . 1 1 8 ABA C C 3.715 -10.997 -1.019 . . . 1.0 . . . . . . . . . . . . A . 8 AIB C . . . . . . . . . c30642_6pv1 1 . 2 . 643 . 1 1 8 ABA CA C 3.523 -10.882 -2.542 . . . 1.0 . . . . . . . . . . . . A . 8 AIB CA . . . . . . . . . c30642_6pv1 1 . 2 . 644 . 1 1 8 ABA H H 3.986 -9.135 -3.648 . . . 1.0 . . . . . . . . . . . . A . 8 AIB H . . . . . . . . . c30642_6pv1 1 . 2 . 645 . 1 1 8 ABA N N 3.403 -9.477 -2.938 . . . 1.0 . . . . . . . . . . . . A . 8 AIB N . . . . . . . . . c30642_6pv1 1 . 2 . 646 . 1 1 8 ABA O O 4.730 -10.550 -0.478 . . . 1.0 . . . . . . . . . . . . A . 8 AIB O . . . . . . . . . c30642_6pv1 1 . 2 . 647 . 1 1 9 GLY C C 2.414 -10.679 1.956 . . . 1.0 . . . . . . . . . . . . A . 9 GLY C . . . . . . . . . c30642_6pv1 1 . 2 . 648 . 1 1 9 GLY CA C 2.859 -11.836 1.084 . . . 1.0 . . . . . . . . . . . . A . 9 GLY CA . . . . . . . . . c30642_6pv1 1 . 2 . 649 . 1 1 9 GLY H H 1.906 -11.821 -0.799 . . . 1.0 . . . . . . . . . . . . A . 9 GLY H . . . . . . . . . c30642_6pv1 1 . 2 . 650 . 1 1 9 GLY HA2 H 2.266 -12.702 1.330 . . . 1.0 . . . . . . . . . . . . A . 9 GLY HA2 . . . . . . . . . c30642_6pv1 1 . 2 . 651 . 1 1 9 GLY HA3 H 3.895 -12.054 1.301 . . . 1.0 . . . . . . . . . . . . A . 9 GLY HA3 . . . . . . . . . c30642_6pv1 1 . 2 . 652 . 1 1 9 GLY N N 2.731 -11.573 -0.335 . . . 1.0 . . . . . . . . . . . . A . 9 GLY N . . . . . . . . . c30642_6pv1 1 . 2 . 653 . 1 1 9 GLY O O 2.582 -10.721 3.174 . . . 1.0 . . . . . . . . . . . . A . 9 GLY O . . . . . . . . . c30642_6pv1 1 . 2 . 654 . 1 1 10 CYS C C -0.113 -8.495 2.282 . . . 1.0 . . . . . . . . . . . . A . 10 CYS C . . . . . . . . . c30642_6pv1 1 . 2 . 655 . 1 1 10 CYS CA C 1.409 -8.486 2.109 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CA . . . . . . . . . c30642_6pv1 1 . 2 . 656 . 1 1 10 CYS CB C 1.873 -7.207 1.421 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CB . . . . . . . . . c30642_6pv1 1 . 2 . 657 . 1 1 10 CYS H H 1.736 -9.652 0.375 . . . 1.0 . . . . . . . . . . . . A . 10 CYS H . . . . . . . . . c30642_6pv1 1 . 2 . 658 . 1 1 10 CYS HA H 1.866 -8.541 3.083 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HA . . . . . . . . . c30642_6pv1 1 . 2 . 659 . 1 1 10 CYS HB2 H 2.902 -7.323 1.120 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB2 . . . . . . . . . c30642_6pv1 1 . 2 . 660 . 1 1 10 CYS HB3 H 1.266 -7.043 0.546 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB3 . . . . . . . . . c30642_6pv1 1 . 2 . 661 . 1 1 10 CYS N N 1.849 -9.644 1.351 . . . 1.0 . . . . . . . . . . . . A . 10 CYS N . . . . . . . . . c30642_6pv1 1 . 2 . 662 . 1 1 10 CYS O O -0.620 -8.942 3.314 . . . 1.0 . . . . . . . . . . . . A . 10 CYS O . . . . . . . . . c30642_6pv1 1 . 2 . 663 . 1 1 10 CYS SG S 1.767 -5.729 2.452 . . . 1.0 . . . . . . . . . . . . A . 10 CYS SG . . . . . . . . . c30642_6pv1 1 . 2 . 664 . 1 1 11 GLY C C -2.814 -6.953 2.332 . . . 1.0 . . . . . . . . . . . . A . 11 GLY C . . . . . . . . . c30642_6pv1 1 . 2 . 665 . 1 1 11 GLY CA C -2.291 -7.999 1.363 . . . 1.0 . . . . . . . . . . . . A . 11 GLY CA . . . . . . . . . c30642_6pv1 1 . 2 . 666 . 1 1 11 GLY H H -0.400 -7.703 0.460 . . . 1.0 . . . . . . . . . . . . A . 11 GLY H . . . . . . . . . c30642_6pv1 1 . 2 . 667 . 1 1 11 GLY HA2 H -2.691 -7.792 0.383 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA2 . . . . . . . . . c30642_6pv1 1 . 2 . 668 . 1 1 11 GLY HA3 H -2.634 -8.971 1.681 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA3 . . . . . . . . . c30642_6pv1 1 . 2 . 669 . 1 1 11 GLY N N -0.842 -8.023 1.276 . . . 1.0 . . . . . . . . . . . . A . 11 GLY N . . . . . . . . . c30642_6pv1 1 . 2 . 670 . 1 1 11 GLY O O -3.879 -7.125 2.926 . . . 1.0 . . . . . . . . . . . . A . 11 GLY O . . . . . . . . . c30642_6pv1 1 . 2 . 671 . 1 1 12 LYS C C -3.619 -4.008 2.675 . . . 1.0 . . . . . . . . . . . . A . 12 LYS C . . . . . . . . . c30642_6pv1 1 . 2 . 672 . 1 1 12 LYS CA C -2.482 -4.771 3.351 . . . 1.0 . . . . . . . . . . . . A . 12 LYS CA . . . . . . . . . c30642_6pv1 1 . 2 . 673 . 1 1 12 LYS CB C -1.303 -3.832 3.610 . . . 1.0 . . . . . . . . . . . . A . 12 LYS CB . . . . . . . . . c30642_6pv1 1 . 2 . 674 . 1 1 12 LYS CD C -0.901 -4.127 6.064 . . . 1.0 . . . . . . . . . . . . A . 12 LYS CD . . . . . . . . . c30642_6pv1 1 . 2 . 675 . 1 1 12 LYS CE C -0.943 -3.477 7.435 . . . 1.0 . . . . . . . . . . . . A . 12 LYS CE . . . . . . . . . c30642_6pv1 1 . 2 . 676 . 1 1 12 LYS CG C -1.335 -3.164 4.972 . . . 1.0 . . . . . . . . . . . . A . 12 LYS CG . . . . . . . . . c30642_6pv1 1 . 2 . 677 . 1 1 12 LYS H H -1.201 -5.821 2.040 . . . 1.0 . . . . . . . . . . . . A . 12 LYS H . . . . . . . . . c30642_6pv1 1 . 2 . 678 . 1 1 12 LYS HA H -2.833 -5.178 4.286 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HA . . . . . . . . . c30642_6pv1 1 . 2 . 679 . 1 1 12 LYS HB2 H -0.384 -4.394 3.533 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HB2 . . . . . . . . . c30642_6pv1 1 . 2 . 680 . 1 1 12 LYS HB3 H -1.305 -3.060 2.857 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HB3 . . . . . . . . . c30642_6pv1 1 . 2 . 681 . 1 1 12 LYS HD2 H -1.561 -4.980 6.061 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HD2 . . . . . . . . . c30642_6pv1 1 . 2 . 682 . 1 1 12 LYS HD3 H 0.109 -4.452 5.860 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HD3 . . . . . . . . . c30642_6pv1 1 . 2 . 683 . 1 1 12 LYS HE2 H -0.479 -4.140 8.147 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HE2 . . . . . . . . . c30642_6pv1 1 . 2 . 684 . 1 1 12 LYS HE3 H -0.392 -2.550 7.396 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HE3 . . . . . . . . . c30642_6pv1 1 . 2 . 685 . 1 1 12 LYS HG2 H -0.666 -2.318 4.965 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HG2 . . . . . . . . . c30642_6pv1 1 . 2 . 686 . 1 1 12 LYS HG3 H -2.341 -2.830 5.174 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HG3 . . . . . . . . . c30642_6pv1 1 . 2 . 687 . 1 1 12 LYS HZ1 H -2.332 -2.767 8.819 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HZ1 . . . . . . . . . c30642_6pv1 1 . 2 . 688 . 1 1 12 LYS HZ2 H -2.885 -4.076 7.904 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HZ2 . . . . . . . . . c30642_6pv1 1 . 2 . 689 . 1 1 12 LYS HZ3 H -2.790 -2.538 7.211 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HZ3 . . . . . . . . . c30642_6pv1 1 . 2 . 690 . 1 1 12 LYS N N -2.062 -5.874 2.497 . . . 1.0 . . . . . . . . . . . . A . 12 LYS N . . . . . . . . . c30642_6pv1 1 . 2 . 691 . 1 1 12 LYS NZ N -2.333 -3.195 7.872 . . . 1.0 . . . . . . . . . . . . A . 12 LYS NZ . . . . . . . . . c30642_6pv1 1 . 2 . 692 . 1 1 12 LYS O O -3.481 -3.570 1.537 . . . 1.0 . . . . . . . . . . . . A . 12 LYS O . . . . . . . . . c30642_6pv1 1 . 2 . 693 . 1 1 13 ARG C C -6.166 -1.844 3.302 . . . 1.0 . . . . . . . . . . . . A . 13 ARG C . . . . . . . . . c30642_6pv1 1 . 2 . 694 . 1 1 13 ARG CA C -5.923 -3.256 2.772 . . . 1.0 . . . . . . . . . . . . A . 13 ARG CA . . . . . . . . . c30642_6pv1 1 . 2 . 695 . 1 1 13 ARG CB C -7.137 -4.145 3.036 . . . 1.0 . . . . . . . . . . . . A . 13 ARG CB . . . . . . . . . c30642_6pv1 1 . 2 . 696 . 1 1 13 ARG CD C -9.492 -4.727 2.406 . . . 1.0 . . . . . . . . . . . . A . 13 ARG CD . . . . . . . . . c30642_6pv1 1 . 2 . 697 . 1 1 13 ARG CG C -8.396 -3.684 2.326 . . . 1.0 . . . . . . . . . . . . A . 13 ARG CG . . . . . . . . . c30642_6pv1 1 . 2 . 698 . 1 1 13 ARG CZ C -9.746 -6.637 0.858 . . . 1.0 . . . . . . . . . . . . A . 13 ARG CZ . . . . . . . . . c30642_6pv1 1 . 2 . 699 . 1 1 13 ARG H H -4.762 -4.141 4.305 . . . 1.0 . . . . . . . . . . . . A . 13 ARG H . . . . . . . . . c30642_6pv1 1 . 2 . 700 . 1 1 13 ARG HA H -5.758 -3.197 1.706 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HA . . . . . . . . . c30642_6pv1 1 . 2 . 701 . 1 1 13 ARG HB2 H -6.911 -5.148 2.709 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HB2 . . . . . . . . . c30642_6pv1 1 . 2 . 702 . 1 1 13 ARG HB3 H -7.334 -4.159 4.098 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HB3 . . . . . . . . . c30642_6pv1 1 . 2 . 703 . 1 1 13 ARG HD2 H -9.743 -4.890 3.444 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HD2 . . . . . . . . . c30642_6pv1 1 . 2 . 704 . 1 1 13 ARG HD3 H -10.360 -4.359 1.880 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HD3 . . . . . . . . . c30642_6pv1 1 . 2 . 705 . 1 1 13 ARG HE H -8.229 -6.392 2.139 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HE . . . . . . . . . c30642_6pv1 1 . 2 . 706 . 1 1 13 ARG HG2 H -8.743 -2.772 2.788 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HG2 . . . . . . . . . c30642_6pv1 1 . 2 . 707 . 1 1 13 ARG HG3 H -8.162 -3.496 1.288 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HG3 . . . . . . . . . c30642_6pv1 1 . 2 . 708 . 1 1 13 ARG HH11 H -11.401 -6.634 -0.316 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HH11 . . . . . . . . . c30642_6pv1 1 . 2 . 709 . 1 1 13 ARG HH12 H -11.270 -5.302 0.785 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HH12 . . . . . . . . . c30642_6pv1 1 . 2 . 710 . 1 1 13 ARG HH21 H -8.409 -8.158 0.718 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HH21 . . . . . . . . . c30642_6pv1 1 . 2 . 711 . 1 1 13 ARG HH22 H -9.773 -8.265 -0.352 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HH22 . . . . . . . . . c30642_6pv1 1 . 2 . 712 . 1 1 13 ARG N N -4.735 -3.853 3.369 . . . 1.0 . . . . . . . . . . . . A . 13 ARG N . . . . . . . . . c30642_6pv1 1 . 2 . 713 . 1 1 13 ARG NE N -9.072 -5.997 1.810 . . . 1.0 . . . . . . . . . . . . A . 13 ARG NE . . . . . . . . . c30642_6pv1 1 . 2 . 714 . 1 1 13 ARG NH1 N -10.894 -6.150 0.403 . . . 1.0 . . . . . . . . . . . . A . 13 ARG NH1 . . . . . . . . . c30642_6pv1 1 . 2 . 715 . 1 1 13 ARG NH2 N -9.273 -7.778 0.369 . . . 1.0 . . . . . . . . . . . . A . 13 ARG NH2 . . . . . . . . . c30642_6pv1 1 . 2 . 716 . 1 1 13 ARG O O -5.979 -1.574 4.489 . . . 1.0 . . . . . . . . . . . . A . 13 ARG O . . . . . . . . . c30642_6pv1 1 . 2 . 717 . 1 1 14 PHE C C -8.113 0.943 2.121 . . . 1.0 . . . . . . . . . . . . A . 14 PHE C . . . . . . . . . c30642_6pv1 1 . 2 . 718 . 1 1 14 PHE CA C -6.810 0.447 2.744 . . . 1.0 . . . . . . . . . . . . A . 14 PHE CA . . . . . . . . . c30642_6pv1 1 . 2 . 719 . 1 1 14 PHE CB C -5.647 1.303 2.235 . . . 1.0 . . . . . . . . . . . . A . 14 PHE CB . . . . . . . . . c30642_6pv1 1 . 2 . 720 . 1 1 14 PHE CD1 C -3.802 1.269 3.922 . . . 1.0 . . . . . . . . . . . . A . 14 PHE CD1 . . . . . . . . . c30642_6pv1 1 . 2 . 721 . 1 1 14 PHE CD2 C -3.557 -0.038 1.947 . . . 1.0 . . . . . . . . . . . . A . 14 PHE CD2 . . . . . . . . . c30642_6pv1 1 . 2 . 722 . 1 1 14 PHE CE1 C -2.567 0.846 4.360 . . . 1.0 . . . . . . . . . . . . A . 14 PHE CE1 . . . . . . . . . c30642_6pv1 1 . 2 . 723 . 1 1 14 PHE CE2 C -2.321 -0.466 2.379 . . . 1.0 . . . . . . . . . . . . A . 14 PHE CE2 . . . . . . . . . c30642_6pv1 1 . 2 . 724 . 1 1 14 PHE CG C -4.310 0.831 2.713 . . . 1.0 . . . . . . . . . . . . A . 14 PHE CG . . . . . . . . . c30642_6pv1 1 . 2 . 725 . 1 1 14 PHE CZ C -1.847 -0.060 3.609 . . . 1.0 . . . . . . . . . . . . A . 14 PHE CZ . . . . . . . . . c30642_6pv1 1 . 2 . 726 . 1 1 14 PHE H H -6.741 -1.248 1.482 . . . 1.0 . . . . . . . . . . . . A . 14 PHE H . . . . . . . . . c30642_6pv1 1 . 2 . 727 . 1 1 14 PHE HA H -6.871 0.533 3.818 . . . 1.0 . . . . . . . . . . . . A . 14 PHE HA . . . . . . . . . c30642_6pv1 1 . 2 . 728 . 1 1 14 PHE HB2 H -5.640 1.287 1.157 . . . 1.0 . . . . . . . . . . . . A . 14 PHE HB2 . . . . . . . . . c30642_6pv1 1 . 2 . 729 . 1 1 14 PHE HB3 H -5.781 2.318 2.573 . . . 1.0 . . . . . . . . . . . . A . 14 PHE HB3 . . . . . . . . . c30642_6pv1 1 . 2 . 730 . 1 1 14 PHE HD1 H -4.384 1.953 4.524 . . . 1.0 . . . . . . . . . . . . A . 14 PHE HD1 . . . . . . . . . c30642_6pv1 1 . 2 . 731 . 1 1 14 PHE HD2 H -3.946 -0.384 1.001 . . . 1.0 . . . . . . . . . . . . A . 14 PHE HD2 . . . . . . . . . c30642_6pv1 1 . 2 . 732 . 1 1 14 PHE HE1 H -2.182 1.192 5.307 . . . 1.0 . . . . . . . . . . . . A . 14 PHE HE1 . . . . . . . . . c30642_6pv1 1 . 2 . 733 . 1 1 14 PHE HE2 H -1.741 -1.146 1.773 . . . 1.0 . . . . . . . . . . . . A . 14 PHE HE2 . . . . . . . . . c30642_6pv1 1 . 2 . 734 . 1 1 14 PHE HZ H -0.886 -0.409 3.959 . . . 1.0 . . . . . . . . . . . . A . 14 PHE HZ . . . . . . . . . c30642_6pv1 1 . 2 . 735 . 1 1 14 PHE N N -6.581 -0.953 2.408 . . . 1.0 . . . . . . . . . . . . A . 14 PHE N . . . . . . . . . c30642_6pv1 1 . 2 . 736 . 1 1 14 PHE O O -8.607 0.369 1.146 . . . 1.0 . . . . . . . . . . . . A . 14 PHE O . . . . . . . . . c30642_6pv1 1 . 2 . 737 . 1 1 15 THR C C -9.572 3.751 1.223 . . . 1.0 . . . . . . . . . . . . A . 15 THR C . . . . . . . . . c30642_6pv1 1 . 2 . 738 . 1 1 15 THR CA C -9.889 2.603 2.185 . . . 1.0 . . . . . . . . . . . . A . 15 THR CA . . . . . . . . . c30642_6pv1 1 . 2 . 739 . 1 1 15 THR CB C -10.762 3.124 3.347 . . . 1.0 . . . . . . . . . . . . A . 15 THR CB . . . . . . . . . c30642_6pv1 1 . 2 . 740 . 1 1 15 THR CG2 C -12.145 3.536 2.862 . . . 1.0 . . . . . . . . . . . . A . 15 THR CG2 . . . . . . . . . c30642_6pv1 1 . 2 . 741 . 1 1 15 THR H H -8.245 2.389 3.495 . . . 1.0 . . . . . . . . . . . . A . 15 THR H . . . . . . . . . c30642_6pv1 1 . 2 . 742 . 1 1 15 THR HA H -10.442 1.842 1.655 . . . 1.0 . . . . . . . . . . . . A . 15 THR HA . . . . . . . . . c30642_6pv1 1 . 2 . 743 . 1 1 15 THR HB H -10.277 3.986 3.783 . . . 1.0 . . . . . . . . . . . . A . 15 THR HB . . . . . . . . . c30642_6pv1 1 . 2 . 744 . 1 1 15 THR HG1 H -10.020 1.811 4.621 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG1 . . . . . . . . . c30642_6pv1 1 . 2 . 745 . 1 1 15 THR HG21 H -12.643 2.682 2.425 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG21 . . . . . . . . . c30642_6pv1 1 . 2 . 746 . 1 1 15 THR HG22 H -12.050 4.315 2.121 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG22 . . . . . . . . . c30642_6pv1 1 . 2 . 747 . 1 1 15 THR HG23 H -12.726 3.901 3.697 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG23 . . . . . . . . . c30642_6pv1 1 . 2 . 748 . 1 1 15 THR N N -8.666 2.003 2.695 . . . 1.0 . . . . . . . . . . . . A . 15 THR N . . . . . . . . . c30642_6pv1 1 . 2 . 749 . 1 1 15 THR O O -10.420 4.174 0.437 . . . 1.0 . . . . . . . . . . . . A . 15 THR O . . . . . . . . . c30642_6pv1 1 . 2 . 750 . 1 1 15 THR OG1 O -10.896 2.104 4.347 . . . 1.0 . . . . . . . . . . . . A . 15 THR OG1 . . . . . . . . . c30642_6pv1 1 . 2 . 751 . 1 1 16 ARG C C -6.711 4.950 -0.411 . . . 1.0 . . . . . . . . . . . . A . 16 ARG C . . . . . . . . . c30642_6pv1 1 . 2 . 752 . 1 1 16 ARG CA C -7.929 5.345 0.415 . . . 1.0 . . . . . . . . . . . . A . 16 ARG CA . . . . . . . . . c30642_6pv1 1 . 2 . 753 . 1 1 16 ARG CB C -7.591 6.587 1.234 . . . 1.0 . . . . . . . . . . . . A . 16 ARG CB . . . . . . . . . c30642_6pv1 1 . 2 . 754 . 1 1 16 ARG CD C -8.373 8.411 2.759 . . . 1.0 . . . . . . . . . . . . A . 16 ARG CD . . . . . . . . . c30642_6pv1 1 . 2 . 755 . 1 1 16 ARG CG C -8.699 7.051 2.164 . . . 1.0 . . . . . . . . . . . . A . 16 ARG CG . . . . . . . . . c30642_6pv1 1 . 2 . 756 . 1 1 16 ARG CZ C -6.210 8.236 3.941 . . . 1.0 . . . . . . . . . . . . A . 16 ARG CZ . . . . . . . . . c30642_6pv1 1 . 2 . 757 . 1 1 16 ARG H H -7.696 3.865 1.909 . . . 1.0 . . . . . . . . . . . . A . 16 ARG H . . . . . . . . . c30642_6pv1 1 . 2 . 758 . 1 1 16 ARG HA H -8.748 5.568 -0.250 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HA . . . . . . . . . c30642_6pv1 1 . 2 . 759 . 1 1 16 ARG HB2 H -6.720 6.379 1.836 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HB2 . . . . . . . . . c30642_6pv1 1 . 2 . 760 . 1 1 16 ARG HB3 H -7.362 7.397 0.558 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HB3 . . . . . . . . . c30642_6pv1 1 . 2 . 761 . 1 1 16 ARG HD2 H -8.779 9.182 2.119 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HD2 . . . . . . . . . c30642_6pv1 1 . 2 . 762 . 1 1 16 ARG HD3 H -8.825 8.480 3.736 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HD3 . . . . . . . . . c30642_6pv1 1 . 2 . 763 . 1 1 16 ARG HE H -6.462 9.018 2.113 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HE . . . . . . . . . c30642_6pv1 1 . 2 . 764 . 1 1 16 ARG HG2 H -9.620 7.119 1.607 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HG2 . . . . . . . . . c30642_6pv1 1 . 2 . 765 . 1 1 16 ARG HG3 H -8.810 6.334 2.964 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HG3 . . . . . . . . . c30642_6pv1 1 . 2 . 766 . 1 1 16 ARG HH11 H -7.799 7.575 5.018 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HH11 . . . . . . . . . c30642_6pv1 1 . 2 . 767 . 1 1 16 ARG HH12 H -6.257 7.415 5.795 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HH12 . . . . . . . . . c30642_6pv1 1 . 2 . 768 . 1 1 16 ARG HH21 H -4.444 8.821 3.122 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HH21 . . . . . . . . . c30642_6pv1 1 . 2 . 769 . 1 1 16 ARG HH22 H -4.337 8.094 4.709 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HH22 . . . . . . . . . c30642_6pv1 1 . 2 . 770 . 1 1 16 ARG N N -8.341 4.248 1.279 . . . 1.0 . . . . . . . . . . . . A . 16 ARG N . . . . . . . . . c30642_6pv1 1 . 2 . 771 . 1 1 16 ARG NE N -6.928 8.606 2.884 . . . 1.0 . . . . . . . . . . . . A . 16 ARG NE . . . . . . . . . c30642_6pv1 1 . 2 . 772 . 1 1 16 ARG NH1 N -6.802 7.700 5.004 . . . 1.0 . . . . . . . . . . . . A . 16 ARG NH1 . . . . . . . . . c30642_6pv1 1 . 2 . 773 . 1 1 16 ARG NH2 N -4.896 8.406 3.929 . . . 1.0 . . . . . . . . . . . . A . 16 ARG NH2 . . . . . . . . . c30642_6pv1 1 . 2 . 774 . 1 1 16 ARG O O -5.833 4.218 0.056 . . . 1.0 . . . . . . . . . . . . A . 16 ARG O . . . . . . . . . c30642_6pv1 1 . 2 . 775 . 1 1 17 SER C C -4.291 5.831 -2.148 . . . 1.0 . . . . . . . . . . . . A . 17 SER C . . . . . . . . . c30642_6pv1 1 . 2 . 776 . 1 1 17 SER CA C -5.591 5.151 -2.563 . . . 1.0 . . . . . . . . . . . . A . 17 SER CA . . . . . . . . . c30642_6pv1 1 . 2 . 777 . 1 1 17 SER CB C -5.998 5.589 -3.970 . . . 1.0 . . . . . . . . . . . . A . 17 SER CB . . . . . . . . . c30642_6pv1 1 . 2 . 778 . 1 1 17 SER H H -7.374 6.075 -1.923 . . . 1.0 . . . . . . . . . . . . A . 17 SER H . . . . . . . . . c30642_6pv1 1 . 2 . 779 . 1 1 17 SER HA H -5.445 4.081 -2.556 . . . 1.0 . . . . . . . . . . . . A . 17 SER HA . . . . . . . . . c30642_6pv1 1 . 2 . 780 . 1 1 17 SER HB2 H -5.133 5.577 -4.614 . . . 1.0 . . . . . . . . . . . . A . 17 SER HB2 . . . . . . . . . c30642_6pv1 1 . 2 . 781 . 1 1 17 SER HB3 H -6.744 4.911 -4.356 . . . 1.0 . . . . . . . . . . . . A . 17 SER HB3 . . . . . . . . . c30642_6pv1 1 . 2 . 782 . 1 1 17 SER HG H -5.855 7.531 -4.219 . . . 1.0 . . . . . . . . . . . . A . 17 SER HG . . . . . . . . . c30642_6pv1 1 . 2 . 783 . 1 1 17 SER N N -6.664 5.462 -1.634 . . . 1.0 . . . . . . . . . . . . A . 17 SER N . . . . . . . . . c30642_6pv1 1 . 2 . 784 . 1 1 17 SER O O -3.206 5.295 -2.364 . . . 1.0 . . . . . . . . . . . . A . 17 SER O . . . . . . . . . c30642_6pv1 1 . 2 . 785 . 1 1 17 SER OG O -6.538 6.899 -3.949 . . . 1.0 . . . . . . . . . . . . A . 17 SER OG . . . . . . . . . c30642_6pv1 1 . 2 . 786 . 1 1 18 ASP C C -2.595 7.055 0.108 . . . 1.0 . . . . . . . . . . . . A . 18 ASP C . . . . . . . . . c30642_6pv1 1 . 2 . 787 . 1 1 18 ASP CA C -3.238 7.753 -1.083 . . . 1.0 . . . . . . . . . . . . A . 18 ASP CA . . . . . . . . . c30642_6pv1 1 . 2 . 788 . 1 1 18 ASP CB C -3.609 9.193 -0.708 . . . 1.0 . . . . . . . . . . . . A . 18 ASP CB . . . . . . . . . c30642_6pv1 1 . 2 . 789 . 1 1 18 ASP CG C -4.483 9.287 0.532 . . . 1.0 . . . . . . . . . . . . A . 18 ASP CG . . . . . . . . . c30642_6pv1 1 . 2 . 790 . 1 1 18 ASP H H -5.304 7.388 -1.401 . . . 1.0 . . . . . . . . . . . . A . 18 ASP H . . . . . . . . . c30642_6pv1 1 . 2 . 791 . 1 1 18 ASP HA H -2.526 7.773 -1.895 . . . 1.0 . . . . . . . . . . . . A . 18 ASP HA . . . . . . . . . c30642_6pv1 1 . 2 . 792 . 1 1 18 ASP HB2 H -2.705 9.749 -0.522 . . . 1.0 . . . . . . . . . . . . A . 18 ASP HB2 . . . . . . . . . c30642_6pv1 1 . 2 . 793 . 1 1 18 ASP HB3 H -4.138 9.647 -1.533 . . . 1.0 . . . . . . . . . . . . A . 18 ASP HB3 . . . . . . . . . c30642_6pv1 1 . 2 . 794 . 1 1 18 ASP N N -4.409 7.007 -1.538 . . . 1.0 . . . . . . . . . . . . A . 18 ASP N . . . . . . . . . c30642_6pv1 1 . 2 . 795 . 1 1 18 ASP O O -1.384 7.145 0.317 . . . 1.0 . . . . . . . . . . . . A . 18 ASP O . . . . . . . . . c30642_6pv1 1 . 2 . 796 . 1 1 18 ASP OD1 O -5.722 9.183 0.402 . . . 1.0 . . . . . . . . . . . . A . 18 ASP OD1 . . . . . . . . . c30642_6pv1 1 . 2 . 797 . 1 1 18 ASP OD2 O -3.943 9.456 1.641 . . . 1.0 . . . . . . . . . . . . A . 18 ASP OD2 . . . . . . . . . c30642_6pv1 1 . 2 . 798 . 1 1 19 GLU C C -2.174 4.365 1.528 . . . 1.0 . . . . . . . . . . . . A . 19 GLU C . . . . . . . . . c30642_6pv1 1 . 2 . 799 . 1 1 19 GLU CA C -2.931 5.594 2.021 . . . 1.0 . . . . . . . . . . . . A . 19 GLU CA . . . . . . . . . c30642_6pv1 1 . 2 . 800 . 1 1 19 GLU CB C -4.100 5.181 2.918 . . . 1.0 . . . . . . . . . . . . A . 19 GLU CB . . . . . . . . . c30642_6pv1 1 . 2 . 801 . 1 1 19 GLU CD C -2.978 5.842 5.080 . . . 1.0 . . . . . . . . . . . . A . 19 GLU CD . . . . . . . . . c30642_6pv1 1 . 2 . 802 . 1 1 19 GLU CG C -3.678 4.742 4.307 . . . 1.0 . . . . . . . . . . . . A . 19 GLU CG . . . . . . . . . c30642_6pv1 1 . 2 . 803 . 1 1 19 GLU H H -4.369 6.352 0.674 . . . 1.0 . . . . . . . . . . . . A . 19 GLU H . . . . . . . . . c30642_6pv1 1 . 2 . 804 . 1 1 19 GLU HA H -2.256 6.221 2.580 . . . 1.0 . . . . . . . . . . . . A . 19 GLU HA . . . . . . . . . c30642_6pv1 1 . 2 . 805 . 1 1 19 GLU HB2 H -4.777 6.016 3.018 . . . 1.0 . . . . . . . . . . . . A . 19 GLU HB2 . . . . . . . . . c30642_6pv1 1 . 2 . 806 . 1 1 19 GLU HB3 H -4.624 4.362 2.450 . . . 1.0 . . . . . . . . . . . . A . 19 GLU HB3 . . . . . . . . . c30642_6pv1 1 . 2 . 807 . 1 1 19 GLU HG2 H -4.558 4.443 4.857 . . . 1.0 . . . . . . . . . . . . A . 19 GLU HG2 . . . . . . . . . c30642_6pv1 1 . 2 . 808 . 1 1 19 GLU HG3 H -3.008 3.902 4.215 . . . 1.0 . . . . . . . . . . . . A . 19 GLU HG3 . . . . . . . . . c30642_6pv1 1 . 2 . 809 . 1 1 19 GLU N N -3.415 6.354 0.879 . . . 1.0 . . . . . . . . . . . . A . 19 GLU N . . . . . . . . . c30642_6pv1 1 . 2 . 810 . 1 1 19 GLU O O -1.110 4.022 2.049 . . . 1.0 . . . . . . . . . . . . A . 19 GLU O . . . . . . . . . c30642_6pv1 1 . 2 . 811 . 1 1 19 GLU OE1 O -3.667 6.728 5.624 . . . 1.0 . . . . . . . . . . . . A . 19 GLU OE1 . . . . . . . . . c30642_6pv1 1 . 2 . 812 . 1 1 19 GLU OE2 O -1.731 5.824 5.156 . . . 1.0 . . . . . . . . . . . . A . 19 GLU OE2 . . . . . . . . . c30642_6pv1 1 . 2 . 813 . 1 1 20 LEU C C -0.752 3.048 -0.776 . . . 1.0 . . . . . . . . . . . . A . 20 LEU C . . . . . . . . . c30642_6pv1 1 . 2 . 814 . 1 1 20 LEU CA C -2.064 2.593 -0.147 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CA . . . . . . . . . c30642_6pv1 1 . 2 . 815 . 1 1 20 LEU CB C -2.981 1.987 -1.215 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CB . . . . . . . . . c30642_6pv1 1 . 2 . 816 . 1 1 20 LEU CD1 C -1.835 -0.250 -1.321 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CD1 . . . . . . . . . c30642_6pv1 1 . 2 . 817 . 1 1 20 LEU CD2 C -3.311 0.483 -3.193 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CD2 . . . . . . . . . c30642_6pv1 1 . 2 . 818 . 1 1 20 LEU CG C -2.331 0.940 -2.125 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CG . . . . . . . . . c30642_6pv1 1 . 2 . 819 . 1 1 20 LEU H H -3.622 3.980 0.201 . . . 1.0 . . . . . . . . . . . . A . 20 LEU H . . . . . . . . . c30642_6pv1 1 . 2 . 820 . 1 1 20 LEU HA H -1.849 1.845 0.602 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HA . . . . . . . . . c30642_6pv1 1 . 2 . 821 . 1 1 20 LEU HB2 H -3.823 1.528 -0.717 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HB2 . . . . . . . . . c30642_6pv1 1 . 2 . 822 . 1 1 20 LEU HB3 H -3.348 2.790 -1.835 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HB3 . . . . . . . . . c30642_6pv1 1 . 2 . 823 . 1 1 20 LEU HD11 H -2.667 -0.715 -0.817 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD11 . . . . . . . . . c30642_6pv1 1 . 2 . 824 . 1 1 20 LEU HD12 H -1.111 0.084 -0.592 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD12 . . . . . . . . . c30642_6pv1 1 . 2 . 825 . 1 1 20 LEU HD13 H -1.372 -0.964 -1.985 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD13 . . . . . . . . . c30642_6pv1 1 . 2 . 826 . 1 1 20 LEU HD21 H -3.673 1.340 -3.741 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD21 . . . . . . . . . c30642_6pv1 1 . 2 . 827 . 1 1 20 LEU HD22 H -4.142 -0.023 -2.726 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD22 . . . . . . . . . c30642_6pv1 1 . 2 . 828 . 1 1 20 LEU HD23 H -2.814 -0.193 -3.871 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD23 . . . . . . . . . c30642_6pv1 1 . 2 . 829 . 1 1 20 LEU HG H -1.480 1.385 -2.620 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HG . . . . . . . . . c30642_6pv1 1 . 2 . 830 . 1 1 20 LEU N N -2.731 3.711 0.510 . . . 1.0 . . . . . . . . . . . . A . 20 LEU N . . . . . . . . . c30642_6pv1 1 . 2 . 831 . 1 1 20 LEU O O 0.270 2.374 -0.653 . . . 1.0 . . . . . . . . . . . . A . 20 LEU O . . . . . . . . . c30642_6pv1 1 . 2 . 832 . 1 1 21 GLN C C 1.477 5.022 -1.002 . . . 1.0 . . . . . . . . . . . . A . 21 GLN C . . . . . . . . . c30642_6pv1 1 . 2 . 833 . 1 1 21 GLN CA C 0.404 4.766 -2.060 . . . 1.0 . . . . . . . . . . . . A . 21 GLN CA . . . . . . . . . c30642_6pv1 1 . 2 . 834 . 1 1 21 GLN CB C 0.043 6.067 -2.784 . . . 1.0 . . . . . . . . . . . . A . 21 GLN CB . . . . . . . . . c30642_6pv1 1 . 2 . 835 . 1 1 21 GLN CD C 1.800 5.793 -4.581 . . . 1.0 . . . . . . . . . . . . A . 21 GLN CD . . . . . . . . . c30642_6pv1 1 . 2 . 836 . 1 1 21 GLN CG C 1.206 6.705 -3.527 . . . 1.0 . . . . . . . . . . . . A . 21 GLN CG . . . . . . . . . c30642_6pv1 1 . 2 . 837 . 1 1 21 GLN H H -1.650 4.659 -1.546 . . . 1.0 . . . . . . . . . . . . A . 21 GLN H . . . . . . . . . c30642_6pv1 1 . 2 . 838 . 1 1 21 GLN HA H 0.784 4.056 -2.777 . . . 1.0 . . . . . . . . . . . . A . 21 GLN HA . . . . . . . . . c30642_6pv1 1 . 2 . 839 . 1 1 21 GLN HB2 H -0.739 5.860 -3.499 . . . 1.0 . . . . . . . . . . . . A . 21 GLN HB2 . . . . . . . . . c30642_6pv1 1 . 2 . 840 . 1 1 21 GLN HB3 H -0.325 6.777 -2.058 . . . 1.0 . . . . . . . . . . . . A . 21 GLN HB3 . . . . . . . . . c30642_6pv1 1 . 2 . 841 . 1 1 21 GLN HE21 H 3.566 6.673 -4.372 . . . 1.0 . . . . . . . . . . . . A . 21 GLN HE21 . . . . . . . . . c30642_6pv1 1 . 2 . 842 . 1 1 21 GLN HE22 H 3.492 5.399 -5.538 . . . 1.0 . . . . . . . . . . . . A . 21 GLN HE22 . . . . . . . . . c30642_6pv1 1 . 2 . 843 . 1 1 21 GLN HG2 H 0.855 7.605 -4.008 . . . 1.0 . . . . . . . . . . . . A . 21 GLN HG2 . . . . . . . . . c30642_6pv1 1 . 2 . 844 . 1 1 21 GLN HG3 H 1.976 6.957 -2.813 . . . 1.0 . . . . . . . . . . . . A . 21 GLN HG3 . . . . . . . . . c30642_6pv1 1 . 2 . 845 . 1 1 21 GLN N N -0.789 4.192 -1.447 . . . 1.0 . . . . . . . . . . . . A . 21 GLN N . . . . . . . . . c30642_6pv1 1 . 2 . 846 . 1 1 21 GLN NE2 N 3.080 5.970 -4.857 . . . 1.0 . . . . . . . . . . . . A . 21 GLN NE2 . . . . . . . . . c30642_6pv1 1 . 2 . 847 . 1 1 21 GLN O O 2.643 4.658 -1.178 . . . 1.0 . . . . . . . . . . . . A . 21 GLN O . . . . . . . . . c30642_6pv1 1 . 2 . 848 . 1 1 21 GLN OE1 O 1.112 4.943 -5.150 . . . 1.0 . . . . . . . . . . . . A . 21 GLN OE1 . . . . . . . . . c30642_6pv1 1 . 2 . 849 . 1 1 22 ARG C C 2.558 4.565 1.719 . . . 1.0 . . . . . . . . . . . . A . 22 ARG C . . . . . . . . . c30642_6pv1 1 . 2 . 850 . 1 1 22 ARG CA C 1.949 5.876 1.239 . . . 1.0 . . . . . . . . . . . . A . 22 ARG CA . . . . . . . . . c30642_6pv1 1 . 2 . 851 . 1 1 22 ARG CB C 1.168 6.538 2.378 . . . 1.0 . . . . . . . . . . . . A . 22 ARG CB . . . . . . . . . c30642_6pv1 1 . 2 . 852 . 1 1 22 ARG CD C 1.069 7.157 4.809 . . . 1.0 . . . . . . . . . . . . A . 22 ARG CD . . . . . . . . . c30642_6pv1 1 . 2 . 853 . 1 1 22 ARG CG C 1.955 6.671 3.673 . . . 1.0 . . . . . . . . . . . . A . 22 ARG CG . . . . . . . . . c30642_6pv1 1 . 2 . 854 . 1 1 22 ARG CZ C 1.197 6.746 7.240 . . . 1.0 . . . . . . . . . . . . A . 22 ARG CZ . . . . . . . . . c30642_6pv1 1 . 2 . 855 . 1 1 22 ARG H H 0.133 5.945 0.156 . . . 1.0 . . . . . . . . . . . . A . 22 ARG H . . . . . . . . . c30642_6pv1 1 . 2 . 856 . 1 1 22 ARG HA H 2.737 6.536 0.917 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HA . . . . . . . . . c30642_6pv1 1 . 2 . 857 . 1 1 22 ARG HB2 H 0.867 7.525 2.064 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HB2 . . . . . . . . . c30642_6pv1 1 . 2 . 858 . 1 1 22 ARG HB3 H 0.286 5.950 2.578 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HB3 . . . . . . . . . c30642_6pv1 1 . 2 . 859 . 1 1 22 ARG HD2 H 0.758 8.169 4.598 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HD2 . . . . . . . . . c30642_6pv1 1 . 2 . 860 . 1 1 22 ARG HD3 H 0.198 6.520 4.867 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HD3 . . . . . . . . . c30642_6pv1 1 . 2 . 861 . 1 1 22 ARG HE H 2.699 7.433 6.110 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HE . . . . . . . . . c30642_6pv1 1 . 2 . 862 . 1 1 22 ARG HG2 H 2.366 5.707 3.936 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HG2 . . . . . . . . . c30642_6pv1 1 . 2 . 863 . 1 1 22 ARG HG3 H 2.757 7.378 3.525 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HG3 . . . . . . . . . c30642_6pv1 1 . 2 . 864 . 1 1 22 ARG HH11 H -0.491 6.047 8.126 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HH11 . . . . . . . . . c30642_6pv1 1 . 2 . 865 . 1 1 22 ARG HH12 H -0.614 6.312 6.411 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HH12 . . . . . . . . . c30642_6pv1 1 . 2 . 866 . 1 1 22 ARG HH21 H 1.488 6.475 9.227 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HH21 . . . . . . . . . c30642_6pv1 1 . 2 . 867 . 1 1 22 ARG HH22 H 2.862 7.071 8.350 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HH22 . . . . . . . . . c30642_6pv1 1 . 2 . 868 . 1 1 22 ARG N N 1.065 5.637 0.104 . . . 1.0 . . . . . . . . . . . . A . 22 ARG N . . . . . . . . . c30642_6pv1 1 . 2 . 869 . 1 1 22 ARG NE N 1.761 7.134 6.096 . . . 1.0 . . . . . . . . . . . . A . 22 ARG NE . . . . . . . . . c30642_6pv1 1 . 2 . 870 . 1 1 22 ARG NH1 N -0.068 6.337 7.262 . . . 1.0 . . . . . . . . . . . . A . 22 ARG NH1 . . . . . . . . . c30642_6pv1 1 . 2 . 871 . 1 1 22 ARG NH2 N 1.903 6.766 8.362 . . . 1.0 . . . . . . . . . . . . A . 22 ARG NH2 . . . . . . . . . c30642_6pv1 1 . 2 . 872 . 1 1 22 ARG O O 3.763 4.473 1.958 . . . 1.0 . . . . . . . . . . . . A . 22 ARG O . . . . . . . . . c30642_6pv1 1 . 2 . 873 . 1 1 23 HIS C C 3.173 1.637 1.338 . . . 1.0 . . . . . . . . . . . . A . 23 HIS C . . . . . . . . . c30642_6pv1 1 . 2 . 874 . 1 1 23 HIS CA C 2.140 2.241 2.289 . . . 1.0 . . . . . . . . . . . . A . 23 HIS CA . . . . . . . . . c30642_6pv1 1 . 2 . 875 . 1 1 23 HIS CB C 0.923 1.317 2.421 . . . 1.0 . . . . . . . . . . . . A . 23 HIS CB . . . . . . . . . c30642_6pv1 1 . 2 . 876 . 1 1 23 HIS CD2 C 1.461 -1.048 1.568 . . . 1.0 . . . . . . . . . . . . A . 23 HIS CD2 . . . . . . . . . c30642_6pv1 1 . 2 . 877 . 1 1 23 HIS CE1 C 1.869 -2.052 3.454 . . . 1.0 . . . . . . . . . . . . A . 23 HIS CE1 . . . . . . . . . c30642_6pv1 1 . 2 . 878 . 1 1 23 HIS CG C 1.276 -0.130 2.544 . . . 1.0 . . . . . . . . . . . . A . 23 HIS CG . . . . . . . . . c30642_6pv1 1 . 2 . 879 . 1 1 23 HIS H H 0.764 3.697 1.624 . . . 1.0 . . . . . . . . . . . . A . 23 HIS H . . . . . . . . . c30642_6pv1 1 . 2 . 880 . 1 1 23 HIS HA H 2.594 2.356 3.261 . . . 1.0 . . . . . . . . . . . . A . 23 HIS HA . . . . . . . . . c30642_6pv1 1 . 2 . 881 . 1 1 23 HIS HB2 H 0.358 1.598 3.293 . . . 1.0 . . . . . . . . . . . . A . 23 HIS HB2 . . . . . . . . . c30642_6pv1 1 . 2 . 882 . 1 1 23 HIS HB3 H 0.302 1.433 1.544 . . . 1.0 . . . . . . . . . . . . A . 23 HIS HB3 . . . . . . . . . c30642_6pv1 1 . 2 . 883 . 1 1 23 HIS HD1 H 1.475 -0.389 4.646 . . . 1.0 . . . . . . . . . . . . A . 23 HIS HD1 . . . . . . . . . c30642_6pv1 1 . 2 . 884 . 1 1 23 HIS HD2 H 1.322 -0.894 0.508 . . . 1.0 . . . . . . . . . . . . A . 23 HIS HD2 . . . . . . . . . c30642_6pv1 1 . 2 . 885 . 1 1 23 HIS HE1 H 2.117 -2.812 4.179 . . . 1.0 . . . . . . . . . . . . A . 23 HIS HE1 . . . . . . . . . c30642_6pv1 1 . 2 . 886 . 1 1 23 HIS N N 1.713 3.555 1.844 . . . 1.0 . . . . . . . . . . . . A . 23 HIS N . . . . . . . . . c30642_6pv1 1 . 2 . 887 . 1 1 23 HIS ND1 N 1.529 -0.783 3.746 . . . 1.0 . . . . . . . . . . . . A . 23 HIS ND1 . . . . . . . . . c30642_6pv1 1 . 2 . 888 . 1 1 23 HIS NE2 N 1.834 -2.227 2.158 . . . 1.0 . . . . . . . . . . . . A . 23 HIS NE2 . . . . . . . . . c30642_6pv1 1 . 2 . 889 . 1 1 23 HIS O O 4.199 1.128 1.781 . . . 1.0 . . . . . . . . . . . . A . 23 HIS O . . . . . . . . . c30642_6pv1 1 . 2 . 890 . 1 1 24 LYS C C 5.206 1.613 -0.876 . . . 1.0 . . . . . . . . . . . . A . 24 LYS C . . . . . . . . . c30642_6pv1 1 . 2 . 891 . 1 1 24 LYS CA C 3.774 1.102 -0.973 . . . 1.0 . . . . . . . . . . . . A . 24 LYS CA . . . . . . . . . c30642_6pv1 1 . 2 . 892 . 1 1 24 LYS CB C 3.241 1.358 -2.382 . . . 1.0 . . . . . . . . . . . . A . 24 LYS CB . . . . . . . . . c30642_6pv1 1 . 2 . 893 . 1 1 24 LYS CD C 1.592 0.763 -4.170 . . . 1.0 . . . . . . . . . . . . A . 24 LYS CD . . . . . . . . . c30642_6pv1 1 . 2 . 894 . 1 1 24 LYS CE C 0.478 -0.187 -4.567 . . . 1.0 . . . . . . . . . . . . A . 24 LYS CE . . . . . . . . . c30642_6pv1 1 . 2 . 895 . 1 1 24 LYS CG C 1.987 0.573 -2.717 . . . 1.0 . . . . . . . . . . . . A . 24 LYS CG . . . . . . . . . c30642_6pv1 1 . 2 . 896 . 1 1 24 LYS H H 2.092 2.187 -0.255 . . . 1.0 . . . . . . . . . . . . A . 24 LYS H . . . . . . . . . c30642_6pv1 1 . 2 . 897 . 1 1 24 LYS HA H 3.781 0.039 -0.794 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HA . . . . . . . . . c30642_6pv1 1 . 2 . 898 . 1 1 24 LYS HB2 H 3.018 2.409 -2.484 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HB2 . . . . . . . . . c30642_6pv1 1 . 2 . 899 . 1 1 24 LYS HB3 H 4.008 1.092 -3.095 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HB3 . . . . . . . . . c30642_6pv1 1 . 2 . 900 . 1 1 24 LYS HD2 H 1.253 1.779 -4.311 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HD2 . . . . . . . . . c30642_6pv1 1 . 2 . 901 . 1 1 24 LYS HD3 H 2.453 0.578 -4.795 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HD3 . . . . . . . . . c30642_6pv1 1 . 2 . 902 . 1 1 24 LYS HE2 H -0.358 -0.041 -3.899 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HE2 . . . . . . . . . c30642_6pv1 1 . 2 . 903 . 1 1 24 LYS HE3 H 0.172 0.038 -5.577 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HE3 . . . . . . . . . c30642_6pv1 1 . 2 . 904 . 1 1 24 LYS HG2 H 2.166 -0.475 -2.538 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HG2 . . . . . . . . . c30642_6pv1 1 . 2 . 905 . 1 1 24 LYS HG3 H 1.179 0.916 -2.088 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HG3 . . . . . . . . . c30642_6pv1 1 . 2 . 906 . 1 1 24 LYS HZ1 H 1.274 -1.828 -3.546 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HZ1 . . . . . . . . . c30642_6pv1 1 . 2 . 907 . 1 1 24 LYS HZ2 H 1.660 -1.790 -5.191 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HZ2 . . . . . . . . . c30642_6pv1 1 . 2 . 908 . 1 1 24 LYS HZ3 H 0.106 -2.237 -4.698 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HZ3 . . . . . . . . . c30642_6pv1 1 . 2 . 909 . 1 1 24 LYS N N 2.904 1.712 0.037 . . . 1.0 . . . . . . . . . . . . A . 24 LYS N . . . . . . . . . c30642_6pv1 1 . 2 . 910 . 1 1 24 LYS NZ N 0.910 -1.607 -4.495 . . . 1.0 . . . . . . . . . . . . A . 24 LYS NZ . . . . . . . . . c30642_6pv1 1 . 2 . 911 . 1 1 24 LYS O O 6.150 0.923 -1.275 . . . 1.0 . . . . . . . . . . . . A . 24 LYS O . . . . . . . . . c30642_6pv1 1 . 2 . 912 . 1 1 25 ARG C C 7.579 2.552 0.725 . . . 1.0 . . . . . . . . . . . . A . 25 ARG C . . . . . . . . . c30642_6pv1 1 . 2 . 913 . 1 1 25 ARG CA C 6.684 3.410 -0.169 . . . 1.0 . . . . . . . . . . . . A . 25 ARG CA . . . . . . . . . c30642_6pv1 1 . 2 . 914 . 1 1 25 ARG CB C 6.560 4.813 0.417 . . . 1.0 . . . . . . . . . . . . A . 25 ARG CB . . . . . . . . . c30642_6pv1 1 . 2 . 915 . 1 1 25 ARG CD C 5.510 7.085 0.266 . . . 1.0 . . . . . . . . . . . . A . 25 ARG CD . . . . . . . . . c30642_6pv1 1 . 2 . 916 . 1 1 25 ARG CG C 5.690 5.739 -0.411 . . . 1.0 . . . . . . . . . . . . A . 25 ARG CG . . . . . . . . . c30642_6pv1 1 . 2 . 917 . 1 1 25 ARG CZ C 3.738 8.797 0.176 . . . 1.0 . . . . . . . . . . . . A . 25 ARG CZ . . . . . . . . . c30642_6pv1 1 . 2 . 918 . 1 1 25 ARG H H 4.572 3.310 -0.027 . . . 1.0 . . . . . . . . . . . . A . 25 ARG H . . . . . . . . . c30642_6pv1 1 . 2 . 919 . 1 1 25 ARG HA H 7.135 3.477 -1.147 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HA . . . . . . . . . c30642_6pv1 1 . 2 . 920 . 1 1 25 ARG HB2 H 6.130 4.739 1.405 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HB2 . . . . . . . . . c30642_6pv1 1 . 2 . 921 . 1 1 25 ARG HB3 H 7.545 5.249 0.493 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HB3 . . . . . . . . . c30642_6pv1 1 . 2 . 922 . 1 1 25 ARG HD2 H 5.182 6.921 1.282 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HD2 . . . . . . . . . c30642_6pv1 1 . 2 . 923 . 1 1 25 ARG HD3 H 6.458 7.602 0.274 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HD3 . . . . . . . . . c30642_6pv1 1 . 2 . 924 . 1 1 25 ARG HE H 4.441 7.782 -1.399 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HE . . . . . . . . . c30642_6pv1 1 . 2 . 925 . 1 1 25 ARG HG2 H 6.156 5.889 -1.373 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HG2 . . . . . . . . . c30642_6pv1 1 . 2 . 926 . 1 1 25 ARG HG3 H 4.722 5.284 -0.546 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HG3 . . . . . . . . . c30642_6pv1 1 . 2 . 927 . 1 1 25 ARG HH11 H 3.241 9.672 1.938 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HH11 . . . . . . . . . c30642_6pv1 1 . 2 . 928 . 1 1 25 ARG HH12 H 4.509 8.490 2.027 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HH12 . . . . . . . . . c30642_6pv1 1 . 2 . 929 . 1 1 25 ARG HH21 H 2.774 9.333 -1.524 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HH21 . . . . . . . . . c30642_6pv1 1 . 2 . 930 . 1 1 25 ARG HH22 H 2.254 10.153 -0.085 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HH22 . . . . . . . . . c30642_6pv1 1 . 2 . 931 . 1 1 25 ARG N N 5.366 2.811 -0.329 . . . 1.0 . . . . . . . . . . . . A . 25 ARG N . . . . . . . . . c30642_6pv1 1 . 2 . 932 . 1 1 25 ARG NE N 4.524 7.909 -0.426 . . . 1.0 . . . . . . . . . . . . A . 25 ARG NE . . . . . . . . . c30642_6pv1 1 . 2 . 933 . 1 1 25 ARG NH1 N 3.836 9.001 1.485 . . . 1.0 . . . . . . . . . . . . A . 25 ARG NH1 . . . . . . . . . c30642_6pv1 1 . 2 . 934 . 1 1 25 ARG NH2 N 2.852 9.481 -0.533 . . . 1.0 . . . . . . . . . . . . A . 25 ARG NH2 . . . . . . . . . c30642_6pv1 1 . 2 . 935 . 1 1 25 ARG O O 8.804 2.653 0.662 . . . 1.0 . . . . . . . . . . . . A . 25 ARG O . . . . . . . . . c30642_6pv1 1 . 2 . 936 . 1 1 26 THR C C 8.304 -0.361 1.730 . . . 1.0 . . . . . . . . . . . . A . 26 THR C . . . . . . . . . c30642_6pv1 1 . 2 . 937 . 1 1 26 THR CA C 7.721 0.852 2.453 . . . 1.0 . . . . . . . . . . . . A . 26 THR CA . . . . . . . . . c30642_6pv1 1 . 2 . 938 . 1 1 26 THR CB C 6.852 0.370 3.634 . . . 1.0 . . . . . . . . . . . . A . 26 THR CB . . . . . . . . . c30642_6pv1 1 . 2 . 939 . 1 1 26 THR CG2 C 6.316 1.549 4.432 . . . 1.0 . . . . . . . . . . . . A . 26 THR CG2 . . . . . . . . . c30642_6pv1 1 . 2 . 940 . 1 1 26 THR H H 5.988 1.638 1.522 . . . 1.0 . . . . . . . . . . . . A . 26 THR H . . . . . . . . . c30642_6pv1 1 . 2 . 941 . 1 1 26 THR HA H 8.533 1.440 2.851 . . . 1.0 . . . . . . . . . . . . A . 26 THR HA . . . . . . . . . c30642_6pv1 1 . 2 . 942 . 1 1 26 THR HB H 7.464 -0.238 4.284 . . . 1.0 . . . . . . . . . . . . A . 26 THR HB . . . . . . . . . c30642_6pv1 1 . 2 . 943 . 1 1 26 THR HG1 H 5.055 0.162 2.832 . . . 1.0 . . . . . . . . . . . . A . 26 THR HG1 . . . . . . . . . c30642_6pv1 1 . 2 . 944 . 1 1 26 THR HG21 H 5.739 1.185 5.269 . . . 1.0 . . . . . . . . . . . . A . 26 THR HG21 . . . . . . . . . c30642_6pv1 1 . 2 . 945 . 1 1 26 THR HG22 H 5.686 2.157 3.798 . . . 1.0 . . . . . . . . . . . . A . 26 THR HG22 . . . . . . . . . c30642_6pv1 1 . 2 . 946 . 1 1 26 THR HG23 H 7.142 2.143 4.796 . . . 1.0 . . . . . . . . . . . . A . 26 THR HG23 . . . . . . . . . c30642_6pv1 1 . 2 . 947 . 1 1 26 THR N N 6.968 1.699 1.538 . . . 1.0 . . . . . . . . . . . . A . 26 THR N . . . . . . . . . c30642_6pv1 1 . 2 . 948 . 1 1 26 THR O O 9.249 -0.983 2.208 . . . 1.0 . . . . . . . . . . . . A . 26 THR O . . . . . . . . . c30642_6pv1 1 . 2 . 949 . 1 1 26 THR OG1 O 5.759 -0.422 3.153 . . . 1.0 . . . . . . . . . . . . A . 26 THR OG1 . . . . . . . . . c30642_6pv1 1 . 2 . 950 . 1 1 27 HIS C C 9.321 -1.278 -1.177 . . . 1.0 . . . . . . . . . . . . A . 27 HIS C . . . . . . . . . c30642_6pv1 1 . 2 . 951 . 1 1 27 HIS CA C 8.260 -1.802 -0.222 . . . 1.0 . . . . . . . . . . . . A . 27 HIS CA . . . . . . . . . c30642_6pv1 1 . 2 . 952 . 1 1 27 HIS CB C 7.163 -2.496 -1.036 . . . 1.0 . . . . . . . . . . . . A . 27 HIS CB . . . . . . . . . c30642_6pv1 1 . 2 . 953 . 1 1 27 HIS CD2 C 4.794 -2.891 -0.106 . . . 1.0 . . . . . . . . . . . . A . 27 HIS CD2 . . . . . . . . . c30642_6pv1 1 . 2 . 954 . 1 1 27 HIS CE1 C 5.126 -4.714 1.040 . . . 1.0 . . . . . . . . . . . . A . 27 HIS CE1 . . . . . . . . . c30642_6pv1 1 . 2 . 955 . 1 1 27 HIS CG C 6.109 -3.189 -0.231 . . . 1.0 . . . . . . . . . . . . A . 27 HIS CG . . . . . . . . . c30642_6pv1 1 . 2 . 956 . 1 1 27 HIS H H 6.943 -0.215 0.267 . . . 1.0 . . . . . . . . . . . . A . 27 HIS H . . . . . . . . . c30642_6pv1 1 . 2 . 957 . 1 1 27 HIS HA H 8.712 -2.519 0.448 . . . 1.0 . . . . . . . . . . . . A . 27 HIS HA . . . . . . . . . c30642_6pv1 1 . 2 . 958 . 1 1 27 HIS HB2 H 6.667 -1.758 -1.647 . . . 1.0 . . . . . . . . . . . . A . 27 HIS HB2 . . . . . . . . . c30642_6pv1 1 . 2 . 959 . 1 1 27 HIS HB3 H 7.623 -3.234 -1.680 . . . 1.0 . . . . . . . . . . . . A . 27 HIS HB3 . . . . . . . . . c30642_6pv1 1 . 2 . 960 . 1 1 27 HIS HD1 H 7.167 -4.826 0.629 . . . 1.0 . . . . . . . . . . . . A . 27 HIS HD1 . . . . . . . . . c30642_6pv1 1 . 2 . 961 . 1 1 27 HIS HD2 H 4.282 -2.058 -0.559 . . . 1.0 . . . . . . . . . . . . A . 27 HIS HD2 . . . . . . . . . c30642_6pv1 1 . 2 . 962 . 1 1 27 HIS HE1 H 4.955 -5.586 1.653 . . . 1.0 . . . . . . . . . . . . A . 27 HIS HE1 . . . . . . . . . c30642_6pv1 1 . 2 . 963 . 1 1 27 HIS N N 7.731 -0.707 0.581 . . . 1.0 . . . . . . . . . . . . A . 27 HIS N . . . . . . . . . c30642_6pv1 1 . 2 . 964 . 1 1 27 HIS ND1 N 6.312 -4.353 0.511 . . . 1.0 . . . . . . . . . . . . A . 27 HIS ND1 . . . . . . . . . c30642_6pv1 1 . 2 . 965 . 1 1 27 HIS NE2 N 4.209 -3.853 0.685 . . . 1.0 . . . . . . . . . . . . A . 27 HIS NE2 . . . . . . . . . c30642_6pv1 1 . 2 . 966 . 1 1 27 HIS O O 10.351 -1.915 -1.391 . . . 1.0 . . . . . . . . . . . . A . 27 HIS O . . . . . . . . . c30642_6pv1 1 . 2 . 967 . 1 1 28 THR C C 11.203 1.062 -2.015 . . . 1.0 . . . . . . . . . . . . A . 28 THR C . . . . . . . . . c30642_6pv1 1 . 2 . 968 . 1 1 28 THR CA C 9.971 0.488 -2.711 . . . 1.0 . . . . . . . . . . . . A . 28 THR CA . . . . . . . . . c30642_6pv1 1 . 2 . 969 . 1 1 28 THR CB C 9.269 1.585 -3.531 . . . 1.0 . . . . . . . . . . . . A . 28 THR CB . . . . . . . . . c30642_6pv1 1 . 2 . 970 . 1 1 28 THR CG2 C 8.255 0.972 -4.491 . . . 1.0 . . . . . . . . . . . . A . 28 THR CG2 . . . . . . . . . c30642_6pv1 1 . 2 . 971 . 1 1 28 THR H H 8.221 0.358 -1.536 . . . 1.0 . . . . . . . . . . . . A . 28 THR H . . . . . . . . . c30642_6pv1 1 . 2 . 972 . 1 1 28 THR HA H 10.290 -0.289 -3.390 . . . 1.0 . . . . . . . . . . . . A . 28 THR HA . . . . . . . . . c30642_6pv1 1 . 2 . 973 . 1 1 28 THR HB H 10.012 2.115 -4.107 . . . 1.0 . . . . . . . . . . . . A . 28 THR HB . . . . . . . . . c30642_6pv1 1 . 2 . 974 . 1 1 28 THR HG1 H 9.223 3.217 -2.413 . . . 1.0 . . . . . . . . . . . . A . 28 THR HG1 . . . . . . . . . c30642_6pv1 1 . 2 . 975 . 1 1 28 THR HG21 H 7.776 1.755 -5.060 . . . 1.0 . . . . . . . . . . . . A . 28 THR HG21 . . . . . . . . . c30642_6pv1 1 . 2 . 976 . 1 1 28 THR HG22 H 7.509 0.429 -3.930 . . . 1.0 . . . . . . . . . . . . A . 28 THR HG22 . . . . . . . . . c30642_6pv1 1 . 2 . 977 . 1 1 28 THR HG23 H 8.758 0.295 -5.164 . . . 1.0 . . . . . . . . . . . . A . 28 THR HG23 . . . . . . . . . c30642_6pv1 1 . 2 . 978 . 1 1 28 THR N N 9.058 -0.110 -1.753 . . . 1.0 . . . . . . . . . . . . A . 28 THR N . . . . . . . . . c30642_6pv1 1 . 2 . 979 . 1 1 28 THR O O 12.283 1.136 -2.602 . . . 1.0 . . . . . . . . . . . . A . 28 THR O . . . . . . . . . c30642_6pv1 1 . 2 . 980 . 1 1 28 THR OG1 O 8.609 2.512 -2.654 . . . 1.0 . . . . . . . . . . . . A . 28 THR OG1 . . . . . . . . . c30642_6pv1 1 . 2 . 981 . 1 1 29 GLY C C 12.698 0.885 0.928 . . . 1.0 . . . . . . . . . . . . A . 29 GLY C . . . . . . . . . c30642_6pv1 1 . 2 . 982 . 1 1 29 GLY CA C 12.155 1.955 0.010 . . . 1.0 . . . . . . . . . . . . A . 29 GLY CA . . . . . . . . . c30642_6pv1 1 . 2 . 983 . 1 1 29 GLY H H 10.144 1.420 -0.356 . . . 1.0 . . . . . . . . . . . . A . 29 GLY H . . . . . . . . . c30642_6pv1 1 . 2 . 984 . 1 1 29 GLY HA2 H 12.935 2.277 -0.664 . . . 1.0 . . . . . . . . . . . . A . 29 GLY HA2 . . . . . . . . . c30642_6pv1 1 . 2 . 985 . 1 1 29 GLY HA3 H 11.831 2.796 0.603 . . . 1.0 . . . . . . . . . . . . A . 29 GLY HA3 . . . . . . . . . c30642_6pv1 1 . 2 . 986 . 1 1 29 GLY N N 11.037 1.464 -0.764 . . . 1.0 . . . . . . . . . . . . A . 29 GLY N . . . . . . . . . c30642_6pv1 1 . 2 . 987 . 1 1 29 GLY O O 11.961 0.334 1.744 . . . 1.0 . . . . . . . . . . . . A . 29 GLY O . . . . . . . . . c30642_6pv1 1 . 2 . 988 . 1 1 30 GLU C C 14.856 0.022 3.003 . . . 1.0 . . . . . . . . . . . . A . 30 GLU C . . . . . . . . . c30642_6pv1 1 . 2 . 989 . 1 1 30 GLU CA C 14.590 -0.476 1.587 . . . 1.0 . . . . . . . . . . . . A . 30 GLU CA . . . . . . . . . c30642_6pv1 1 . 2 . 990 . 1 1 30 GLU CB C 15.882 -0.952 0.929 . . . 1.0 . . . . . . . . . . . . A . 30 GLU CB . . . . . . . . . c30642_6pv1 1 . 2 . 991 . 1 1 30 GLU CD C 17.789 -2.579 0.925 . . . 1.0 . . . . . . . . . . . . A . 30 GLU CD . . . . . . . . . c30642_6pv1 1 . 2 . 992 . 1 1 30 GLU CG C 16.522 -2.141 1.617 . . . 1.0 . . . . . . . . . . . . A . 30 GLU CG . . . . . . . . . c30642_6pv1 1 . 2 . 993 . 1 1 30 GLU H H 14.528 1.074 0.149 . . . 1.0 . . . . . . . . . . . . A . 30 GLU H . . . . . . . . . c30642_6pv1 1 . 2 . 994 . 1 1 30 GLU HA H 13.896 -1.300 1.634 . . . 1.0 . . . . . . . . . . . . A . 30 GLU HA . . . . . . . . . c30642_6pv1 1 . 2 . 995 . 1 1 30 GLU HB2 H 15.669 -1.232 -0.093 . . . 1.0 . . . . . . . . . . . . A . 30 GLU HB2 . . . . . . . . . c30642_6pv1 1 . 2 . 996 . 1 1 30 GLU HB3 H 16.593 -0.140 0.928 . . . 1.0 . . . . . . . . . . . . A . 30 GLU HB3 . . . . . . . . . c30642_6pv1 1 . 2 . 997 . 1 1 30 GLU HG2 H 16.758 -1.869 2.636 . . . 1.0 . . . . . . . . . . . . A . 30 GLU HG2 . . . . . . . . . c30642_6pv1 1 . 2 . 998 . 1 1 30 GLU HG3 H 15.823 -2.963 1.616 . . . 1.0 . . . . . . . . . . . . A . 30 GLU HG3 . . . . . . . . . c30642_6pv1 1 . 2 . 999 . 1 1 30 GLU N N 13.978 0.577 0.791 . . . 1.0 . . . . . . . . . . . . A . 30 GLU N . . . . . . . . . c30642_6pv1 1 . 2 . 1000 . 1 1 30 GLU O O 14.595 -0.684 3.978 . . . 1.0 . . . . . . . . . . . . A . 30 GLU O . . . . . . . . . c30642_6pv1 1 . 2 . 1001 . 1 1 30 GLU OE1 O 18.860 -2.008 1.220 . . . 1.0 . . . . . . . . . . . . A . 30 GLU OE1 . . . . . . . . . c30642_6pv1 1 . 2 . 1002 . 1 1 30 GLU OE2 O 17.724 -3.486 0.071 . . . 1.0 . . . . . . . . . . . . A . 30 GLU OE2 . . . . . . . . . c30642_6pv1 1 . 2 . 1003 . 1 1 31 LYS C C 14.610 3.007 4.636 . . . 1.0 . . . . . . . . . . . . A . 31 LYS C . . . . . . . . . c30642_6pv1 1 . 2 . 1004 . 1 1 31 LYS CA C 15.593 1.859 4.410 . . . 1.0 . . . . . . . . . . . . A . 31 LYS CA . . . . . . . . . c30642_6pv1 1 . 2 . 1005 . 1 1 31 LYS CB C 17.045 2.348 4.534 . . . 1.0 . . . . . . . . . . . . A . 31 LYS CB . . . . . . . . . c30642_6pv1 1 . 2 . 1006 . 1 1 31 LYS CD C 18.871 3.841 3.628 . . . 1.0 . . . . . . . . . . . . A . 31 LYS CD . . . . . . . . . c30642_6pv1 1 . 2 . 1007 . 1 1 31 LYS CE C 19.970 2.826 3.909 . . . 1.0 . . . . . . . . . . . . A . 31 LYS CE . . . . . . . . . c30642_6pv1 1 . 2 . 1008 . 1 1 31 LYS CG C 17.529 3.176 3.349 . . . 1.0 . . . . . . . . . . . . A . 31 LYS CG . . . . . . . . . c30642_6pv1 1 . 2 . 1009 . 1 1 31 LYS H H 15.584 1.744 2.297 . . . 1.0 . . . . . . . . . . . . A . 31 LYS H . . . . . . . . . c30642_6pv1 1 . 2 . 1010 . 1 1 31 LYS HA H 15.414 1.105 5.164 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HA . . . . . . . . . c30642_6pv1 1 . 2 . 1011 . 1 1 31 LYS HB2 H 17.134 2.953 5.423 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HB2 . . . . . . . . . c30642_6pv1 1 . 2 . 1012 . 1 1 31 LYS HB3 H 17.693 1.489 4.631 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HB3 . . . . . . . . . c30642_6pv1 1 . 2 . 1013 . 1 1 31 LYS HD2 H 19.155 4.426 2.765 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HD2 . . . . . . . . . c30642_6pv1 1 . 2 . 1014 . 1 1 31 LYS HD3 H 18.766 4.490 4.485 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HD3 . . . . . . . . . c30642_6pv1 1 . 2 . 1015 . 1 1 31 LYS HE2 H 20.878 3.356 4.151 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HE2 . . . . . . . . . c30642_6pv1 1 . 2 . 1016 . 1 1 31 LYS HE3 H 19.675 2.219 4.753 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HE3 . . . . . . . . . c30642_6pv1 1 . 2 . 1017 . 1 1 31 LYS HG2 H 17.632 2.529 2.492 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HG2 . . . . . . . . . c30642_6pv1 1 . 2 . 1018 . 1 1 31 LYS HG3 H 16.795 3.940 3.136 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HG3 . . . . . . . . . c30642_6pv1 1 . 2 . 1019 . 1 1 31 LYS HZ1 H 21.002 1.280 2.961 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HZ1 . . . . . . . . . c30642_6pv1 1 . 2 . 1020 . 1 1 31 LYS HZ2 H 20.496 2.507 1.915 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HZ2 . . . . . . . . . c30642_6pv1 1 . 2 . 1021 . 1 1 31 LYS HZ3 H 19.378 1.392 2.513 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HZ3 . . . . . . . . . c30642_6pv1 1 . 2 . 1022 . 1 1 31 LYS N N 15.363 1.242 3.112 . . . 1.0 . . . . . . . . . . . . A . 31 LYS N . . . . . . . . . c30642_6pv1 1 . 2 . 1023 . 1 1 31 LYS NZ N 20.230 1.942 2.744 . . . 1.0 . . . . . . . . . . . . A . 31 LYS NZ . . . . . . . . . c30642_6pv1 1 . 2 . 1024 . 1 1 31 LYS O O 14.984 4.181 4.673 . . . 1.0 . . . . . . . . . . . . A . 31 LYS O . . . . . . . . . c30642_6pv1 1 . 2 . 1025 . 1 1 32 NH2 HN1 H 13.111 1.710 4.749 . . . 1.0 . . . . . . . . . . . . A . 32 NH2 HN1 . . . . . . . . . c30642_6pv1 1 . 2 . 1026 . 1 1 32 NH2 HN2 H 12.684 3.377 4.939 . . . 1.0 . . . . . . . . . . . . A . 32 NH2 HN2 . . . . . . . . . c30642_6pv1 1 . 2 . 1027 . 1 1 32 NH2 N N 13.342 2.665 4.790 . . . 1.0 . . . . . . . . . . . . A . 32 NH2 N . . . . . . . . . c30642_6pv1 1 . 2 . 1028 . 2 2 1 ZN ZN Zn 2.273 -3.896 1.171 . . . 1.0 . . . . . . . . . . . . A . 101 ZN ZN . . . . . . . . . c30642_6pv1 1 . 3 . 1029 . 1 1 1 ARG C C -12.026 -0.693 -3.334 . . . 1.0 . . . . . . . . . . . . A . 1 ARG C . . . . . . . . . c30642_6pv1 1 . 3 . 1030 . 1 1 1 ARG CA C -12.979 -0.836 -4.517 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CA . . . . . . . . . c30642_6pv1 1 . 3 . 1031 . 1 1 1 ARG CB C -12.173 -1.029 -5.812 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CB . . . . . . . . . c30642_6pv1 1 . 3 . 1032 . 1 1 1 ARG CD C -10.333 -0.213 -7.324 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CD . . . . . . . . . c30642_6pv1 1 . 3 . 1033 . 1 1 1 ARG CG C -11.143 0.063 -6.068 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CG . . . . . . . . . c30642_6pv1 1 . 3 . 1034 . 1 1 1 ARG CZ C -10.695 -0.167 -9.765 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CZ . . . . . . . . . c30642_6pv1 1 . 3 . 1035 . 1 1 1 ARG H1 H -13.256 1.217 -4.710 . . . 1.0 . . . . . . . . . . . . A . 1 ARG H1 . . . . . . . . . c30642_6pv1 1 . 3 . 1036 . 1 1 1 ARG H2 H -14.429 0.451 -3.767 . . . 1.0 . . . . . . . . . . . . A . 1 ARG H2 . . . . . . . . . c30642_6pv1 1 . 3 . 1037 . 1 1 1 ARG H3 H -14.462 0.289 -5.450 . . . 1.0 . . . . . . . . . . . . A . 1 ARG H3 . . . . . . . . . c30642_6pv1 1 . 3 . 1038 . 1 1 1 ARG HA H -13.613 -1.694 -4.360 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HA . . . . . . . . . c30642_6pv1 1 . 3 . 1039 . 1 1 1 ARG HB2 H -11.655 -1.976 -5.761 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HB2 . . . . . . . . . c30642_6pv1 1 . 3 . 1040 . 1 1 1 ARG HB3 H -12.858 -1.050 -6.647 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HB3 . . . . . . . . . c30642_6pv1 1 . 3 . 1041 . 1 1 1 ARG HD2 H -9.586 0.558 -7.431 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HD2 . . . . . . . . . c30642_6pv1 1 . 3 . 1042 . 1 1 1 ARG HD3 H -9.847 -1.171 -7.220 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HD3 . . . . . . . . . c30642_6pv1 1 . 3 . 1043 . 1 1 1 ARG HE H -12.142 -0.293 -8.392 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HE . . . . . . . . . c30642_6pv1 1 . 3 . 1044 . 1 1 1 ARG HG2 H -11.655 1.007 -6.183 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HG2 . . . . . . . . . c30642_6pv1 1 . 3 . 1045 . 1 1 1 ARG HG3 H -10.473 0.116 -5.223 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HG3 . . . . . . . . . c30642_6pv1 1 . 3 . 1046 . 1 1 1 ARG HH11 H -9.030 -0.020 -10.916 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH11 . . . . . . . . . c30642_6pv1 1 . 3 . 1047 . 1 1 1 ARG HH12 H -8.750 -0.040 -9.206 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH12 . . . . . . . . . c30642_6pv1 1 . 3 . 1048 . 1 1 1 ARG HH21 H -11.186 -0.147 -11.731 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH21 . . . . . . . . . c30642_6pv1 1 . 3 . 1049 . 1 1 1 ARG HH22 H -12.523 -0.260 -10.633 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH22 . . . . . . . . . c30642_6pv1 1 . 3 . 1050 . 1 1 1 ARG N N -13.841 0.362 -4.618 . . . 1.0 . . . . . . . . . . . . A . 1 ARG N . . . . . . . . . c30642_6pv1 1 . 3 . 1051 . 1 1 1 ARG NE N -11.169 -0.232 -8.523 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NE . . . . . . . . . c30642_6pv1 1 . 3 . 1052 . 1 1 1 ARG NH1 N -9.389 -0.070 -9.980 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NH1 . . . . . . . . . c30642_6pv1 1 . 3 . 1053 . 1 1 1 ARG NH2 N -11.533 -0.195 -10.793 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NH2 . . . . . . . . . c30642_6pv1 1 . 3 . 1054 . 1 1 1 ARG O O -11.550 0.407 -3.051 . . . 1.0 . . . . . . . . . . . . A . 1 ARG O . . . . . . . . . c30642_6pv1 1 . 3 . 1055 . 1 1 2 PRO C C -9.347 -1.712 -2.106 . . . 1.0 . . . . . . . . . . . . A . 2 PRO C . . . . . . . . . c30642_6pv1 1 . 3 . 1056 . 1 1 2 PRO CA C -10.758 -1.782 -1.537 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CA . . . . . . . . . c30642_6pv1 1 . 3 . 1057 . 1 1 2 PRO CB C -10.969 -3.115 -0.807 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CB . . . . . . . . . c30642_6pv1 1 . 3 . 1058 . 1 1 2 PRO CD C -12.385 -3.109 -2.742 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CD . . . . . . . . . c30642_6pv1 1 . 3 . 1059 . 1 1 2 PRO CG C -12.228 -3.690 -1.365 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CG . . . . . . . . . c30642_6pv1 1 . 3 . 1060 . 1 1 2 PRO HA H -10.913 -0.960 -0.855 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HA . . . . . . . . . c30642_6pv1 1 . 3 . 1061 . 1 1 2 PRO HB2 H -10.126 -3.761 -0.993 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HB2 . . . . . . . . . c30642_6pv1 1 . 3 . 1062 . 1 1 2 PRO HB3 H -11.057 -2.934 0.254 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HB3 . . . . . . . . . c30642_6pv1 1 . 3 . 1063 . 1 1 2 PRO HD2 H -11.867 -3.715 -3.472 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HD2 . . . . . . . . . c30642_6pv1 1 . 3 . 1064 . 1 1 2 PRO HD3 H -13.429 -3.016 -2.993 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HD3 . . . . . . . . . c30642_6pv1 1 . 3 . 1065 . 1 1 2 PRO HG2 H -12.147 -4.766 -1.419 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HG2 . . . . . . . . . c30642_6pv1 1 . 3 . 1066 . 1 1 2 PRO HG3 H -13.067 -3.410 -0.743 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HG3 . . . . . . . . . c30642_6pv1 1 . 3 . 1067 . 1 1 2 PRO N N -11.754 -1.789 -2.605 . . . 1.0 . . . . . . . . . . . . A . 2 PRO N . . . . . . . . . c30642_6pv1 1 . 3 . 1068 . 1 1 2 PRO O O -9.012 -2.437 -3.047 . . . 1.0 . . . . . . . . . . . . A . 2 PRO O . . . . . . . . . c30642_6pv1 1 . 3 . 1069 . 1 1 3 PHE C C -6.238 -1.635 -1.349 . . . 1.0 . . . . . . . . . . . . A . 3 PHE C . . . . . . . . . c30642_6pv1 1 . 3 . 1070 . 1 1 3 PHE CA C -7.176 -0.647 -2.022 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CA . . . . . . . . . c30642_6pv1 1 . 3 . 1071 . 1 1 3 PHE CB C -6.734 0.794 -1.767 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CB . . . . . . . . . c30642_6pv1 1 . 3 . 1072 . 1 1 3 PHE CD1 C -7.489 2.130 -3.752 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD1 . . . . . . . . . c30642_6pv1 1 . 3 . 1073 . 1 1 3 PHE CD2 C -8.628 2.429 -1.681 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD2 . . . . . . . . . c30642_6pv1 1 . 3 . 1074 . 1 1 3 PHE CE1 C -8.308 3.068 -4.345 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE1 . . . . . . . . . c30642_6pv1 1 . 3 . 1075 . 1 1 3 PHE CE2 C -9.453 3.368 -2.268 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE2 . . . . . . . . . c30642_6pv1 1 . 3 . 1076 . 1 1 3 PHE CG C -7.641 1.799 -2.415 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CG . . . . . . . . . c30642_6pv1 1 . 3 . 1077 . 1 1 3 PHE CZ C -9.343 3.627 -3.625 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CZ . . . . . . . . . c30642_6pv1 1 . 3 . 1078 . 1 1 3 PHE H H -8.837 -0.338 -0.755 . . . 1.0 . . . . . . . . . . . . A . 3 PHE H . . . . . . . . . c30642_6pv1 1 . 3 . 1079 . 1 1 3 PHE HA H -7.175 -0.834 -3.085 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HA . . . . . . . . . c30642_6pv1 1 . 3 . 1080 . 1 1 3 PHE HB2 H -6.727 0.983 -0.704 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB2 . . . . . . . . . c30642_6pv1 1 . 3 . 1081 . 1 1 3 PHE HB3 H -5.742 0.937 -2.162 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB3 . . . . . . . . . c30642_6pv1 1 . 3 . 1082 . 1 1 3 PHE HD1 H -6.723 1.641 -4.333 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD1 . . . . . . . . . c30642_6pv1 1 . 3 . 1083 . 1 1 3 PHE HD2 H -8.754 2.178 -0.639 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD2 . . . . . . . . . c30642_6pv1 1 . 3 . 1084 . 1 1 3 PHE HE1 H -8.179 3.315 -5.389 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE1 . . . . . . . . . c30642_6pv1 1 . 3 . 1085 . 1 1 3 PHE HE2 H -10.223 3.849 -1.686 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE2 . . . . . . . . . c30642_6pv1 1 . 3 . 1086 . 1 1 3 PHE HZ H -10.005 4.338 -4.097 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HZ . . . . . . . . . c30642_6pv1 1 . 3 . 1087 . 1 1 3 PHE N N -8.529 -0.847 -1.537 . . . 1.0 . . . . . . . . . . . . A . 3 PHE N . . . . . . . . . c30642_6pv1 1 . 3 . 1088 . 1 1 3 PHE O O -5.696 -1.373 -0.278 . . . 1.0 . . . . . . . . . . . . A . 3 PHE O . . . . . . . . . c30642_6pv1 1 . 3 . 1089 . 1 1 4 NLE C C -3.901 -3.929 -1.976 . . . 1.0 . . . . . . . . . . . . A . 4 NLE C . . . . . . . . . c30642_6pv1 1 . 3 . 1090 . 1 1 4 NLE CA C -5.306 -3.872 -1.400 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CA . . . . . . . . . c30642_6pv1 1 . 3 . 1091 . 1 1 4 NLE CB C -6.022 -5.201 -1.644 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CB . . . . . . . . . c30642_6pv1 1 . 3 . 1092 . 1 1 4 NLE CD C -5.972 -7.708 -1.524 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CD . . . . . . . . . c30642_6pv1 1 . 3 . 1093 . 1 1 4 NLE CE C -5.156 -8.907 -1.095 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CE . . . . . . . . . c30642_6pv1 1 . 3 . 1094 . 1 1 4 NLE CG C -5.267 -6.418 -1.131 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CG . . . . . . . . . c30642_6pv1 1 . 3 . 1095 . 1 1 4 NLE H H -6.474 -2.898 -2.867 . . . 1.0 . . . . . . . . . . . . A . 4 NLE H . . . . . . . . . c30642_6pv1 1 . 3 . 1096 . 1 1 4 NLE HA H -5.239 -3.699 -0.337 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HA . . . . . . . . . c30642_6pv1 1 . 3 . 1097 . 1 1 4 NLE HB2 H -6.172 -5.320 -2.705 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HB2 . . . . . . . . . c30642_6pv1 1 . 3 . 1098 . 1 1 4 NLE HB3 H -6.983 -5.171 -1.157 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HB3 . . . . . . . . . c30642_6pv1 1 . 3 . 1099 . 1 1 4 NLE HD2 H -6.096 -7.738 -2.597 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HD2 . . . . . . . . . c30642_6pv1 1 . 3 . 1100 . 1 1 4 NLE HD3 H -6.935 -7.752 -1.039 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HD3 . . . . . . . . . c30642_6pv1 1 . 3 . 1101 . 1 1 4 NLE HE1 H -4.188 -8.874 -1.572 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HE1 . . . . . . . . . c30642_6pv1 1 . 3 . 1102 . 1 1 4 NLE HE2 H -5.669 -9.813 -1.385 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HE2 . . . . . . . . . c30642_6pv1 1 . 3 . 1103 . 1 1 4 NLE HE3 H -5.031 -8.893 -0.022 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HE3 . . . . . . . . . c30642_6pv1 1 . 3 . 1104 . 1 1 4 NLE HG2 H -5.206 -6.365 -0.054 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HG2 . . . . . . . . . c30642_6pv1 1 . 3 . 1105 . 1 1 4 NLE HG3 H -4.272 -6.418 -1.552 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HG3 . . . . . . . . . c30642_6pv1 1 . 3 . 1106 . 1 1 4 NLE N N -6.073 -2.782 -1.980 . . . 1.0 . . . . . . . . . . . . A . 4 NLE N . . . . . . . . . c30642_6pv1 1 . 3 . 1107 . 1 1 4 NLE O O -3.715 -4.043 -3.190 . . . 1.0 . . . . . . . . . . . . A . 4 NLE O . . . . . . . . . c30642_6pv1 1 . 3 . 1108 . 1 1 5 CYS C C -1.284 -5.479 -1.847 . . . 1.0 . . . . . . . . . . . . A . 5 CYS C . . . . . . . . . c30642_6pv1 1 . 3 . 1109 . 1 1 5 CYS CA C -1.534 -4.024 -1.488 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CA . . . . . . . . . c30642_6pv1 1 . 3 . 1110 . 1 1 5 CYS CB C -0.598 -3.603 -0.365 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CB . . . . . . . . . c30642_6pv1 1 . 3 . 1111 . 1 1 5 CYS H H -3.132 -3.661 -0.157 . . . 1.0 . . . . . . . . . . . . A . 5 CYS H . . . . . . . . . c30642_6pv1 1 . 3 . 1112 . 1 1 5 CYS HA H -1.348 -3.410 -2.355 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HA . . . . . . . . . c30642_6pv1 1 . 3 . 1113 . 1 1 5 CYS HB2 H -0.683 -2.538 -0.208 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB2 . . . . . . . . . c30642_6pv1 1 . 3 . 1114 . 1 1 5 CYS HB3 H -0.880 -4.119 0.539 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB3 . . . . . . . . . c30642_6pv1 1 . 3 . 1115 . 1 1 5 CYS N N -2.918 -3.846 -1.098 . . . 1.0 . . . . . . . . . . . . A . 5 CYS N . . . . . . . . . c30642_6pv1 1 . 3 . 1116 . 1 1 5 CYS O O -1.212 -6.346 -0.973 . . . 1.0 . . . . . . . . . . . . A . 5 CYS O . . . . . . . . . c30642_6pv1 1 . 3 . 1117 . 1 1 5 CYS SG S 1.139 -3.975 -0.690 . . . 1.0 . . . . . . . . . . . . A . 5 CYS SG . . . . . . . . . c30642_6pv1 1 . 3 . 1118 . 1 1 6 THR C C 0.508 -7.467 -3.662 . . . 1.0 . . . . . . . . . . . . A . 6 THR C . . . . . . . . . c30642_6pv1 1 . 3 . 1119 . 1 1 6 THR CA C -0.976 -7.092 -3.620 . . . 1.0 . . . . . . . . . . . . A . 6 THR CA . . . . . . . . . c30642_6pv1 1 . 3 . 1120 . 1 1 6 THR CB C -1.615 -7.237 -5.014 . . . 1.0 . . . . . . . . . . . . A . 6 THR CB . . . . . . . . . c30642_6pv1 1 . 3 . 1121 . 1 1 6 THR CG2 C -1.871 -8.701 -5.354 . . . 1.0 . . . . . . . . . . . . A . 6 THR CG2 . . . . . . . . . c30642_6pv1 1 . 3 . 1122 . 1 1 6 THR H H -1.162 -4.996 -3.775 . . . 1.0 . . . . . . . . . . . . A . 6 THR H . . . . . . . . . c30642_6pv1 1 . 3 . 1123 . 1 1 6 THR HA H -1.485 -7.760 -2.939 . . . 1.0 . . . . . . . . . . . . A . 6 THR HA . . . . . . . . . c30642_6pv1 1 . 3 . 1124 . 1 1 6 THR HB H -0.945 -6.818 -5.751 . . . 1.0 . . . . . . . . . . . . A . 6 THR HB . . . . . . . . . c30642_6pv1 1 . 3 . 1125 . 1 1 6 THR HG1 H -2.976 -6.050 -4.200 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG1 . . . . . . . . . c30642_6pv1 1 . 3 . 1126 . 1 1 6 THR HG21 H -0.937 -9.243 -5.335 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG21 . . . . . . . . . c30642_6pv1 1 . 3 . 1127 . 1 1 6 THR HG22 H -2.307 -8.770 -6.339 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG22 . . . . . . . . . c30642_6pv1 1 . 3 . 1128 . 1 1 6 THR HG23 H -2.548 -9.127 -4.630 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG23 . . . . . . . . . c30642_6pv1 1 . 3 . 1129 . 1 1 6 THR N N -1.149 -5.739 -3.133 . . . 1.0 . . . . . . . . . . . . A . 6 THR N . . . . . . . . . c30642_6pv1 1 . 3 . 1130 . 1 1 6 THR O O 0.962 -8.190 -4.548 . . . 1.0 . . . . . . . . . . . . A . 6 THR O . . . . . . . . . c30642_6pv1 1 . 3 . 1131 . 1 1 6 THR OG1 O -2.861 -6.520 -5.039 . . . 1.0 . . . . . . . . . . . . A . 6 THR OG1 . . . . . . . . . c30642_6pv1 1 . 3 . 1132 . 1 1 7 TRP C C 2.764 -8.727 -1.993 . . . 1.0 . . . . . . . . . . . . A . 7 TRP C . . . . . . . . . c30642_6pv1 1 . 3 . 1133 . 1 1 7 TRP CA C 2.663 -7.320 -2.566 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CA . . . . . . . . . c30642_6pv1 1 . 3 . 1134 . 1 1 7 TRP CB C 3.390 -6.323 -1.663 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CB . . . . . . . . . c30642_6pv1 1 . 3 . 1135 . 1 1 7 TRP CD1 C 5.695 -7.225 -0.992 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD1 . . . . . . . . . c30642_6pv1 1 . 3 . 1136 . 1 1 7 TRP CD2 C 5.742 -5.660 -2.588 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD2 . . . . . . . . . c30642_6pv1 1 . 3 . 1137 . 1 1 7 TRP CE2 C 7.062 -6.062 -2.318 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE2 . . . . . . . . . c30642_6pv1 1 . 3 . 1138 . 1 1 7 TRP CE3 C 5.521 -4.680 -3.559 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE3 . . . . . . . . . c30642_6pv1 1 . 3 . 1139 . 1 1 7 TRP CG C 4.883 -6.417 -1.733 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CG . . . . . . . . . c30642_6pv1 1 . 3 . 1140 . 1 1 7 TRP CH2 C 7.911 -4.559 -3.931 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CH2 . . . . . . . . . c30642_6pv1 1 . 3 . 1141 . 1 1 7 TRP CZ2 C 8.156 -5.517 -2.984 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ2 . . . . . . . . . c30642_6pv1 1 . 3 . 1142 . 1 1 7 TRP CZ3 C 6.608 -4.140 -4.220 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ3 . . . . . . . . . c30642_6pv1 1 . 3 . 1143 . 1 1 7 TRP H H 0.869 -6.335 -2.057 . . . 1.0 . . . . . . . . . . . . A . 7 TRP H . . . . . . . . . c30642_6pv1 1 . 3 . 1144 . 1 1 7 TRP HA H 3.108 -7.304 -3.548 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HA . . . . . . . . . c30642_6pv1 1 . 3 . 1145 . 1 1 7 TRP HB2 H 3.109 -5.320 -1.943 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB2 . . . . . . . . . c30642_6pv1 1 . 3 . 1146 . 1 1 7 TRP HB3 H 3.095 -6.498 -0.643 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB3 . . . . . . . . . c30642_6pv1 1 . 3 . 1147 . 1 1 7 TRP HD1 H 5.341 -7.920 -0.248 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HD1 . . . . . . . . . c30642_6pv1 1 . 3 . 1148 . 1 1 7 TRP HE1 H 7.781 -7.487 -0.952 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE1 . . . . . . . . . c30642_6pv1 1 . 3 . 1149 . 1 1 7 TRP HE3 H 4.522 -4.346 -3.795 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE3 . . . . . . . . . c30642_6pv1 1 . 3 . 1150 . 1 1 7 TRP HH2 H 8.730 -4.109 -4.471 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HH2 . . . . . . . . . c30642_6pv1 1 . 3 . 1151 . 1 1 7 TRP HZ2 H 9.167 -5.829 -2.772 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ2 . . . . . . . . . c30642_6pv1 1 . 3 . 1152 . 1 1 7 TRP HZ3 H 6.458 -3.381 -4.972 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ3 . . . . . . . . . c30642_6pv1 1 . 3 . 1153 . 1 1 7 TRP N N 1.264 -6.960 -2.697 . . . 1.0 . . . . . . . . . . . . A . 7 TRP N . . . . . . . . . c30642_6pv1 1 . 3 . 1154 . 1 1 7 TRP NE1 N 7.007 -7.021 -1.341 . . . 1.0 . . . . . . . . . . . . A . 7 TRP NE1 . . . . . . . . . c30642_6pv1 1 . 3 . 1155 . 1 1 7 TRP O O 1.870 -9.168 -1.262 . . . 1.0 . . . . . . . . . . . . A . 7 TRP O . . . . . . . . . c30642_6pv1 1 . 3 . 1156 . 1 1 8 ABA C C 3.909 -10.948 -0.402 . . . 1.0 . . . . . . . . . . . . A . 8 AIB C . . . . . . . . . c30642_6pv1 1 . 3 . 1157 . 1 1 8 ABA CA C 4.070 -10.803 -1.928 . . . 1.0 . . . . . . . . . . . . A . 8 AIB CA . . . . . . . . . c30642_6pv1 1 . 3 . 1158 . 1 1 8 ABA H H 4.512 -8.975 -2.903 . . . 1.0 . . . . . . . . . . . . A . 8 AIB H . . . . . . . . . c30642_6pv1 1 . 3 . 1159 . 1 1 8 ABA N N 3.839 -9.416 -2.341 . . . 1.0 . . . . . . . . . . . . A . 8 AIB N . . . . . . . . . c30642_6pv1 1 . 3 . 1160 . 1 1 8 ABA O O 4.740 -10.459 0.369 . . . 1.0 . . . . . . . . . . . . A . 8 AIB O . . . . . . . . . c30642_6pv1 1 . 3 . 1161 . 1 1 9 GLY C C 2.194 -10.695 2.246 . . . 1.0 . . . . . . . . . . . . A . 9 GLY C . . . . . . . . . c30642_6pv1 1 . 3 . 1162 . 1 1 9 GLY CA C 2.627 -11.895 1.424 . . . 1.0 . . . . . . . . . . . . A . 9 GLY CA . . . . . . . . . c30642_6pv1 1 . 3 . 1163 . 1 1 9 GLY H H 2.160 -11.889 -0.634 . . . 1.0 . . . . . . . . . . . . A . 9 GLY H . . . . . . . . . c30642_6pv1 1 . 3 . 1164 . 1 1 9 GLY HA2 H 1.871 -12.661 1.508 . . . 1.0 . . . . . . . . . . . . A . 9 GLY HA2 . . . . . . . . . c30642_6pv1 1 . 3 . 1165 . 1 1 9 GLY HA3 H 3.551 -12.276 1.830 . . . 1.0 . . . . . . . . . . . . A . 9 GLY HA3 . . . . . . . . . c30642_6pv1 1 . 3 . 1166 . 1 1 9 GLY N N 2.828 -11.599 0.019 . . . 1.0 . . . . . . . . . . . . A . 9 GLY N . . . . . . . . . c30642_6pv1 1 . 3 . 1167 . 1 1 9 GLY O O 2.229 -10.742 3.476 . . . 1.0 . . . . . . . . . . . . A . 9 GLY O . . . . . . . . . c30642_6pv1 1 . 3 . 1168 . 1 1 10 CYS C C -0.147 -8.413 2.489 . . . 1.0 . . . . . . . . . . . . A . 10 CYS C . . . . . . . . . c30642_6pv1 1 . 3 . 1169 . 1 1 10 CYS CA C 1.371 -8.429 2.311 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CA . . . . . . . . . c30642_6pv1 1 . 3 . 1170 . 1 1 10 CYS CB C 1.853 -7.175 1.587 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CB . . . . . . . . . c30642_6pv1 1 . 3 . 1171 . 1 1 10 CYS H H 1.765 -9.623 0.609 . . . 1.0 . . . . . . . . . . . . A . 10 CYS H . . . . . . . . . c30642_6pv1 1 . 3 . 1172 . 1 1 10 CYS HA H 1.829 -8.463 3.286 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HA . . . . . . . . . c30642_6pv1 1 . 3 . 1173 . 1 1 10 CYS HB2 H 2.879 -7.319 1.288 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB2 . . . . . . . . . c30642_6pv1 1 . 3 . 1174 . 1 1 10 CYS HB3 H 1.247 -7.017 0.710 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB3 . . . . . . . . . c30642_6pv1 1 . 3 . 1175 . 1 1 10 CYS N N 1.786 -9.618 1.592 . . . 1.0 . . . . . . . . . . . . A . 10 CYS N . . . . . . . . . c30642_6pv1 1 . 3 . 1176 . 1 1 10 CYS O O -0.641 -8.659 3.592 . . . 1.0 . . . . . . . . . . . . A . 10 CYS O . . . . . . . . . c30642_6pv1 1 . 3 . 1177 . 1 1 10 CYS SG S 1.780 -5.675 2.589 . . . 1.0 . . . . . . . . . . . . A . 10 CYS SG . . . . . . . . . c30642_6pv1 1 . 3 . 1178 . 1 1 11 GLY C C -2.880 -7.121 2.462 . . . 1.0 . . . . . . . . . . . . A . 11 GLY C . . . . . . . . . c30642_6pv1 1 . 3 . 1179 . 1 1 11 GLY CA C -2.335 -8.146 1.487 . . . 1.0 . . . . . . . . . . . . A . 11 GLY CA . . . . . . . . . c30642_6pv1 1 . 3 . 1180 . 1 1 11 GLY H H -0.442 -7.935 0.563 . . . 1.0 . . . . . . . . . . . . A . 11 GLY H . . . . . . . . . c30642_6pv1 1 . 3 . 1181 . 1 1 11 GLY HA2 H -2.731 -7.939 0.506 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA2 . . . . . . . . . c30642_6pv1 1 . 3 . 1182 . 1 1 11 GLY HA3 H -2.663 -9.128 1.794 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA3 . . . . . . . . . c30642_6pv1 1 . 3 . 1183 . 1 1 11 GLY N N -0.883 -8.140 1.415 . . . 1.0 . . . . . . . . . . . . A . 11 GLY N . . . . . . . . . c30642_6pv1 1 . 3 . 1184 . 1 1 11 GLY O O -3.879 -7.361 3.141 . . . 1.0 . . . . . . . . . . . . A . 11 GLY O . . . . . . . . . c30642_6pv1 1 . 3 . 1185 . 1 1 12 LYS C C -3.712 -4.070 2.697 . . . 1.0 . . . . . . . . . . . . A . 12 LYS C . . . . . . . . . c30642_6pv1 1 . 3 . 1186 . 1 1 12 LYS CA C -2.644 -4.897 3.410 . . . 1.0 . . . . . . . . . . . . A . 12 LYS CA . . . . . . . . . c30642_6pv1 1 . 3 . 1187 . 1 1 12 LYS CB C -1.441 -4.023 3.775 . . . 1.0 . . . . . . . . . . . . A . 12 LYS CB . . . . . . . . . c30642_6pv1 1 . 3 . 1188 . 1 1 12 LYS CD C -1.629 -4.091 6.282 . . . 1.0 . . . . . . . . . . . . A . 12 LYS CD . . . . . . . . . c30642_6pv1 1 . 3 . 1189 . 1 1 12 LYS CE C -1.466 -3.270 7.551 . . . 1.0 . . . . . . . . . . . . A . 12 LYS CE . . . . . . . . . c30642_6pv1 1 . 3 . 1190 . 1 1 12 LYS CG C -1.616 -3.208 5.044 . . . 1.0 . . . . . . . . . . . . A . 12 LYS CG . . . . . . . . . c30642_6pv1 1 . 3 . 1191 . 1 1 12 LYS H H -1.414 -5.860 1.990 . . . 1.0 . . . . . . . . . . . . A . 12 LYS H . . . . . . . . . c30642_6pv1 1 . 3 . 1192 . 1 1 12 LYS HA H -3.066 -5.328 4.305 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HA . . . . . . . . . c30642_6pv1 1 . 3 . 1193 . 1 1 12 LYS HB2 H -0.577 -4.658 3.904 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HB2 . . . . . . . . . c30642_6pv1 1 . 3 . 1194 . 1 1 12 LYS HB3 H -1.251 -3.338 2.963 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HB3 . . . . . . . . . c30642_6pv1 1 . 3 . 1195 . 1 1 12 LYS HD2 H -2.568 -4.621 6.327 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HD2 . . . . . . . . . c30642_6pv1 1 . 3 . 1196 . 1 1 12 LYS HD3 H -0.816 -4.799 6.215 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HD3 . . . . . . . . . c30642_6pv1 1 . 3 . 1197 . 1 1 12 LYS HE2 H -1.531 -3.932 8.403 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HE2 . . . . . . . . . c30642_6pv1 1 . 3 . 1198 . 1 1 12 LYS HE3 H -0.493 -2.801 7.536 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HE3 . . . . . . . . . c30642_6pv1 1 . 3 . 1199 . 1 1 12 LYS HG2 H -0.802 -2.506 5.125 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HG2 . . . . . . . . . c30642_6pv1 1 . 3 . 1200 . 1 1 12 LYS HG3 H -2.552 -2.672 4.985 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HG3 . . . . . . . . . c30642_6pv1 1 . 3 . 1201 . 1 1 12 LYS HZ1 H -3.451 -2.652 7.736 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HZ1 . . . . . . . . . c30642_6pv1 1 . 3 . 1202 . 1 1 12 LYS HZ2 H -2.481 -1.581 6.862 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HZ2 . . . . . . . . . c30642_6pv1 1 . 3 . 1203 . 1 1 12 LYS HZ3 H -2.346 -1.659 8.541 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HZ3 . . . . . . . . . c30642_6pv1 1 . 3 . 1204 . 1 1 12 LYS N N -2.216 -5.980 2.538 . . . 1.0 . . . . . . . . . . . . A . 12 LYS N . . . . . . . . . c30642_6pv1 1 . 3 . 1205 . 1 1 12 LYS NZ N -2.508 -2.217 7.681 . . . 1.0 . . . . . . . . . . . . A . 12 LYS NZ . . . . . . . . . c30642_6pv1 1 . 3 . 1206 . 1 1 12 LYS O O -3.461 -3.522 1.625 . . . 1.0 . . . . . . . . . . . . A . 12 LYS O . . . . . . . . . c30642_6pv1 1 . 3 . 1207 . 1 1 13 ARG C C -6.231 -1.922 3.187 . . . 1.0 . . . . . . . . . . . . A . 13 ARG C . . . . . . . . . c30642_6pv1 1 . 3 . 1208 . 1 1 13 ARG CA C -6.020 -3.319 2.624 . . . 1.0 . . . . . . . . . . . . A . 13 ARG CA . . . . . . . . . c30642_6pv1 1 . 3 . 1209 . 1 1 13 ARG CB C -7.306 -4.131 2.763 . . . 1.0 . . . . . . . . . . . . A . 13 ARG CB . . . . . . . . . c30642_6pv1 1 . 3 . 1210 . 1 1 13 ARG CD C -8.576 -6.214 2.173 . . . 1.0 . . . . . . . . . . . . A . 13 ARG CD . . . . . . . . . c30642_6pv1 1 . 3 . 1211 . 1 1 13 ARG CG C -7.252 -5.479 2.067 . . . 1.0 . . . . . . . . . . . . A . 13 ARG CG . . . . . . . . . c30642_6pv1 1 . 3 . 1212 . 1 1 13 ARG CZ C -10.105 -7.008 3.937 . . . 1.0 . . . . . . . . . . . . A . 13 ARG CZ . . . . . . . . . c30642_6pv1 1 . 3 . 1213 . 1 1 13 ARG H H -5.036 -4.409 4.155 . . . 1.0 . . . . . . . . . . . . A . 13 ARG H . . . . . . . . . c30642_6pv1 1 . 3 . 1214 . 1 1 13 ARG HA H -5.778 -3.230 1.575 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HA . . . . . . . . . c30642_6pv1 1 . 3 . 1215 . 1 1 13 ARG HB2 H -7.500 -4.299 3.813 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HB2 . . . . . . . . . c30642_6pv1 1 . 3 . 1216 . 1 1 13 ARG HB3 H -8.124 -3.566 2.342 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HB3 . . . . . . . . . c30642_6pv1 1 . 3 . 1217 . 1 1 13 ARG HD2 H -9.356 -5.580 1.777 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HD2 . . . . . . . . . c30642_6pv1 1 . 3 . 1218 . 1 1 13 ARG HD3 H -8.519 -7.118 1.585 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HD3 . . . . . . . . . c30642_6pv1 1 . 3 . 1219 . 1 1 13 ARG HE H -8.195 -6.474 4.227 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HE . . . . . . . . . c30642_6pv1 1 . 3 . 1220 . 1 1 13 ARG HG2 H -7.018 -5.325 1.025 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HG2 . . . . . . . . . c30642_6pv1 1 . 3 . 1221 . 1 1 13 ARG HG3 H -6.479 -6.078 2.525 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HG3 . . . . . . . . . c30642_6pv1 1 . 3 . 1222 . 1 1 13 ARG HH11 H -11.991 -7.457 3.339 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HH11 . . . . . . . . . c30642_6pv1 1 . 3 . 1223 . 1 1 13 ARG HH12 H -10.936 -6.878 2.090 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HH12 . . . . . . . . . c30642_6pv1 1 . 3 . 1224 . 1 1 13 ARG HH21 H -9.586 -7.249 5.885 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HH21 . . . . . . . . . c30642_6pv1 1 . 3 . 1225 . 1 1 13 ARG HH22 H -11.220 -7.679 5.491 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HH22 . . . . . . . . . c30642_6pv1 1 . 3 . 1226 . 1 1 13 ARG N N -4.903 -4.001 3.273 . . . 1.0 . . . . . . . . . . . . A . 13 ARG N . . . . . . . . . c30642_6pv1 1 . 3 . 1227 . 1 1 13 ARG NE N -8.908 -6.564 3.554 . . . 1.0 . . . . . . . . . . . . A . 13 ARG NE . . . . . . . . . c30642_6pv1 1 . 3 . 1228 . 1 1 13 ARG NH1 N -11.089 -7.122 3.052 . . . 1.0 . . . . . . . . . . . . A . 13 ARG NH1 . . . . . . . . . c30642_6pv1 1 . 3 . 1229 . 1 1 13 ARG NH2 N -10.322 -7.334 5.206 . . . 1.0 . . . . . . . . . . . . A . 13 ARG NH2 . . . . . . . . . c30642_6pv1 1 . 3 . 1230 . 1 1 13 ARG O O -6.094 -1.694 4.391 . . . 1.0 . . . . . . . . . . . . A . 13 ARG O . . . . . . . . . c30642_6pv1 1 . 3 . 1231 . 1 1 14 PHE C C -8.081 0.890 2.033 . . . 1.0 . . . . . . . . . . . . A . 14 PHE C . . . . . . . . . c30642_6pv1 1 . 3 . 1232 . 1 1 14 PHE CA C -6.800 0.388 2.680 . . . 1.0 . . . . . . . . . . . . A . 14 PHE CA . . . . . . . . . c30642_6pv1 1 . 3 . 1233 . 1 1 14 PHE CB C -5.625 1.262 2.243 . . . 1.0 . . . . . . . . . . . . A . 14 PHE CB . . . . . . . . . c30642_6pv1 1 . 3 . 1234 . 1 1 14 PHE CD1 C -3.842 1.006 3.972 . . . 1.0 . . . . . . . . . . . . A . 14 PHE CD1 . . . . . . . . . c30642_6pv1 1 . 3 . 1235 . 1 1 14 PHE CD2 C -3.531 -0.047 1.860 . . . 1.0 . . . . . . . . . . . . A . 14 PHE CD2 . . . . . . . . . c30642_6pv1 1 . 3 . 1236 . 1 1 14 PHE CE1 C -2.631 0.514 4.400 . . . 1.0 . . . . . . . . . . . . A . 14 PHE CE1 . . . . . . . . . c30642_6pv1 1 . 3 . 1237 . 1 1 14 PHE CE2 C -2.317 -0.542 2.282 . . . 1.0 . . . . . . . . . . . . A . 14 PHE CE2 . . . . . . . . . c30642_6pv1 1 . 3 . 1238 . 1 1 14 PHE CG C -4.304 0.734 2.701 . . . 1.0 . . . . . . . . . . . . A . 14 PHE CG . . . . . . . . . c30642_6pv1 1 . 3 . 1239 . 1 1 14 PHE CZ C -1.868 -0.260 3.554 . . . 1.0 . . . . . . . . . . . . A . 14 PHE CZ . . . . . . . . . c30642_6pv1 1 . 3 . 1240 . 1 1 14 PHE H H -6.621 -1.242 1.354 . . . 1.0 . . . . . . . . . . . . A . 14 PHE H . . . . . . . . . c30642_6pv1 1 . 3 . 1241 . 1 1 14 PHE HA H -6.899 0.433 3.752 . . . 1.0 . . . . . . . . . . . . A . 14 PHE HA . . . . . . . . . c30642_6pv1 1 . 3 . 1242 . 1 1 14 PHE HB2 H -5.607 1.322 1.166 . . . 1.0 . . . . . . . . . . . . A . 14 PHE HB2 . . . . . . . . . c30642_6pv1 1 . 3 . 1243 . 1 1 14 PHE HB3 H -5.748 2.251 2.653 . . . 1.0 . . . . . . . . . . . . A . 14 PHE HB3 . . . . . . . . . c30642_6pv1 1 . 3 . 1244 . 1 1 14 PHE HD1 H -4.442 1.614 4.633 . . . 1.0 . . . . . . . . . . . . A . 14 PHE HD1 . . . . . . . . . c30642_6pv1 1 . 3 . 1245 . 1 1 14 PHE HD2 H -3.888 -0.271 0.866 . . . 1.0 . . . . . . . . . . . . A . 14 PHE HD2 . . . . . . . . . c30642_6pv1 1 . 3 . 1246 . 1 1 14 PHE HE1 H -2.280 0.731 5.395 . . . 1.0 . . . . . . . . . . . . A . 14 PHE HE1 . . . . . . . . . c30642_6pv1 1 . 3 . 1247 . 1 1 14 PHE HE2 H -1.718 -1.147 1.618 . . . 1.0 . . . . . . . . . . . . A . 14 PHE HE2 . . . . . . . . . c30642_6pv1 1 . 3 . 1248 . 1 1 14 PHE HZ H -0.916 -0.647 3.888 . . . 1.0 . . . . . . . . . . . . A . 14 PHE HZ . . . . . . . . . c30642_6pv1 1 . 3 . 1249 . 1 1 14 PHE N N -6.557 -0.993 2.303 . . . 1.0 . . . . . . . . . . . . A . 14 PHE N . . . . . . . . . c30642_6pv1 1 . 3 . 1250 . 1 1 14 PHE O O -8.508 0.372 1.001 . . . 1.0 . . . . . . . . . . . . A . 14 PHE O . . . . . . . . . c30642_6pv1 1 . 3 . 1251 . 1 1 15 THR C C -9.590 3.857 1.482 . . . 1.0 . . . . . . . . . . . . A . 15 THR C . . . . . . . . . c30642_6pv1 1 . 3 . 1252 . 1 1 15 THR CA C -9.899 2.484 2.085 . . . 1.0 . . . . . . . . . . . . A . 15 THR CA . . . . . . . . . c30642_6pv1 1 . 3 . 1253 . 1 1 15 THR CB C -11.009 2.599 3.156 . . . 1.0 . . . . . . . . . . . . A . 15 THR CB . . . . . . . . . c30642_6pv1 1 . 3 . 1254 . 1 1 15 THR CG2 C -10.612 3.569 4.257 . . . 1.0 . . . . . . . . . . . . A . 15 THR CG2 . . . . . . . . . c30642_6pv1 1 . 3 . 1255 . 1 1 15 THR H H -8.334 2.237 3.487 . . . 1.0 . . . . . . . . . . . . A . 15 THR H . . . . . . . . . c30642_6pv1 1 . 3 . 1256 . 1 1 15 THR HA H -10.253 1.833 1.301 . . . 1.0 . . . . . . . . . . . . A . 15 THR HA . . . . . . . . . c30642_6pv1 1 . 3 . 1257 . 1 1 15 THR HB H -11.154 1.623 3.598 . . . 1.0 . . . . . . . . . . . . A . 15 THR HB . . . . . . . . . c30642_6pv1 1 . 3 . 1258 . 1 1 15 THR HG1 H -12.086 3.818 2.028 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG1 . . . . . . . . . c30642_6pv1 1 . 3 . 1259 . 1 1 15 THR HG21 H -10.399 4.535 3.825 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG21 . . . . . . . . . c30642_6pv1 1 . 3 . 1260 . 1 1 15 THR HG22 H -9.733 3.199 4.763 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG22 . . . . . . . . . c30642_6pv1 1 . 3 . 1261 . 1 1 15 THR HG23 H -11.422 3.662 4.962 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG23 . . . . . . . . . c30642_6pv1 1 . 3 . 1262 . 1 1 15 THR N N -8.694 1.893 2.640 . . . 1.0 . . . . . . . . . . . . A . 15 THR N . . . . . . . . . c30642_6pv1 1 . 3 . 1263 . 1 1 15 THR O O -10.496 4.620 1.142 . . . 1.0 . . . . . . . . . . . . A . 15 THR O . . . . . . . . . c30642_6pv1 1 . 3 . 1264 . 1 1 15 THR OG1 O -12.245 3.024 2.560 . . . 1.0 . . . . . . . . . . . . A . 15 THR OG1 . . . . . . . . . c30642_6pv1 1 . 3 . 1265 . 1 1 16 ARG C C -6.725 5.136 -0.240 . . . 1.0 . . . . . . . . . . . . A . 16 ARG C . . . . . . . . . c30642_6pv1 1 . 3 . 1266 . 1 1 16 ARG CA C -7.857 5.410 0.747 . . . 1.0 . . . . . . . . . . . . A . 16 ARG CA . . . . . . . . . c30642_6pv1 1 . 3 . 1267 . 1 1 16 ARG CB C -7.383 6.399 1.819 . . . 1.0 . . . . . . . . . . . . A . 16 ARG CB . . . . . . . . . c30642_6pv1 1 . 3 . 1268 . 1 1 16 ARG CD C -8.033 7.998 3.654 . . . 1.0 . . . . . . . . . . . . A . 16 ARG CD . . . . . . . . . c30642_6pv1 1 . 3 . 1269 . 1 1 16 ARG CG C -8.460 6.802 2.814 . . . 1.0 . . . . . . . . . . . . A . 16 ARG CG . . . . . . . . . c30642_6pv1 1 . 3 . 1270 . 1 1 16 ARG CZ C -6.055 8.720 4.940 . . . 1.0 . . . . . . . . . . . . A . 16 ARG CZ . . . . . . . . . c30642_6pv1 1 . 3 . 1271 . 1 1 16 ARG H H -7.626 3.518 1.655 . . . 1.0 . . . . . . . . . . . . A . 16 ARG H . . . . . . . . . c30642_6pv1 1 . 3 . 1272 . 1 1 16 ARG HA H -8.694 5.835 0.214 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HA . . . . . . . . . c30642_6pv1 1 . 3 . 1273 . 1 1 16 ARG HB2 H -6.573 5.948 2.369 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HB2 . . . . . . . . . c30642_6pv1 1 . 3 . 1274 . 1 1 16 ARG HB3 H -7.021 7.292 1.332 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HB3 . . . . . . . . . c30642_6pv1 1 . 3 . 1275 . 1 1 16 ARG HD2 H -7.889 8.846 3.002 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HD2 . . . . . . . . . c30642_6pv1 1 . 3 . 1276 . 1 1 16 ARG HD3 H -8.821 8.221 4.359 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HD3 . . . . . . . . . c30642_6pv1 1 . 3 . 1277 . 1 1 16 ARG HE H -6.505 6.819 4.497 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HE . . . . . . . . . c30642_6pv1 1 . 3 . 1278 . 1 1 16 ARG HG2 H -9.358 7.059 2.274 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HG2 . . . . . . . . . c30642_6pv1 1 . 3 . 1279 . 1 1 16 ARG HG3 H -8.660 5.967 3.470 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HG3 . . . . . . . . . c30642_6pv1 1 . 3 . 1280 . 1 1 16 ARG HH11 H -5.875 10.719 5.239 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HH11 . . . . . . . . . c30642_6pv1 1 . 3 . 1281 . 1 1 16 ARG HH12 H -7.275 10.225 4.344 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HH12 . . . . . . . . . c30642_6pv1 1 . 3 . 1282 . 1 1 16 ARG HH21 H -4.654 7.457 5.706 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HH21 . . . . . . . . . c30642_6pv1 1 . 3 . 1283 . 1 1 16 ARG HH22 H -4.397 9.151 6.021 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HH22 . . . . . . . . . c30642_6pv1 1 . 3 . 1284 . 1 1 16 ARG N N -8.300 4.159 1.350 . . . 1.0 . . . . . . . . . . . . A . 16 ARG N . . . . . . . . . c30642_6pv1 1 . 3 . 1285 . 1 1 16 ARG NE N -6.795 7.753 4.396 . . . 1.0 . . . . . . . . . . . . A . 16 ARG NE . . . . . . . . . c30642_6pv1 1 . 3 . 1286 . 1 1 16 ARG NH1 N -6.431 9.989 4.830 . . . 1.0 . . . . . . . . . . . . A . 16 ARG NH1 . . . . . . . . . c30642_6pv1 1 . 3 . 1287 . 1 1 16 ARG NH2 N -4.947 8.421 5.607 . . . 1.0 . . . . . . . . . . . . A . 16 ARG NH2 . . . . . . . . . c30642_6pv1 1 . 3 . 1288 . 1 1 16 ARG O O -5.788 4.391 0.061 . . . 1.0 . . . . . . . . . . . . A . 16 ARG O . . . . . . . . . c30642_6pv1 1 . 3 . 1289 . 1 1 17 SER C C -4.482 6.032 -2.113 . . . 1.0 . . . . . . . . . . . . A . 17 SER C . . . . . . . . . c30642_6pv1 1 . 3 . 1290 . 1 1 17 SER CA C -5.870 5.532 -2.496 . . . 1.0 . . . . . . . . . . . . A . 17 SER CA . . . . . . . . . c30642_6pv1 1 . 3 . 1291 . 1 1 17 SER CB C -6.347 6.263 -3.751 . . . 1.0 . . . . . . . . . . . . A . 17 SER CB . . . . . . . . . c30642_6pv1 1 . 3 . 1292 . 1 1 17 SER H H -7.572 6.368 -1.569 . . . 1.0 . . . . . . . . . . . . A . 17 SER H . . . . . . . . . c30642_6pv1 1 . 3 . 1293 . 1 1 17 SER HA H -5.821 4.473 -2.698 . . . 1.0 . . . . . . . . . . . . A . 17 SER HA . . . . . . . . . c30642_6pv1 1 . 3 . 1294 . 1 1 17 SER HB2 H -6.099 7.310 -3.674 . . . 1.0 . . . . . . . . . . . . A . 17 SER HB2 . . . . . . . . . c30642_6pv1 1 . 3 . 1295 . 1 1 17 SER HB3 H -5.861 5.840 -4.616 . . . 1.0 . . . . . . . . . . . . A . 17 SER HB3 . . . . . . . . . c30642_6pv1 1 . 3 . 1296 . 1 1 17 SER HG H -7.933 5.594 -4.688 . . . 1.0 . . . . . . . . . . . . A . 17 SER HG . . . . . . . . . c30642_6pv1 1 . 3 . 1297 . 1 1 17 SER N N -6.824 5.748 -1.416 . . . 1.0 . . . . . . . . . . . . A . 17 SER N . . . . . . . . . c30642_6pv1 1 . 3 . 1298 . 1 1 17 SER O O -3.474 5.373 -2.381 . . . 1.0 . . . . . . . . . . . . A . 17 SER O . . . . . . . . . c30642_6pv1 1 . 3 . 1299 . 1 1 17 SER OG O -7.750 6.136 -3.911 . . . 1.0 . . . . . . . . . . . . A . 17 SER OG . . . . . . . . . c30642_6pv1 1 . 3 . 1300 . 1 1 18 ASP C C -2.560 7.010 0.079 . . . 1.0 . . . . . . . . . . . . A . 18 ASP C . . . . . . . . . c30642_6pv1 1 . 3 . 1301 . 1 1 18 ASP CA C -3.183 7.802 -1.061 . . . 1.0 . . . . . . . . . . . . A . 18 ASP CA . . . . . . . . . c30642_6pv1 1 . 3 . 1302 . 1 1 18 ASP CB C -3.400 9.255 -0.632 . . . 1.0 . . . . . . . . . . . . A . 18 ASP CB . . . . . . . . . c30642_6pv1 1 . 3 . 1303 . 1 1 18 ASP CG C -4.337 9.382 0.553 . . . 1.0 . . . . . . . . . . . . A . 18 ASP CG . . . . . . . . . c30642_6pv1 1 . 3 . 1304 . 1 1 18 ASP H H -5.284 7.659 -1.279 . . . 1.0 . . . . . . . . . . . . A . 18 ASP H . . . . . . . . . c30642_6pv1 1 . 3 . 1305 . 1 1 18 ASP HA H -2.510 7.781 -1.904 . . . 1.0 . . . . . . . . . . . . A . 18 ASP HA . . . . . . . . . c30642_6pv1 1 . 3 . 1306 . 1 1 18 ASP HB2 H -2.450 9.686 -0.360 . . . 1.0 . . . . . . . . . . . . A . 18 ASP HB2 . . . . . . . . . c30642_6pv1 1 . 3 . 1307 . 1 1 18 ASP HB3 H -3.818 9.809 -1.460 . . . 1.0 . . . . . . . . . . . . A . 18 ASP HB3 . . . . . . . . . c30642_6pv1 1 . 3 . 1308 . 1 1 18 ASP N N -4.441 7.195 -1.477 . . . 1.0 . . . . . . . . . . . . A . 18 ASP N . . . . . . . . . c30642_6pv1 1 . 3 . 1309 . 1 1 18 ASP O O -1.340 6.972 0.230 . . . 1.0 . . . . . . . . . . . . A . 18 ASP O . . . . . . . . . c30642_6pv1 1 . 3 . 1310 . 1 1 18 ASP OD1 O -5.563 9.252 0.363 . . . 1.0 . . . . . . . . . . . . A . 18 ASP OD1 . . . . . . . . . c30642_6pv1 1 . 3 . 1311 . 1 1 18 ASP OD2 O -3.848 9.612 1.679 . . . 1.0 . . . . . . . . . . . . A . 18 ASP OD2 . . . . . . . . . c30642_6pv1 1 . 3 . 1312 . 1 1 19 GLU C C -2.170 4.345 1.439 . . . 1.0 . . . . . . . . . . . . A . 19 GLU C . . . . . . . . . c30642_6pv1 1 . 3 . 1313 . 1 1 19 GLU CA C -2.950 5.541 1.974 . . . 1.0 . . . . . . . . . . . . A . 19 GLU CA . . . . . . . . . c30642_6pv1 1 . 3 . 1314 . 1 1 19 GLU CB C -4.141 5.066 2.807 . . . 1.0 . . . . . . . . . . . . A . 19 GLU CB . . . . . . . . . c30642_6pv1 1 . 3 . 1315 . 1 1 19 GLU CD C -3.153 5.440 5.097 . . . 1.0 . . . . . . . . . . . . A . 19 GLU CD . . . . . . . . . c30642_6pv1 1 . 3 . 1316 . 1 1 19 GLU CG C -3.752 4.439 4.133 . . . 1.0 . . . . . . . . . . . . A . 19 GLU CG . . . . . . . . . c30642_6pv1 1 . 3 . 1317 . 1 1 19 GLU H H -4.366 6.456 0.703 . . . 1.0 . . . . . . . . . . . . A . 19 GLU H . . . . . . . . . c30642_6pv1 1 . 3 . 1318 . 1 1 19 GLU HA H -2.298 6.139 2.591 . . . 1.0 . . . . . . . . . . . . A . 19 GLU HA . . . . . . . . . c30642_6pv1 1 . 3 . 1319 . 1 1 19 GLU HB2 H -4.782 5.907 3.010 . . . 1.0 . . . . . . . . . . . . A . 19 GLU HB2 . . . . . . . . . c30642_6pv1 1 . 3 . 1320 . 1 1 19 GLU HB3 H -4.691 4.334 2.238 . . . 1.0 . . . . . . . . . . . . A . 19 GLU HB3 . . . . . . . . . c30642_6pv1 1 . 3 . 1321 . 1 1 19 GLU HG2 H -4.634 4.014 4.584 . . . 1.0 . . . . . . . . . . . . A . 19 GLU HG2 . . . . . . . . . c30642_6pv1 1 . 3 . 1322 . 1 1 19 GLU HG3 H -3.029 3.660 3.947 . . . 1.0 . . . . . . . . . . . . A . 19 GLU HG3 . . . . . . . . . c30642_6pv1 1 . 3 . 1323 . 1 1 19 GLU N N -3.408 6.366 0.868 . . . 1.0 . . . . . . . . . . . . A . 19 GLU N . . . . . . . . . c30642_6pv1 1 . 3 . 1324 . 1 1 19 GLU O O -1.108 3.998 1.958 . . . 1.0 . . . . . . . . . . . . A . 19 GLU O . . . . . . . . . c30642_6pv1 1 . 3 . 1325 . 1 1 19 GLU OE1 O -3.900 6.005 5.919 . . . 1.0 . . . . . . . . . . . . A . 19 GLU OE1 . . . . . . . . . c30642_6pv1 1 . 3 . 1326 . 1 1 19 GLU OE2 O -1.926 5.661 5.042 . . . 1.0 . . . . . . . . . . . . A . 19 GLU OE2 . . . . . . . . . c30642_6pv1 1 . 3 . 1327 . 1 1 20 LEU C C -0.714 3.075 -0.910 . . . 1.0 . . . . . . . . . . . . A . 20 LEU C . . . . . . . . . c30642_6pv1 1 . 3 . 1328 . 1 1 20 LEU CA C -2.028 2.620 -0.278 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CA . . . . . . . . . c30642_6pv1 1 . 3 . 1329 . 1 1 20 LEU CB C -2.944 2.004 -1.341 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CB . . . . . . . . . c30642_6pv1 1 . 3 . 1330 . 1 1 20 LEU CD1 C -1.729 -0.196 -1.442 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CD1 . . . . . . . . . c30642_6pv1 1 . 3 . 1331 . 1 1 20 LEU CD2 C -3.281 0.449 -3.283 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CD2 . . . . . . . . . c30642_6pv1 1 . 3 . 1332 . 1 1 20 LEU CG C -2.287 0.961 -2.253 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CG . . . . . . . . . c30642_6pv1 1 . 3 . 1333 . 1 1 20 LEU H H -3.577 4.022 0.054 . . . 1.0 . . . . . . . . . . . . A . 20 LEU H . . . . . . . . . c30642_6pv1 1 . 3 . 1334 . 1 1 20 LEU HA H -1.807 1.873 0.470 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HA . . . . . . . . . c30642_6pv1 1 . 3 . 1335 . 1 1 20 LEU HB2 H -3.777 1.536 -0.836 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HB2 . . . . . . . . . c30642_6pv1 1 . 3 . 1336 . 1 1 20 LEU HB3 H -3.325 2.801 -1.960 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HB3 . . . . . . . . . c30642_6pv1 1 . 3 . 1337 . 1 1 20 LEU HD11 H -2.528 -0.664 -0.888 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD11 . . . . . . . . . c30642_6pv1 1 . 3 . 1338 . 1 1 20 LEU HD12 H -0.981 0.172 -0.757 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD12 . . . . . . . . . c30642_6pv1 1 . 3 . 1339 . 1 1 20 LEU HD13 H -1.282 -0.919 -2.108 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD13 . . . . . . . . . c30642_6pv1 1 . 3 . 1340 . 1 1 20 LEU HD21 H -3.712 1.285 -3.816 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD21 . . . . . . . . . c30642_6pv1 1 . 3 . 1341 . 1 1 20 LEU HD22 H -4.063 -0.106 -2.786 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD22 . . . . . . . . . c30642_6pv1 1 . 3 . 1342 . 1 1 20 LEU HD23 H -2.772 -0.197 -3.982 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD23 . . . . . . . . . c30642_6pv1 1 . 3 . 1343 . 1 1 20 LEU HG H -1.465 1.423 -2.780 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HG . . . . . . . . . c30642_6pv1 1 . 3 . 1344 . 1 1 20 LEU N N -2.700 3.730 0.386 . . . 1.0 . . . . . . . . . . . . A . 20 LEU N . . . . . . . . . c30642_6pv1 1 . 3 . 1345 . 1 1 20 LEU O O 0.305 2.397 -0.792 . . . 1.0 . . . . . . . . . . . . A . 20 LEU O . . . . . . . . . c30642_6pv1 1 . 3 . 1346 . 1 1 21 GLN C C 1.542 5.043 -1.149 . . . 1.0 . . . . . . . . . . . . A . 21 GLN C . . . . . . . . . c30642_6pv1 1 . 3 . 1347 . 1 1 21 GLN CA C 0.468 4.765 -2.201 . . . 1.0 . . . . . . . . . . . . A . 21 GLN CA . . . . . . . . . c30642_6pv1 1 . 3 . 1348 . 1 1 21 GLN CB C 0.142 6.039 -2.986 . . . 1.0 . . . . . . . . . . . . A . 21 GLN CB . . . . . . . . . c30642_6pv1 1 . 3 . 1349 . 1 1 21 GLN CD C -0.031 5.070 -5.330 . . . 1.0 . . . . . . . . . . . . A . 21 GLN CD . . . . . . . . . c30642_6pv1 1 . 3 . 1350 . 1 1 21 GLN CG C -0.743 5.798 -4.202 . . . 1.0 . . . . . . . . . . . . A . 21 GLN CG . . . . . . . . . c30642_6pv1 1 . 3 . 1351 . 1 1 21 GLN H H -1.587 4.719 -1.650 . . . 1.0 . . . . . . . . . . . . A . 21 GLN H . . . . . . . . . c30642_6pv1 1 . 3 . 1352 . 1 1 21 GLN HA H 0.841 4.018 -2.883 . . . 1.0 . . . . . . . . . . . . A . 21 GLN HA . . . . . . . . . c30642_6pv1 1 . 3 . 1353 . 1 1 21 GLN HB2 H -0.363 6.732 -2.330 . . . 1.0 . . . . . . . . . . . . A . 21 GLN HB2 . . . . . . . . . c30642_6pv1 1 . 3 . 1354 . 1 1 21 GLN HB3 H 1.067 6.484 -3.324 . . . 1.0 . . . . . . . . . . . . A . 21 GLN HB3 . . . . . . . . . c30642_6pv1 1 . 3 . 1355 . 1 1 21 GLN HE21 H -1.228 5.928 -6.662 . . . 1.0 . . . . . . . . . . . . A . 21 GLN HE21 . . . . . . . . . c30642_6pv1 1 . 3 . 1356 . 1 1 21 GLN HE22 H -0.035 4.852 -7.302 . . . 1.0 . . . . . . . . . . . . A . 21 GLN HE22 . . . . . . . . . c30642_6pv1 1 . 3 . 1357 . 1 1 21 GLN HG2 H -1.594 5.208 -3.900 . . . 1.0 . . . . . . . . . . . . A . 21 GLN HG2 . . . . . . . . . c30642_6pv1 1 . 3 . 1358 . 1 1 21 GLN HG3 H -1.086 6.754 -4.572 . . . 1.0 . . . . . . . . . . . . A . 21 GLN HG3 . . . . . . . . . c30642_6pv1 1 . 3 . 1359 . 1 1 21 GLN N N -0.740 4.225 -1.575 . . . 1.0 . . . . . . . . . . . . A . 21 GLN N . . . . . . . . . c30642_6pv1 1 . 3 . 1360 . 1 1 21 GLN NE2 N -0.475 5.306 -6.553 . . . 1.0 . . . . . . . . . . . . A . 21 GLN NE2 . . . . . . . . . c30642_6pv1 1 . 3 . 1361 . 1 1 21 GLN O O 2.714 4.694 -1.327 . . . 1.0 . . . . . . . . . . . . A . 21 GLN O . . . . . . . . . c30642_6pv1 1 . 3 . 1362 . 1 1 21 GLN OE1 O 0.901 4.294 -5.107 . . . 1.0 . . . . . . . . . . . . A . 21 GLN OE1 . . . . . . . . . c30642_6pv1 1 . 3 . 1363 . 1 1 22 ARG C C 2.567 4.590 1.615 . . . 1.0 . . . . . . . . . . . . A . 22 ARG C . . . . . . . . . c30642_6pv1 1 . 3 . 1364 . 1 1 22 ARG CA C 2.011 5.904 1.079 . . . 1.0 . . . . . . . . . . . . A . 22 ARG CA . . . . . . . . . c30642_6pv1 1 . 3 . 1365 . 1 1 22 ARG CB C 1.254 6.648 2.178 . . . 1.0 . . . . . . . . . . . . A . 22 ARG CB . . . . . . . . . c30642_6pv1 1 . 3 . 1366 . 1 1 22 ARG CD C 1.236 7.570 4.506 . . . 1.0 . . . . . . . . . . . . A . 22 ARG CD . . . . . . . . . c30642_6pv1 1 . 3 . 1367 . 1 1 22 ARG CG C 2.077 6.910 3.427 . . . 1.0 . . . . . . . . . . . . A . 22 ARG CG . . . . . . . . . c30642_6pv1 1 . 3 . 1368 . 1 1 22 ARG CZ C 1.525 8.474 6.780 . . . 1.0 . . . . . . . . . . . . A . 22 ARG CZ . . . . . . . . . c30642_6pv1 1 . 3 . 1369 . 1 1 22 ARG H H 0.192 5.958 0.004 . . . 1.0 . . . . . . . . . . . . A . 22 ARG H . . . . . . . . . c30642_6pv1 1 . 3 . 1370 . 1 1 22 ARG HA H 2.828 6.517 0.733 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HA . . . . . . . . . c30642_6pv1 1 . 3 . 1371 . 1 1 22 ARG HB2 H 0.922 7.599 1.788 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HB2 . . . . . . . . . c30642_6pv1 1 . 3 . 1372 . 1 1 22 ARG HB3 H 0.391 6.065 2.458 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HB3 . . . . . . . . . c30642_6pv1 1 . 3 . 1373 . 1 1 22 ARG HD2 H 0.883 8.521 4.137 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HD2 . . . . . . . . . c30642_6pv1 1 . 3 . 1374 . 1 1 22 ARG HD3 H 0.391 6.933 4.725 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HD3 . . . . . . . . . c30642_6pv1 1 . 3 . 1375 . 1 1 22 ARG HE H 2.898 7.416 5.784 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HE . . . . . . . . . c30642_6pv1 1 . 3 . 1376 . 1 1 22 ARG HG2 H 2.458 5.972 3.801 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HG2 . . . . . . . . . c30642_6pv1 1 . 3 . 1377 . 1 1 22 ARG HG3 H 2.900 7.563 3.176 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HG3 . . . . . . . . . c30642_6pv1 1 . 3 . 1378 . 1 1 22 ARG HH11 H -0.045 9.506 7.538 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HH11 . . . . . . . . . c30642_6pv1 1 . 3 . 1379 . 1 1 22 ARG HH12 H -0.276 8.877 5.940 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HH12 . . . . . . . . . c30642_6pv1 1 . 3 . 1380 . 1 1 22 ARG HH21 H 1.945 9.143 8.647 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HH21 . . . . . . . . . c30642_6pv1 1 . 3 . 1381 . 1 1 22 ARG HH22 H 3.210 8.238 7.875 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HH22 . . . . . . . . . c30642_6pv1 1 . 3 . 1382 . 1 1 22 ARG N N 1.126 5.656 -0.049 . . . 1.0 . . . . . . . . . . . . A . 22 ARG N . . . . . . . . . c30642_6pv1 1 . 3 . 1383 . 1 1 22 ARG NE N 1.990 7.794 5.735 . . . 1.0 . . . . . . . . . . . . A . 22 ARG NE . . . . . . . . . c30642_6pv1 1 . 3 . 1384 . 1 1 22 ARG NH1 N 0.303 8.994 6.750 . . . 1.0 . . . . . . . . . . . . A . 22 ARG NH1 . . . . . . . . . c30642_6pv1 1 . 3 . 1385 . 1 1 22 ARG NH2 N 2.287 8.631 7.853 . . . 1.0 . . . . . . . . . . . . A . 22 ARG NH2 . . . . . . . . . c30642_6pv1 1 . 3 . 1386 . 1 1 22 ARG O O 3.765 4.467 1.877 . . . 1.0 . . . . . . . . . . . . A . 22 ARG O . . . . . . . . . c30642_6pv1 1 . 3 . 1387 . 1 1 23 HIS C C 3.128 1.660 1.316 . . . 1.0 . . . . . . . . . . . . A . 23 HIS C . . . . . . . . . c30642_6pv1 1 . 3 . 1388 . 1 1 23 HIS CA C 2.079 2.285 2.230 . . . 1.0 . . . . . . . . . . . . A . 23 HIS CA . . . . . . . . . c30642_6pv1 1 . 3 . 1389 . 1 1 23 HIS CB C 0.853 1.370 2.339 . . . 1.0 . . . . . . . . . . . . A . 23 HIS CB . . . . . . . . . c30642_6pv1 1 . 3 . 1390 . 1 1 23 HIS CD2 C 1.469 -1.007 1.573 . . . 1.0 . . . . . . . . . . . . A . 23 HIS CD2 . . . . . . . . . c30642_6pv1 1 . 3 . 1391 . 1 1 23 HIS CE1 C 1.697 -1.991 3.500 . . . 1.0 . . . . . . . . . . . . A . 23 HIS CE1 . . . . . . . . . c30642_6pv1 1 . 3 . 1392 . 1 1 23 HIS CG C 1.198 -0.075 2.516 . . . 1.0 . . . . . . . . . . . . A . 23 HIS CG . . . . . . . . . c30642_6pv1 1 . 3 . 1393 . 1 1 23 HIS H H 0.747 3.766 1.521 . . . 1.0 . . . . . . . . . . . . A . 23 HIS H . . . . . . . . . c30642_6pv1 1 . 3 . 1394 . 1 1 23 HIS HA H 2.510 2.408 3.211 . . . 1.0 . . . . . . . . . . . . A . 23 HIS HA . . . . . . . . . c30642_6pv1 1 . 3 . 1395 . 1 1 23 HIS HB2 H 0.254 1.675 3.183 . . . 1.0 . . . . . . . . . . . . A . 23 HIS HB2 . . . . . . . . . c30642_6pv1 1 . 3 . 1396 . 1 1 23 HIS HB3 H 0.266 1.463 1.438 . . . 1.0 . . . . . . . . . . . . A . 23 HIS HB3 . . . . . . . . . c30642_6pv1 1 . 3 . 1397 . 1 1 23 HIS HD1 H 1.193 -0.315 4.631 . . . 1.0 . . . . . . . . . . . . A . 23 HIS HD1 . . . . . . . . . c30642_6pv1 1 . 3 . 1398 . 1 1 23 HIS HD2 H 1.429 -0.865 0.504 . . . 1.0 . . . . . . . . . . . . A . 23 HIS HD2 . . . . . . . . . c30642_6pv1 1 . 3 . 1399 . 1 1 23 HIS HE1 H 1.868 -2.745 4.253 . . . 1.0 . . . . . . . . . . . . A . 23 HIS HE1 . . . . . . . . . c30642_6pv1 1 . 3 . 1400 . 1 1 23 HIS N N 1.689 3.602 1.751 . . . 1.0 . . . . . . . . . . . . A . 23 HIS N . . . . . . . . . c30642_6pv1 1 . 3 . 1401 . 1 1 23 HIS ND1 N 1.338 -0.717 3.745 . . . 1.0 . . . . . . . . . . . . A . 23 HIS ND1 . . . . . . . . . c30642_6pv1 1 . 3 . 1402 . 1 1 23 HIS NE2 N 1.783 -2.179 2.210 . . . 1.0 . . . . . . . . . . . . A . 23 HIS NE2 . . . . . . . . . c30642_6pv1 1 . 3 . 1403 . 1 1 23 HIS O O 4.096 1.074 1.793 . . . 1.0 . . . . . . . . . . . . A . 23 HIS O . . . . . . . . . c30642_6pv1 1 . 3 . 1404 . 1 1 24 LYS C C 5.301 1.677 -0.702 . . . 1.0 . . . . . . . . . . . . A . 24 LYS C . . . . . . . . . c30642_6pv1 1 . 3 . 1405 . 1 1 24 LYS CA C 3.873 1.221 -0.969 . . . 1.0 . . . . . . . . . . . . A . 24 LYS CA . . . . . . . . . c30642_6pv1 1 . 3 . 1406 . 1 1 24 LYS CB C 3.493 1.609 -2.399 . . . 1.0 . . . . . . . . . . . . A . 24 LYS CB . . . . . . . . . c30642_6pv1 1 . 3 . 1407 . 1 1 24 LYS CD C 1.988 1.330 -4.375 . . . 1.0 . . . . . . . . . . . . A . 24 LYS CD . . . . . . . . . c30642_6pv1 1 . 3 . 1408 . 1 1 24 LYS CE C 0.724 0.691 -4.928 . . . 1.0 . . . . . . . . . . . . A . 24 LYS CE . . . . . . . . . c30642_6pv1 1 . 3 . 1409 . 1 1 24 LYS CG C 2.242 0.930 -2.931 . . . 1.0 . . . . . . . . . . . . A . 24 LYS CG . . . . . . . . . c30642_6pv1 1 . 3 . 1410 . 1 1 24 LYS H H 2.141 2.272 -0.317 . . . 1.0 . . . . . . . . . . . . A . 24 LYS H . . . . . . . . . c30642_6pv1 1 . 3 . 1411 . 1 1 24 LYS HA H 3.832 0.147 -0.874 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HA . . . . . . . . . c30642_6pv1 1 . 3 . 1412 . 1 1 24 LYS HB2 H 3.335 2.676 -2.435 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HB2 . . . . . . . . . c30642_6pv1 1 . 3 . 1413 . 1 1 24 LYS HB3 H 4.315 1.356 -3.051 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HB3 . . . . . . . . . c30642_6pv1 1 . 3 . 1414 . 1 1 24 LYS HD2 H 1.889 2.402 -4.428 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HD2 . . . . . . . . . c30642_6pv1 1 . 3 . 1415 . 1 1 24 LYS HD3 H 2.830 1.017 -4.974 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HD3 . . . . . . . . . c30642_6pv1 1 . 3 . 1416 . 1 1 24 LYS HE2 H -0.107 0.963 -4.299 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HE2 . . . . . . . . . c30642_6pv1 1 . 3 . 1417 . 1 1 24 LYS HE3 H 0.556 1.066 -5.927 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HE3 . . . . . . . . . c30642_6pv1 1 . 3 . 1418 . 1 1 24 LYS HG2 H 2.372 -0.141 -2.881 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HG2 . . . . . . . . . c30642_6pv1 1 . 3 . 1419 . 1 1 24 LYS HG3 H 1.395 1.223 -2.329 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HG3 . . . . . . . . . c30642_6pv1 1 . 3 . 1420 . 1 1 24 LYS HZ1 H 1.612 -1.076 -5.595 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HZ1 . . . . . . . . . c30642_6pv1 1 . 3 . 1421 . 1 1 24 LYS HZ2 H -0.058 -1.197 -5.357 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HZ2 . . . . . . . . . c30642_6pv1 1 . 3 . 1422 . 1 1 24 LYS HZ3 H 0.987 -1.175 -4.029 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HZ3 . . . . . . . . . c30642_6pv1 1 . 3 . 1423 . 1 1 24 LYS N N 2.938 1.790 0.005 . . . 1.0 . . . . . . . . . . . . A . 24 LYS N . . . . . . . . . c30642_6pv1 1 . 3 . 1424 . 1 1 24 LYS NZ N 0.824 -0.791 -4.980 . . . 1.0 . . . . . . . . . . . . A . 24 LYS NZ . . . . . . . . . c30642_6pv1 1 . 3 . 1425 . 1 1 24 LYS O O 6.257 0.959 -1.001 . . . 1.0 . . . . . . . . . . . . A . 24 LYS O . . . . . . . . . c30642_6pv1 1 . 3 . 1426 . 1 1 25 ARG C C 7.513 2.671 1.214 . . . 1.0 . . . . . . . . . . . . A . 25 ARG C . . . . . . . . . c30642_6pv1 1 . 3 . 1427 . 1 1 25 ARG CA C 6.752 3.444 0.138 . . . 1.0 . . . . . . . . . . . . A . 25 ARG CA . . . . . . . . . c30642_6pv1 1 . 3 . 1428 . 1 1 25 ARG CB C 6.609 4.916 0.520 . . . 1.0 . . . . . . . . . . . . A . 25 ARG CB . . . . . . . . . c30642_6pv1 1 . 3 . 1429 . 1 1 25 ARG CD C 5.956 7.227 -0.240 . . . 1.0 . . . . . . . . . . . . A . 25 ARG CD . . . . . . . . . c30642_6pv1 1 . 3 . 1430 . 1 1 25 ARG CG C 5.966 5.747 -0.577 . . . 1.0 . . . . . . . . . . . . A . 25 ARG CG . . . . . . . . . c30642_6pv1 1 . 3 . 1431 . 1 1 25 ARG CZ C 5.505 9.321 -1.475 . . . 1.0 . . . . . . . . . . . . A . 25 ARG CZ . . . . . . . . . c30642_6pv1 1 . 3 . 1432 . 1 1 25 ARG H H 4.634 3.377 0.124 . . . 1.0 . . . . . . . . . . . . A . 25 ARG H . . . . . . . . . c30642_6pv1 1 . 3 . 1433 . 1 1 25 ARG HA H 7.318 3.383 -0.777 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HA . . . . . . . . . c30642_6pv1 1 . 3 . 1434 . 1 1 25 ARG HB2 H 5.996 4.988 1.408 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HB2 . . . . . . . . . c30642_6pv1 1 . 3 . 1435 . 1 1 25 ARG HB3 H 7.585 5.323 0.729 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HB3 . . . . . . . . . c30642_6pv1 1 . 3 . 1436 . 1 1 25 ARG HD2 H 5.402 7.374 0.675 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HD2 . . . . . . . . . c30642_6pv1 1 . 3 . 1437 . 1 1 25 ARG HD3 H 6.974 7.561 -0.105 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HD3 . . . . . . . . . c30642_6pv1 1 . 3 . 1438 . 1 1 25 ARG HE H 4.754 7.526 -1.938 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HE . . . . . . . . . c30642_6pv1 1 . 3 . 1439 . 1 1 25 ARG HG2 H 6.518 5.603 -1.493 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HG2 . . . . . . . . . c30642_6pv1 1 . 3 . 1440 . 1 1 25 ARG HG3 H 4.948 5.415 -0.715 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HG3 . . . . . . . . . c30642_6pv1 1 . 3 . 1441 . 1 1 25 ARG HH11 H 6.415 10.996 -0.787 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HH11 . . . . . . . . . c30642_6pv1 1 . 3 . 1442 . 1 1 25 ARG HH12 H 6.768 9.544 0.094 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HH12 . . . . . . . . . c30642_6pv1 1 . 3 . 1443 . 1 1 25 ARG HH21 H 4.302 9.434 -3.105 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HH21 . . . . . . . . . c30642_6pv1 1 . 3 . 1444 . 1 1 25 ARG HH22 H 5.013 10.935 -2.601 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HH22 . . . . . . . . . c30642_6pv1 1 . 3 . 1445 . 1 1 25 ARG N N 5.441 2.867 -0.126 . . . 1.0 . . . . . . . . . . . . A . 25 ARG N . . . . . . . . . c30642_6pv1 1 . 3 . 1446 . 1 1 25 ARG NE N 5.334 8.012 -1.306 . . . 1.0 . . . . . . . . . . . . A . 25 ARG NE . . . . . . . . . c30642_6pv1 1 . 3 . 1447 . 1 1 25 ARG NH1 N 6.292 10.008 -0.657 . . . 1.0 . . . . . . . . . . . . A . 25 ARG NH1 . . . . . . . . . c30642_6pv1 1 . 3 . 1448 . 1 1 25 ARG NH2 N 4.891 9.947 -2.472 . . . 1.0 . . . . . . . . . . . . A . 25 ARG NH2 . . . . . . . . . c30642_6pv1 1 . 3 . 1449 . 1 1 25 ARG O O 8.703 2.902 1.425 . . . 1.0 . . . . . . . . . . . . A . 25 ARG O . . . . . . . . . c30642_6pv1 1 . 3 . 1450 . 1 1 26 THR C C 8.198 -0.279 2.126 . . . 1.0 . . . . . . . . . . . . A . 26 THR C . . . . . . . . . c30642_6pv1 1 . 3 . 1451 . 1 1 26 THR CA C 7.507 0.881 2.842 . . . 1.0 . . . . . . . . . . . . A . 26 THR CA . . . . . . . . . c30642_6pv1 1 . 3 . 1452 . 1 1 26 THR CB C 6.534 0.326 3.903 . . . 1.0 . . . . . . . . . . . . A . 26 THR CB . . . . . . . . . c30642_6pv1 1 . 3 . 1453 . 1 1 26 THR CG2 C 5.877 1.454 4.684 . . . 1.0 . . . . . . . . . . . . A . 26 THR CG2 . . . . . . . . . c30642_6pv1 1 . 3 . 1454 . 1 1 26 THR H H 5.876 1.635 1.718 . . . 1.0 . . . . . . . . . . . . A . 26 THR H . . . . . . . . . c30642_6pv1 1 . 3 . 1455 . 1 1 26 THR HA H 8.257 1.472 3.346 . . . 1.0 . . . . . . . . . . . . A . 26 THR HA . . . . . . . . . c30642_6pv1 1 . 3 . 1456 . 1 1 26 THR HB H 7.095 -0.287 4.592 . . . 1.0 . . . . . . . . . . . . A . 26 THR HB . . . . . . . . . c30642_6pv1 1 . 3 . 1457 . 1 1 26 THR HG1 H 4.848 0.091 2.889 . . . 1.0 . . . . . . . . . . . . A . 26 THR HG1 . . . . . . . . . c30642_6pv1 1 . 3 . 1458 . 1 1 26 THR HG21 H 5.229 1.038 5.440 . . . 1.0 . . . . . . . . . . . . A . 26 THR HG21 . . . . . . . . . c30642_6pv1 1 . 3 . 1459 . 1 1 26 THR HG22 H 5.297 2.067 4.010 . . . 1.0 . . . . . . . . . . . . A . 26 THR HG22 . . . . . . . . . c30642_6pv1 1 . 3 . 1460 . 1 1 26 THR HG23 H 6.639 2.059 5.154 . . . 1.0 . . . . . . . . . . . . A . 26 THR HG23 . . . . . . . . . c30642_6pv1 1 . 3 . 1461 . 1 1 26 THR N N 6.839 1.742 1.878 . . . 1.0 . . . . . . . . . . . . A . 26 THR N . . . . . . . . . c30642_6pv1 1 . 3 . 1462 . 1 1 26 THR O O 9.170 -0.846 2.627 . . . 1.0 . . . . . . . . . . . . A . 26 THR O . . . . . . . . . c30642_6pv1 1 . 3 . 1463 . 1 1 26 THR OG1 O 5.525 -0.481 3.282 . . . 1.0 . . . . . . . . . . . . A . 26 THR OG1 . . . . . . . . . c30642_6pv1 1 . 3 . 1464 . 1 1 27 HIS C C 9.355 -1.047 -0.778 . . . 1.0 . . . . . . . . . . . . A . 27 HIS C . . . . . . . . . c30642_6pv1 1 . 3 . 1465 . 1 1 27 HIS CA C 8.303 -1.668 0.132 . . . 1.0 . . . . . . . . . . . . A . 27 HIS CA . . . . . . . . . c30642_6pv1 1 . 3 . 1466 . 1 1 27 HIS CB C 7.266 -2.408 -0.725 . . . 1.0 . . . . . . . . . . . . A . 27 HIS CB . . . . . . . . . c30642_6pv1 1 . 3 . 1467 . 1 1 27 HIS CD2 C 4.855 -2.832 0.093 . . . 1.0 . . . . . . . . . . . . A . 27 HIS CD2 . . . . . . . . . c30642_6pv1 1 . 3 . 1468 . 1 1 27 HIS CE1 C 5.165 -4.620 1.300 . . . 1.0 . . . . . . . . . . . . A . 27 HIS CE1 . . . . . . . . . c30642_6pv1 1 . 3 . 1469 . 1 1 27 HIS CG C 6.182 -3.107 0.040 . . . 1.0 . . . . . . . . . . . . A . 27 HIS CG . . . . . . . . . c30642_6pv1 1 . 3 . 1470 . 1 1 27 HIS H H 6.888 -0.169 0.616 . . . 1.0 . . . . . . . . . . . . A . 27 HIS H . . . . . . . . . c30642_6pv1 1 . 3 . 1471 . 1 1 27 HIS HA H 8.784 -2.372 0.796 . . . 1.0 . . . . . . . . . . . . A . 27 HIS HA . . . . . . . . . c30642_6pv1 1 . 3 . 1472 . 1 1 27 HIS HB2 H 6.787 -1.697 -1.381 . . . 1.0 . . . . . . . . . . . . A . 27 HIS HB2 . . . . . . . . . c30642_6pv1 1 . 3 . 1473 . 1 1 27 HIS HB3 H 7.774 -3.150 -1.326 . . . 1.0 . . . . . . . . . . . . A . 27 HIS HB3 . . . . . . . . . c30642_6pv1 1 . 3 . 1474 . 1 1 27 HIS HD1 H 7.226 -4.710 0.978 . . . 1.0 . . . . . . . . . . . . A . 27 HIS HD1 . . . . . . . . . c30642_6pv1 1 . 3 . 1475 . 1 1 27 HIS HD2 H 4.348 -2.021 -0.406 . . . 1.0 . . . . . . . . . . . . A . 27 HIS HD2 . . . . . . . . . c30642_6pv1 1 . 3 . 1476 . 1 1 27 HIS HE1 H 4.981 -5.480 1.925 . . . 1.0 . . . . . . . . . . . . A . 27 HIS HE1 . . . . . . . . . c30642_6pv1 1 . 3 . 1477 . 1 1 27 HIS N N 7.688 -0.629 0.947 . . . 1.0 . . . . . . . . . . . . A . 27 HIS N . . . . . . . . . c30642_6pv1 1 . 3 . 1478 . 1 1 27 HIS ND1 N 6.369 -4.249 0.818 . . . 1.0 . . . . . . . . . . . . A . 27 HIS ND1 . . . . . . . . . c30642_6pv1 1 . 3 . 1479 . 1 1 27 HIS NE2 N 4.250 -3.788 0.880 . . . 1.0 . . . . . . . . . . . . A . 27 HIS NE2 . . . . . . . . . c30642_6pv1 1 . 3 . 1480 . 1 1 27 HIS O O 10.492 -1.516 -0.847 . . . 1.0 . . . . . . . . . . . . A . 27 HIS O . . . . . . . . . c30642_6pv1 1 . 3 . 1481 . 1 1 28 THR C C 9.321 2.091 -2.757 . . . 1.0 . . . . . . . . . . . . A . 28 THR C . . . . . . . . . c30642_6pv1 1 . 3 . 1482 . 1 1 28 THR CA C 9.872 0.710 -2.383 . . . 1.0 . . . . . . . . . . . . A . 28 THR CA . . . . . . . . . c30642_6pv1 1 . 3 . 1483 . 1 1 28 THR CB C 10.122 -0.134 -3.658 . . . 1.0 . . . . . . . . . . . . A . 28 THR CB . . . . . . . . . c30642_6pv1 1 . 3 . 1484 . 1 1 28 THR CG2 C 8.837 -0.344 -4.447 . . . 1.0 . . . . . . . . . . . . A . 28 THR CG2 . . . . . . . . . c30642_6pv1 1 . 3 . 1485 . 1 1 28 THR H H 8.068 0.381 -1.330 . . . 1.0 . . . . . . . . . . . . A . 28 THR H . . . . . . . . . c30642_6pv1 1 . 3 . 1486 . 1 1 28 THR HA H 10.817 0.842 -1.878 . . . 1.0 . . . . . . . . . . . . A . 28 THR HA . . . . . . . . . c30642_6pv1 1 . 3 . 1487 . 1 1 28 THR HB H 10.497 -1.100 -3.355 . . . 1.0 . . . . . . . . . . . . A . 28 THR HB . . . . . . . . . c30642_6pv1 1 . 3 . 1488 . 1 1 28 THR HG1 H 11.328 -0.095 -5.221 . . . 1.0 . . . . . . . . . . . . A . 28 THR HG1 . . . . . . . . . c30642_6pv1 1 . 3 . 1489 . 1 1 28 THR HG21 H 8.124 -0.880 -3.838 . . . 1.0 . . . . . . . . . . . . A . 28 THR HG21 . . . . . . . . . c30642_6pv1 1 . 3 . 1490 . 1 1 28 THR HG22 H 9.051 -0.915 -5.339 . . . 1.0 . . . . . . . . . . . . A . 28 THR HG22 . . . . . . . . . c30642_6pv1 1 . 3 . 1491 . 1 1 28 THR HG23 H 8.426 0.615 -4.724 . . . 1.0 . . . . . . . . . . . . A . 28 THR HG23 . . . . . . . . . c30642_6pv1 1 . 3 . 1492 . 1 1 28 THR N N 8.973 0.028 -1.461 . . . 1.0 . . . . . . . . . . . . A . 28 THR N . . . . . . . . . c30642_6pv1 1 . 3 . 1493 . 1 1 28 THR O O 10.080 3.048 -2.926 . . . 1.0 . . . . . . . . . . . . A . 28 THR O . . . . . . . . . c30642_6pv1 1 . 3 . 1494 . 1 1 28 THR OG1 O 11.100 0.498 -4.493 . . . 1.0 . . . . . . . . . . . . A . 28 THR OG1 . . . . . . . . . c30642_6pv1 1 . 3 . 1495 . 1 1 29 GLY C C 6.872 3.601 -4.556 . . . 1.0 . . . . . . . . . . . . A . 29 GLY C . . . . . . . . . c30642_6pv1 1 . 3 . 1496 . 1 1 29 GLY CA C 7.376 3.474 -3.138 . . . 1.0 . . . . . . . . . . . . A . 29 GLY CA . . . . . . . . . c30642_6pv1 1 . 3 . 1497 . 1 1 29 GLY H H 7.446 1.391 -2.787 . . . 1.0 . . . . . . . . . . . . A . 29 GLY H . . . . . . . . . c30642_6pv1 1 . 3 . 1498 . 1 1 29 GLY HA2 H 6.541 3.602 -2.466 . . . 1.0 . . . . . . . . . . . . A . 29 GLY HA2 . . . . . . . . . c30642_6pv1 1 . 3 . 1499 . 1 1 29 GLY HA3 H 8.096 4.257 -2.953 . . . 1.0 . . . . . . . . . . . . A . 29 GLY HA3 . . . . . . . . . c30642_6pv1 1 . 3 . 1500 . 1 1 29 GLY N N 8.000 2.193 -2.871 . . . 1.0 . . . . . . . . . . . . A . 29 GLY N . . . . . . . . . c30642_6pv1 1 . 3 . 1501 . 1 1 29 GLY O O 6.511 2.607 -5.190 . . . 1.0 . . . . . . . . . . . . A . 29 GLY O . . . . . . . . . c30642_6pv1 1 . 3 . 1502 . 1 1 30 GLU C C 7.394 4.689 -7.417 . . . 1.0 . . . . . . . . . . . . A . 30 GLU C . . . . . . . . . c30642_6pv1 1 . 3 . 1503 . 1 1 30 GLU CA C 6.373 5.142 -6.381 . . . 1.0 . . . . . . . . . . . . A . 30 GLU CA . . . . . . . . . c30642_6pv1 1 . 3 . 1504 . 1 1 30 GLU CB C 6.139 6.651 -6.498 . . . 1.0 . . . . . . . . . . . . A . 30 GLU CB . . . . . . . . . c30642_6pv1 1 . 3 . 1505 . 1 1 30 GLU CD C 5.639 8.616 -7.977 . . . 1.0 . . . . . . . . . . . . A . 30 GLU CD . . . . . . . . . c30642_6pv1 1 . 3 . 1506 . 1 1 30 GLU CG C 5.658 7.109 -7.861 . . . 1.0 . . . . . . . . . . . . A . 30 GLU CG . . . . . . . . . c30642_6pv1 1 . 3 . 1507 . 1 1 30 GLU H H 7.168 5.568 -4.477 . . . 1.0 . . . . . . . . . . . . A . 30 GLU H . . . . . . . . . c30642_6pv1 1 . 3 . 1508 . 1 1 30 GLU HA H 5.443 4.621 -6.544 . . . 1.0 . . . . . . . . . . . . A . 30 GLU HA . . . . . . . . . c30642_6pv1 1 . 3 . 1509 . 1 1 30 GLU HB2 H 5.400 6.944 -5.768 . . . 1.0 . . . . . . . . . . . . A . 30 GLU HB2 . . . . . . . . . c30642_6pv1 1 . 3 . 1510 . 1 1 30 GLU HB3 H 7.066 7.163 -6.279 . . . 1.0 . . . . . . . . . . . . A . 30 GLU HB3 . . . . . . . . . c30642_6pv1 1 . 3 . 1511 . 1 1 30 GLU HG2 H 6.318 6.710 -8.617 . . . 1.0 . . . . . . . . . . . . A . 30 GLU HG2 . . . . . . . . . c30642_6pv1 1 . 3 . 1512 . 1 1 30 GLU HG3 H 4.657 6.737 -8.021 . . . 1.0 . . . . . . . . . . . . A . 30 GLU HG3 . . . . . . . . . c30642_6pv1 1 . 3 . 1513 . 1 1 30 GLU N N 6.847 4.832 -5.042 . . . 1.0 . . . . . . . . . . . . A . 30 GLU N . . . . . . . . . c30642_6pv1 1 . 3 . 1514 . 1 1 30 GLU O O 7.042 4.188 -8.485 . . . 1.0 . . . . . . . . . . . . A . 30 GLU O . . . . . . . . . c30642_6pv1 1 . 3 . 1515 . 1 1 30 GLU OE1 O 6.696 9.212 -8.269 . . . 1.0 . . . . . . . . . . . . A . 30 GLU OE1 . . . . . . . . . c30642_6pv1 1 . 3 . 1516 . 1 1 30 GLU OE2 O 4.556 9.215 -7.796 . . . 1.0 . . . . . . . . . . . . A . 30 GLU OE2 . . . . . . . . . c30642_6pv1 1 . 3 . 1517 . 1 1 31 LYS C C 10.002 2.998 -7.901 . . . 1.0 . . . . . . . . . . . . A . 31 LYS C . . . . . . . . . c30642_6pv1 1 . 3 . 1518 . 1 1 31 LYS CA C 9.742 4.496 -7.990 . . . 1.0 . . . . . . . . . . . . A . 31 LYS CA . . . . . . . . . c30642_6pv1 1 . 3 . 1519 . 1 1 31 LYS CB C 11.017 5.278 -7.664 . . . 1.0 . . . . . . . . . . . . A . 31 LYS CB . . . . . . . . . c30642_6pv1 1 . 3 . 1520 . 1 1 31 LYS CD C 10.314 7.340 -8.929 . . . 1.0 . . . . . . . . . . . . A . 31 LYS CD . . . . . . . . . c30642_6pv1 1 . 3 . 1521 . 1 1 31 LYS CE C 10.241 8.859 -8.904 . . . 1.0 . . . . . . . . . . . . A . 31 LYS CE . . . . . . . . . c30642_6pv1 1 . 3 . 1522 . 1 1 31 LYS CG C 10.821 6.785 -7.608 . . . 1.0 . . . . . . . . . . . . A . 31 LYS CG . . . . . . . . . c30642_6pv1 1 . 3 . 1523 . 1 1 31 LYS H H 8.881 5.258 -6.213 . . . 1.0 . . . . . . . . . . . . A . 31 LYS H . . . . . . . . . c30642_6pv1 1 . 3 . 1524 . 1 1 31 LYS HA H 9.428 4.736 -8.995 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HA . . . . . . . . . c30642_6pv1 1 . 3 . 1525 . 1 1 31 LYS HB2 H 11.390 4.950 -6.707 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HB2 . . . . . . . . . c30642_6pv1 1 . 3 . 1526 . 1 1 31 LYS HB3 H 11.758 5.062 -8.420 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HB3 . . . . . . . . . c30642_6pv1 1 . 3 . 1527 . 1 1 31 LYS HD2 H 10.985 7.035 -9.717 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HD2 . . . . . . . . . c30642_6pv1 1 . 3 . 1528 . 1 1 31 LYS HD3 H 9.327 6.943 -9.119 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HD3 . . . . . . . . . c30642_6pv1 1 . 3 . 1529 . 1 1 31 LYS HE2 H 11.233 9.252 -8.746 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HE2 . . . . . . . . . c30642_6pv1 1 . 3 . 1530 . 1 1 31 LYS HE3 H 9.869 9.203 -9.858 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HE3 . . . . . . . . . c30642_6pv1 1 . 3 . 1531 . 1 1 31 LYS HG2 H 10.100 7.012 -6.838 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HG2 . . . . . . . . . c30642_6pv1 1 . 3 . 1532 . 1 1 31 LYS HG3 H 11.765 7.251 -7.369 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HG3 . . . . . . . . . c30642_6pv1 1 . 3 . 1533 . 1 1 31 LYS HZ1 H 8.360 9.072 -8.009 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HZ1 . . . . . . . . . c30642_6pv1 1 . 3 . 1534 . 1 1 31 LYS HZ2 H 9.383 10.402 -7.793 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HZ2 . . . . . . . . . c30642_6pv1 1 . 3 . 1535 . 1 1 31 LYS HZ3 H 9.645 8.989 -6.905 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HZ3 . . . . . . . . . c30642_6pv1 1 . 3 . 1536 . 1 1 31 LYS N N 8.664 4.869 -7.088 . . . 1.0 . . . . . . . . . . . . A . 31 LYS N . . . . . . . . . c30642_6pv1 1 . 3 . 1537 . 1 1 31 LYS NZ N 9.348 9.364 -7.827 . . . 1.0 . . . . . . . . . . . . A . 31 LYS NZ . . . . . . . . . c30642_6pv1 1 . 3 . 1538 . 1 1 31 LYS O O 9.654 2.239 -8.806 . . . 1.0 . . . . . . . . . . . . A . 31 LYS O . . . . . . . . . c30642_6pv1 1 . 3 . 1539 . 1 1 32 NH2 HN1 H 10.862 3.233 -6.126 . . . 1.0 . . . . . . . . . . . . A . 32 NH2 HN1 . . . . . . . . . c30642_6pv1 1 . 3 . 1540 . 1 1 32 NH2 HN2 H 10.791 1.608 -6.722 . . . 1.0 . . . . . . . . . . . . A . 32 NH2 HN2 . . . . . . . . . c30642_6pv1 1 . 3 . 1541 . 1 1 32 NH2 N N 10.612 2.572 -6.808 . . . 1.0 . . . . . . . . . . . . A . 32 NH2 N . . . . . . . . . c30642_6pv1 1 . 3 . 1542 . 2 2 1 ZN ZN Zn 2.296 -3.861 1.284 . . . 1.0 . . . . . . . . . . . . A . 101 ZN ZN . . . . . . . . . c30642_6pv1 1 . 4 . 1543 . 1 1 1 ARG C C -12.165 0.675 -2.380 . . . 1.0 . . . . . . . . . . . . A . 1 ARG C . . . . . . . . . c30642_6pv1 1 . 4 . 1544 . 1 1 1 ARG CA C -13.090 1.246 -3.444 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CA . . . . . . . . . c30642_6pv1 1 . 4 . 1545 . 1 1 1 ARG CB C -12.248 1.956 -4.504 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CB . . . . . . . . . c30642_6pv1 1 . 4 . 1546 . 1 1 1 ARG CD C -12.171 3.218 -6.668 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CD . . . . . . . . . c30642_6pv1 1 . 4 . 1547 . 1 1 1 ARG CG C -13.037 2.411 -5.717 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CG . . . . . . . . . c30642_6pv1 1 . 4 . 1548 . 1 1 1 ARG CZ C -9.927 3.015 -7.677 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CZ . . . . . . . . . c30642_6pv1 1 . 4 . 1549 . 1 1 1 ARG H1 H -13.564 2.975 -2.391 . . . 1.0 . . . . . . . . . . . . A . 1 ARG H1 . . . . . . . . . c30642_6pv1 1 . 4 . 1550 . 1 1 1 ARG H2 H -14.626 1.691 -2.114 . . . 1.0 . . . . . . . . . . . . A . 1 ARG H2 . . . . . . . . . c30642_6pv1 1 . 4 . 1551 . 1 1 1 ARG H3 H -14.706 2.556 -3.562 . . . 1.0 . . . . . . . . . . . . A . 1 ARG H3 . . . . . . . . . c30642_6pv1 1 . 4 . 1552 . 1 1 1 ARG HA H -13.635 0.440 -3.909 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HA . . . . . . . . . c30642_6pv1 1 . 4 . 1553 . 1 1 1 ARG HB2 H -11.785 2.823 -4.056 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HB2 . . . . . . . . . c30642_6pv1 1 . 4 . 1554 . 1 1 1 ARG HB3 H -11.474 1.280 -4.839 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HB3 . . . . . . . . . c30642_6pv1 1 . 4 . 1555 . 1 1 1 ARG HD2 H -12.769 3.516 -7.516 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HD2 . . . . . . . . . c30642_6pv1 1 . 4 . 1556 . 1 1 1 ARG HD3 H -11.820 4.097 -6.152 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HD3 . . . . . . . . . c30642_6pv1 1 . 4 . 1557 . 1 1 1 ARG HE H -11.061 1.475 -7.075 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HE . . . . . . . . . c30642_6pv1 1 . 4 . 1558 . 1 1 1 ARG HG2 H -13.414 1.543 -6.237 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HG2 . . . . . . . . . c30642_6pv1 1 . 4 . 1559 . 1 1 1 ARG HG3 H -13.863 3.025 -5.389 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HG3 . . . . . . . . . c30642_6pv1 1 . 4 . 1560 . 1 1 1 ARG HH11 H -9.009 4.759 -8.155 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH11 . . . . . . . . . c30642_6pv1 1 . 4 . 1561 . 1 1 1 ARG HH12 H -10.562 4.923 -7.404 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH12 . . . . . . . . . c30642_6pv1 1 . 4 . 1562 . 1 1 1 ARG HH21 H -8.109 2.670 -8.507 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH21 . . . . . . . . . c30642_6pv1 1 . 4 . 1563 . 1 1 1 ARG HH22 H -8.989 1.252 -8.031 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH22 . . . . . . . . . c30642_6pv1 1 . 4 . 1564 . 1 1 1 ARG N N -14.063 2.181 -2.838 . . . 1.0 . . . . . . . . . . . . A . 1 ARG N . . . . . . . . . c30642_6pv1 1 . 4 . 1565 . 1 1 1 ARG NE N -11.016 2.456 -7.147 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NE . . . . . . . . . c30642_6pv1 1 . 4 . 1566 . 1 1 1 ARG NH1 N -9.826 4.337 -7.757 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NH1 . . . . . . . . . c30642_6pv1 1 . 4 . 1567 . 1 1 1 ARG NH2 N -8.930 2.252 -8.107 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NH2 . . . . . . . . . c30642_6pv1 1 . 4 . 1568 . 1 1 1 ARG O O -11.398 1.412 -1.765 . . . 1.0 . . . . . . . . . . . . A . 1 ARG O . . . . . . . . . c30642_6pv1 1 . 4 . 1569 . 1 1 2 PRO C C -9.939 -1.504 -1.918 . . . 1.0 . . . . . . . . . . . . A . 2 PRO C . . . . . . . . . c30642_6pv1 1 . 4 . 1570 . 1 1 2 PRO CA C -11.293 -1.314 -1.242 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CA . . . . . . . . . c30642_6pv1 1 . 4 . 1571 . 1 1 2 PRO CB C -11.944 -2.677 -0.967 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CB . . . . . . . . . c30642_6pv1 1 . 4 . 1572 . 1 1 2 PRO CD C -13.230 -1.573 -2.664 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CD . . . . . . . . . c30642_6pv1 1 . 4 . 1573 . 1 1 2 PRO CG C -13.303 -2.616 -1.586 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CG . . . . . . . . . c30642_6pv1 1 . 4 . 1574 . 1 1 2 PRO HA H -11.161 -0.773 -0.316 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HA . . . . . . . . . c30642_6pv1 1 . 4 . 1575 . 1 1 2 PRO HB2 H -11.345 -3.453 -1.414 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HB2 . . . . . . . . . c30642_6pv1 1 . 4 . 1576 . 1 1 2 PRO HB3 H -12.006 -2.836 0.099 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HB3 . . . . . . . . . c30642_6pv1 1 . 4 . 1577 . 1 1 2 PRO HD2 H -12.894 -2.009 -3.593 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HD2 . . . . . . . . . c30642_6pv1 1 . 4 . 1578 . 1 1 2 PRO HD3 H -14.186 -1.090 -2.788 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HD3 . . . . . . . . . c30642_6pv1 1 . 4 . 1579 . 1 1 2 PRO HG2 H -13.554 -3.577 -2.012 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HG2 . . . . . . . . . c30642_6pv1 1 . 4 . 1580 . 1 1 2 PRO HG3 H -14.034 -2.334 -0.842 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HG3 . . . . . . . . . c30642_6pv1 1 . 4 . 1581 . 1 1 2 PRO N N -12.233 -0.639 -2.129 . . . 1.0 . . . . . . . . . . . . A . 2 PRO N . . . . . . . . . c30642_6pv1 1 . 4 . 1582 . 1 1 2 PRO O O -9.832 -2.188 -2.938 . . . 1.0 . . . . . . . . . . . . A . 2 PRO O . . . . . . . . . c30642_6pv1 1 . 4 . 1583 . 1 1 3 PHE C C -6.802 -2.089 -1.223 . . . 1.0 . . . . . . . . . . . . A . 3 PHE C . . . . . . . . . c30642_6pv1 1 . 4 . 1584 . 1 1 3 PHE CA C -7.575 -0.979 -1.914 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CA . . . . . . . . . c30642_6pv1 1 . 4 . 1585 . 1 1 3 PHE CB C -6.848 0.359 -1.762 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CB . . . . . . . . . c30642_6pv1 1 . 4 . 1586 . 1 1 3 PHE CD1 C -7.244 1.598 -3.900 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD1 . . . . . . . . . c30642_6pv1 1 . 4 . 1587 . 1 1 3 PHE CD2 C -8.356 2.355 -1.932 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD2 . . . . . . . . . c30642_6pv1 1 . 4 . 1588 . 1 1 3 PHE CE1 C -7.845 2.603 -4.631 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE1 . . . . . . . . . c30642_6pv1 1 . 4 . 1589 . 1 1 3 PHE CE2 C -8.960 3.363 -2.657 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE2 . . . . . . . . . c30642_6pv1 1 . 4 . 1590 . 1 1 3 PHE CG C -7.492 1.463 -2.545 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CG . . . . . . . . . c30642_6pv1 1 . 4 . 1591 . 1 1 3 PHE CZ C -8.705 3.487 -4.009 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CZ . . . . . . . . . c30642_6pv1 1 . 4 . 1592 . 1 1 3 PHE H H -9.060 -0.361 -0.543 . . . 1.0 . . . . . . . . . . . . A . 3 PHE H . . . . . . . . . c30642_6pv1 1 . 4 . 1593 . 1 1 3 PHE HA H -7.660 -1.215 -2.964 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HA . . . . . . . . . c30642_6pv1 1 . 4 . 1594 . 1 1 3 PHE HB2 H -6.844 0.647 -0.722 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB2 . . . . . . . . . c30642_6pv1 1 . 4 . 1595 . 1 1 3 PHE HB3 H -5.833 0.253 -2.105 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB3 . . . . . . . . . c30642_6pv1 1 . 4 . 1596 . 1 1 3 PHE HD1 H -6.573 0.907 -4.386 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD1 . . . . . . . . . c30642_6pv1 1 . 4 . 1597 . 1 1 3 PHE HD2 H -8.555 2.260 -0.875 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD2 . . . . . . . . . c30642_6pv1 1 . 4 . 1598 . 1 1 3 PHE HE1 H -7.642 2.699 -5.687 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE1 . . . . . . . . . c30642_6pv1 1 . 4 . 1599 . 1 1 3 PHE HE2 H -9.630 4.051 -2.167 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE2 . . . . . . . . . c30642_6pv1 1 . 4 . 1600 . 1 1 3 PHE HZ H -9.178 4.273 -4.579 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HZ . . . . . . . . . c30642_6pv1 1 . 4 . 1601 . 1 1 3 PHE N N -8.916 -0.887 -1.362 . . . 1.0 . . . . . . . . . . . . A . 3 PHE N . . . . . . . . . c30642_6pv1 1 . 4 . 1602 . 1 1 3 PHE O O -6.933 -2.285 -0.017 . . . 1.0 . . . . . . . . . . . . A . 3 PHE O . . . . . . . . . c30642_6pv1 1 . 4 . 1603 . 1 1 4 NLE C C -3.844 -3.945 -1.985 . . . 1.0 . . . . . . . . . . . . A . 4 NLE C . . . . . . . . . c30642_6pv1 1 . 4 . 1604 . 1 1 4 NLE CA C -5.257 -3.933 -1.433 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CA . . . . . . . . . c30642_6pv1 1 . 4 . 1605 . 1 1 4 NLE CB C -5.945 -5.259 -1.752 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CB . . . . . . . . . c30642_6pv1 1 . 4 . 1606 . 1 1 4 NLE CD C -5.828 -7.769 -1.722 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CD . . . . . . . . . c30642_6pv1 1 . 4 . 1607 . 1 1 4 NLE CE C -5.021 -8.957 -1.246 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CE . . . . . . . . . c30642_6pv1 1 . 4 . 1608 . 1 1 4 NLE CG C -5.199 -6.479 -1.229 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CG . . . . . . . . . c30642_6pv1 1 . 4 . 1609 . 1 1 4 NLE H H -5.937 -2.618 -2.941 . . . 1.0 . . . . . . . . . . . . A . 4 NLE H . . . . . . . . . c30642_6pv1 1 . 4 . 1610 . 1 1 4 NLE HA H -5.215 -3.806 -0.361 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HA . . . . . . . . . c30642_6pv1 1 . 4 . 1611 . 1 1 4 NLE HB2 H -6.034 -5.352 -2.822 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HB2 . . . . . . . . . c30642_6pv1 1 . 4 . 1612 . 1 1 4 NLE HB3 H -6.934 -5.254 -1.317 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HB3 . . . . . . . . . c30642_6pv1 1 . 4 . 1613 . 1 1 4 NLE HD2 H -5.846 -7.773 -2.802 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HD2 . . . . . . . . . c30642_6pv1 1 . 4 . 1614 . 1 1 4 NLE HD3 H -6.832 -7.853 -1.334 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HD3 . . . . . . . . . c30642_6pv1 1 . 4 . 1615 . 1 1 4 NLE HE1 H -4.996 -8.964 -0.166 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HE1 . . . . . . . . . c30642_6pv1 1 . 4 . 1616 . 1 1 4 NLE HE2 H -4.013 -8.886 -1.629 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HE2 . . . . . . . . . c30642_6pv1 1 . 4 . 1617 . 1 1 4 NLE HE3 H -5.477 -9.869 -1.601 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HE3 . . . . . . . . . c30642_6pv1 1 . 4 . 1618 . 1 1 4 NLE HG2 H -5.224 -6.468 -0.149 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HG2 . . . . . . . . . c30642_6pv1 1 . 4 . 1619 . 1 1 4 NLE HG3 H -4.175 -6.435 -1.569 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HG3 . . . . . . . . . c30642_6pv1 1 . 4 . 1620 . 1 1 4 NLE N N -6.015 -2.824 -1.985 . . . 1.0 . . . . . . . . . . . . A . 4 NLE N . . . . . . . . . c30642_6pv1 1 . 4 . 1621 . 1 1 4 NLE O O -3.637 -3.957 -3.198 . . . 1.0 . . . . . . . . . . . . A . 4 NLE O . . . . . . . . . c30642_6pv1 1 . 4 . 1622 . 1 1 5 CYS C C -1.178 -5.489 -1.885 . . . 1.0 . . . . . . . . . . . . A . 5 CYS C . . . . . . . . . c30642_6pv1 1 . 4 . 1623 . 1 1 5 CYS CA C -1.487 -4.055 -1.485 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CA . . . . . . . . . c30642_6pv1 1 . 4 . 1624 . 1 1 5 CYS CB C -0.564 -3.618 -0.356 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CB . . . . . . . . . c30642_6pv1 1 . 4 . 1625 . 1 1 5 CYS H H -3.104 -3.856 -0.138 . . . 1.0 . . . . . . . . . . . . A . 5 CYS H . . . . . . . . . c30642_6pv1 1 . 4 . 1626 . 1 1 5 CYS HA H -1.329 -3.414 -2.337 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HA . . . . . . . . . c30642_6pv1 1 . 4 . 1627 . 1 1 5 CYS HB2 H -0.683 -2.558 -0.190 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB2 . . . . . . . . . c30642_6pv1 1 . 4 . 1628 . 1 1 5 CYS HB3 H -0.829 -4.150 0.542 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB3 . . . . . . . . . c30642_6pv1 1 . 4 . 1629 . 1 1 5 CYS N N -2.875 -3.938 -1.091 . . . 1.0 . . . . . . . . . . . . A . 5 CYS N . . . . . . . . . c30642_6pv1 1 . 4 . 1630 . 1 1 5 CYS O O -0.993 -6.358 -1.030 . . . 1.0 . . . . . . . . . . . . A . 5 CYS O . . . . . . . . . c30642_6pv1 1 . 4 . 1631 . 1 1 5 CYS SG S 1.181 -3.930 -0.687 . . . 1.0 . . . . . . . . . . . . A . 5 CYS SG . . . . . . . . . c30642_6pv1 1 . 4 . 1632 . 1 1 6 THR C C 0.645 -7.298 -3.833 . . . 1.0 . . . . . . . . . . . . A . 6 THR C . . . . . . . . . c30642_6pv1 1 . 4 . 1633 . 1 1 6 THR CA C -0.862 -7.061 -3.697 . . . 1.0 . . . . . . . . . . . . A . 6 THR CA . . . . . . . . . c30642_6pv1 1 . 4 . 1634 . 1 1 6 THR CB C -1.568 -7.261 -5.052 . . . 1.0 . . . . . . . . . . . . A . 6 THR CB . . . . . . . . . c30642_6pv1 1 . 4 . 1635 . 1 1 6 THR CG2 C -1.713 -8.741 -5.382 . . . 1.0 . . . . . . . . . . . . A . 6 THR CG2 . . . . . . . . . c30642_6pv1 1 . 4 . 1636 . 1 1 6 THR H H -1.248 -4.990 -3.816 . . . 1.0 . . . . . . . . . . . . A . 6 THR H . . . . . . . . . c30642_6pv1 1 . 4 . 1637 . 1 1 6 THR HA H -1.267 -7.776 -2.992 . . . 1.0 . . . . . . . . . . . . A . 6 THR HA . . . . . . . . . c30642_6pv1 1 . 4 . 1638 . 1 1 6 THR HB H -0.984 -6.784 -5.827 . . . 1.0 . . . . . . . . . . . . A . 6 THR HB . . . . . . . . . c30642_6pv1 1 . 4 . 1639 . 1 1 6 THR HG1 H -3.137 -6.552 -4.080 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG1 . . . . . . . . . c30642_6pv1 1 . 4 . 1640 . 1 1 6 THR HG21 H -0.735 -9.194 -5.440 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG21 . . . . . . . . . c30642_6pv1 1 . 4 . 1641 . 1 1 6 THR HG22 H -2.217 -8.849 -6.329 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG22 . . . . . . . . . c30642_6pv1 1 . 4 . 1642 . 1 1 6 THR HG23 H -2.289 -9.227 -4.609 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG23 . . . . . . . . . c30642_6pv1 1 . 4 . 1643 . 1 1 6 THR N N -1.120 -5.730 -3.183 . . . 1.0 . . . . . . . . . . . . A . 6 THR N . . . . . . . . . c30642_6pv1 1 . 4 . 1644 . 1 1 6 THR O O 1.140 -7.713 -4.882 . . . 1.0 . . . . . . . . . . . . A . 6 THR O . . . . . . . . . c30642_6pv1 1 . 4 . 1645 . 1 1 6 THR OG1 O -2.874 -6.660 -5.002 . . . 1.0 . . . . . . . . . . . . A . 6 THR OG1 . . . . . . . . . c30642_6pv1 1 . 4 . 1646 . 1 1 7 TRP C C 2.995 -8.686 -2.197 . . . 1.0 . . . . . . . . . . . . A . 7 TRP C . . . . . . . . . c30642_6pv1 1 . 4 . 1647 . 1 1 7 TRP CA C 2.795 -7.270 -2.707 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CA . . . . . . . . . c30642_6pv1 1 . 4 . 1648 . 1 1 7 TRP CB C 3.494 -6.272 -1.780 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CB . . . . . . . . . c30642_6pv1 1 . 4 . 1649 . 1 1 7 TRP CD1 C 5.796 -7.193 -1.136 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD1 . . . . . . . . . c30642_6pv1 1 . 4 . 1650 . 1 1 7 TRP CD2 C 5.860 -5.504 -2.600 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD2 . . . . . . . . . c30642_6pv1 1 . 4 . 1651 . 1 1 7 TRP CE2 C 7.178 -5.914 -2.332 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE2 . . . . . . . . . c30642_6pv1 1 . 4 . 1652 . 1 1 7 TRP CE3 C 5.651 -4.450 -3.491 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE3 . . . . . . . . . c30642_6pv1 1 . 4 . 1653 . 1 1 7 TRP CG C 4.990 -6.340 -1.831 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CG . . . . . . . . . c30642_6pv1 1 . 4 . 1654 . 1 1 7 TRP CH2 C 8.049 -4.276 -3.794 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CH2 . . . . . . . . . c30642_6pv1 1 . 4 . 1655 . 1 1 7 TRP CZ2 C 8.282 -5.307 -2.925 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ2 . . . . . . . . . c30642_6pv1 1 . 4 . 1656 . 1 1 7 TRP CZ3 C 6.747 -3.846 -4.078 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ3 . . . . . . . . . c30642_6pv1 1 . 4 . 1657 . 1 1 7 TRP H H 0.935 -6.586 -1.992 . . . 1.0 . . . . . . . . . . . . A . 7 TRP H . . . . . . . . . c30642_6pv1 1 . 4 . 1658 . 1 1 7 TRP HA H 3.202 -7.185 -3.703 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HA . . . . . . . . . c30642_6pv1 1 . 4 . 1659 . 1 1 7 TRP HB2 H 3.200 -5.271 -2.051 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB2 . . . . . . . . . c30642_6pv1 1 . 4 . 1660 . 1 1 7 TRP HB3 H 3.189 -6.467 -0.765 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB3 . . . . . . . . . c30642_6pv1 1 . 4 . 1661 . 1 1 7 TRP HD1 H 5.434 -7.950 -0.458 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HD1 . . . . . . . . . c30642_6pv1 1 . 4 . 1662 . 1 1 7 TRP HE1 H 7.881 -7.437 -1.072 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE1 . . . . . . . . . c30642_6pv1 1 . 4 . 1663 . 1 1 7 TRP HE3 H 4.655 -4.107 -3.723 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE3 . . . . . . . . . c30642_6pv1 1 . 4 . 1664 . 1 1 7 TRP HH2 H 8.874 -3.772 -4.275 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HH2 . . . . . . . . . c30642_6pv1 1 . 4 . 1665 . 1 1 7 TRP HZ2 H 9.292 -5.626 -2.716 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ2 . . . . . . . . . c30642_6pv1 1 . 4 . 1666 . 1 1 7 TRP HZ3 H 6.605 -3.028 -4.768 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ3 . . . . . . . . . c30642_6pv1 1 . 4 . 1667 . 1 1 7 TRP N N 1.372 -6.995 -2.766 . . . 1.0 . . . . . . . . . . . . A . 7 TRP N . . . . . . . . . c30642_6pv1 1 . 4 . 1668 . 1 1 7 TRP NE1 N 7.112 -6.950 -1.439 . . . 1.0 . . . . . . . . . . . . A . 7 TRP NE1 . . . . . . . . . c30642_6pv1 1 . 4 . 1669 . 1 1 7 TRP O O 2.193 -9.167 -1.396 . . . 1.0 . . . . . . . . . . . . A . 7 TRP O . . . . . . . . . c30642_6pv1 1 . 4 . 1670 . 1 1 8 ABA C C 4.454 -10.854 -0.760 . . . 1.0 . . . . . . . . . . . . A . 8 AIB C . . . . . . . . . c30642_6pv1 1 . 4 . 1671 . 1 1 8 ABA CA C 4.362 -10.722 -2.291 . . . 1.0 . . . . . . . . . . . . A . 8 AIB CA . . . . . . . . . c30642_6pv1 1 . 4 . 1672 . 1 1 8 ABA H H 4.641 -8.876 -3.301 . . . 1.0 . . . . . . . . . . . . A . 8 AIB H . . . . . . . . . c30642_6pv1 1 . 4 . 1673 . 1 1 8 ABA N N 4.050 -9.339 -2.669 . . . 1.0 . . . . . . . . . . . . A . 8 AIB N . . . . . . . . . c30642_6pv1 1 . 4 . 1674 . 1 1 8 ABA O O 5.482 -10.538 -0.160 . . . 1.0 . . . . . . . . . . . . A . 8 AIB O . . . . . . . . . c30642_6pv1 1 . 4 . 1675 . 1 1 9 GLY C C 2.981 -10.336 2.095 . . . 1.0 . . . . . . . . . . . . A . 9 GLY C . . . . . . . . . c30642_6pv1 1 . 4 . 1676 . 1 1 9 GLY CA C 3.377 -11.551 1.286 . . . 1.0 . . . . . . . . . . . . A . 9 GLY CA . . . . . . . . . c30642_6pv1 1 . 4 . 1677 . 1 1 9 GLY H H 2.553 -11.458 -0.653 . . . 1.0 . . . . . . . . . . . . A . 9 GLY H . . . . . . . . . c30642_6pv1 1 . 4 . 1678 . 1 1 9 GLY HA2 H 2.687 -12.351 1.503 . . . 1.0 . . . . . . . . . . . . A . 9 GLY HA2 . . . . . . . . . c30642_6pv1 1 . 4 . 1679 . 1 1 9 GLY HA3 H 4.367 -11.857 1.581 . . . 1.0 . . . . . . . . . . . . A . 9 GLY HA3 . . . . . . . . . c30642_6pv1 1 . 4 . 1680 . 1 1 9 GLY N N 3.370 -11.305 -0.138 . . . 1.0 . . . . . . . . . . . . A . 9 GLY N . . . . . . . . . c30642_6pv1 1 . 4 . 1681 . 1 1 9 GLY O O 3.557 -10.070 3.151 . . . 1.0 . . . . . . . . . . . . A . 9 GLY O . . . . . . . . . c30642_6pv1 1 . 4 . 1682 . 1 1 10 CYS C C -0.011 -8.479 2.432 . . . 1.0 . . . . . . . . . . . . A . 10 CYS C . . . . . . . . . c30642_6pv1 1 . 4 . 1683 . 1 1 10 CYS CA C 1.514 -8.433 2.325 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CA . . . . . . . . . c30642_6pv1 1 . 4 . 1684 . 1 1 10 CYS CB C 1.985 -7.159 1.630 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CB . . . . . . . . . c30642_6pv1 1 . 4 . 1685 . 1 1 10 CYS H H 1.613 -9.815 0.732 . . . 1.0 . . . . . . . . . . . . A . 10 CYS H . . . . . . . . . c30642_6pv1 1 . 4 . 1686 . 1 1 10 CYS HA H 1.932 -8.463 3.317 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HA . . . . . . . . . c30642_6pv1 1 . 4 . 1687 . 1 1 10 CYS HB2 H 3.039 -7.246 1.421 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB2 . . . . . . . . . c30642_6pv1 1 . 4 . 1688 . 1 1 10 CYS HB3 H 1.450 -7.047 0.702 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB3 . . . . . . . . . c30642_6pv1 1 . 4 . 1689 . 1 1 10 CYS N N 2.004 -9.590 1.604 . . . 1.0 . . . . . . . . . . . . A . 10 CYS N . . . . . . . . . c30642_6pv1 1 . 4 . 1690 . 1 1 10 CYS O O -0.551 -8.916 3.449 . . . 1.0 . . . . . . . . . . . . A . 10 CYS O . . . . . . . . . c30642_6pv1 1 . 4 . 1691 . 1 1 10 CYS SG S 1.742 -5.652 2.592 . . . 1.0 . . . . . . . . . . . . A . 10 CYS SG . . . . . . . . . c30642_6pv1 1 . 4 . 1692 . 1 1 11 GLY C C -2.804 -7.200 2.397 . . . 1.0 . . . . . . . . . . . . A . 11 GLY C . . . . . . . . . c30642_6pv1 1 . 4 . 1693 . 1 1 11 GLY CA C -2.153 -8.114 1.373 . . . 1.0 . . . . . . . . . . . . A . 11 GLY CA . . . . . . . . . c30642_6pv1 1 . 4 . 1694 . 1 1 11 GLY H H -0.231 -7.704 0.597 . . . 1.0 . . . . . . . . . . . . A . 11 GLY H . . . . . . . . . c30642_6pv1 1 . 4 . 1695 . 1 1 11 GLY HA2 H -2.503 -7.835 0.392 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA2 . . . . . . . . . c30642_6pv1 1 . 4 . 1696 . 1 1 11 GLY HA3 H -2.455 -9.130 1.572 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA3 . . . . . . . . . c30642_6pv1 1 . 4 . 1697 . 1 1 11 GLY N N -0.705 -8.053 1.381 . . . 1.0 . . . . . . . . . . . . A . 11 GLY N . . . . . . . . . c30642_6pv1 1 . 4 . 1698 . 1 1 11 GLY O O -3.790 -7.575 3.030 . . . 1.0 . . . . . . . . . . . . A . 11 GLY O . . . . . . . . . c30642_6pv1 1 . 4 . 1699 . 1 1 12 LYS C C -3.958 -4.267 2.726 . . . 1.0 . . . . . . . . . . . . A . 12 LYS C . . . . . . . . . c30642_6pv1 1 . 4 . 1700 . 1 1 12 LYS CA C -2.857 -5.022 3.459 . . . 1.0 . . . . . . . . . . . . A . 12 LYS CA . . . . . . . . . c30642_6pv1 1 . 4 . 1701 . 1 1 12 LYS CB C -1.807 -4.042 3.994 . . . 1.0 . . . . . . . . . . . . A . 12 LYS CB . . . . . . . . . c30642_6pv1 1 . 4 . 1702 . 1 1 12 LYS CD C -1.405 -5.287 6.146 . . . 1.0 . . . . . . . . . . . . A . 12 LYS CD . . . . . . . . . c30642_6pv1 1 . 4 . 1703 . 1 1 12 LYS CE C -0.355 -5.804 7.120 . . . 1.0 . . . . . . . . . . . . A . 12 LYS CE . . . . . . . . . c30642_6pv1 1 . 4 . 1704 . 1 1 12 LYS CG C -0.770 -4.680 4.904 . . . 1.0 . . . . . . . . . . . . A . 12 LYS CG . . . . . . . . . c30642_6pv1 1 . 4 . 1705 . 1 1 12 LYS H H -1.430 -5.786 2.097 . . . 1.0 . . . . . . . . . . . . A . 12 LYS H . . . . . . . . . c30642_6pv1 1 . 4 . 1706 . 1 1 12 LYS HA H -3.298 -5.552 4.288 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HA . . . . . . . . . c30642_6pv1 1 . 4 . 1707 . 1 1 12 LYS HB2 H -1.288 -3.596 3.159 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HB2 . . . . . . . . . c30642_6pv1 1 . 4 . 1708 . 1 1 12 LYS HB3 H -2.309 -3.263 4.550 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HB3 . . . . . . . . . c30642_6pv1 1 . 4 . 1709 . 1 1 12 LYS HD2 H -1.999 -4.534 6.641 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HD2 . . . . . . . . . c30642_6pv1 1 . 4 . 1710 . 1 1 12 LYS HD3 H -2.038 -6.110 5.848 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HD3 . . . . . . . . . c30642_6pv1 1 . 4 . 1711 . 1 1 12 LYS HE2 H -0.855 -6.247 7.968 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HE2 . . . . . . . . . c30642_6pv1 1 . 4 . 1712 . 1 1 12 LYS HE3 H 0.240 -6.555 6.621 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HE3 . . . . . . . . . c30642_6pv1 1 . 4 . 1713 . 1 1 12 LYS HG2 H -0.255 -5.456 4.360 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HG2 . . . . . . . . . c30642_6pv1 1 . 4 . 1714 . 1 1 12 LYS HG3 H -0.064 -3.922 5.208 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HG3 . . . . . . . . . c30642_6pv1 1 . 4 . 1715 . 1 1 12 LYS HZ1 H 1.180 -5.086 8.337 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HZ1 . . . . . . . . . c30642_6pv1 1 . 4 . 1716 . 1 1 12 LYS HZ2 H -0.019 -3.941 8.002 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HZ2 . . . . . . . . . c30642_6pv1 1 . 4 . 1717 . 1 1 12 LYS HZ3 H 1.113 -4.352 6.818 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HZ3 . . . . . . . . . c30642_6pv1 1 . 4 . 1718 . 1 1 12 LYS N N -2.254 -6.007 2.571 . . . 1.0 . . . . . . . . . . . . A . 12 LYS N . . . . . . . . . c30642_6pv1 1 . 4 . 1719 . 1 1 12 LYS NZ N 0.541 -4.721 7.602 . . . 1.0 . . . . . . . . . . . . A . 12 LYS NZ . . . . . . . . . c30642_6pv1 1 . 4 . 1720 . 1 1 12 LYS O O -3.818 -3.951 1.543 . . . 1.0 . . . . . . . . . . . . A . 12 LYS O . . . . . . . . . c30642_6pv1 1 . 4 . 1721 . 1 1 13 ARG C C -6.370 -1.917 3.302 . . . 1.0 . . . . . . . . . . . . A . 13 ARG C . . . . . . . . . c30642_6pv1 1 . 4 . 1722 . 1 1 13 ARG CA C -6.205 -3.349 2.807 . . . 1.0 . . . . . . . . . . . . A . 13 ARG CA . . . . . . . . . c30642_6pv1 1 . 4 . 1723 . 1 1 13 ARG CB C -7.472 -4.153 3.102 . . . 1.0 . . . . . . . . . . . . A . 13 ARG CB . . . . . . . . . c30642_6pv1 1 . 4 . 1724 . 1 1 13 ARG CD C -8.685 -6.341 2.968 . . . 1.0 . . . . . . . . . . . . A . 13 ARG CD . . . . . . . . . c30642_6pv1 1 . 4 . 1725 . 1 1 13 ARG CG C -7.428 -5.581 2.584 . . . 1.0 . . . . . . . . . . . . A . 13 ARG CG . . . . . . . . . c30642_6pv1 1 . 4 . 1726 . 1 1 13 ARG CZ C -9.184 -8.730 3.331 . . . 1.0 . . . . . . . . . . . . A . 13 ARG CZ . . . . . . . . . c30642_6pv1 1 . 4 . 1727 . 1 1 13 ARG H H -5.074 -4.201 4.381 . . . 1.0 . . . . . . . . . . . . A . 13 ARG H . . . . . . . . . c30642_6pv1 1 . 4 . 1728 . 1 1 13 ARG HA H -6.041 -3.332 1.739 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HA . . . . . . . . . c30642_6pv1 1 . 4 . 1729 . 1 1 13 ARG HB2 H -7.622 -4.185 4.172 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HB2 . . . . . . . . . c30642_6pv1 1 . 4 . 1730 . 1 1 13 ARG HB3 H -8.315 -3.654 2.645 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HB3 . . . . . . . . . c30642_6pv1 1 . 4 . 1731 . 1 1 13 ARG HD2 H -8.827 -6.255 4.035 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HD2 . . . . . . . . . c30642_6pv1 1 . 4 . 1732 . 1 1 13 ARG HD3 H -9.527 -5.895 2.458 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HD3 . . . . . . . . . c30642_6pv1 1 . 4 . 1733 . 1 1 13 ARG HE H -8.109 -8.002 1.804 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HE . . . . . . . . . c30642_6pv1 1 . 4 . 1734 . 1 1 13 ARG HG2 H -7.341 -5.562 1.508 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HG2 . . . . . . . . . c30642_6pv1 1 . 4 . 1735 . 1 1 13 ARG HG3 H -6.570 -6.082 3.010 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HG3 . . . . . . . . . c30642_6pv1 1 . 4 . 1736 . 1 1 13 ARG HH11 H -10.299 -9.169 4.967 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HH11 . . . . . . . . . c30642_6pv1 1 . 4 . 1737 . 1 1 13 ARG HH12 H -9.965 -7.485 4.729 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HH12 . . . . . . . . . c30642_6pv1 1 . 4 . 1738 . 1 1 13 ARG HH21 H -8.551 -10.220 2.115 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HH21 . . . . . . . . . c30642_6pv1 1 . 4 . 1739 . 1 1 13 ARG HH22 H -9.489 -10.728 3.483 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HH22 . . . . . . . . . c30642_6pv1 1 . 4 . 1740 . 1 1 13 ARG N N -5.049 -3.986 3.424 . . . 1.0 . . . . . . . . . . . . A . 13 ARG N . . . . . . . . . c30642_6pv1 1 . 4 . 1741 . 1 1 13 ARG NE N -8.614 -7.759 2.616 . . . 1.0 . . . . . . . . . . . . A . 13 ARG NE . . . . . . . . . c30642_6pv1 1 . 4 . 1742 . 1 1 13 ARG NH1 N -9.871 -8.437 4.431 . . . 1.0 . . . . . . . . . . . . A . 13 ARG NH1 . . . . . . . . . c30642_6pv1 1 . 4 . 1743 . 1 1 13 ARG NH2 N -9.068 -9.994 2.945 . . . 1.0 . . . . . . . . . . . . A . 13 ARG NH2 . . . . . . . . . c30642_6pv1 1 . 4 . 1744 . 1 1 13 ARG O O -6.214 -1.639 4.493 . . . 1.0 . . . . . . . . . . . . A . 13 ARG O . . . . . . . . . c30642_6pv1 1 . 4 . 1745 . 1 1 14 PHE C C -8.113 0.931 2.030 . . . 1.0 . . . . . . . . . . . . A . 14 PHE C . . . . . . . . . c30642_6pv1 1 . 4 . 1746 . 1 1 14 PHE CA C -6.847 0.395 2.692 . . . 1.0 . . . . . . . . . . . . A . 14 PHE CA . . . . . . . . . c30642_6pv1 1 . 4 . 1747 . 1 1 14 PHE CB C -5.636 1.188 2.194 . . . 1.0 . . . . . . . . . . . . A . 14 PHE CB . . . . . . . . . c30642_6pv1 1 . 4 . 1748 . 1 1 14 PHE CD1 C -3.824 0.943 3.906 . . . 1.0 . . . . . . . . . . . . A . 14 PHE CD1 . . . . . . . . . c30642_6pv1 1 . 4 . 1749 . 1 1 14 PHE CD2 C -3.591 -0.206 1.833 . . . 1.0 . . . . . . . . . . . . A . 14 PHE CD2 . . . . . . . . . c30642_6pv1 1 . 4 . 1750 . 1 1 14 PHE CE1 C -2.615 0.432 4.331 . . . 1.0 . . . . . . . . . . . . A . 14 PHE CE1 . . . . . . . . . c30642_6pv1 1 . 4 . 1751 . 1 1 14 PHE CE2 C -2.381 -0.721 2.251 . . . 1.0 . . . . . . . . . . . . A . 14 PHE CE2 . . . . . . . . . c30642_6pv1 1 . 4 . 1752 . 1 1 14 PHE CG C -4.324 0.630 2.654 . . . 1.0 . . . . . . . . . . . . A . 14 PHE CG . . . . . . . . . c30642_6pv1 1 . 4 . 1753 . 1 1 14 PHE CZ C -1.900 -0.407 3.514 . . . 1.0 . . . . . . . . . . . . A . 14 PHE CZ . . . . . . . . . c30642_6pv1 1 . 4 . 1754 . 1 1 14 PHE H H -6.812 -1.314 1.450 . . . 1.0 . . . . . . . . . . . . A . 14 PHE H . . . . . . . . . c30642_6pv1 1 . 4 . 1755 . 1 1 14 PHE HA H -6.929 0.500 3.763 . . . 1.0 . . . . . . . . . . . . A . 14 PHE HA . . . . . . . . . c30642_6pv1 1 . 4 . 1756 . 1 1 14 PHE HB2 H -5.634 1.196 1.116 . . . 1.0 . . . . . . . . . . . . A . 14 PHE HB2 . . . . . . . . . c30642_6pv1 1 . 4 . 1757 . 1 1 14 PHE HB3 H -5.707 2.204 2.554 . . . 1.0 . . . . . . . . . . . . A . 14 PHE HB3 . . . . . . . . . c30642_6pv1 1 . 4 . 1758 . 1 1 14 PHE HD1 H -4.390 1.598 4.553 . . . 1.0 . . . . . . . . . . . . A . 14 PHE HD1 . . . . . . . . . c30642_6pv1 1 . 4 . 1759 . 1 1 14 PHE HD2 H -3.973 -0.455 0.856 . . . 1.0 . . . . . . . . . . . . A . 14 PHE HD2 . . . . . . . . . c30642_6pv1 1 . 4 . 1760 . 1 1 14 PHE HE1 H -2.235 0.680 5.310 . . . 1.0 . . . . . . . . . . . . A . 14 PHE HE1 . . . . . . . . . c30642_6pv1 1 . 4 . 1761 . 1 1 14 PHE HE2 H -1.818 -1.370 1.600 . . . 1.0 . . . . . . . . . . . . A . 14 PHE HE2 . . . . . . . . . c30642_6pv1 1 . 4 . 1762 . 1 1 14 PHE HZ H -0.955 -0.810 3.850 . . . 1.0 . . . . . . . . . . . . A . 14 PHE HZ . . . . . . . . . c30642_6pv1 1 . 4 . 1763 . 1 1 14 PHE N N -6.682 -1.017 2.379 . . . 1.0 . . . . . . . . . . . . A . 14 PHE N . . . . . . . . . c30642_6pv1 1 . 4 . 1764 . 1 1 14 PHE O O -8.559 0.403 1.016 . . . 1.0 . . . . . . . . . . . . A . 14 PHE O . . . . . . . . . c30642_6pv1 1 . 4 . 1765 . 1 1 15 THR C C -9.451 3.881 1.292 . . . 1.0 . . . . . . . . . . . . A . 15 THR C . . . . . . . . . c30642_6pv1 1 . 4 . 1766 . 1 1 15 THR CA C -9.865 2.606 2.029 . . . 1.0 . . . . . . . . . . . . A . 15 THR CA . . . . . . . . . c30642_6pv1 1 . 4 . 1767 . 1 1 15 THR CB C -10.900 2.947 3.120 . . . 1.0 . . . . . . . . . . . . A . 15 THR CB . . . . . . . . . c30642_6pv1 1 . 4 . 1768 . 1 1 15 THR CG2 C -12.249 3.309 2.513 . . . 1.0 . . . . . . . . . . . . A . 15 THR CG2 . . . . . . . . . c30642_6pv1 1 . 4 . 1769 . 1 1 15 THR H H -8.333 2.306 3.458 . . . 1.0 . . . . . . . . . . . . A . 15 THR H . . . . . . . . . c30642_6pv1 1 . 4 . 1770 . 1 1 15 THR HA H -10.313 1.919 1.327 . . . 1.0 . . . . . . . . . . . . A . 15 THR HA . . . . . . . . . c30642_6pv1 1 . 4 . 1771 . 1 1 15 THR HB H -10.536 3.791 3.690 . . . 1.0 . . . . . . . . . . . . A . 15 THR HB . . . . . . . . . c30642_6pv1 1 . 4 . 1772 . 1 1 15 THR HG1 H -10.393 1.154 3.784 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG1 . . . . . . . . . c30642_6pv1 1 . 4 . 1773 . 1 1 15 THR HG21 H -12.938 3.578 3.299 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG21 . . . . . . . . . c30642_6pv1 1 . 4 . 1774 . 1 1 15 THR HG22 H -12.639 2.461 1.969 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG22 . . . . . . . . . c30642_6pv1 1 . 4 . 1775 . 1 1 15 THR HG23 H -12.127 4.144 1.839 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG23 . . . . . . . . . c30642_6pv1 1 . 4 . 1776 . 1 1 15 THR N N -8.694 1.966 2.611 . . . 1.0 . . . . . . . . . . . . A . 15 THR N . . . . . . . . . c30642_6pv1 1 . 4 . 1777 . 1 1 15 THR O O -10.246 4.505 0.588 . . . 1.0 . . . . . . . . . . . . A . 15 THR O . . . . . . . . . c30642_6pv1 1 . 4 . 1778 . 1 1 15 THR OG1 O -11.062 1.824 3.998 . . . 1.0 . . . . . . . . . . . . A . 15 THR OG1 . . . . . . . . . c30642_6pv1 1 . 4 . 1779 . 1 1 16 ARG C C -6.603 5.051 -0.208 . . . 1.0 . . . . . . . . . . . . A . 16 ARG C . . . . . . . . . c30642_6pv1 1 . 4 . 1780 . 1 1 16 ARG CA C -7.655 5.444 0.821 . . . 1.0 . . . . . . . . . . . . A . 16 ARG CA . . . . . . . . . c30642_6pv1 1 . 4 . 1781 . 1 1 16 ARG CB C -7.015 6.352 1.868 . . . 1.0 . . . . . . . . . . . . A . 16 ARG CB . . . . . . . . . c30642_6pv1 1 . 4 . 1782 . 1 1 16 ARG CD C -7.131 7.309 4.182 . . . 1.0 . . . . . . . . . . . . A . 16 ARG CD . . . . . . . . . c30642_6pv1 1 . 4 . 1783 . 1 1 16 ARG CG C -7.921 6.696 3.036 . . . 1.0 . . . . . . . . . . . . A . 16 ARG CG . . . . . . . . . c30642_6pv1 1 . 4 . 1784 . 1 1 16 ARG CZ C -7.573 7.611 6.588 . . . 1.0 . . . . . . . . . . . . A . 16 ARG CZ . . . . . . . . . c30642_6pv1 1 . 4 . 1785 . 1 1 16 ARG H H -7.607 3.712 2.024 . . . 1.0 . . . . . . . . . . . . A . 16 ARG H . . . . . . . . . c30642_6pv1 1 . 4 . 1786 . 1 1 16 ARG HA H -8.462 5.965 0.332 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HA . . . . . . . . . c30642_6pv1 1 . 4 . 1787 . 1 1 16 ARG HB2 H -6.143 5.857 2.257 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HB2 . . . . . . . . . c30642_6pv1 1 . 4 . 1788 . 1 1 16 ARG HB3 H -6.712 7.273 1.393 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HB3 . . . . . . . . . c30642_6pv1 1 . 4 . 1789 . 1 1 16 ARG HD2 H -6.378 6.605 4.503 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HD2 . . . . . . . . . c30642_6pv1 1 . 4 . 1790 . 1 1 16 ARG HD3 H -6.653 8.210 3.831 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HD3 . . . . . . . . . c30642_6pv1 1 . 4 . 1791 . 1 1 16 ARG HE H -8.910 7.902 5.125 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HE . . . . . . . . . c30642_6pv1 1 . 4 . 1792 . 1 1 16 ARG HG2 H -8.668 7.401 2.706 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HG2 . . . . . . . . . c30642_6pv1 1 . 4 . 1793 . 1 1 16 ARG HG3 H -8.401 5.795 3.381 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HG3 . . . . . . . . . c30642_6pv1 1 . 4 . 1794 . 1 1 16 ARG HH11 H -5.673 7.028 6.156 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HH11 . . . . . . . . . c30642_6pv1 1 . 4 . 1795 . 1 1 16 ARG HH12 H -6.022 7.242 7.840 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HH12 . . . . . . . . . c30642_6pv1 1 . 4 . 1796 . 1 1 16 ARG HH21 H -9.355 8.213 7.342 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HH21 . . . . . . . . . c30642_6pv1 1 . 4 . 1797 . 1 1 16 ARG HH22 H -8.115 7.916 8.515 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HH22 . . . . . . . . . c30642_6pv1 1 . 4 . 1798 . 1 1 16 ARG N N -8.194 4.254 1.457 . . . 1.0 . . . . . . . . . . . . A . 16 ARG N . . . . . . . . . c30642_6pv1 1 . 4 . 1799 . 1 1 16 ARG NE N -7.982 7.639 5.320 . . . 1.0 . . . . . . . . . . . . A . 16 ARG NE . . . . . . . . . c30642_6pv1 1 . 4 . 1800 . 1 1 16 ARG NH1 N -6.323 7.268 6.885 . . . 1.0 . . . . . . . . . . . . A . 16 ARG NH1 . . . . . . . . . c30642_6pv1 1 . 4 . 1801 . 1 1 16 ARG NH2 N -8.414 7.941 7.559 . . . 1.0 . . . . . . . . . . . . A . 16 ARG NH2 . . . . . . . . . c30642_6pv1 1 . 4 . 1802 . 1 1 16 ARG O O -5.708 4.252 0.082 . . . 1.0 . . . . . . . . . . . . A . 16 ARG O . . . . . . . . . c30642_6pv1 1 . 4 . 1803 . 1 1 17 SER C C -4.402 5.949 -2.147 . . . 1.0 . . . . . . . . . . . . A . 17 SER C . . . . . . . . . c30642_6pv1 1 . 4 . 1804 . 1 1 17 SER CA C -5.755 5.331 -2.463 . . . 1.0 . . . . . . . . . . . . A . 17 SER CA . . . . . . . . . c30642_6pv1 1 . 4 . 1805 . 1 1 17 SER CB C -6.288 5.863 -3.793 . . . 1.0 . . . . . . . . . . . . A . 17 SER CB . . . . . . . . . c30642_6pv1 1 . 4 . 1806 . 1 1 17 SER H H -7.436 6.253 -1.574 . . . 1.0 . . . . . . . . . . . . A . 17 SER H . . . . . . . . . c30642_6pv1 1 . 4 . 1807 . 1 1 17 SER HA H -5.643 4.258 -2.529 . . . 1.0 . . . . . . . . . . . . A . 17 SER HA . . . . . . . . . c30642_6pv1 1 . 4 . 1808 . 1 1 17 SER HB2 H -5.499 5.850 -4.526 . . . 1.0 . . . . . . . . . . . . A . 17 SER HB2 . . . . . . . . . c30642_6pv1 1 . 4 . 1809 . 1 1 17 SER HB3 H -7.104 5.238 -4.128 . . . 1.0 . . . . . . . . . . . . A . 17 SER HB3 . . . . . . . . . c30642_6pv1 1 . 4 . 1810 . 1 1 17 SER HG H -7.689 7.229 -3.917 . . . 1.0 . . . . . . . . . . . . A . 17 SER HG . . . . . . . . . c30642_6pv1 1 . 4 . 1811 . 1 1 17 SER N N -6.706 5.617 -1.401 . . . 1.0 . . . . . . . . . . . . A . 17 SER N . . . . . . . . . c30642_6pv1 1 . 4 . 1812 . 1 1 17 SER O O -3.354 5.393 -2.475 . . . 1.0 . . . . . . . . . . . . A . 17 SER O . . . . . . . . . c30642_6pv1 1 . 4 . 1813 . 1 1 17 SER OG O -6.760 7.192 -3.650 . . . 1.0 . . . . . . . . . . . . A . 17 SER OG . . . . . . . . . c30642_6pv1 1 . 4 . 1814 . 1 1 18 ASP C C -2.551 7.066 0.075 . . . 1.0 . . . . . . . . . . . . A . 18 ASP C . . . . . . . . . c30642_6pv1 1 . 4 . 1815 . 1 1 18 ASP CA C -3.211 7.784 -1.097 . . . 1.0 . . . . . . . . . . . . A . 18 ASP CA . . . . . . . . . c30642_6pv1 1 . 4 . 1816 . 1 1 18 ASP CB C -3.491 9.248 -0.744 . . . 1.0 . . . . . . . . . . . . A . 18 ASP CB . . . . . . . . . c30642_6pv1 1 . 4 . 1817 . 1 1 18 ASP CG C -4.367 9.407 0.481 . . . 1.0 . . . . . . . . . . . . A . 18 ASP CG . . . . . . . . . c30642_6pv1 1 . 4 . 1818 . 1 1 18 ASP H H -5.301 7.502 -1.273 . . . 1.0 . . . . . . . . . . . . A . 18 ASP H . . . . . . . . . c30642_6pv1 1 . 4 . 1819 . 1 1 18 ASP HA H -2.536 7.753 -1.939 . . . 1.0 . . . . . . . . . . . . A . 18 ASP HA . . . . . . . . . c30642_6pv1 1 . 4 . 1820 . 1 1 18 ASP HB2 H -2.555 9.748 -0.555 . . . 1.0 . . . . . . . . . . . . A . 18 ASP HB2 . . . . . . . . . c30642_6pv1 1 . 4 . 1821 . 1 1 18 ASP HB3 H -3.983 9.722 -1.580 . . . 1.0 . . . . . . . . . . . . A . 18 ASP HB3 . . . . . . . . . c30642_6pv1 1 . 4 . 1822 . 1 1 18 ASP N N -4.432 7.099 -1.491 . . . 1.0 . . . . . . . . . . . . A . 18 ASP N . . . . . . . . . c30642_6pv1 1 . 4 . 1823 . 1 1 18 ASP O O -1.334 7.114 0.236 . . . 1.0 . . . . . . . . . . . . A . 18 ASP O . . . . . . . . . c30642_6pv1 1 . 4 . 1824 . 1 1 18 ASP OD1 O -5.607 9.289 0.355 . . . 1.0 . . . . . . . . . . . . A . 18 ASP OD1 . . . . . . . . . c30642_6pv1 1 . 4 . 1825 . 1 1 18 ASP OD2 O -3.822 9.664 1.572 . . . 1.0 . . . . . . . . . . . . A . 18 ASP OD2 . . . . . . . . . c30642_6pv1 1 . 4 . 1826 . 1 1 19 GLU C C -2.109 4.369 1.413 . . . 1.0 . . . . . . . . . . . . A . 19 GLU C . . . . . . . . . c30642_6pv1 1 . 4 . 1827 . 1 1 19 GLU CA C -2.854 5.572 1.975 . . . 1.0 . . . . . . . . . . . . A . 19 GLU CA . . . . . . . . . c30642_6pv1 1 . 4 . 1828 . 1 1 19 GLU CB C -3.995 5.102 2.878 . . . 1.0 . . . . . . . . . . . . A . 19 GLU CB . . . . . . . . . c30642_6pv1 1 . 4 . 1829 . 1 1 19 GLU CD C -2.985 5.285 5.189 . . . 1.0 . . . . . . . . . . . . A . 19 GLU CD . . . . . . . . . c30642_6pv1 1 . 4 . 1830 . 1 1 19 GLU CG C -3.538 4.363 4.122 . . . 1.0 . . . . . . . . . . . . A . 19 GLU CG . . . . . . . . . c30642_6pv1 1 . 4 . 1831 . 1 1 19 GLU H H -4.327 6.441 0.731 . . . 1.0 . . . . . . . . . . . . A . 19 GLU H . . . . . . . . . c30642_6pv1 1 . 4 . 1832 . 1 1 19 GLU HA H -2.168 6.174 2.549 . . . 1.0 . . . . . . . . . . . . A . 19 GLU HA . . . . . . . . . c30642_6pv1 1 . 4 . 1833 . 1 1 19 GLU HB2 H -4.563 5.963 3.193 . . . 1.0 . . . . . . . . . . . . A . 19 GLU HB2 . . . . . . . . . c30642_6pv1 1 . 4 . 1834 . 1 1 19 GLU HB3 H -4.638 4.444 2.314 . . . 1.0 . . . . . . . . . . . . A . 19 GLU HB3 . . . . . . . . . c30642_6pv1 1 . 4 . 1835 . 1 1 19 GLU HG2 H -4.380 3.830 4.534 . . . 1.0 . . . . . . . . . . . . A . 19 GLU HG2 . . . . . . . . . c30642_6pv1 1 . 4 . 1836 . 1 1 19 GLU HG3 H -2.770 3.658 3.842 . . . 1.0 . . . . . . . . . . . . A . 19 GLU HG3 . . . . . . . . . c30642_6pv1 1 . 4 . 1837 . 1 1 19 GLU N N -3.363 6.387 0.878 . . . 1.0 . . . . . . . . . . . . A . 19 GLU N . . . . . . . . . c30642_6pv1 1 . 4 . 1838 . 1 1 19 GLU O O -1.038 4.011 1.894 . . . 1.0 . . . . . . . . . . . . A . 19 GLU O . . . . . . . . . c30642_6pv1 1 . 4 . 1839 . 1 1 19 GLU OE1 O -3.791 5.845 5.961 . . . 1.0 . . . . . . . . . . . . A . 19 GLU OE1 . . . . . . . . . c30642_6pv1 1 . 4 . 1840 . 1 1 19 GLU OE2 O -1.748 5.444 5.271 . . . 1.0 . . . . . . . . . . . . A . 19 GLU OE2 . . . . . . . . . c30642_6pv1 1 . 4 . 1841 . 1 1 20 LEU C C -0.722 3.110 -0.938 . . . 1.0 . . . . . . . . . . . . A . 20 LEU C . . . . . . . . . c30642_6pv1 1 . 4 . 1842 . 1 1 20 LEU CA C -2.039 2.652 -0.317 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CA . . . . . . . . . c30642_6pv1 1 . 4 . 1843 . 1 1 20 LEU CB C -2.965 2.091 -1.400 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CB . . . . . . . . . c30642_6pv1 1 . 4 . 1844 . 1 1 20 LEU CD1 C -1.890 -0.175 -1.576 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CD1 . . . . . . . . . c30642_6pv1 1 . 4 . 1845 . 1 1 20 LEU CD2 C -3.269 0.698 -3.469 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CD2 . . . . . . . . . c30642_6pv1 1 . 4 . 1846 . 1 1 20 LEU CG C -2.318 1.068 -2.340 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CG . . . . . . . . . c30642_6pv1 1 . 4 . 1847 . 1 1 20 LEU H H -3.583 4.038 0.099 . . . 1.0 . . . . . . . . . . . . A . 20 LEU H . . . . . . . . . c30642_6pv1 1 . 4 . 1848 . 1 1 20 LEU HA H -1.830 1.876 0.404 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HA . . . . . . . . . c30642_6pv1 1 . 4 . 1849 . 1 1 20 LEU HB2 H -3.808 1.623 -0.913 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HB2 . . . . . . . . . c30642_6pv1 1 . 4 . 1850 . 1 1 20 LEU HB3 H -3.326 2.916 -1.994 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HB3 . . . . . . . . . c30642_6pv1 1 . 4 . 1851 . 1 1 20 LEU HD11 H -1.179 0.098 -0.810 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD11 . . . . . . . . . c30642_6pv1 1 . 4 . 1852 . 1 1 20 LEU HD12 H -1.432 -0.877 -2.257 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD12 . . . . . . . . . c30642_6pv1 1 . 4 . 1853 . 1 1 20 LEU HD13 H -2.755 -0.632 -1.118 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD13 . . . . . . . . . c30642_6pv1 1 . 4 . 1854 . 1 1 20 LEU HD21 H -4.116 0.166 -3.066 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD21 . . . . . . . . . c30642_6pv1 1 . 4 . 1855 . 1 1 20 LEU HD22 H -2.754 0.071 -4.181 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD22 . . . . . . . . . c30642_6pv1 1 . 4 . 1856 . 1 1 20 LEU HD23 H -3.611 1.597 -3.962 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD23 . . . . . . . . . c30642_6pv1 1 . 4 . 1857 . 1 1 20 LEU HG H -1.434 1.507 -2.778 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HG . . . . . . . . . c30642_6pv1 1 . 4 . 1858 . 1 1 20 LEU N N -2.687 3.753 0.384 . . . 1.0 . . . . . . . . . . . . A . 20 LEU N . . . . . . . . . c30642_6pv1 1 . 4 . 1859 . 1 1 20 LEU O O 0.293 2.422 -0.836 . . . 1.0 . . . . . . . . . . . . A . 20 LEU O . . . . . . . . . c30642_6pv1 1 . 4 . 1860 . 1 1 21 GLN C C 1.511 5.075 -1.059 . . . 1.0 . . . . . . . . . . . . A . 21 GLN C . . . . . . . . . c30642_6pv1 1 . 4 . 1861 . 1 1 21 GLN CA C 0.467 4.854 -2.149 . . . 1.0 . . . . . . . . . . . . A . 21 GLN CA . . . . . . . . . c30642_6pv1 1 . 4 . 1862 . 1 1 21 GLN CB C 0.153 6.180 -2.845 . . . 1.0 . . . . . . . . . . . . A . 21 GLN CB . . . . . . . . . c30642_6pv1 1 . 4 . 1863 . 1 1 21 GLN CD C -1.023 7.368 -4.737 . . . 1.0 . . . . . . . . . . . . A . 21 GLN CD . . . . . . . . . c30642_6pv1 1 . 4 . 1864 . 1 1 21 GLN CG C -0.639 6.032 -4.134 . . . 1.0 . . . . . . . . . . . . A . 21 GLN CG . . . . . . . . . c30642_6pv1 1 . 4 . 1865 . 1 1 21 GLN H H -1.603 4.741 -1.685 . . . 1.0 . . . . . . . . . . . . A . 21 GLN H . . . . . . . . . c30642_6pv1 1 . 4 . 1866 . 1 1 21 GLN HA H 0.861 4.157 -2.873 . . . 1.0 . . . . . . . . . . . . A . 21 GLN HA . . . . . . . . . c30642_6pv1 1 . 4 . 1867 . 1 1 21 GLN HB2 H -0.416 6.800 -2.168 . . . 1.0 . . . . . . . . . . . . A . 21 GLN HB2 . . . . . . . . . c30642_6pv1 1 . 4 . 1868 . 1 1 21 GLN HB3 H 1.083 6.679 -3.076 . . . 1.0 . . . . . . . . . . . . A . 21 GLN HB3 . . . . . . . . . c30642_6pv1 1 . 4 . 1869 . 1 1 21 GLN HE21 H -2.753 7.335 -3.770 . . . 1.0 . . . . . . . . . . . . A . 21 GLN HE21 . . . . . . . . . c30642_6pv1 1 . 4 . 1870 . 1 1 21 GLN HE22 H -2.477 8.720 -4.768 . . . 1.0 . . . . . . . . . . . . A . 21 GLN HE22 . . . . . . . . . c30642_6pv1 1 . 4 . 1871 . 1 1 21 GLN HG2 H -0.039 5.492 -4.851 . . . 1.0 . . . . . . . . . . . . A . 21 GLN HG2 . . . . . . . . . c30642_6pv1 1 . 4 . 1872 . 1 1 21 GLN HG3 H -1.540 5.475 -3.927 . . . 1.0 . . . . . . . . . . . . A . 21 GLN HG3 . . . . . . . . . c30642_6pv1 1 . 4 . 1873 . 1 1 21 GLN N N -0.746 4.270 -1.582 . . . 1.0 . . . . . . . . . . . . A . 21 GLN N . . . . . . . . . c30642_6pv1 1 . 4 . 1874 . 1 1 21 GLN NE2 N -2.200 7.857 -4.388 . . . 1.0 . . . . . . . . . . . . A . 21 GLN NE2 . . . . . . . . . c30642_6pv1 1 . 4 . 1875 . 1 1 21 GLN O O 2.672 4.682 -1.203 . . . 1.0 . . . . . . . . . . . . A . 21 GLN O . . . . . . . . . c30642_6pv1 1 . 4 . 1876 . 1 1 21 GLN OE1 O -0.271 7.953 -5.518 . . . 1.0 . . . . . . . . . . . . A . 21 GLN OE1 . . . . . . . . . c30642_6pv1 1 . 4 . 1877 . 1 1 22 ARG C C 2.502 4.622 1.705 . . . 1.0 . . . . . . . . . . . . A . 22 ARG C . . . . . . . . . c30642_6pv1 1 . 4 . 1878 . 1 1 22 ARG CA C 1.923 5.934 1.191 . . . 1.0 . . . . . . . . . . . . A . 22 ARG CA . . . . . . . . . c30642_6pv1 1 . 4 . 1879 . 1 1 22 ARG CB C 1.101 6.614 2.288 . . . 1.0 . . . . . . . . . . . . A . 22 ARG CB . . . . . . . . . c30642_6pv1 1 . 4 . 1880 . 1 1 22 ARG CD C 0.954 7.442 4.646 . . . 1.0 . . . . . . . . . . . . A . 22 ARG CD . . . . . . . . . c30642_6pv1 1 . 4 . 1881 . 1 1 22 ARG CG C 1.877 6.919 3.557 . . . 1.0 . . . . . . . . . . . . A . 22 ARG CG . . . . . . . . . c30642_6pv1 1 . 4 . 1882 . 1 1 22 ARG CZ C -0.913 9.063 4.662 . . . 1.0 . . . . . . . . . . . . A . 22 ARG CZ . . . . . . . . . c30642_6pv1 1 . 4 . 1883 . 1 1 22 ARG H H 0.142 5.997 0.062 . . . 1.0 . . . . . . . . . . . . A . 22 ARG H . . . . . . . . . c30642_6pv1 1 . 4 . 1884 . 1 1 22 ARG HA H 2.727 6.585 0.890 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HA . . . . . . . . . c30642_6pv1 1 . 4 . 1885 . 1 1 22 ARG HB2 H 0.712 7.543 1.903 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HB2 . . . . . . . . . c30642_6pv1 1 . 4 . 1886 . 1 1 22 ARG HB3 H 0.274 5.971 2.547 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HB3 . . . . . . . . . c30642_6pv1 1 . 4 . 1887 . 1 1 22 ARG HD2 H 0.190 6.705 4.841 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HD2 . . . . . . . . . c30642_6pv1 1 . 4 . 1888 . 1 1 22 ARG HD3 H 1.534 7.602 5.543 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HD3 . . . . . . . . . c30642_6pv1 1 . 4 . 1889 . 1 1 22 ARG HE H 0.834 9.326 3.717 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HE . . . . . . . . . c30642_6pv1 1 . 4 . 1890 . 1 1 22 ARG HG2 H 2.354 6.014 3.904 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HG2 . . . . . . . . . c30642_6pv1 1 . 4 . 1891 . 1 1 22 ARG HG3 H 2.627 7.666 3.341 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HG3 . . . . . . . . . c30642_6pv1 1 . 4 . 1892 . 1 1 22 ARG HH11 H -2.600 8.497 5.634 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HH11 . . . . . . . . . c30642_6pv1 1 . 4 . 1893 . 1 1 22 ARG HH12 H -1.359 7.286 5.538 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HH12 . . . . . . . . . c30642_6pv1 1 . 4 . 1894 . 1 1 22 ARG HH21 H -2.302 10.539 4.641 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HH21 . . . . . . . . . c30642_6pv1 1 . 4 . 1895 . 1 1 22 ARG HH22 H -0.825 10.893 3.802 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HH22 . . . . . . . . . c30642_6pv1 1 . 4 . 1896 . 1 1 22 ARG N N 1.074 5.692 0.033 . . . 1.0 . . . . . . . . . . . . A . 22 ARG N . . . . . . . . . c30642_6pv1 1 . 4 . 1897 . 1 1 22 ARG NE N 0.311 8.701 4.269 . . . 1.0 . . . . . . . . . . . . A . 22 ARG NE . . . . . . . . . c30642_6pv1 1 . 4 . 1898 . 1 1 22 ARG NH1 N -1.682 8.217 5.338 . . . 1.0 . . . . . . . . . . . . A . 22 ARG NH1 . . . . . . . . . c30642_6pv1 1 . 4 . 1899 . 1 1 22 ARG NH2 N -1.383 10.262 4.346 . . . 1.0 . . . . . . . . . . . . A . 22 ARG NH2 . . . . . . . . . c30642_6pv1 1 . 4 . 1900 . 1 1 22 ARG O O 3.679 4.535 2.054 . . . 1.0 . . . . . . . . . . . . A . 22 ARG O . . . . . . . . . c30642_6pv1 1 . 4 . 1901 . 1 1 23 HIS C C 3.108 1.670 1.254 . . . 1.0 . . . . . . . . . . . . A . 23 HIS C . . . . . . . . . c30642_6pv1 1 . 4 . 1902 . 1 1 23 HIS CA C 2.064 2.284 2.186 . . . 1.0 . . . . . . . . . . . . A . 23 HIS CA . . . . . . . . . c30642_6pv1 1 . 4 . 1903 . 1 1 23 HIS CB C 0.843 1.363 2.309 . . . 1.0 . . . . . . . . . . . . A . 23 HIS CB . . . . . . . . . c30642_6pv1 1 . 4 . 1904 . 1 1 23 HIS CD2 C 1.412 -1.027 1.568 . . . 1.0 . . . . . . . . . . . . A . 23 HIS CD2 . . . . . . . . . c30642_6pv1 1 . 4 . 1905 . 1 1 23 HIS CE1 C 1.884 -1.918 3.494 . . . 1.0 . . . . . . . . . . . . A . 23 HIS CE1 . . . . . . . . . c30642_6pv1 1 . 4 . 1906 . 1 1 23 HIS CG C 1.212 -0.069 2.498 . . . 1.0 . . . . . . . . . . . . A . 23 HIS CG . . . . . . . . . c30642_6pv1 1 . 4 . 1907 . 1 1 23 HIS H H 0.737 3.736 1.425 . . . 1.0 . . . . . . . . . . . . A . 23 HIS H . . . . . . . . . c30642_6pv1 1 . 4 . 1908 . 1 1 23 HIS HA H 2.506 2.402 3.163 . . . 1.0 . . . . . . . . . . . . A . 23 HIS HA . . . . . . . . . c30642_6pv1 1 . 4 . 1909 . 1 1 23 HIS HB2 H 0.244 1.668 3.152 . . . 1.0 . . . . . . . . . . . . A . 23 HIS HB2 . . . . . . . . . c30642_6pv1 1 . 4 . 1910 . 1 1 23 HIS HB3 H 0.253 1.437 1.407 . . . 1.0 . . . . . . . . . . . . A . 23 HIS HB3 . . . . . . . . . c30642_6pv1 1 . 4 . 1911 . 1 1 23 HIS HD1 H 1.447 -0.216 4.606 . . . 1.0 . . . . . . . . . . . . A . 23 HIS HD1 . . . . . . . . . c30642_6pv1 1 . 4 . 1912 . 1 1 23 HIS HD2 H 1.250 -0.933 0.506 . . . 1.0 . . . . . . . . . . . . A . 23 HIS HD2 . . . . . . . . . c30642_6pv1 1 . 4 . 1913 . 1 1 23 HIS HE1 H 2.181 -2.627 4.249 . . . 1.0 . . . . . . . . . . . . A . 23 HIS HE1 . . . . . . . . . c30642_6pv1 1 . 4 . 1914 . 1 1 23 HIS N N 1.662 3.599 1.727 . . . 1.0 . . . . . . . . . . . . A . 23 HIS N . . . . . . . . . c30642_6pv1 1 . 4 . 1915 . 1 1 23 HIS ND1 N 1.506 -0.651 3.726 . . . 1.0 . . . . . . . . . . . . A . 23 HIS ND1 . . . . . . . . . c30642_6pv1 1 . 4 . 1916 . 1 1 23 HIS NE2 N 1.838 -2.158 2.211 . . . 1.0 . . . . . . . . . . . . A . 23 HIS NE2 . . . . . . . . . c30642_6pv1 1 . 4 . 1917 . 1 1 23 HIS O O 4.100 1.118 1.718 . . . 1.0 . . . . . . . . . . . . A . 23 HIS O . . . . . . . . . c30642_6pv1 1 . 4 . 1918 . 1 1 24 LYS C C 5.226 1.747 -0.842 . . . 1.0 . . . . . . . . . . . . A . 24 LYS C . . . . . . . . . c30642_6pv1 1 . 4 . 1919 . 1 1 24 LYS CA C 3.810 1.211 -1.041 . . . 1.0 . . . . . . . . . . . . A . 24 LYS CA . . . . . . . . . c30642_6pv1 1 . 4 . 1920 . 1 1 24 LYS CB C 3.345 1.515 -2.470 . . . 1.0 . . . . . . . . . . . . A . 24 LYS CB . . . . . . . . . c30642_6pv1 1 . 4 . 1921 . 1 1 24 LYS CD C 1.712 1.121 -4.333 . . . 1.0 . . . . . . . . . . . . A . 24 LYS CD . . . . . . . . . c30642_6pv1 1 . 4 . 1922 . 1 1 24 LYS CE C 0.528 0.307 -4.835 . . . 1.0 . . . . . . . . . . . . A . 24 LYS CE . . . . . . . . . c30642_6pv1 1 . 4 . 1923 . 1 1 24 LYS CG C 2.127 0.720 -2.925 . . . 1.0 . . . . . . . . . . . . A . 24 LYS CG . . . . . . . . . c30642_6pv1 1 . 4 . 1924 . 1 1 24 LYS H H 2.073 2.238 -0.363 . . . 1.0 . . . . . . . . . . . . A . 24 LYS H . . . . . . . . . c30642_6pv1 1 . 4 . 1925 . 1 1 24 LYS HA H 3.826 0.141 -0.899 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HA . . . . . . . . . c30642_6pv1 1 . 4 . 1926 . 1 1 24 LYS HB2 H 3.104 2.565 -2.539 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HB2 . . . . . . . . . c30642_6pv1 1 . 4 . 1927 . 1 1 24 LYS HB3 H 4.159 1.300 -3.147 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HB3 . . . . . . . . . c30642_6pv1 1 . 4 . 1928 . 1 1 24 LYS HD2 H 1.440 2.164 -4.332 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HD2 . . . . . . . . . c30642_6pv1 1 . 4 . 1929 . 1 1 24 LYS HD3 H 2.549 0.968 -4.998 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HD3 . . . . . . . . . c30642_6pv1 1 . 4 . 1930 . 1 1 24 LYS HE2 H -0.256 0.341 -4.093 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HE2 . . . . . . . . . c30642_6pv1 1 . 4 . 1931 . 1 1 24 LYS HE3 H 0.171 0.748 -5.754 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HE3 . . . . . . . . . c30642_6pv1 1 . 4 . 1932 . 1 1 24 LYS HG2 H 2.369 -0.332 -2.916 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HG2 . . . . . . . . . c30642_6pv1 1 . 4 . 1933 . 1 1 24 LYS HG3 H 1.307 0.911 -2.248 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HG3 . . . . . . . . . c30642_6pv1 1 . 4 . 1934 . 1 1 24 LYS HZ1 H 0.048 -1.642 -5.417 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HZ1 . . . . . . . . . c30642_6pv1 1 . 4 . 1935 . 1 1 24 LYS HZ2 H 1.236 -1.561 -4.218 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HZ2 . . . . . . . . . c30642_6pv1 1 . 4 . 1936 . 1 1 24 LYS HZ3 H 1.625 -1.177 -5.817 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HZ3 . . . . . . . . . c30642_6pv1 1 . 4 . 1937 . 1 1 24 LYS N N 2.885 1.774 -0.053 . . . 1.0 . . . . . . . . . . . . A . 24 LYS N . . . . . . . . . c30642_6pv1 1 . 4 . 1938 . 1 1 24 LYS NZ N 0.885 -1.117 -5.089 . . . 1.0 . . . . . . . . . . . . A . 24 LYS NZ . . . . . . . . . c30642_6pv1 1 . 4 . 1939 . 1 1 24 LYS O O 6.211 1.072 -1.169 . . . 1.0 . . . . . . . . . . . . A . 24 LYS O . . . . . . . . . c30642_6pv1 1 . 4 . 1940 . 1 1 25 ARG C C 7.453 2.754 0.948 . . . 1.0 . . . . . . . . . . . . A . 25 ARG C . . . . . . . . . c30642_6pv1 1 . 4 . 1941 . 1 1 25 ARG CA C 6.614 3.576 -0.032 . . . 1.0 . . . . . . . . . . . . A . 25 ARG CA . . . . . . . . . c30642_6pv1 1 . 4 . 1942 . 1 1 25 ARG CB C 6.424 4.995 0.507 . . . 1.0 . . . . . . . . . . . . A . 25 ARG CB . . . . . . . . . c30642_6pv1 1 . 4 . 1943 . 1 1 25 ARG CD C 5.537 7.315 0.130 . . . 1.0 . . . . . . . . . . . . A . 25 ARG CD . . . . . . . . . c30642_6pv1 1 . 4 . 1944 . 1 1 25 ARG CG C 5.628 5.899 -0.418 . . . 1.0 . . . . . . . . . . . . A . 25 ARG CG . . . . . . . . . c30642_6pv1 1 . 4 . 1945 . 1 1 25 ARG CZ C 7.334 8.694 1.119 . . . 1.0 . . . . . . . . . . . . A . 25 ARG CZ . . . . . . . . . c30642_6pv1 1 . 4 . 1946 . 1 1 25 ARG H H 4.503 3.428 -0.030 . . . 1.0 . . . . . . . . . . . . A . 25 ARG H . . . . . . . . . c30642_6pv1 1 . 4 . 1947 . 1 1 25 ARG HA H 7.139 3.628 -0.972 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HA . . . . . . . . . c30642_6pv1 1 . 4 . 1948 . 1 1 25 ARG HB2 H 5.904 4.939 1.452 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HB2 . . . . . . . . . c30642_6pv1 1 . 4 . 1949 . 1 1 25 ARG HB3 H 7.394 5.441 0.667 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HB3 . . . . . . . . . c30642_6pv1 1 . 4 . 1950 . 1 1 25 ARG HD2 H 4.829 7.874 -0.462 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HD2 . . . . . . . . . c30642_6pv1 1 . 4 . 1951 . 1 1 25 ARG HD3 H 5.191 7.268 1.152 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HD3 . . . . . . . . . c30642_6pv1 1 . 4 . 1952 . 1 1 25 ARG HE H 7.334 7.963 -0.745 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HE . . . . . . . . . c30642_6pv1 1 . 4 . 1953 . 1 1 25 ARG HG2 H 6.112 5.925 -1.383 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HG2 . . . . . . . . . c30642_6pv1 1 . 4 . 1954 . 1 1 25 ARG HG3 H 4.629 5.500 -0.527 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HG3 . . . . . . . . . c30642_6pv1 1 . 4 . 1955 . 1 1 25 ARG HH11 H 7.075 9.270 3.044 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HH11 . . . . . . . . . c30642_6pv1 1 . 4 . 1956 . 1 1 25 ARG HH12 H 5.817 8.274 2.397 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HH12 . . . . . . . . . c30642_6pv1 1 . 4 . 1957 . 1 1 25 ARG HH21 H 8.986 9.287 0.105 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HH21 . . . . . . . . . c30642_6pv1 1 . 4 . 1958 . 1 1 25 ARG HH22 H 8.879 9.853 1.742 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HH22 . . . . . . . . . c30642_6pv1 1 . 4 . 1959 . 1 1 25 ARG N N 5.325 2.949 -0.282 . . . 1.0 . . . . . . . . . . . . A . 25 ARG N . . . . . . . . . c30642_6pv1 1 . 4 . 1960 . 1 1 25 ARG NE N 6.827 8.003 0.098 . . . 1.0 . . . . . . . . . . . . A . 25 ARG NE . . . . . . . . . c30642_6pv1 1 . 4 . 1961 . 1 1 25 ARG NH1 N 6.691 8.750 2.279 . . . 1.0 . . . . . . . . . . . . A . 25 ARG NH1 . . . . . . . . . c30642_6pv1 1 . 4 . 1962 . 1 1 25 ARG NH2 N 8.493 9.327 0.979 . . . 1.0 . . . . . . . . . . . . A . 25 ARG NH2 . . . . . . . . . c30642_6pv1 1 . 4 . 1963 . 1 1 25 ARG O O 8.674 2.899 0.997 . . . 1.0 . . . . . . . . . . . . A . 25 ARG O . . . . . . . . . c30642_6pv1 1 . 4 . 1964 . 1 1 26 THR C C 8.328 -0.018 1.959 . . . 1.0 . . . . . . . . . . . . A . 26 THR C . . . . . . . . . c30642_6pv1 1 . 4 . 1965 . 1 1 26 THR CA C 7.519 1.056 2.678 . . . 1.0 . . . . . . . . . . . . A . 26 THR CA . . . . . . . . . c30642_6pv1 1 . 4 . 1966 . 1 1 26 THR CB C 6.573 0.383 3.698 . . . 1.0 . . . . . . . . . . . . A . 26 THR CB . . . . . . . . . c30642_6pv1 1 . 4 . 1967 . 1 1 26 THR CG2 C 5.808 1.422 4.503 . . . 1.0 . . . . . . . . . . . . A . 26 THR CG2 . . . . . . . . . c30642_6pv1 1 . 4 . 1968 . 1 1 26 THR H H 5.831 1.797 1.631 . . . 1.0 . . . . . . . . . . . . A . 26 THR H . . . . . . . . . c30642_6pv1 1 . 4 . 1969 . 1 1 26 THR HA H 8.198 1.695 3.220 . . . 1.0 . . . . . . . . . . . . A . 26 THR HA . . . . . . . . . c30642_6pv1 1 . 4 . 1970 . 1 1 26 THR HB H 7.171 -0.204 4.380 . . . 1.0 . . . . . . . . . . . . A . 26 THR HB . . . . . . . . . c30642_6pv1 1 . 4 . 1971 . 1 1 26 THR HG1 H 4.898 0.036 2.697 . . . 1.0 . . . . . . . . . . . . A . 26 THR HG1 . . . . . . . . . c30642_6pv1 1 . 4 . 1972 . 1 1 26 THR HG21 H 5.213 2.027 3.836 . . . 1.0 . . . . . . . . . . . . A . 26 THR HG21 . . . . . . . . . c30642_6pv1 1 . 4 . 1973 . 1 1 26 THR HG22 H 6.507 2.050 5.034 . . . 1.0 . . . . . . . . . . . . A . 26 THR HG22 . . . . . . . . . c30642_6pv1 1 . 4 . 1974 . 1 1 26 THR HG23 H 5.161 0.923 5.211 . . . 1.0 . . . . . . . . . . . . A . 26 THR HG23 . . . . . . . . . c30642_6pv1 1 . 4 . 1975 . 1 1 26 THR N N 6.805 1.885 1.718 . . . 1.0 . . . . . . . . . . . . A . 26 THR N . . . . . . . . . c30642_6pv1 1 . 4 . 1976 . 1 1 26 THR O O 9.515 -0.200 2.234 . . . 1.0 . . . . . . . . . . . . A . 26 THR O . . . . . . . . . c30642_6pv1 1 . 4 . 1977 . 1 1 26 THR OG1 O 5.646 -0.484 3.032 . . . 1.0 . . . . . . . . . . . . A . 26 THR OG1 . . . . . . . . . c30642_6pv1 1 . 4 . 1978 . 1 1 27 HIS C C 9.445 -1.194 -0.608 . . . 1.0 . . . . . . . . . . . . A . 27 HIS C . . . . . . . . . c30642_6pv1 1 . 4 . 1979 . 1 1 27 HIS CA C 8.346 -1.771 0.266 . . . 1.0 . . . . . . . . . . . . A . 27 HIS CA . . . . . . . . . c30642_6pv1 1 . 4 . 1980 . 1 1 27 HIS CB C 7.352 -2.525 -0.621 . . . 1.0 . . . . . . . . . . . . A . 27 HIS CB . . . . . . . . . c30642_6pv1 1 . 4 . 1981 . 1 1 27 HIS CD2 C 4.915 -2.891 0.139 . . . 1.0 . . . . . . . . . . . . A . 27 HIS CD2 . . . . . . . . . c30642_6pv1 1 . 4 . 1982 . 1 1 27 HIS CE1 C 5.165 -4.672 1.370 . . . 1.0 . . . . . . . . . . . . A . 27 HIS CE1 . . . . . . . . . c30642_6pv1 1 . 4 . 1983 . 1 1 27 HIS CG C 6.236 -3.198 0.114 . . . 1.0 . . . . . . . . . . . . A . 27 HIS CG . . . . . . . . . c30642_6pv1 1 . 4 . 1984 . 1 1 27 HIS H H 6.753 -0.485 0.813 . . . 1.0 . . . . . . . . . . . . A . 27 HIS H . . . . . . . . . c30642_6pv1 1 . 4 . 1985 . 1 1 27 HIS HA H 8.782 -2.458 0.975 . . . 1.0 . . . . . . . . . . . . A . 27 HIS HA . . . . . . . . . c30642_6pv1 1 . 4 . 1986 . 1 1 27 HIS HB2 H 6.908 -1.828 -1.316 . . . 1.0 . . . . . . . . . . . . A . 27 HIS HB2 . . . . . . . . . c30642_6pv1 1 . 4 . 1987 . 1 1 27 HIS HB3 H 7.886 -3.284 -1.176 . . . 1.0 . . . . . . . . . . . . A . 27 HIS HB3 . . . . . . . . . c30642_6pv1 1 . 4 . 1988 . 1 1 27 HIS HD1 H 7.225 -4.811 1.088 . . . 1.0 . . . . . . . . . . . . A . 27 HIS HD1 . . . . . . . . . c30642_6pv1 1 . 4 . 1989 . 1 1 27 HIS HD2 H 4.436 -2.073 -0.378 . . . 1.0 . . . . . . . . . . . . A . 27 HIS HD2 . . . . . . . . . c30642_6pv1 1 . 4 . 1990 . 1 1 27 HIS HE1 H 4.951 -5.521 2.003 . . . 1.0 . . . . . . . . . . . . A . 27 HIS HE1 . . . . . . . . . c30642_6pv1 1 . 4 . 1991 . 1 1 27 HIS N N 7.689 -0.704 1.014 . . . 1.0 . . . . . . . . . . . . A . 27 HIS N . . . . . . . . . c30642_6pv1 1 . 4 . 1992 . 1 1 27 HIS ND1 N 6.383 -4.336 0.905 . . . 1.0 . . . . . . . . . . . . A . 27 HIS ND1 . . . . . . . . . c30642_6pv1 1 . 4 . 1993 . 1 1 27 HIS NE2 N 4.277 -3.824 0.924 . . . 1.0 . . . . . . . . . . . . A . 27 HIS NE2 . . . . . . . . . c30642_6pv1 1 . 4 . 1994 . 1 1 27 HIS O O 10.516 -1.782 -0.759 . . . 1.0 . . . . . . . . . . . . A . 27 HIS O . . . . . . . . . c30642_6pv1 1 . 4 . 1995 . 1 1 28 THR C C 11.174 1.404 -1.215 . . . 1.0 . . . . . . . . . . . . A . 28 THR C . . . . . . . . . c30642_6pv1 1 . 4 . 1996 . 1 1 28 THR CA C 10.126 0.648 -2.031 . . . 1.0 . . . . . . . . . . . . A . 28 THR CA . . . . . . . . . c30642_6pv1 1 . 4 . 1997 . 1 1 28 THR CB C 9.401 1.618 -2.981 . . . 1.0 . . . . . . . . . . . . A . 28 THR CB . . . . . . . . . c30642_6pv1 1 . 4 . 1998 . 1 1 28 THR CG2 C 8.629 0.852 -4.045 . . . 1.0 . . . . . . . . . . . . A . 28 THR CG2 . . . . . . . . . c30642_6pv1 1 . 4 . 1999 . 1 1 28 THR H H 8.306 0.405 -0.990 . . . 1.0 . . . . . . . . . . . . A . 28 THR H . . . . . . . . . c30642_6pv1 1 . 4 . 2000 . 1 1 28 THR HA H 10.621 -0.104 -2.626 . . . 1.0 . . . . . . . . . . . . A . 28 THR HA . . . . . . . . . c30642_6pv1 1 . 4 . 2001 . 1 1 28 THR HB H 10.136 2.243 -3.465 . . . 1.0 . . . . . . . . . . . . A . 28 THR HB . . . . . . . . . c30642_6pv1 1 . 4 . 2002 . 1 1 28 THR HG1 H 7.610 2.072 -2.283 . . . 1.0 . . . . . . . . . . . . A . 28 THR HG1 . . . . . . . . . c30642_6pv1 1 . 4 . 2003 . 1 1 28 THR HG21 H 7.913 0.199 -3.569 . . . 1.0 . . . . . . . . . . . . A . 28 THR HG21 . . . . . . . . . c30642_6pv1 1 . 4 . 2004 . 1 1 28 THR HG22 H 9.316 0.264 -4.635 . . . 1.0 . . . . . . . . . . . . A . 28 THR HG22 . . . . . . . . . c30642_6pv1 1 . 4 . 2005 . 1 1 28 THR HG23 H 8.111 1.550 -4.684 . . . 1.0 . . . . . . . . . . . . A . 28 THR HG23 . . . . . . . . . c30642_6pv1 1 . 4 . 2006 . 1 1 28 THR N N 9.176 -0.021 -1.165 . . . 1.0 . . . . . . . . . . . . A . 28 THR N . . . . . . . . . c30642_6pv1 1 . 4 . 2007 . 1 1 28 THR O O 12.005 2.127 -1.763 . . . 1.0 . . . . . . . . . . . . A . 28 THR O . . . . . . . . . c30642_6pv1 1 . 4 . 2008 . 1 1 28 THR OG1 O 8.499 2.447 -2.235 . . . 1.0 . . . . . . . . . . . . A . 28 THR OG1 . . . . . . . . . c30642_6pv1 1 . 4 . 2009 . 1 1 29 GLY C C 12.983 0.833 1.646 . . . 1.0 . . . . . . . . . . . . A . 29 GLY C . . . . . . . . . c30642_6pv1 1 . 4 . 2010 . 1 1 29 GLY CA C 12.088 1.854 0.976 . . . 1.0 . . . . . . . . . . . . A . 29 GLY CA . . . . . . . . . c30642_6pv1 1 . 4 . 2011 . 1 1 29 GLY H H 10.409 0.671 0.480 . . . 1.0 . . . . . . . . . . . . A . 29 GLY H . . . . . . . . . c30642_6pv1 1 . 4 . 2012 . 1 1 29 GLY HA2 H 12.698 2.531 0.397 . . . 1.0 . . . . . . . . . . . . A . 29 GLY HA2 . . . . . . . . . c30642_6pv1 1 . 4 . 2013 . 1 1 29 GLY HA3 H 11.564 2.413 1.736 . . . 1.0 . . . . . . . . . . . . A . 29 GLY HA3 . . . . . . . . . c30642_6pv1 1 . 4 . 2014 . 1 1 29 GLY N N 11.121 1.230 0.100 . . . 1.0 . . . . . . . . . . . . A . 29 GLY N . . . . . . . . . c30642_6pv1 1 . 4 . 2015 . 1 1 29 GLY O O 13.807 1.178 2.493 . . . 1.0 . . . . . . . . . . . . A . 29 GLY O . . . . . . . . . c30642_6pv1 1 . 4 . 2016 . 1 1 30 GLU C C 14.858 -1.736 0.947 . . . 1.0 . . . . . . . . . . . . A . 30 GLU C . . . . . . . . . c30642_6pv1 1 . 4 . 2017 . 1 1 30 GLU CA C 13.632 -1.506 1.815 . . . 1.0 . . . . . . . . . . . . A . 30 GLU CA . . . . . . . . . c30642_6pv1 1 . 4 . 2018 . 1 1 30 GLU CB C 12.833 -2.806 1.902 . . . 1.0 . . . . . . . . . . . . A . 30 GLU CB . . . . . . . . . c30642_6pv1 1 . 4 . 2019 . 1 1 30 GLU CD C 10.928 -4.079 2.928 . . . 1.0 . . . . . . . . . . . . A . 30 GLU CD . . . . . . . . . c30642_6pv1 1 . 4 . 2020 . 1 1 30 GLU CG C 11.605 -2.734 2.790 . . . 1.0 . . . . . . . . . . . . A . 30 GLU CG . . . . . . . . . c30642_6pv1 1 . 4 . 2021 . 1 1 30 GLU H H 12.148 -0.637 0.582 . . . 1.0 . . . . . . . . . . . . A . 30 GLU H . . . . . . . . . c30642_6pv1 1 . 4 . 2022 . 1 1 30 GLU HA H 13.949 -1.215 2.806 . . . 1.0 . . . . . . . . . . . . A . 30 GLU HA . . . . . . . . . c30642_6pv1 1 . 4 . 2023 . 1 1 30 GLU HB2 H 12.513 -3.080 0.909 . . . 1.0 . . . . . . . . . . . . A . 30 GLU HB2 . . . . . . . . . c30642_6pv1 1 . 4 . 2024 . 1 1 30 GLU HB3 H 13.480 -3.581 2.284 . . . 1.0 . . . . . . . . . . . . A . 30 GLU HB3 . . . . . . . . . c30642_6pv1 1 . 4 . 2025 . 1 1 30 GLU HG2 H 11.902 -2.392 3.771 . . . 1.0 . . . . . . . . . . . . A . 30 GLU HG2 . . . . . . . . . c30642_6pv1 1 . 4 . 2026 . 1 1 30 GLU HG3 H 10.903 -2.035 2.361 . . . 1.0 . . . . . . . . . . . . A . 30 GLU HG3 . . . . . . . . . c30642_6pv1 1 . 4 . 2027 . 1 1 30 GLU N N 12.821 -0.427 1.264 . . . 1.0 . . . . . . . . . . . . A . 30 GLU N . . . . . . . . . c30642_6pv1 1 . 4 . 2028 . 1 1 30 GLU O O 14.808 -1.531 -0.268 . . . 1.0 . . . . . . . . . . . . A . 30 GLU O . . . . . . . . . c30642_6pv1 1 . 4 . 2029 . 1 1 30 GLU OE1 O 11.205 -4.789 3.915 . . . 1.0 . . . . . . . . . . . . A . 30 GLU OE1 . . . . . . . . . c30642_6pv1 1 . 4 . 2030 . 1 1 30 GLU OE2 O 10.124 -4.442 2.043 . . . 1.0 . . . . . . . . . . . . A . 30 GLU OE2 . . . . . . . . . c30642_6pv1 1 . 4 . 2031 . 1 1 31 LYS C C 17.498 -3.933 0.888 . . . 1.0 . . . . . . . . . . . . A . 31 LYS C . . . . . . . . . c30642_6pv1 1 . 4 . 2032 . 1 1 31 LYS CA C 17.174 -2.444 0.831 . . . 1.0 . . . . . . . . . . . . A . 31 LYS CA . . . . . . . . . c30642_6pv1 1 . 4 . 2033 . 1 1 31 LYS CB C 18.328 -1.621 1.412 . . . 1.0 . . . . . . . . . . . . A . 31 LYS CB . . . . . . . . . c30642_6pv1 1 . 4 . 2034 . 1 1 31 LYS CD C 20.734 -0.912 1.245 . . . 1.0 . . . . . . . . . . . . A . 31 LYS CD . . . . . . . . . c30642_6pv1 1 . 4 . 2035 . 1 1 31 LYS CE C 22.007 -0.995 0.423 . . . 1.0 . . . . . . . . . . . . A . 31 LYS CE . . . . . . . . . c30642_6pv1 1 . 4 . 2036 . 1 1 31 LYS CG C 19.607 -1.698 0.596 . . . 1.0 . . . . . . . . . . . . A . 31 LYS CG . . . . . . . . . c30642_6pv1 1 . 4 . 2037 . 1 1 31 LYS H H 15.923 -2.331 2.529 . . . 1.0 . . . . . . . . . . . . A . 31 LYS H . . . . . . . . . c30642_6pv1 1 . 4 . 2038 . 1 1 31 LYS HA H 17.019 -2.159 -0.200 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HA . . . . . . . . . c30642_6pv1 1 . 4 . 2039 . 1 1 31 LYS HB2 H 18.026 -0.586 1.470 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HB2 . . . . . . . . . c30642_6pv1 1 . 4 . 2040 . 1 1 31 LYS HB3 H 18.543 -1.978 2.408 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HB3 . . . . . . . . . c30642_6pv1 1 . 4 . 2041 . 1 1 31 LYS HD2 H 20.437 0.122 1.330 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HD2 . . . . . . . . . c30642_6pv1 1 . 4 . 2042 . 1 1 31 LYS HD3 H 20.923 -1.318 2.229 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HD3 . . . . . . . . . c30642_6pv1 1 . 4 . 2043 . 1 1 31 LYS HE2 H 22.283 -2.032 0.316 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HE2 . . . . . . . . . c30642_6pv1 1 . 4 . 2044 . 1 1 31 LYS HE3 H 21.818 -0.572 -0.553 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HE3 . . . . . . . . . c30642_6pv1 1 . 4 . 2045 . 1 1 31 LYS HG2 H 19.906 -2.731 0.509 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HG2 . . . . . . . . . c30642_6pv1 1 . 4 . 2046 . 1 1 31 LYS HG3 H 19.418 -1.293 -0.388 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HG3 . . . . . . . . . c30642_6pv1 1 . 4 . 2047 . 1 1 31 LYS HZ1 H 23.360 -0.683 1.980 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HZ1 . . . . . . . . . c30642_6pv1 1 . 4 . 2048 . 1 1 31 LYS HZ2 H 22.878 0.737 1.201 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HZ2 . . . . . . . . . c30642_6pv1 1 . 4 . 2049 . 1 1 31 LYS HZ3 H 23.976 -0.307 0.452 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HZ3 . . . . . . . . . c30642_6pv1 1 . 4 . 2050 . 1 1 31 LYS N N 15.946 -2.176 1.559 . . . 1.0 . . . . . . . . . . . . A . 31 LYS N . . . . . . . . . c30642_6pv1 1 . 4 . 2051 . 1 1 31 LYS NZ N 23.133 -0.261 1.059 . . . 1.0 . . . . . . . . . . . . A . 31 LYS NZ . . . . . . . . . c30642_6pv1 1 . 4 . 2052 . 1 1 31 LYS O O 18.171 -4.406 1.802 . . . 1.0 . . . . . . . . . . . . A . 31 LYS O . . . . . . . . . c30642_6pv1 1 . 4 . 2053 . 1 1 32 NH2 HN1 H 16.469 -4.233 -0.777 . . . 1.0 . . . . . . . . . . . . A . 32 NH2 HN1 . . . . . . . . . c30642_6pv1 1 . 4 . 2054 . 1 1 32 NH2 HN2 H 17.172 -5.642 -0.062 . . . 1.0 . . . . . . . . . . . . A . 32 NH2 HN2 . . . . . . . . . c30642_6pv1 1 . 4 . 2055 . 1 1 32 NH2 N N 16.997 -4.678 -0.080 . . . 1.0 . . . . . . . . . . . . A . 32 NH2 N . . . . . . . . . c30642_6pv1 1 . 4 . 2056 . 2 2 1 ZN ZN Zn 2.320 -3.849 1.299 . . . 1.0 . . . . . . . . . . . . A . 101 ZN ZN . . . . . . . . . c30642_6pv1 1 . 5 . 2057 . 1 1 1 ARG C C -12.498 0.714 -2.490 . . . 1.0 . . . . . . . . . . . . A . 1 ARG C . . . . . . . . . c30642_6pv1 1 . 5 . 2058 . 1 1 1 ARG CA C -13.600 0.995 -3.499 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CA . . . . . . . . . c30642_6pv1 1 . 5 . 2059 . 1 1 1 ARG CB C -13.054 1.896 -4.610 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CB . . . . . . . . . c30642_6pv1 1 . 5 . 2060 . 1 1 1 ARG CD C -13.505 0.329 -6.514 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CD . . . . . . . . . c30642_6pv1 1 . 5 . 2061 . 1 1 1 ARG CG C -13.755 1.715 -5.944 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CG . . . . . . . . . c30642_6pv1 1 . 5 . 2062 . 1 1 1 ARG CZ C -11.565 -1.182 -6.748 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CZ . . . . . . . . . c30642_6pv1 1 . 5 . 2063 . 1 1 1 ARG H1 H -15.534 1.763 -3.542 . . . 1.0 . . . . . . . . . . . . A . 1 ARG H1 . . . . . . . . . c30642_6pv1 1 . 5 . 2064 . 1 1 1 ARG H2 H -14.511 2.537 -2.444 . . . 1.0 . . . . . . . . . . . . A . 1 ARG H2 . . . . . . . . . c30642_6pv1 1 . 5 . 2065 . 1 1 1 ARG H3 H -15.127 1.006 -2.087 . . . 1.0 . . . . . . . . . . . . A . 1 ARG H3 . . . . . . . . . c30642_6pv1 1 . 5 . 2066 . 1 1 1 ARG HA H -13.916 0.060 -3.932 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HA . . . . . . . . . c30642_6pv1 1 . 5 . 2067 . 1 1 1 ARG HB2 H -13.163 2.926 -4.307 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HB2 . . . . . . . . . c30642_6pv1 1 . 5 . 2068 . 1 1 1 ARG HB3 H -12.005 1.678 -4.747 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HB3 . . . . . . . . . c30642_6pv1 1 . 5 . 2069 . 1 1 1 ARG HD2 H -13.941 -0.404 -5.854 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HD2 . . . . . . . . . c30642_6pv1 1 . 5 . 2070 . 1 1 1 ARG HD3 H -13.976 0.262 -7.483 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HD3 . . . . . . . . . c30642_6pv1 1 . 5 . 2071 . 1 1 1 ARG HE H -11.463 0.815 -6.694 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HE . . . . . . . . . c30642_6pv1 1 . 5 . 2072 . 1 1 1 ARG HG2 H -14.818 1.850 -5.806 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HG2 . . . . . . . . . c30642_6pv1 1 . 5 . 2073 . 1 1 1 ARG HG3 H -13.384 2.453 -6.639 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HG3 . . . . . . . . . c30642_6pv1 1 . 5 . 2074 . 1 1 1 ARG HH11 H -11.978 -3.166 -6.782 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH11 . . . . . . . . . c30642_6pv1 1 . 5 . 2075 . 1 1 1 ARG HH12 H -13.355 -2.124 -6.634 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH12 . . . . . . . . . c30642_6pv1 1 . 5 . 2076 . 1 1 1 ARG HH21 H -9.865 -2.271 -6.938 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH21 . . . . . . . . . c30642_6pv1 1 . 5 . 2077 . 1 1 1 ARG HH22 H -9.643 -0.551 -6.894 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH22 . . . . . . . . . c30642_6pv1 1 . 5 . 2078 . 1 1 1 ARG N N -14.773 1.618 -2.850 . . . 1.0 . . . . . . . . . . . . A . 1 ARG N . . . . . . . . . c30642_6pv1 1 . 5 . 2079 . 1 1 1 ARG NE N -12.076 0.045 -6.660 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NE . . . . . . . . . c30642_6pv1 1 . 5 . 2080 . 1 1 1 ARG NH1 N -12.363 -2.242 -6.716 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NH1 . . . . . . . . . c30642_6pv1 1 . 5 . 2081 . 1 1 1 ARG NH2 N -10.255 -1.348 -6.870 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NH2 . . . . . . . . . c30642_6pv1 1 . 5 . 2082 . 1 1 1 ARG O O -11.900 1.638 -1.941 . . . 1.0 . . . . . . . . . . . . A . 1 ARG O . . . . . . . . . c30642_6pv1 1 . 5 . 2083 . 1 1 2 PRO C C -9.788 -0.956 -2.081 . . . 1.0 . . . . . . . . . . . . A . 2 PRO C . . . . . . . . . c30642_6pv1 1 . 5 . 2084 . 1 1 2 PRO CA C -11.126 -0.963 -1.348 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CA . . . . . . . . . c30642_6pv1 1 . 5 . 2085 . 1 1 2 PRO CB C -11.511 -2.380 -0.937 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CB . . . . . . . . . c30642_6pv1 1 . 5 . 2086 . 1 1 2 PRO CD C -12.957 -1.740 -2.747 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CD . . . . . . . . . c30642_6pv1 1 . 5 . 2087 . 1 1 2 PRO CG C -12.264 -2.918 -2.104 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CG . . . . . . . . . c30642_6pv1 1 . 5 . 2088 . 1 1 2 PRO HA H -11.064 -0.329 -0.475 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HA . . . . . . . . . c30642_6pv1 1 . 5 . 2089 . 1 1 2 PRO HB2 H -10.617 -2.955 -0.741 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HB2 . . . . . . . . . c30642_6pv1 1 . 5 . 2090 . 1 1 2 PRO HB3 H -12.128 -2.346 -0.051 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HB3 . . . . . . . . . c30642_6pv1 1 . 5 . 2091 . 1 1 2 PRO HD2 H -12.874 -1.796 -3.822 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HD2 . . . . . . . . . c30642_6pv1 1 . 5 . 2092 . 1 1 2 PRO HD3 H -13.994 -1.706 -2.448 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HD3 . . . . . . . . . c30642_6pv1 1 . 5 . 2093 . 1 1 2 PRO HG2 H -11.577 -3.375 -2.801 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HG2 . . . . . . . . . c30642_6pv1 1 . 5 . 2094 . 1 1 2 PRO HG3 H -12.992 -3.643 -1.768 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HG3 . . . . . . . . . c30642_6pv1 1 . 5 . 2095 . 1 1 2 PRO N N -12.221 -0.569 -2.225 . . . 1.0 . . . . . . . . . . . . A . 2 PRO N . . . . . . . . . c30642_6pv1 1 . 5 . 2096 . 1 1 2 PRO O O -9.726 -1.223 -3.283 . . . 1.0 . . . . . . . . . . . . A . 2 PRO O . . . . . . . . . c30642_6pv1 1 . 5 . 2097 . 1 1 3 PHE C C -6.492 -1.611 -1.285 . . . 1.0 . . . . . . . . . . . . A . 3 PHE C . . . . . . . . . c30642_6pv1 1 . 5 . 2098 . 1 1 3 PHE CA C -7.399 -0.587 -1.944 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CA . . . . . . . . . c30642_6pv1 1 . 5 . 2099 . 1 1 3 PHE CB C -6.820 0.818 -1.805 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CB . . . . . . . . . c30642_6pv1 1 . 5 . 2100 . 1 1 3 PHE CD1 C -7.245 2.009 -3.964 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD1 . . . . . . . . . c30642_6pv1 1 . 5 . 2101 . 1 1 3 PHE CD2 C -8.571 2.593 -2.072 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD2 . . . . . . . . . c30642_6pv1 1 . 5 . 2102 . 1 1 3 PHE CE1 C -7.931 2.930 -4.732 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE1 . . . . . . . . . c30642_6pv1 1 . 5 . 2103 . 1 1 3 PHE CE2 C -9.257 3.515 -2.833 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE2 . . . . . . . . . c30642_6pv1 1 . 5 . 2104 . 1 1 3 PHE CG C -7.557 1.831 -2.628 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CG . . . . . . . . . c30642_6pv1 1 . 5 . 2105 . 1 1 3 PHE CZ C -8.940 3.684 -4.166 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CZ . . . . . . . . . c30642_6pv1 1 . 5 . 2106 . 1 1 3 PHE H H -8.840 -0.428 -0.409 . . . 1.0 . . . . . . . . . . . . A . 3 PHE H . . . . . . . . . c30642_6pv1 1 . 5 . 2107 . 1 1 3 PHE HA H -7.489 -0.826 -2.993 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HA . . . . . . . . . c30642_6pv1 1 . 5 . 2108 . 1 1 3 PHE HB2 H -6.873 1.125 -0.770 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB2 . . . . . . . . . c30642_6pv1 1 . 5 . 2109 . 1 1 3 PHE HB3 H -5.792 0.811 -2.122 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB3 . . . . . . . . . c30642_6pv1 1 . 5 . 2110 . 1 1 3 PHE HD1 H -6.457 1.418 -4.407 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD1 . . . . . . . . . c30642_6pv1 1 . 5 . 2111 . 1 1 3 PHE HD2 H -8.820 2.463 -1.029 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD2 . . . . . . . . . c30642_6pv1 1 . 5 . 2112 . 1 1 3 PHE HE1 H -7.677 3.061 -5.774 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE1 . . . . . . . . . c30642_6pv1 1 . 5 . 2113 . 1 1 3 PHE HE2 H -10.045 4.102 -2.387 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE2 . . . . . . . . . c30642_6pv1 1 . 5 . 2114 . 1 1 3 PHE HZ H -9.477 4.405 -4.765 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HZ . . . . . . . . . c30642_6pv1 1 . 5 . 2115 . 1 1 3 PHE N N -8.728 -0.638 -1.363 . . . 1.0 . . . . . . . . . . . . A . 3 PHE N . . . . . . . . . c30642_6pv1 1 . 5 . 2116 . 1 1 3 PHE O O -6.055 -1.430 -0.154 . . . 1.0 . . . . . . . . . . . . A . 3 PHE O . . . . . . . . . c30642_6pv1 1 . 5 . 2117 . 1 1 4 NLE C C -4.040 -3.808 -2.037 . . . 1.0 . . . . . . . . . . . . A . 4 NLE C . . . . . . . . . c30642_6pv1 1 . 5 . 2118 . 1 1 4 NLE CA C -5.440 -3.785 -1.442 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CA . . . . . . . . . c30642_6pv1 1 . 5 . 2119 . 1 1 4 NLE CB C -6.140 -5.121 -1.704 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CB . . . . . . . . . c30642_6pv1 1 . 5 . 2120 . 1 1 4 NLE CD C -6.109 -7.623 -1.495 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CD . . . . . . . . . c30642_6pv1 1 . 5 . 2121 . 1 1 4 NLE CE C -5.329 -8.807 -0.966 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CE . . . . . . . . . c30642_6pv1 1 . 5 . 2122 . 1 1 4 NLE CG C -5.389 -6.328 -1.163 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CG . . . . . . . . . c30642_6pv1 1 . 5 . 2123 . 1 1 4 NLE H H -6.552 -2.750 -2.915 . . . 1.0 . . . . . . . . . . . . A . 4 NLE H . . . . . . . . . c30642_6pv1 1 . 5 . 2124 . 1 1 4 NLE HA H -5.362 -3.632 -0.376 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HA . . . . . . . . . c30642_6pv1 1 . 5 . 2125 . 1 1 4 NLE HB2 H -6.257 -5.246 -2.769 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HB2 . . . . . . . . . c30642_6pv1 1 . 5 . 2126 . 1 1 4 NLE HB3 H -7.117 -5.098 -1.245 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HB3 . . . . . . . . . c30642_6pv1 1 . 5 . 2127 . 1 1 4 NLE HD2 H -6.203 -7.719 -2.566 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HD2 . . . . . . . . . c30642_6pv1 1 . 5 . 2128 . 1 1 4 NLE HD3 H -7.086 -7.619 -1.034 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HD3 . . . . . . . . . c30642_6pv1 1 . 5 . 2129 . 1 1 4 NLE HE1 H -4.351 -8.827 -1.424 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HE1 . . . . . . . . . c30642_6pv1 1 . 5 . 2130 . 1 1 4 NLE HE2 H -5.855 -9.720 -1.201 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HE2 . . . . . . . . . c30642_6pv1 1 . 5 . 2131 . 1 1 4 NLE HE3 H -5.223 -8.719 0.106 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HE3 . . . . . . . . . c30642_6pv1 1 . 5 . 2132 . 1 1 4 NLE HG2 H -5.304 -6.238 -0.090 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HG2 . . . . . . . . . c30642_6pv1 1 . 5 . 2133 . 1 1 4 NLE HG3 H -4.402 -6.353 -1.603 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HG3 . . . . . . . . . c30642_6pv1 1 . 5 . 2134 . 1 1 4 NLE N N -6.223 -2.691 -1.992 . . . 1.0 . . . . . . . . . . . . A . 4 NLE N . . . . . . . . . c30642_6pv1 1 . 5 . 2135 . 1 1 4 NLE O O -3.870 -3.785 -3.256 . . . 1.0 . . . . . . . . . . . . A . 4 NLE O . . . . . . . . . c30642_6pv1 1 . 5 . 2136 . 1 1 5 CYS C C -1.354 -5.406 -1.935 . . . 1.0 . . . . . . . . . . . . A . 5 CYS C . . . . . . . . . c30642_6pv1 1 . 5 . 2137 . 1 1 5 CYS CA C -1.665 -3.962 -1.585 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CA . . . . . . . . . c30642_6pv1 1 . 5 . 2138 . 1 1 5 CYS CB C -0.725 -3.482 -0.484 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CB . . . . . . . . . c30642_6pv1 1 . 5 . 2139 . 1 1 5 CYS H H -3.251 -3.769 -0.209 . . . 1.0 . . . . . . . . . . . . A . 5 CYS H . . . . . . . . . c30642_6pv1 1 . 5 . 2140 . 1 1 5 CYS HA H -1.525 -3.350 -2.462 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HA . . . . . . . . . c30642_6pv1 1 . 5 . 2141 . 1 1 5 CYS HB2 H -0.892 -2.431 -0.305 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB2 . . . . . . . . . c30642_6pv1 1 . 5 . 2142 . 1 1 5 CYS HB3 H -0.934 -4.032 0.418 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB3 . . . . . . . . . c30642_6pv1 1 . 5 . 2143 . 1 1 5 CYS N N -3.048 -3.837 -1.167 . . . 1.0 . . . . . . . . . . . . A . 5 CYS N . . . . . . . . . c30642_6pv1 1 . 5 . 2144 . 1 1 5 CYS O O -1.137 -6.245 -1.053 . . . 1.0 . . . . . . . . . . . . A . 5 CYS O . . . . . . . . . c30642_6pv1 1 . 5 . 2145 . 1 1 5 CYS SG S 1.023 -3.705 -0.873 . . . 1.0 . . . . . . . . . . . . A . 5 CYS SG . . . . . . . . . c30642_6pv1 1 . 5 . 2146 . 1 1 6 THR C C 0.420 -7.298 -3.873 . . . 1.0 . . . . . . . . . . . . A . 6 THR C . . . . . . . . . c30642_6pv1 1 . 5 . 2147 . 1 1 6 THR CA C -1.074 -7.033 -3.702 . . . 1.0 . . . . . . . . . . . . A . 6 THR CA . . . . . . . . . c30642_6pv1 1 . 5 . 2148 . 1 1 6 THR CB C -1.808 -7.275 -5.033 . . . 1.0 . . . . . . . . . . . . A . 6 THR CB . . . . . . . . . c30642_6pv1 1 . 5 . 2149 . 1 1 6 THR CG2 C -3.293 -7.516 -4.798 . . . 1.0 . . . . . . . . . . . . A . 6 THR CG2 . . . . . . . . . c30642_6pv1 1 . 5 . 2150 . 1 1 6 THR H H -1.472 -4.973 -3.877 . . . 1.0 . . . . . . . . . . . . A . 6 THR H . . . . . . . . . c30642_6pv1 1 . 5 . 2151 . 1 1 6 THR HA H -1.469 -7.721 -2.969 . . . 1.0 . . . . . . . . . . . . A . 6 THR HA . . . . . . . . . c30642_6pv1 1 . 5 . 2152 . 1 1 6 THR HB H -1.385 -8.149 -5.506 . . . 1.0 . . . . . . . . . . . . A . 6 THR HB . . . . . . . . . c30642_6pv1 1 . 5 . 2153 . 1 1 6 THR HG1 H -0.782 -6.204 -6.339 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG1 . . . . . . . . . c30642_6pv1 1 . 5 . 2154 . 1 1 6 THR HG21 H -3.725 -6.654 -4.312 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG21 . . . . . . . . . c30642_6pv1 1 . 5 . 2155 . 1 1 6 THR HG22 H -3.423 -8.386 -4.172 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG22 . . . . . . . . . c30642_6pv1 1 . 5 . 2156 . 1 1 6 THR HG23 H -3.784 -7.679 -5.745 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG23 . . . . . . . . . c30642_6pv1 1 . 5 . 2157 . 1 1 6 THR N N -1.322 -5.689 -3.224 . . . 1.0 . . . . . . . . . . . . A . 6 THR N . . . . . . . . . c30642_6pv1 1 . 5 . 2158 . 1 1 6 THR O O 0.834 -8.011 -4.785 . . . 1.0 . . . . . . . . . . . . A . 6 THR O . . . . . . . . . c30642_6pv1 1 . 5 . 2159 . 1 1 6 THR OG1 O -1.636 -6.143 -5.895 . . . 1.0 . . . . . . . . . . . . A . 6 THR OG1 . . . . . . . . . c30642_6pv1 1 . 5 . 2160 . 1 1 7 TRP C C 2.903 -8.403 -2.538 . . . 1.0 . . . . . . . . . . . . A . 7 TRP C . . . . . . . . . c30642_6pv1 1 . 5 . 2161 . 1 1 7 TRP CA C 2.659 -6.973 -2.993 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CA . . . . . . . . . c30642_6pv1 1 . 5 . 2162 . 1 1 7 TRP CB C 3.384 -5.992 -2.069 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CB . . . . . . . . . c30642_6pv1 1 . 5 . 2163 . 1 1 7 TRP CD1 C 5.676 -6.903 -1.371 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD1 . . . . . . . . . c30642_6pv1 1 . 5 . 2164 . 1 1 7 TRP CD2 C 5.748 -5.376 -3.002 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD2 . . . . . . . . . c30642_6pv1 1 . 5 . 2165 . 1 1 7 TRP CE2 C 7.062 -5.790 -2.718 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE2 . . . . . . . . . c30642_6pv1 1 . 5 . 2166 . 1 1 7 TRP CE3 C 5.543 -4.417 -3.995 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE3 . . . . . . . . . c30642_6pv1 1 . 5 . 2167 . 1 1 7 TRP CG C 4.877 -6.100 -2.132 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CG . . . . . . . . . c30642_6pv1 1 . 5 . 2168 . 1 1 7 TRP CH2 C 7.936 -4.339 -4.360 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CH2 . . . . . . . . . c30642_6pv1 1 . 5 . 2169 . 1 1 7 TRP CZ2 C 8.166 -5.278 -3.394 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ2 . . . . . . . . . c30642_6pv1 1 . 5 . 2170 . 1 1 7 TRP CZ3 C 6.639 -3.908 -4.664 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ3 . . . . . . . . . c30642_6pv1 1 . 5 . 2171 . 1 1 7 TRP H H 0.856 -6.090 -2.343 . . . 1.0 . . . . . . . . . . . . A . 7 TRP H . . . . . . . . . c30642_6pv1 1 . 5 . 2172 . 1 1 7 TRP HA H 3.028 -6.855 -3.999 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HA . . . . . . . . . c30642_6pv1 1 . 5 . 2173 . 1 1 7 TRP HB2 H 3.112 -4.985 -2.340 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB2 . . . . . . . . . c30642_6pv1 1 . 5 . 2174 . 1 1 7 TRP HB3 H 3.078 -6.179 -1.053 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB3 . . . . . . . . . c30642_6pv1 1 . 5 . 2175 . 1 1 7 TRP HD1 H 5.311 -7.580 -0.614 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HD1 . . . . . . . . . c30642_6pv1 1 . 5 . 2176 . 1 1 7 TRP HE1 H 7.755 -7.193 -1.320 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE1 . . . . . . . . . c30642_6pv1 1 . 5 . 2177 . 1 1 7 TRP HE3 H 4.551 -4.072 -4.240 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE3 . . . . . . . . . c30642_6pv1 1 . 5 . 2178 . 1 1 7 TRP HH2 H 8.761 -3.913 -4.909 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HH2 . . . . . . . . . c30642_6pv1 1 . 5 . 2179 . 1 1 7 TRP HZ2 H 9.172 -5.600 -3.171 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ2 . . . . . . . . . c30642_6pv1 1 . 5 . 2180 . 1 1 7 TRP HZ3 H 6.502 -3.165 -5.434 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ3 . . . . . . . . . c30642_6pv1 1 . 5 . 2181 . 1 1 7 TRP N N 1.231 -6.710 -3.000 . . . 1.0 . . . . . . . . . . . . A . 7 TRP N . . . . . . . . . c30642_6pv1 1 . 5 . 2182 . 1 1 7 TRP NE1 N 6.990 -6.727 -1.722 . . . 1.0 . . . . . . . . . . . . A . 7 TRP NE1 . . . . . . . . . c30642_6pv1 1 . 5 . 2183 . 1 1 7 TRP O O 2.126 -8.941 -1.746 . . . 1.0 . . . . . . . . . . . . A . 7 TRP O . . . . . . . . . c30642_6pv1 1 . 5 . 2184 . 1 1 8 ABA C C 4.351 -10.625 -1.230 . . . 1.0 . . . . . . . . . . . . A . 8 AIB C . . . . . . . . . c30642_6pv1 1 . 5 . 2185 . 1 1 8 ABA CA C 4.336 -10.389 -2.751 . . . 1.0 . . . . . . . . . . . . A . 8 AIB CA . . . . . . . . . c30642_6pv1 1 . 5 . 2186 . 1 1 8 ABA H H 4.546 -8.485 -3.658 . . . 1.0 . . . . . . . . . . . . A . 8 AIB H . . . . . . . . . c30642_6pv1 1 . 5 . 2187 . 1 1 8 ABA N N 3.975 -8.998 -3.051 . . . 1.0 . . . . . . . . . . . . A . 8 AIB N . . . . . . . . . c30642_6pv1 1 . 5 . 2188 . 1 1 8 ABA O O 5.304 -10.247 -0.542 . . . 1.0 . . . . . . . . . . . . A . 8 AIB O . . . . . . . . . c30642_6pv1 1 . 5 . 2189 . 1 1 9 GLY C C 2.820 -10.468 1.598 . . . 1.0 . . . . . . . . . . . . A . 9 GLY C . . . . . . . . . c30642_6pv1 1 . 5 . 2190 . 1 1 9 GLY CA C 3.235 -11.603 0.683 . . . 1.0 . . . . . . . . . . . . A . 9 GLY CA . . . . . . . . . c30642_6pv1 1 . 5 . 2191 . 1 1 9 GLY H H 2.509 -11.405 -1.288 . . . 1.0 . . . . . . . . . . . . A . 9 GLY H . . . . . . . . . c30642_6pv1 1 . 5 . 2192 . 1 1 9 GLY HA2 H 2.534 -12.416 0.798 . . . 1.0 . . . . . . . . . . . . A . 9 GLY HA2 . . . . . . . . . c30642_6pv1 1 . 5 . 2193 . 1 1 9 GLY HA3 H 4.214 -11.947 0.980 . . . 1.0 . . . . . . . . . . . . A . 9 GLY HA3 . . . . . . . . . c30642_6pv1 1 . 5 . 2194 . 1 1 9 GLY N N 3.283 -11.226 -0.713 . . . 1.0 . . . . . . . . . . . . A . 9 GLY N . . . . . . . . . c30642_6pv1 1 . 5 . 2195 . 1 1 9 GLY O O 3.191 -10.452 2.771 . . . 1.0 . . . . . . . . . . . . A . 9 GLY O . . . . . . . . . c30642_6pv1 1 . 5 . 2196 . 1 1 10 CYS C C 0.098 -8.511 2.167 . . . 1.0 . . . . . . . . . . . . A . 10 CYS C . . . . . . . . . c30642_6pv1 1 . 5 . 2197 . 1 1 10 CYS CA C 1.599 -8.400 1.890 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CA . . . . . . . . . c30642_6pv1 1 . 5 . 2198 . 1 1 10 CYS CB C 1.927 -7.075 1.212 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CB . . . . . . . . . c30642_6pv1 1 . 5 . 2199 . 1 1 10 CYS H H 1.820 -9.546 0.123 . . . 1.0 . . . . . . . . . . . . A . 10 CYS H . . . . . . . . . c30642_6pv1 1 . 5 . 2200 . 1 1 10 CYS HA H 2.124 -8.444 2.830 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HA . . . . . . . . . c30642_6pv1 1 . 5 . 2201 . 1 1 10 CYS HB2 H 2.956 -7.090 0.887 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB2 . . . . . . . . . c30642_6pv1 1 . 5 . 2202 . 1 1 10 CYS HB3 H 1.287 -6.953 0.353 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB3 . . . . . . . . . c30642_6pv1 1 . 5 . 2203 . 1 1 10 CYS N N 2.062 -9.511 1.075 . . . 1.0 . . . . . . . . . . . . A . 10 CYS N . . . . . . . . . c30642_6pv1 1 . 5 . 2204 . 1 1 10 CYS O O -0.306 -9.038 3.207 . . . 1.0 . . . . . . . . . . . . A . 10 CYS O . . . . . . . . . c30642_6pv1 1 . 5 . 2205 . 1 1 10 CYS SG S 1.708 -5.633 2.275 . . . 1.0 . . . . . . . . . . . . A . 10 CYS SG . . . . . . . . . c30642_6pv1 1 . 5 . 2206 . 1 1 11 GLY C C -2.678 -7.112 2.460 . . . 1.0 . . . . . . . . . . . . A . 11 GLY C . . . . . . . . . c30642_6pv1 1 . 5 . 2207 . 1 1 11 GLY CA C -2.167 -8.105 1.430 . . . 1.0 . . . . . . . . . . . . A . 11 GLY CA . . . . . . . . . c30642_6pv1 1 . 5 . 2208 . 1 1 11 GLY H H -0.367 -7.642 0.414 . . . 1.0 . . . . . . . . . . . . A . 11 GLY H . . . . . . . . . c30642_6pv1 1 . 5 . 2209 . 1 1 11 GLY HA2 H -2.649 -7.904 0.487 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA2 . . . . . . . . . c30642_6pv1 1 . 5 . 2210 . 1 1 11 GLY HA3 H -2.427 -9.103 1.748 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA3 . . . . . . . . . c30642_6pv1 1 . 5 . 2211 . 1 1 11 GLY N N -0.730 -8.034 1.240 . . . 1.0 . . . . . . . . . . . . A . 11 GLY N . . . . . . . . . c30642_6pv1 1 . 5 . 2212 . 1 1 11 GLY O O -3.609 -7.409 3.212 . . . 1.0 . . . . . . . . . . . . A . 11 GLY O . . . . . . . . . c30642_6pv1 1 . 5 . 2213 . 1 1 12 LYS C C -3.635 -4.093 2.715 . . . 1.0 . . . . . . . . . . . . A . 12 LYS C . . . . . . . . . c30642_6pv1 1 . 5 . 2214 . 1 1 12 LYS CA C -2.510 -4.873 3.395 . . . 1.0 . . . . . . . . . . . . A . 12 LYS CA . . . . . . . . . c30642_6pv1 1 . 5 . 2215 . 1 1 12 LYS CB C -1.342 -3.936 3.717 . . . 1.0 . . . . . . . . . . . . A . 12 LYS CB . . . . . . . . . c30642_6pv1 1 . 5 . 2216 . 1 1 12 LYS CD C -1.077 -4.274 6.191 . . . 1.0 . . . . . . . . . . . . A . 12 LYS CD . . . . . . . . . c30642_6pv1 1 . 5 . 2217 . 1 1 12 LYS CE C -0.932 -3.589 7.541 . . . 1.0 . . . . . . . . . . . . A . 12 LYS CE . . . . . . . . . c30642_6pv1 1 . 5 . 2218 . 1 1 12 LYS CG C -1.420 -3.284 5.089 . . . 1.0 . . . . . . . . . . . . A . 12 LYS CG . . . . . . . . . c30642_6pv1 1 . 5 . 2219 . 1 1 12 LYS H H -1.285 -5.789 1.935 . . . 1.0 . . . . . . . . . . . . A . 12 LYS H . . . . . . . . . c30642_6pv1 1 . 5 . 2220 . 1 1 12 LYS HA H -2.881 -5.317 4.304 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HA . . . . . . . . . c30642_6pv1 1 . 5 . 2221 . 1 1 12 LYS HB2 H -0.421 -4.499 3.666 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HB2 . . . . . . . . . c30642_6pv1 1 . 5 . 2222 . 1 1 12 LYS HB3 H -1.311 -3.152 2.975 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HB3 . . . . . . . . . c30642_6pv1 1 . 5 . 2223 . 1 1 12 LYS HD2 H -1.862 -5.011 6.257 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HD2 . . . . . . . . . c30642_6pv1 1 . 5 . 2224 . 1 1 12 LYS HD3 H -0.145 -4.761 5.943 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HD3 . . . . . . . . . c30642_6pv1 1 . 5 . 2225 . 1 1 12 LYS HE2 H -0.602 -4.318 8.265 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HE2 . . . . . . . . . c30642_6pv1 1 . 5 . 2226 . 1 1 12 LYS HE3 H -0.188 -2.810 7.453 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HE3 . . . . . . . . . c30642_6pv1 1 . 5 . 2227 . 1 1 12 LYS HG2 H -0.721 -2.462 5.128 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HG2 . . . . . . . . . c30642_6pv1 1 . 5 . 2228 . 1 1 12 LYS HG3 H -2.422 -2.915 5.245 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HG3 . . . . . . . . . c30642_6pv1 1 . 5 . 2229 . 1 1 12 LYS HZ1 H -2.958 -3.707 8.031 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HZ1 . . . . . . . . . c30642_6pv1 1 . 5 . 2230 . 1 1 12 LYS HZ2 H -2.497 -2.212 7.383 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HZ2 . . . . . . . . . c30642_6pv1 1 . 5 . 2231 . 1 1 12 LYS HZ3 H -2.087 -2.608 8.972 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HZ3 . . . . . . . . . c30642_6pv1 1 . 5 . 2232 . 1 1 12 LYS N N -2.063 -5.940 2.507 . . . 1.0 . . . . . . . . . . . . A . 12 LYS N . . . . . . . . . c30642_6pv1 1 . 5 . 2233 . 1 1 12 LYS NZ N -2.206 -2.988 8.012 . . . 1.0 . . . . . . . . . . . . A . 12 LYS NZ . . . . . . . . . c30642_6pv1 1 . 5 . 2234 . 1 1 12 LYS O O -3.466 -3.612 1.597 . . . 1.0 . . . . . . . . . . . . A . 12 LYS O . . . . . . . . . c30642_6pv1 1 . 5 . 2235 . 1 1 13 ARG C C -6.228 -1.974 3.350 . . . 1.0 . . . . . . . . . . . . A . 13 ARG C . . . . . . . . . c30642_6pv1 1 . 5 . 2236 . 1 1 13 ARG CA C -5.945 -3.353 2.761 . . . 1.0 . . . . . . . . . . . . A . 13 ARG CA . . . . . . . . . c30642_6pv1 1 . 5 . 2237 . 1 1 13 ARG CB C -7.173 -4.250 2.916 . . . 1.0 . . . . . . . . . . . . A . 13 ARG CB . . . . . . . . . c30642_6pv1 1 . 5 . 2238 . 1 1 13 ARG CD C -8.307 -6.409 2.337 . . . 1.0 . . . . . . . . . . . . A . 13 ARG CD . . . . . . . . . c30642_6pv1 1 . 5 . 2239 . 1 1 13 ARG CG C -7.029 -5.597 2.233 . . . 1.0 . . . . . . . . . . . . A . 13 ARG CG . . . . . . . . . c30642_6pv1 1 . 5 . 2240 . 1 1 13 ARG CZ C -9.130 -8.178 0.822 . . . 1.0 . . . . . . . . . . . . A . 13 ARG CZ . . . . . . . . . c30642_6pv1 1 . 5 . 2241 . 1 1 13 ARG H H -4.836 -4.309 4.296 . . . 1.0 . . . . . . . . . . . . A . 13 ARG H . . . . . . . . . c30642_6pv1 1 . 5 . 2242 . 1 1 13 ARG HA H -5.734 -3.236 1.708 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HA . . . . . . . . . c30642_6pv1 1 . 5 . 2243 . 1 1 13 ARG HB2 H -7.351 -4.420 3.968 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HB2 . . . . . . . . . c30642_6pv1 1 . 5 . 2244 . 1 1 13 ARG HB3 H -8.030 -3.746 2.494 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HB3 . . . . . . . . . c30642_6pv1 1 . 5 . 2245 . 1 1 13 ARG HD2 H -8.522 -6.589 3.379 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HD2 . . . . . . . . . c30642_6pv1 1 . 5 . 2246 . 1 1 13 ARG HD3 H -9.112 -5.841 1.898 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HD3 . . . . . . . . . c30642_6pv1 1 . 5 . 2247 . 1 1 13 ARG HE H -7.386 -8.227 1.810 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HE . . . . . . . . . c30642_6pv1 1 . 5 . 2248 . 1 1 13 ARG HG2 H -6.800 -5.440 1.191 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HG2 . . . . . . . . . c30642_6pv1 1 . 5 . 2249 . 1 1 13 ARG HG3 H -6.226 -6.144 2.703 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HG3 . . . . . . . . . c30642_6pv1 1 . 5 . 2250 . 1 1 13 ARG HH11 H -10.934 -7.849 -0.049 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HH11 . . . . . . . . . c30642_6pv1 1 . 5 . 2251 . 1 1 13 ARG HH12 H -10.377 -6.584 0.999 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HH12 . . . . . . . . . c30642_6pv1 1 . 5 . 2252 . 1 1 13 ARG HH21 H -8.121 -9.891 0.425 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HH21 . . . . . . . . . c30642_6pv1 1 . 5 . 2253 . 1 1 13 ARG HH22 H -9.653 -9.732 -0.371 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HH22 . . . . . . . . . c30642_6pv1 1 . 5 . 2254 . 1 1 13 ARG N N -4.776 -3.977 3.375 . . . 1.0 . . . . . . . . . . . . A . 13 ARG N . . . . . . . . . c30642_6pv1 1 . 5 . 2255 . 1 1 13 ARG NE N -8.199 -7.693 1.644 . . . 1.0 . . . . . . . . . . . . A . 13 ARG NE . . . . . . . . . c30642_6pv1 1 . 5 . 2256 . 1 1 13 ARG NH1 N -10.235 -7.481 0.571 . . . 1.0 . . . . . . . . . . . . A . 13 ARG NH1 . . . . . . . . . c30642_6pv1 1 . 5 . 2257 . 1 1 13 ARG NH2 N -8.953 -9.360 0.246 . . . 1.0 . . . . . . . . . . . . A . 13 ARG NH2 . . . . . . . . . c30642_6pv1 1 . 5 . 2258 . 1 1 13 ARG O O -6.104 -1.761 4.556 . . . 1.0 . . . . . . . . . . . . A . 13 ARG O . . . . . . . . . c30642_6pv1 1 . 5 . 2259 . 1 1 14 PHE C C -8.179 0.803 2.195 . . . 1.0 . . . . . . . . . . . . A . 14 PHE C . . . . . . . . . c30642_6pv1 1 . 5 . 2260 . 1 1 14 PHE CA C -6.887 0.333 2.859 . . . 1.0 . . . . . . . . . . . . A . 14 PHE CA . . . . . . . . . c30642_6pv1 1 . 5 . 2261 . 1 1 14 PHE CB C -5.725 1.230 2.422 . . . 1.0 . . . . . . . . . . . . A . 14 PHE CB . . . . . . . . . c30642_6pv1 1 . 5 . 2262 . 1 1 14 PHE CD1 C -3.911 1.004 4.131 . . . 1.0 . . . . . . . . . . . . A . 14 PHE CD1 . . . . . . . . . c30642_6pv1 1 . 5 . 2263 . 1 1 14 PHE CD2 C -3.609 -0.035 2.009 . . . 1.0 . . . . . . . . . . . . A . 14 PHE CD2 . . . . . . . . . c30642_6pv1 1 . 5 . 2264 . 1 1 14 PHE CE1 C -2.680 0.543 4.536 . . . 1.0 . . . . . . . . . . . . A . 14 PHE CE1 . . . . . . . . . c30642_6pv1 1 . 5 . 2265 . 1 1 14 PHE CE2 C -2.376 -0.499 2.408 . . . 1.0 . . . . . . . . . . . . A . 14 PHE CE2 . . . . . . . . . c30642_6pv1 1 . 5 . 2266 . 1 1 14 PHE CG C -4.389 0.720 2.864 . . . 1.0 . . . . . . . . . . . . A . 14 PHE CG . . . . . . . . . c30642_6pv1 1 . 5 . 2267 . 1 1 14 PHE CZ C -1.925 -0.234 3.688 . . . 1.0 . . . . . . . . . . . . A . 14 PHE CZ . . . . . . . . . c30642_6pv1 1 . 5 . 2268 . 1 1 14 PHE H H -6.685 -1.293 1.530 . . . 1.0 . . . . . . . . . . . . A . 14 PHE H . . . . . . . . . c30642_6pv1 1 . 5 . 2269 . 1 1 14 PHE HA H -6.994 0.378 3.932 . . . 1.0 . . . . . . . . . . . . A . 14 PHE HA . . . . . . . . . c30642_6pv1 1 . 5 . 2270 . 1 1 14 PHE HB2 H -5.714 1.299 1.345 . . . 1.0 . . . . . . . . . . . . A . 14 PHE HB2 . . . . . . . . . c30642_6pv1 1 . 5 . 2271 . 1 1 14 PHE HB3 H -5.859 2.215 2.841 . . . 1.0 . . . . . . . . . . . . A . 14 PHE HB3 . . . . . . . . . c30642_6pv1 1 . 5 . 2272 . 1 1 14 PHE HD1 H -4.512 1.597 4.803 . . . 1.0 . . . . . . . . . . . . A . 14 PHE HD1 . . . . . . . . . c30642_6pv1 1 . 5 . 2273 . 1 1 14 PHE HD2 H -3.975 -0.259 1.018 . . . 1.0 . . . . . . . . . . . . A . 14 PHE HD2 . . . . . . . . . c30642_6pv1 1 . 5 . 2274 . 1 1 14 PHE HE1 H -2.315 0.768 5.528 . . . 1.0 . . . . . . . . . . . . A . 14 PHE HE1 . . . . . . . . . c30642_6pv1 1 . 5 . 2275 . 1 1 14 PHE HE2 H -1.776 -1.088 1.732 . . . 1.0 . . . . . . . . . . . . A . 14 PHE HE2 . . . . . . . . . c30642_6pv1 1 . 5 . 2276 . 1 1 14 PHE HZ H -0.963 -0.606 4.008 . . . 1.0 . . . . . . . . . . . . A . 14 PHE HZ . . . . . . . . . c30642_6pv1 1 . 5 . 2277 . 1 1 14 PHE N N -6.606 -1.045 2.478 . . . 1.0 . . . . . . . . . . . . A . 14 PHE N . . . . . . . . . c30642_6pv1 1 . 5 . 2278 . 1 1 14 PHE O O -8.746 0.094 1.363 . . . 1.0 . . . . . . . . . . . . A . 14 PHE O . . . . . . . . . c30642_6pv1 1 . 5 . 2279 . 1 1 15 THR C C -9.435 3.776 1.105 . . . 1.0 . . . . . . . . . . . . A . 15 THR C . . . . . . . . . c30642_6pv1 1 . 5 . 2280 . 1 1 15 THR CA C -9.833 2.572 1.958 . . . 1.0 . . . . . . . . . . . . A . 15 THR CA . . . . . . . . . c30642_6pv1 1 . 5 . 2281 . 1 1 15 THR CB C -10.855 3.023 3.024 . . . 1.0 . . . . . . . . . . . . A . 15 THR CB . . . . . . . . . c30642_6pv1 1 . 5 . 2282 . 1 1 15 THR CG2 C -12.179 3.425 2.389 . . . 1.0 . . . . . . . . . . . . A . 15 THR CG2 . . . . . . . . . c30642_6pv1 1 . 5 . 2283 . 1 1 15 THR H H -8.215 2.460 3.317 . . . 1.0 . . . . . . . . . . . . A . 15 THR H . . . . . . . . . c30642_6pv1 1 . 5 . 2284 . 1 1 15 THR HA H -10.295 1.827 1.328 . . . 1.0 . . . . . . . . . . . . A . 15 THR HA . . . . . . . . . c30642_6pv1 1 . 5 . 2285 . 1 1 15 THR HB H -10.448 3.877 3.548 . . . 1.0 . . . . . . . . . . . . A . 15 THR HB . . . . . . . . . c30642_6pv1 1 . 5 . 2286 . 1 1 15 THR HG1 H -10.350 1.334 3.917 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG1 . . . . . . . . . c30642_6pv1 1 . 5 . 2287 . 1 1 15 THR HG21 H -12.862 3.753 3.158 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG21 . . . . . . . . . c30642_6pv1 1 . 5 . 2288 . 1 1 15 THR HG22 H -12.602 2.576 1.871 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG22 . . . . . . . . . c30642_6pv1 1 . 5 . 2289 . 1 1 15 THR HG23 H -12.012 4.228 1.687 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG23 . . . . . . . . . c30642_6pv1 1 . 5 . 2290 . 1 1 15 THR N N -8.656 1.980 2.581 . . . 1.0 . . . . . . . . . . . . A . 15 THR N . . . . . . . . . c30642_6pv1 1 . 5 . 2291 . 1 1 15 THR O O -10.227 4.293 0.318 . . . 1.0 . . . . . . . . . . . . A . 15 THR O . . . . . . . . . c30642_6pv1 1 . 5 . 2292 . 1 1 15 THR OG1 O -11.084 1.962 3.961 . . . 1.0 . . . . . . . . . . . . A . 15 THR OG1 . . . . . . . . . c30642_6pv1 1 . 5 . 2293 . 1 1 16 ARG C C -6.536 5.060 -0.332 . . . 1.0 . . . . . . . . . . . . A . 16 ARG C . . . . . . . . . c30642_6pv1 1 . 5 . 2294 . 1 1 16 ARG CA C -7.719 5.398 0.567 . . . 1.0 . . . . . . . . . . . . A . 16 ARG CA . . . . . . . . . c30642_6pv1 1 . 5 . 2295 . 1 1 16 ARG CB C -7.331 6.470 1.588 . . . 1.0 . . . . . . . . . . . . A . 16 ARG CB . . . . . . . . . c30642_6pv1 1 . 5 . 2296 . 1 1 16 ARG CD C -8.064 7.985 3.461 . . . 1.0 . . . . . . . . . . . . A . 16 ARG CD . . . . . . . . . c30642_6pv1 1 . 5 . 2297 . 1 1 16 ARG CG C -8.499 6.945 2.440 . . . 1.0 . . . . . . . . . . . . A . 16 ARG CG . . . . . . . . . c30642_6pv1 1 . 5 . 2298 . 1 1 16 ARG CZ C -6.343 8.220 5.212 . . . 1.0 . . . . . . . . . . . . A . 16 ARG CZ . . . . . . . . . c30642_6pv1 1 . 5 . 2299 . 1 1 16 ARG H H -7.585 3.724 1.845 . . . 1.0 . . . . . . . . . . . . A . 16 ARG H . . . . . . . . . c30642_6pv1 1 . 5 . 2300 . 1 1 16 ARG HA H -8.526 5.770 -0.045 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HA . . . . . . . . . c30642_6pv1 1 . 5 . 2301 . 1 1 16 ARG HB2 H -6.576 6.067 2.245 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HB2 . . . . . . . . . c30642_6pv1 1 . 5 . 2302 . 1 1 16 ARG HB3 H -6.924 7.322 1.064 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HB3 . . . . . . . . . c30642_6pv1 1 . 5 . 2303 . 1 1 16 ARG HD2 H -7.634 8.827 2.939 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HD2 . . . . . . . . . c30642_6pv1 1 . 5 . 2304 . 1 1 16 ARG HD3 H -8.932 8.311 4.014 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HD3 . . . . . . . . . c30642_6pv1 1 . 5 . 2305 . 1 1 16 ARG HE H -6.954 6.480 4.427 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HE . . . . . . . . . c30642_6pv1 1 . 5 . 2306 . 1 1 16 ARG HG2 H -9.248 7.380 1.796 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HG2 . . . . . . . . . c30642_6pv1 1 . 5 . 2307 . 1 1 16 ARG HG3 H -8.919 6.099 2.961 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HG3 . . . . . . . . . c30642_6pv1 1 . 5 . 2308 . 1 1 16 ARG HH11 H -7.145 9.970 4.573 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HH11 . . . . . . . . . c30642_6pv1 1 . 5 . 2309 . 1 1 16 ARG HH12 H -5.941 10.113 5.814 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HH12 . . . . . . . . . c30642_6pv1 1 . 5 . 2310 . 1 1 16 ARG HH21 H -5.346 6.657 6.052 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HH21 . . . . . . . . . c30642_6pv1 1 . 5 . 2311 . 1 1 16 ARG HH22 H -4.917 8.237 6.646 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HH22 . . . . . . . . . c30642_6pv1 1 . 5 . 2312 . 1 1 16 ARG N N -8.196 4.213 1.259 . . . 1.0 . . . . . . . . . . . . A . 16 ARG N . . . . . . . . . c30642_6pv1 1 . 5 . 2313 . 1 1 16 ARG NE N -7.074 7.457 4.400 . . . 1.0 . . . . . . . . . . . . A . 16 ARG NE . . . . . . . . . c30642_6pv1 1 . 5 . 2314 . 1 1 16 ARG NH1 N -6.486 9.541 5.197 . . . 1.0 . . . . . . . . . . . . A . 16 ARG NH1 . . . . . . . . . c30642_6pv1 1 . 5 . 2315 . 1 1 16 ARG NH2 N -5.467 7.663 6.035 . . . 1.0 . . . . . . . . . . . . A . 16 ARG NH2 . . . . . . . . . c30642_6pv1 1 . 5 . 2316 . 1 1 16 ARG O O -5.593 4.385 0.085 . . . 1.0 . . . . . . . . . . . . A . 16 ARG O . . . . . . . . . c30642_6pv1 1 . 5 . 2317 . 1 1 17 SER C C -4.262 5.933 -2.186 . . . 1.0 . . . . . . . . . . . . A . 17 SER C . . . . . . . . . c30642_6pv1 1 . 5 . 2318 . 1 1 17 SER CA C -5.579 5.276 -2.571 . . . 1.0 . . . . . . . . . . . . A . 17 SER CA . . . . . . . . . c30642_6pv1 1 . 5 . 2319 . 1 1 17 SER CB C -6.050 5.787 -3.933 . . . 1.0 . . . . . . . . . . . . A . 17 SER CB . . . . . . . . . c30642_6pv1 1 . 5 . 2320 . 1 1 17 SER H H -7.366 6.105 -1.819 . . . 1.0 . . . . . . . . . . . . A . 17 SER H . . . . . . . . . c30642_6pv1 1 . 5 . 2321 . 1 1 17 SER HA H -5.435 4.207 -2.625 . . . 1.0 . . . . . . . . . . . . A . 17 SER HA . . . . . . . . . c30642_6pv1 1 . 5 . 2322 . 1 1 17 SER HB2 H -5.223 5.780 -4.625 . . . 1.0 . . . . . . . . . . . . A . 17 SER HB2 . . . . . . . . . c30642_6pv1 1 . 5 . 2323 . 1 1 17 SER HB3 H -6.837 5.148 -4.305 . . . 1.0 . . . . . . . . . . . . A . 17 SER HB3 . . . . . . . . . c30642_6pv1 1 . 5 . 2324 . 1 1 17 SER HG H -6.046 7.690 -4.419 . . . 1.0 . . . . . . . . . . . . A . 17 SER HG . . . . . . . . . c30642_6pv1 1 . 5 . 2325 . 1 1 17 SER N N -6.603 5.541 -1.570 . . . 1.0 . . . . . . . . . . . . A . 17 SER N . . . . . . . . . c30642_6pv1 1 . 5 . 2326 . 1 1 17 SER O O -3.186 5.394 -2.441 . . . 1.0 . . . . . . . . . . . . A . 17 SER O . . . . . . . . . c30642_6pv1 1 . 5 . 2327 . 1 1 17 SER OG O -6.550 7.114 -3.830 . . . 1.0 . . . . . . . . . . . . A . 17 SER OG . . . . . . . . . c30642_6pv1 1 . 5 . 2328 . 1 1 18 ASP C C -2.539 7.066 0.064 . . . 1.0 . . . . . . . . . . . . A . 18 ASP C . . . . . . . . . c30642_6pv1 1 . 5 . 2329 . 1 1 18 ASP CA C -3.185 7.819 -1.086 . . . 1.0 . . . . . . . . . . . . A . 18 ASP CA . . . . . . . . . c30642_6pv1 1 . 5 . 2330 . 1 1 18 ASP CB C -3.562 9.234 -0.642 . . . 1.0 . . . . . . . . . . . . A . 18 ASP CB . . . . . . . . . c30642_6pv1 1 . 5 . 2331 . 1 1 18 ASP CG C -2.382 10.001 -0.083 . . . 1.0 . . . . . . . . . . . . A . 18 ASP CG . . . . . . . . . c30642_6pv1 1 . 5 . 2332 . 1 1 18 ASP H H -5.253 7.487 -1.425 . . . 1.0 . . . . . . . . . . . . A . 18 ASP H . . . . . . . . . c30642_6pv1 1 . 5 . 2333 . 1 1 18 ASP HA H -2.481 7.880 -1.900 . . . 1.0 . . . . . . . . . . . . A . 18 ASP HA . . . . . . . . . c30642_6pv1 1 . 5 . 2334 . 1 1 18 ASP HB2 H -3.951 9.778 -1.488 . . . 1.0 . . . . . . . . . . . . A . 18 ASP HB2 . . . . . . . . . c30642_6pv1 1 . 5 . 2335 . 1 1 18 ASP HB3 H -4.322 9.176 0.121 . . . 1.0 . . . . . . . . . . . . A . 18 ASP HB3 . . . . . . . . . c30642_6pv1 1 . 5 . 2336 . 1 1 18 ASP N N -4.360 7.098 -1.563 . . . 1.0 . . . . . . . . . . . . A . 18 ASP N . . . . . . . . . c30642_6pv1 1 . 5 . 2337 . 1 1 18 ASP O O -1.319 7.042 0.198 . . . 1.0 . . . . . . . . . . . . A . 18 ASP O . . . . . . . . . c30642_6pv1 1 . 5 . 2338 . 1 1 18 ASP OD1 O -1.508 10.411 -0.874 . . . 1.0 . . . . . . . . . . . . A . 18 ASP OD1 . . . . . . . . . c30642_6pv1 1 . 5 . 2339 . 1 1 18 ASP OD2 O -2.326 10.197 1.152 . . . 1.0 . . . . . . . . . . . . A . 18 ASP OD2 . . . . . . . . . c30642_6pv1 1 . 5 . 2340 . 1 1 19 GLU C C -2.186 4.397 1.487 . . . 1.0 . . . . . . . . . . . . A . 19 GLU C . . . . . . . . . c30642_6pv1 1 . 5 . 2341 . 1 1 19 GLU CA C -2.904 5.640 1.996 . . . 1.0 . . . . . . . . . . . . A . 19 GLU CA . . . . . . . . . c30642_6pv1 1 . 5 . 2342 . 1 1 19 GLU CB C -4.075 5.252 2.901 . . . 1.0 . . . . . . . . . . . . A . 19 GLU CB . . . . . . . . . c30642_6pv1 1 . 5 . 2343 . 1 1 19 GLU CD C -4.798 4.354 5.135 . . . 1.0 . . . . . . . . . . . . A . 19 GLU CD . . . . . . . . . c30642_6pv1 1 . 5 . 2344 . 1 1 19 GLU CG C -3.656 4.520 4.159 . . . 1.0 . . . . . . . . . . . . A . 19 GLU CG . . . . . . . . . c30642_6pv1 1 . 5 . 2345 . 1 1 19 GLU H H -4.334 6.498 0.706 . . . 1.0 . . . . . . . . . . . . A . 19 GLU H . . . . . . . . . c30642_6pv1 1 . 5 . 2346 . 1 1 19 GLU HA H -2.206 6.241 2.559 . . . 1.0 . . . . . . . . . . . . A . 19 GLU HA . . . . . . . . . c30642_6pv1 1 . 5 . 2347 . 1 1 19 GLU HB2 H -4.605 6.146 3.191 . . . 1.0 . . . . . . . . . . . . A . 19 GLU HB2 . . . . . . . . . c30642_6pv1 1 . 5 . 2348 . 1 1 19 GLU HB3 H -4.745 4.612 2.346 . . . 1.0 . . . . . . . . . . . . A . 19 GLU HB3 . . . . . . . . . c30642_6pv1 1 . 5 . 2349 . 1 1 19 GLU HG2 H -3.291 3.543 3.884 . . . 1.0 . . . . . . . . . . . . A . 19 GLU HG2 . . . . . . . . . c30642_6pv1 1 . 5 . 2350 . 1 1 19 GLU HG3 H -2.867 5.079 4.640 . . . 1.0 . . . . . . . . . . . . A . 19 GLU HG3 . . . . . . . . . c30642_6pv1 1 . 5 . 2351 . 1 1 19 GLU N N -3.375 6.432 0.874 . . . 1.0 . . . . . . . . . . . . A . 19 GLU N . . . . . . . . . c30642_6pv1 1 . 5 . 2352 . 1 1 19 GLU O O -1.129 4.028 1.996 . . . 1.0 . . . . . . . . . . . . A . 19 GLU O . . . . . . . . . c30642_6pv1 1 . 5 . 2353 . 1 1 19 GLU OE1 O -4.863 5.124 6.112 . . . 1.0 . . . . . . . . . . . . A . 19 GLU OE1 . . . . . . . . . c30642_6pv1 1 . 5 . 2354 . 1 1 19 GLU OE2 O -5.643 3.463 4.924 . . . 1.0 . . . . . . . . . . . . A . 19 GLU OE2 . . . . . . . . . c30642_6pv1 1 . 5 . 2355 . 1 1 20 LEU C C -0.799 3.058 -0.810 . . . 1.0 . . . . . . . . . . . . A . 20 LEU C . . . . . . . . . c30642_6pv1 1 . 5 . 2356 . 1 1 20 LEU CA C -2.129 2.637 -0.195 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CA . . . . . . . . . c30642_6pv1 1 . 5 . 2357 . 1 1 20 LEU CB C -3.050 2.064 -1.280 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CB . . . . . . . . . c30642_6pv1 1 . 5 . 2358 . 1 1 20 LEU CD1 C -1.974 -0.203 -1.399 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CD1 . . . . . . . . . c30642_6pv1 1 . 5 . 2359 . 1 1 20 LEU CD2 C -3.351 0.614 -3.315 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CD2 . . . . . . . . . c30642_6pv1 1 . 5 . 2360 . 1 1 20 LEU CG C -2.403 1.017 -2.196 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CG . . . . . . . . . c30642_6pv1 1 . 5 . 2361 . 1 1 20 LEU H H -3.657 4.056 0.171 . . . 1.0 . . . . . . . . . . . . A . 20 LEU H . . . . . . . . . c30642_6pv1 1 . 5 . 2362 . 1 1 20 LEU HA H -1.941 1.875 0.546 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HA . . . . . . . . . c30642_6pv1 1 . 5 . 2363 . 1 1 20 LEU HB2 H -3.904 1.614 -0.795 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HB2 . . . . . . . . . c30642_6pv1 1 . 5 . 2364 . 1 1 20 LEU HB3 H -3.397 2.881 -1.893 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HB3 . . . . . . . . . c30642_6pv1 1 . 5 . 2365 . 1 1 20 LEU HD11 H -2.838 -0.655 -0.935 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD11 . . . . . . . . . c30642_6pv1 1 . 5 . 2366 . 1 1 20 LEU HD12 H -1.269 0.095 -0.636 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD12 . . . . . . . . . c30642_6pv1 1 . 5 . 2367 . 1 1 20 LEU HD13 H -1.507 -0.917 -2.061 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD13 . . . . . . . . . c30642_6pv1 1 . 5 . 2368 . 1 1 20 LEU HD21 H -4.171 0.042 -2.906 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD21 . . . . . . . . . c30642_6pv1 1 . 5 . 2369 . 1 1 20 LEU HD22 H -2.820 0.013 -4.038 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD22 . . . . . . . . . c30642_6pv1 1 . 5 . 2370 . 1 1 20 LEU HD23 H -3.737 1.500 -3.799 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD23 . . . . . . . . . c30642_6pv1 1 . 5 . 2371 . 1 1 20 LEU HG H -1.518 1.445 -2.645 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HG . . . . . . . . . c30642_6pv1 1 . 5 . 2372 . 1 1 20 LEU N N -2.768 3.764 0.471 . . . 1.0 . . . . . . . . . . . . A . 20 LEU N . . . . . . . . . c30642_6pv1 1 . 5 . 2373 . 1 1 20 LEU O O 0.197 2.355 -0.682 . . . 1.0 . . . . . . . . . . . . A . 20 LEU O . . . . . . . . . c30642_6pv1 1 . 5 . 2374 . 1 1 21 GLN C C 1.503 4.947 -1.024 . . . 1.0 . . . . . . . . . . . . A . 21 GLN C . . . . . . . . . c30642_6pv1 1 . 5 . 2375 . 1 1 21 GLN CA C 0.426 4.729 -2.085 . . . 1.0 . . . . . . . . . . . . A . 21 GLN CA . . . . . . . . . c30642_6pv1 1 . 5 . 2376 . 1 1 21 GLN CB C 0.134 6.042 -2.813 . . . 1.0 . . . . . . . . . . . . A . 21 GLN CB . . . . . . . . . c30642_6pv1 1 . 5 . 2377 . 1 1 21 GLN CD C 1.737 5.740 -4.738 . . . 1.0 . . . . . . . . . . . . A . 21 GLN CD . . . . . . . . . c30642_6pv1 1 . 5 . 2378 . 1 1 21 GLN CG C 1.334 6.600 -3.558 . . . 1.0 . . . . . . . . . . . . A . 21 GLN CG . . . . . . . . . c30642_6pv1 1 . 5 . 2379 . 1 1 21 GLN H H -1.631 4.713 -1.567 . . . 1.0 . . . . . . . . . . . . A . 21 GLN H . . . . . . . . . c30642_6pv1 1 . 5 . 2380 . 1 1 21 GLN HA H 0.780 3.999 -2.797 . . . 1.0 . . . . . . . . . . . . A . 21 GLN HA . . . . . . . . . c30642_6pv1 1 . 5 . 2381 . 1 1 21 GLN HB2 H -0.660 5.877 -3.525 . . . 1.0 . . . . . . . . . . . . A . 21 GLN HB2 . . . . . . . . . c30642_6pv1 1 . 5 . 2382 . 1 1 21 GLN HB3 H -0.189 6.777 -2.091 . . . 1.0 . . . . . . . . . . . . A . 21 GLN HB3 . . . . . . . . . c30642_6pv1 1 . 5 . 2383 . 1 1 21 GLN HE21 H 0.517 6.763 -5.923 . . . 1.0 . . . . . . . . . . . . A . 21 GLN HE21 . . . . . . . . . c30642_6pv1 1 . 5 . 2384 . 1 1 21 GLN HE22 H 1.410 5.492 -6.679 . . . 1.0 . . . . . . . . . . . . A . 21 GLN HE22 . . . . . . . . . c30642_6pv1 1 . 5 . 2385 . 1 1 21 GLN HG2 H 1.092 7.587 -3.916 . . . 1.0 . . . . . . . . . . . . A . 21 GLN HG2 . . . . . . . . . c30642_6pv1 1 . 5 . 2386 . 1 1 21 GLN HG3 H 2.169 6.660 -2.874 . . . 1.0 . . . . . . . . . . . . A . 21 GLN HG3 . . . . . . . . . c30642_6pv1 1 . 5 . 2387 . 1 1 21 GLN N N -0.792 4.206 -1.476 . . . 1.0 . . . . . . . . . . . . A . 21 GLN N . . . . . . . . . c30642_6pv1 1 . 5 . 2388 . 1 1 21 GLN NE2 N 1.163 6.025 -5.894 . . . 1.0 . . . . . . . . . . . . A . 21 GLN NE2 . . . . . . . . . c30642_6pv1 1 . 5 . 2389 . 1 1 21 GLN O O 2.638 4.480 -1.164 . . . 1.0 . . . . . . . . . . . . A . 21 GLN O . . . . . . . . . c30642_6pv1 1 . 5 . 2390 . 1 1 21 GLN OE1 O 2.548 4.825 -4.611 . . . 1.0 . . . . . . . . . . . . A . 21 GLN OE1 . . . . . . . . . c30642_6pv1 1 . 5 . 2391 . 1 1 22 ARG C C 2.587 4.581 1.671 . . . 1.0 . . . . . . . . . . . . A . 22 ARG C . . . . . . . . . c30642_6pv1 1 . 5 . 2392 . 1 1 22 ARG CA C 2.015 5.898 1.165 . . . 1.0 . . . . . . . . . . . . A . 22 ARG CA . . . . . . . . . c30642_6pv1 1 . 5 . 2393 . 1 1 22 ARG CB C 1.250 6.607 2.285 . . . 1.0 . . . . . . . . . . . . A . 22 ARG CB . . . . . . . . . c30642_6pv1 1 . 5 . 2394 . 1 1 22 ARG CD C 1.257 7.586 4.592 . . . 1.0 . . . . . . . . . . . . A . 22 ARG CD . . . . . . . . . c30642_6pv1 1 . 5 . 2395 . 1 1 22 ARG CG C 2.097 6.945 3.499 . . . 1.0 . . . . . . . . . . . . A . 22 ARG CG . . . . . . . . . c30642_6pv1 1 . 5 . 2396 . 1 1 22 ARG CZ C -0.688 7.013 6.001 . . . 1.0 . . . . . . . . . . . . A . 22 ARG CZ . . . . . . . . . c30642_6pv1 1 . 5 . 2397 . 1 1 22 ARG H H 0.215 6.019 0.066 . . . 1.0 . . . . . . . . . . . . A . 22 ARG H . . . . . . . . . c30642_6pv1 1 . 5 . 2398 . 1 1 22 ARG HA H 2.821 6.528 0.829 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HA . . . . . . . . . c30642_6pv1 1 . 5 . 2399 . 1 1 22 ARG HB2 H 0.841 7.526 1.893 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HB2 . . . . . . . . . c30642_6pv1 1 . 5 . 2400 . 1 1 22 ARG HB3 H 0.438 5.975 2.606 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HB3 . . . . . . . . . c30642_6pv1 1 . 5 . 2401 . 1 1 22 ARG HD2 H 1.913 7.915 5.384 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HD2 . . . . . . . . . c30642_6pv1 1 . 5 . 2402 . 1 1 22 ARG HD3 H 0.740 8.438 4.177 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HD3 . . . . . . . . . c30642_6pv1 1 . 5 . 2403 . 1 1 22 ARG HE H 0.336 5.713 4.877 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HE . . . . . . . . . c30642_6pv1 1 . 5 . 2404 . 1 1 22 ARG HG2 H 2.539 6.038 3.881 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HG2 . . . . . . . . . c30642_6pv1 1 . 5 . 2405 . 1 1 22 ARG HG3 H 2.877 7.633 3.204 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HG3 . . . . . . . . . c30642_6pv1 1 . 5 . 2406 . 1 1 22 ARG HH11 H -1.539 8.549 7.017 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HH11 . . . . . . . . . c30642_6pv1 1 . 5 . 2407 . 1 1 22 ARG HH12 H -0.200 8.984 6.006 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HH12 . . . . . . . . . c30642_6pv1 1 . 5 . 2408 . 1 1 22 ARG HH21 H -2.243 6.355 7.120 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HH21 . . . . . . . . . c30642_6pv1 1 . 5 . 2409 . 1 1 22 ARG HH22 H -1.424 5.136 6.194 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HH22 . . . . . . . . . c30642_6pv1 1 . 5 . 2410 . 1 1 22 ARG N N 1.126 5.653 0.039 . . . 1.0 . . . . . . . . . . . . A . 22 ARG N . . . . . . . . . c30642_6pv1 1 . 5 . 2411 . 1 1 22 ARG NE N 0.270 6.658 5.148 . . . 1.0 . . . . . . . . . . . . A . 22 ARG NE . . . . . . . . . c30642_6pv1 1 . 5 . 2412 . 1 1 22 ARG NH1 N -0.820 8.282 6.373 . . . 1.0 . . . . . . . . . . . . A . 22 ARG NH1 . . . . . . . . . c30642_6pv1 1 . 5 . 2413 . 1 1 22 ARG NH2 N -1.520 6.096 6.477 . . . 1.0 . . . . . . . . . . . . A . 22 ARG NH2 . . . . . . . . . c30642_6pv1 1 . 5 . 2414 . 1 1 22 ARG O O 3.804 4.420 1.793 . . . 1.0 . . . . . . . . . . . . A . 22 ARG O . . . . . . . . . c30642_6pv1 1 . 5 . 2415 . 1 1 23 HIS C C 3.073 1.662 1.404 . . . 1.0 . . . . . . . . . . . . A . 23 HIS C . . . . . . . . . c30642_6pv1 1 . 5 . 2416 . 1 1 23 HIS CA C 2.073 2.304 2.368 . . . 1.0 . . . . . . . . . . . . A . 23 HIS CA . . . . . . . . . c30642_6pv1 1 . 5 . 2417 . 1 1 23 HIS CB C 0.825 1.418 2.515 . . . 1.0 . . . . . . . . . . . . A . 23 HIS CB . . . . . . . . . c30642_6pv1 1 . 5 . 2418 . 1 1 23 HIS CD2 C 1.377 -0.915 1.588 . . . 1.0 . . . . . . . . . . . . A . 23 HIS CD2 . . . . . . . . . c30642_6pv1 1 . 5 . 2419 . 1 1 23 HIS CE1 C 1.664 -2.016 3.441 . . . 1.0 . . . . . . . . . . . . A . 23 HIS CE1 . . . . . . . . . c30642_6pv1 1 . 5 . 2420 . 1 1 23 HIS CG C 1.138 -0.044 2.594 . . . 1.0 . . . . . . . . . . . . A . 23 HIS CG . . . . . . . . . c30642_6pv1 1 . 5 . 2421 . 1 1 23 HIS H H 0.738 3.831 1.785 . . . 1.0 . . . . . . . . . . . . A . 23 HIS H . . . . . . . . . c30642_6pv1 1 . 5 . 2422 . 1 1 23 HIS HA H 2.543 2.408 3.333 . . . 1.0 . . . . . . . . . . . . A . 23 HIS HA . . . . . . . . . c30642_6pv1 1 . 5 . 2423 . 1 1 23 HIS HB2 H 0.294 1.694 3.411 . . . 1.0 . . . . . . . . . . . . A . 23 HIS HB2 . . . . . . . . . c30642_6pv1 1 . 5 . 2424 . 1 1 23 HIS HB3 H 0.182 1.573 1.660 . . . 1.0 . . . . . . . . . . . . A . 23 HIS HB3 . . . . . . . . . c30642_6pv1 1 . 5 . 2425 . 1 1 23 HIS HD1 H 1.194 -0.413 4.688 . . . 1.0 . . . . . . . . . . . . A . 23 HIS HD1 . . . . . . . . . c30642_6pv1 1 . 5 . 2426 . 1 1 23 HIS HD2 H 1.296 -0.710 0.532 . . . 1.0 . . . . . . . . . . . . A . 23 HIS HD2 . . . . . . . . . c30642_6pv1 1 . 5 . 2427 . 1 1 23 HIS HE1 H 1.863 -2.813 4.140 . . . 1.0 . . . . . . . . . . . . A . 23 HIS HE1 . . . . . . . . . c30642_6pv1 1 . 5 . 2428 . 1 1 23 HIS N N 1.692 3.631 1.917 . . . 1.0 . . . . . . . . . . . . A . 23 HIS N . . . . . . . . . c30642_6pv1 1 . 5 . 2429 . 1 1 23 HIS ND1 N 1.311 -0.760 3.775 . . . 1.0 . . . . . . . . . . . . A . 23 HIS ND1 . . . . . . . . . c30642_6pv1 1 . 5 . 2430 . 1 1 23 HIS NE2 N 1.710 -2.123 2.140 . . . 1.0 . . . . . . . . . . . . A . 23 HIS NE2 . . . . . . . . . c30642_6pv1 1 . 5 . 2431 . 1 1 23 HIS O O 4.096 1.138 1.828 . . . 1.0 . . . . . . . . . . . . A . 23 HIS O . . . . . . . . . c30642_6pv1 1 . 5 . 2432 . 1 1 24 LYS C C 5.026 1.647 -0.888 . . . 1.0 . . . . . . . . . . . . A . 24 LYS C . . . . . . . . . c30642_6pv1 1 . 5 . 2433 . 1 1 24 LYS CA C 3.621 1.067 -0.893 . . . 1.0 . . . . . . . . . . . . A . 24 LYS CA . . . . . . . . . c30642_6pv1 1 . 5 . 2434 . 1 1 24 LYS CB C 3.022 1.187 -2.295 . . . 1.0 . . . . . . . . . . . . A . 24 LYS CB . . . . . . . . . c30642_6pv1 1 . 5 . 2435 . 1 1 24 LYS CD C 1.366 0.301 -3.962 . . . 1.0 . . . . . . . . . . . . A . 24 LYS CD . . . . . . . . . c30642_6pv1 1 . 5 . 2436 . 1 1 24 LYS CE C 1.062 1.671 -4.548 . . . 1.0 . . . . . . . . . . . . A . 24 LYS CE . . . . . . . . . c30642_6pv1 1 . 5 . 2437 . 1 1 24 LYS CG C 1.749 0.381 -2.495 . . . 1.0 . . . . . . . . . . . . A . 24 LYS CG . . . . . . . . . c30642_6pv1 1 . 5 . 2438 . 1 1 24 LYS H H 1.961 2.184 -0.176 . . . 1.0 . . . . . . . . . . . . A . 24 LYS H . . . . . . . . . c30642_6pv1 1 . 5 . 2439 . 1 1 24 LYS HA H 3.689 0.023 -0.635 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HA . . . . . . . . . c30642_6pv1 1 . 5 . 2440 . 1 1 24 LYS HB2 H 2.796 2.226 -2.489 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HB2 . . . . . . . . . c30642_6pv1 1 . 5 . 2441 . 1 1 24 LYS HB3 H 3.753 0.848 -3.015 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HB3 . . . . . . . . . c30642_6pv1 1 . 5 . 2442 . 1 1 24 LYS HD2 H 2.182 -0.140 -4.512 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HD2 . . . . . . . . . c30642_6pv1 1 . 5 . 2443 . 1 1 24 LYS HD3 H 0.489 -0.323 -4.057 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HD3 . . . . . . . . . c30642_6pv1 1 . 5 . 2444 . 1 1 24 LYS HE2 H 0.206 2.086 -4.036 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HE2 . . . . . . . . . c30642_6pv1 1 . 5 . 2445 . 1 1 24 LYS HE3 H 1.918 2.312 -4.396 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HE3 . . . . . . . . . c30642_6pv1 1 . 5 . 2446 . 1 1 24 LYS HG2 H 1.903 -0.620 -2.120 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HG2 . . . . . . . . . c30642_6pv1 1 . 5 . 2447 . 1 1 24 LYS HG3 H 0.946 0.852 -1.948 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HG3 . . . . . . . . . c30642_6pv1 1 . 5 . 2448 . 1 1 24 LYS HZ1 H 0.516 2.533 -6.367 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HZ1 . . . . . . . . . c30642_6pv1 1 . 5 . 2449 . 1 1 24 LYS HZ2 H -0.029 0.945 -6.171 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HZ2 . . . . . . . . . c30642_6pv1 1 . 5 . 2450 . 1 1 24 LYS HZ3 H 1.599 1.245 -6.517 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HZ3 . . . . . . . . . c30642_6pv1 1 . 5 . 2451 . 1 1 24 LYS N N 2.775 1.710 0.110 . . . 1.0 . . . . . . . . . . . . A . 24 LYS N . . . . . . . . . c30642_6pv1 1 . 5 . 2452 . 1 1 24 LYS NZ N 0.766 1.592 -6.001 . . . 1.0 . . . . . . . . . . . . A . 24 LYS NZ . . . . . . . . . c30642_6pv1 1 . 5 . 2453 . 1 1 24 LYS O O 5.988 0.969 -1.260 . . . 1.0 . . . . . . . . . . . . A . 24 LYS O . . . . . . . . . c30642_6pv1 1 . 5 . 2454 . 1 1 25 ARG C C 7.312 2.964 0.752 . . . 1.0 . . . . . . . . . . . . A . 25 ARG C . . . . . . . . . c30642_6pv1 1 . 5 . 2455 . 1 1 25 ARG CA C 6.453 3.529 -0.380 . . . 1.0 . . . . . . . . . . . . A . 25 ARG CA . . . . . . . . . c30642_6pv1 1 . 5 . 2456 . 1 1 25 ARG CB C 6.289 5.041 -0.244 . . . 1.0 . . . . . . . . . . . . A . 25 ARG CB . . . . . . . . . c30642_6pv1 1 . 5 . 2457 . 1 1 25 ARG CD C 5.476 7.170 -1.304 . . . 1.0 . . . . . . . . . . . . A . 25 ARG CD . . . . . . . . . c30642_6pv1 1 . 5 . 2458 . 1 1 25 ARG CG C 5.651 5.673 -1.467 . . . 1.0 . . . . . . . . . . . . A . 25 ARG CG . . . . . . . . . c30642_6pv1 1 . 5 . 2459 . 1 1 25 ARG CZ C 4.200 8.889 -2.537 . . . 1.0 . . . . . . . . . . . . A . 25 ARG CZ . . . . . . . . . c30642_6pv1 1 . 5 . 2460 . 1 1 25 ARG H H 4.353 3.383 -0.131 . . . 1.0 . . . . . . . . . . . . A . 25 ARG H . . . . . . . . . c30642_6pv1 1 . 5 . 2461 . 1 1 25 ARG HA H 6.951 3.321 -1.317 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HA . . . . . . . . . c30642_6pv1 1 . 5 . 2462 . 1 1 25 ARG HB2 H 5.665 5.250 0.613 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HB2 . . . . . . . . . c30642_6pv1 1 . 5 . 2463 . 1 1 25 ARG HB3 H 7.260 5.490 -0.095 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HB3 . . . . . . . . . c30642_6pv1 1 . 5 . 2464 . 1 1 25 ARG HD2 H 4.792 7.353 -0.489 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HD2 . . . . . . . . . c30642_6pv1 1 . 5 . 2465 . 1 1 25 ARG HD3 H 6.434 7.612 -1.075 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HD3 . . . . . . . . . c30642_6pv1 1 . 5 . 2466 . 1 1 25 ARG HE H 5.165 7.349 -3.375 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HE . . . . . . . . . c30642_6pv1 1 . 5 . 2467 . 1 1 25 ARG HG2 H 6.278 5.486 -2.326 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HG2 . . . . . . . . . c30642_6pv1 1 . 5 . 2468 . 1 1 25 ARG HG3 H 4.682 5.222 -1.626 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HG3 . . . . . . . . . c30642_6pv1 1 . 5 . 2469 . 1 1 25 ARG HH11 H 3.319 10.335 -1.419 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HH11 . . . . . . . . . c30642_6pv1 1 . 5 . 2470 . 1 1 25 ARG HH12 H 4.196 9.141 -0.522 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HH12 . . . . . . . . . c30642_6pv1 1 . 5 . 2471 . 1 1 25 ARG HH21 H 4.018 8.910 -4.555 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HH21 . . . . . . . . . c30642_6pv1 1 . 5 . 2472 . 1 1 25 ARG HH22 H 3.219 10.206 -3.723 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HH22 . . . . . . . . . c30642_6pv1 1 . 5 . 2473 . 1 1 25 ARG N N 5.155 2.886 -0.434 . . . 1.0 . . . . . . . . . . . . A . 25 ARG N . . . . . . . . . c30642_6pv1 1 . 5 . 2474 . 1 1 25 ARG NE N 4.944 7.785 -2.518 . . . 1.0 . . . . . . . . . . . . A . 25 ARG NE . . . . . . . . . c30642_6pv1 1 . 5 . 2475 . 1 1 25 ARG NH1 N 3.880 9.504 -1.404 . . . 1.0 . . . . . . . . . . . . A . 25 ARG NH1 . . . . . . . . . c30642_6pv1 1 . 5 . 2476 . 1 1 25 ARG NH2 N 3.776 9.375 -3.696 . . . 1.0 . . . . . . . . . . . . A . 25 ARG NH2 . . . . . . . . . c30642_6pv1 1 . 5 . 2477 . 1 1 25 ARG O O 8.421 3.441 0.993 . . . 1.0 . . . . . . . . . . . . A . 25 ARG O . . . . . . . . . c30642_6pv1 1 . 5 . 2478 . 1 1 26 THR C C 8.254 0.019 1.701 . . . 1.0 . . . . . . . . . . . . A . 26 THR C . . . . . . . . . c30642_6pv1 1 . 5 . 2479 . 1 1 26 THR CA C 7.603 1.209 2.401 . . . 1.0 . . . . . . . . . . . . A . 26 THR CA . . . . . . . . . c30642_6pv1 1 . 5 . 2480 . 1 1 26 THR CB C 6.787 0.703 3.609 . . . 1.0 . . . . . . . . . . . . A . 26 THR CB . . . . . . . . . c30642_6pv1 1 . 5 . 2481 . 1 1 26 THR CG2 C 6.123 1.861 4.341 . . . 1.0 . . . . . . . . . . . . A . 26 THR CG2 . . . . . . . . . c30642_6pv1 1 . 5 . 2482 . 1 1 26 THR H H 5.848 1.729 1.338 . . . 1.0 . . . . . . . . . . . . A . 26 THR H . . . . . . . . . c30642_6pv1 1 . 5 . 2483 . 1 1 26 THR HA H 8.381 1.866 2.765 . . . 1.0 . . . . . . . . . . . . A . 26 THR HA . . . . . . . . . c30642_6pv1 1 . 5 . 2484 . 1 1 26 THR HB H 7.461 0.207 4.292 . . . 1.0 . . . . . . . . . . . . A . 26 THR HB . . . . . . . . . c30642_6pv1 1 . 5 . 2485 . 1 1 26 THR HG1 H 5.050 0.245 2.779 . . . 1.0 . . . . . . . . . . . . A . 26 THR HG1 . . . . . . . . . c30642_6pv1 1 . 5 . 2486 . 1 1 26 THR HG21 H 5.443 2.368 3.672 . . . 1.0 . . . . . . . . . . . . A . 26 THR HG21 . . . . . . . . . c30642_6pv1 1 . 5 . 2487 . 1 1 26 THR HG22 H 6.879 2.554 4.679 . . . 1.0 . . . . . . . . . . . . A . 26 THR HG22 . . . . . . . . . c30642_6pv1 1 . 5 . 2488 . 1 1 26 THR HG23 H 5.575 1.482 5.192 . . . 1.0 . . . . . . . . . . . . A . 26 THR HG23 . . . . . . . . . c30642_6pv1 1 . 5 . 2489 . 1 1 26 THR N N 6.796 1.958 1.452 . . . 1.0 . . . . . . . . . . . . A . 26 THR N . . . . . . . . . c30642_6pv1 1 . 5 . 2490 . 1 1 26 THR O O 9.288 -0.487 2.141 . . . 1.0 . . . . . . . . . . . . A . 26 THR O . . . . . . . . . c30642_6pv1 1 . 5 . 2491 . 1 1 26 THR OG1 O 5.790 -0.234 3.182 . . . 1.0 . . . . . . . . . . . . A . 26 THR OG1 . . . . . . . . . c30642_6pv1 1 . 5 . 2492 . 1 1 27 HIS C C 9.208 -0.911 -1.179 . . . 1.0 . . . . . . . . . . . . A . 27 HIS C . . . . . . . . . c30642_6pv1 1 . 5 . 2493 . 1 1 27 HIS CA C 8.198 -1.498 -0.206 . . . 1.0 . . . . . . . . . . . . A . 27 HIS CA . . . . . . . . . c30642_6pv1 1 . 5 . 2494 . 1 1 27 HIS CB C 7.122 -2.242 -1.013 . . . 1.0 . . . . . . . . . . . . A . 27 HIS CB . . . . . . . . . c30642_6pv1 1 . 5 . 2495 . 1 1 27 HIS CD2 C 4.731 -2.702 -0.169 . . . 1.0 . . . . . . . . . . . . A . 27 HIS CD2 . . . . . . . . . c30642_6pv1 1 . 5 . 2496 . 1 1 27 HIS CE1 C 5.103 -4.406 1.133 . . . 1.0 . . . . . . . . . . . . A . 27 HIS CE1 . . . . . . . . . c30642_6pv1 1 . 5 . 2497 . 1 1 27 HIS CG C 6.065 -2.934 -0.211 . . . 1.0 . . . . . . . . . . . . A . 27 HIS CG . . . . . . . . . c30642_6pv1 1 . 5 . 2498 . 1 1 27 HIS H H 6.789 -0.016 0.334 . . . 1.0 . . . . . . . . . . . . A . 27 HIS H . . . . . . . . . c30642_6pv1 1 . 5 . 2499 . 1 1 27 HIS HA H 8.701 -2.193 0.450 . . . 1.0 . . . . . . . . . . . . A . 27 HIS HA . . . . . . . . . c30642_6pv1 1 . 5 . 2500 . 1 1 27 HIS HB2 H 6.620 -1.533 -1.656 . . . 1.0 . . . . . . . . . . . . A . 27 HIS HB2 . . . . . . . . . c30642_6pv1 1 . 5 . 2501 . 1 1 27 HIS HB3 H 7.605 -2.988 -1.631 . . . 1.0 . . . . . . . . . . . . A . 27 HIS HB3 . . . . . . . . . c30642_6pv1 1 . 5 . 2502 . 1 1 27 HIS HD1 H 7.165 -4.446 0.803 . . . 1.0 . . . . . . . . . . . . A . 27 HIS HD1 . . . . . . . . . c30642_6pv1 1 . 5 . 2503 . 1 1 27 HIS HD2 H 4.197 -1.940 -0.716 . . . 1.0 . . . . . . . . . . . . A . 27 HIS HD2 . . . . . . . . . c30642_6pv1 1 . 5 . 2504 . 1 1 27 HIS HE1 H 4.951 -5.236 1.806 . . . 1.0 . . . . . . . . . . . . A . 27 HIS HE1 . . . . . . . . . c30642_6pv1 1 . 5 . 2505 . 1 1 27 HIS N N 7.636 -0.428 0.607 . . . 1.0 . . . . . . . . . . . . A . 27 HIS N . . . . . . . . . c30642_6pv1 1 . 5 . 2506 . 1 1 27 HIS ND1 N 6.293 -4.023 0.626 . . . 1.0 . . . . . . . . . . . . A . 27 HIS ND1 . . . . . . . . . c30642_6pv1 1 . 5 . 2507 . 1 1 27 HIS NE2 N 4.158 -3.629 0.672 . . . 1.0 . . . . . . . . . . . . A . 27 HIS NE2 . . . . . . . . . c30642_6pv1 1 . 5 . 2508 . 1 1 27 HIS O O 10.360 -1.339 -1.237 . . . 1.0 . . . . . . . . . . . . A . 27 HIS O . . . . . . . . . c30642_6pv1 1 . 5 . 2509 . 1 1 28 THR C C 10.380 1.867 -2.403 . . . 1.0 . . . . . . . . . . . . A . 28 THR C . . . . . . . . . c30642_6pv1 1 . 5 . 2510 . 1 1 28 THR CA C 9.591 0.687 -2.961 . . . 1.0 . . . . . . . . . . . . A . 28 THR CA . . . . . . . . . c30642_6pv1 1 . 5 . 2511 . 1 1 28 THR CB C 8.739 1.156 -4.160 . . . 1.0 . . . . . . . . . . . . A . 28 THR CB . . . . . . . . . c30642_6pv1 1 . 5 . 2512 . 1 1 28 THR CG2 C 8.199 -0.035 -4.937 . . . 1.0 . . . . . . . . . . . . A . 28 THR CG2 . . . . . . . . . c30642_6pv1 1 . 5 . 2513 . 1 1 28 THR H H 7.848 0.418 -1.806 . . . 1.0 . . . . . . . . . . . . A . 28 THR H . . . . . . . . . c30642_6pv1 1 . 5 . 2514 . 1 1 28 THR HA H 10.282 -0.062 -3.312 . . . 1.0 . . . . . . . . . . . . A . 28 THR HA . . . . . . . . . c30642_6pv1 1 . 5 . 2515 . 1 1 28 THR HB H 9.364 1.742 -4.818 . . . 1.0 . . . . . . . . . . . . A . 28 THR HB . . . . . . . . . c30642_6pv1 1 . 5 . 2516 . 1 1 28 THR HG1 H 7.987 2.668 -3.138 . . . 1.0 . . . . . . . . . . . . A . 28 THR HG1 . . . . . . . . . c30642_6pv1 1 . 5 . 2517 . 1 1 28 THR HG21 H 7.568 -0.629 -4.293 . . . 1.0 . . . . . . . . . . . . A . 28 THR HG21 . . . . . . . . . c30642_6pv1 1 . 5 . 2518 . 1 1 28 THR HG22 H 9.022 -0.637 -5.292 . . . 1.0 . . . . . . . . . . . . A . 28 THR HG22 . . . . . . . . . c30642_6pv1 1 . 5 . 2519 . 1 1 28 THR HG23 H 7.622 0.317 -5.780 . . . 1.0 . . . . . . . . . . . . A . 28 THR HG23 . . . . . . . . . c30642_6pv1 1 . 5 . 2520 . 1 1 28 THR N N 8.762 0.080 -1.939 . . . 1.0 . . . . . . . . . . . . A . 28 THR N . . . . . . . . . c30642_6pv1 1 . 5 . 2521 . 1 1 28 THR O O 9.799 2.881 -2.007 . . . 1.0 . . . . . . . . . . . . A . 28 THR O . . . . . . . . . c30642_6pv1 1 . 5 . 2522 . 1 1 28 THR OG1 O 7.646 1.967 -3.706 . . . 1.0 . . . . . . . . . . . . A . 28 THR OG1 . . . . . . . . . c30642_6pv1 1 . 5 . 2523 . 1 1 29 GLY C C 12.844 3.769 -3.052 . . . 1.0 . . . . . . . . . . . . A . 29 GLY C . . . . . . . . . c30642_6pv1 1 . 5 . 2524 . 1 1 29 GLY CA C 12.548 2.813 -1.919 . . . 1.0 . . . . . . . . . . . . A . 29 GLY CA . . . . . . . . . c30642_6pv1 1 . 5 . 2525 . 1 1 29 GLY H H 12.102 0.870 -2.628 . . . 1.0 . . . . . . . . . . . . A . 29 GLY H . . . . . . . . . c30642_6pv1 1 . 5 . 2526 . 1 1 29 GLY HA2 H 12.054 3.350 -1.122 . . . 1.0 . . . . . . . . . . . . A . 29 GLY HA2 . . . . . . . . . c30642_6pv1 1 . 5 . 2527 . 1 1 29 GLY HA3 H 13.478 2.410 -1.549 . . . 1.0 . . . . . . . . . . . . A . 29 GLY HA3 . . . . . . . . . c30642_6pv1 1 . 5 . 2528 . 1 1 29 GLY N N 11.698 1.725 -2.356 . . . 1.0 . . . . . . . . . . . . A . 29 GLY N . . . . . . . . . c30642_6pv1 1 . 5 . 2529 . 1 1 29 GLY O O 13.824 3.592 -3.778 . . . 1.0 . . . . . . . . . . . . A . 29 GLY O . . . . . . . . . c30642_6pv1 1 . 5 . 2530 . 1 1 30 GLU C C 13.321 6.608 -4.176 . . . 1.0 . . . . . . . . . . . . A . 30 GLU C . . . . . . . . . c30642_6pv1 1 . 5 . 2531 . 1 1 30 GLU CA C 12.091 5.715 -4.317 . . . 1.0 . . . . . . . . . . . . A . 30 GLU CA . . . . . . . . . c30642_6pv1 1 . 5 . 2532 . 1 1 30 GLU CB C 10.833 6.583 -4.390 . . . 1.0 . . . . . . . . . . . . A . 30 GLU CB . . . . . . . . . c30642_6pv1 1 . 5 . 2533 . 1 1 30 GLU CD C 8.315 6.674 -4.520 . . . 1.0 . . . . . . . . . . . . A . 30 GLU CD . . . . . . . . . c30642_6pv1 1 . 5 . 2534 . 1 1 30 GLU CG C 9.538 5.787 -4.413 . . . 1.0 . . . . . . . . . . . . A . 30 GLU CG . . . . . . . . . c30642_6pv1 1 . 5 . 2535 . 1 1 30 GLU H H 11.266 4.884 -2.558 . . . 1.0 . . . . . . . . . . . . A . 30 GLU H . . . . . . . . . c30642_6pv1 1 . 5 . 2536 . 1 1 30 GLU HA H 12.176 5.145 -5.230 . . . 1.0 . . . . . . . . . . . . A . 30 GLU HA . . . . . . . . . c30642_6pv1 1 . 5 . 2537 . 1 1 30 GLU HB2 H 10.811 7.240 -3.535 . . . 1.0 . . . . . . . . . . . . A . 30 GLU HB2 . . . . . . . . . c30642_6pv1 1 . 5 . 2538 . 1 1 30 GLU HB3 H 10.875 7.179 -5.289 . . . 1.0 . . . . . . . . . . . . A . 30 GLU HB3 . . . . . . . . . c30642_6pv1 1 . 5 . 2539 . 1 1 30 GLU HG2 H 9.555 5.121 -5.261 . . . 1.0 . . . . . . . . . . . . A . 30 GLU HG2 . . . . . . . . . c30642_6pv1 1 . 5 . 2540 . 1 1 30 GLU HG3 H 9.468 5.210 -3.503 . . . 1.0 . . . . . . . . . . . . A . 30 GLU HG3 . . . . . . . . . c30642_6pv1 1 . 5 . 2541 . 1 1 30 GLU N N 11.989 4.771 -3.210 . . . 1.0 . . . . . . . . . . . . A . 30 GLU N . . . . . . . . . c30642_6pv1 1 . 5 . 2542 . 1 1 30 GLU O O 13.939 6.665 -3.110 . . . 1.0 . . . . . . . . . . . . A . 30 GLU O . . . . . . . . . c30642_6pv1 1 . 5 . 2543 . 1 1 30 GLU OE1 O 8.015 7.400 -3.548 . . . 1.0 . . . . . . . . . . . . A . 30 GLU OE1 . . . . . . . . . c30642_6pv1 1 . 5 . 2544 . 1 1 30 GLU OE2 O 7.647 6.646 -5.576 . . . 1.0 . . . . . . . . . . . . A . 30 GLU OE2 . . . . . . . . . c30642_6pv1 1 . 5 . 2545 . 1 1 31 LYS C C 16.097 7.469 -5.025 . . . 1.0 . . . . . . . . . . . . A . 31 LYS C . . . . . . . . . c30642_6pv1 1 . 5 . 2546 . 1 1 31 LYS CA C 14.794 8.211 -5.310 . . . 1.0 . . . . . . . . . . . . A . 31 LYS CA . . . . . . . . . c30642_6pv1 1 . 5 . 2547 . 1 1 31 LYS CB C 14.602 9.377 -4.332 . . . 1.0 . . . . . . . . . . . . A . 31 LYS CB . . . . . . . . . c30642_6pv1 1 . 5 . 2548 . 1 1 31 LYS CD C 15.366 11.654 -3.579 . . . 1.0 . . . . . . . . . . . . A . 31 LYS CD . . . . . . . . . c30642_6pv1 1 . 5 . 2549 . 1 1 31 LYS CE C 16.412 12.743 -3.752 . . . 1.0 . . . . . . . . . . . . A . 31 LYS CE . . . . . . . . . c30642_6pv1 1 . 5 . 2550 . 1 1 31 LYS CG C 15.667 10.456 -4.462 . . . 1.0 . . . . . . . . . . . . A . 31 LYS CG . . . . . . . . . c30642_6pv1 1 . 5 . 2551 . 1 1 31 LYS H H 13.113 7.185 -6.076 . . . 1.0 . . . . . . . . . . . . A . 31 LYS H . . . . . . . . . c30642_6pv1 1 . 5 . 2552 . 1 1 31 LYS HA H 14.848 8.609 -6.313 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HA . . . . . . . . . c30642_6pv1 1 . 5 . 2553 . 1 1 31 LYS HB2 H 13.637 9.829 -4.510 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HB2 . . . . . . . . . c30642_6pv1 1 . 5 . 2554 . 1 1 31 LYS HB3 H 14.631 8.994 -3.324 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HB3 . . . . . . . . . c30642_6pv1 1 . 5 . 2555 . 1 1 31 LYS HD2 H 14.398 12.051 -3.843 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HD2 . . . . . . . . . c30642_6pv1 1 . 5 . 2556 . 1 1 31 LYS HD3 H 15.357 11.336 -2.547 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HD3 . . . . . . . . . c30642_6pv1 1 . 5 . 2557 . 1 1 31 LYS HE2 H 17.358 12.374 -3.384 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HE2 . . . . . . . . . c30642_6pv1 1 . 5 . 2558 . 1 1 31 LYS HE3 H 16.502 12.976 -4.802 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HE3 . . . . . . . . . c30642_6pv1 1 . 5 . 2559 . 1 1 31 LYS HG2 H 16.620 10.041 -4.173 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HG2 . . . . . . . . . c30642_6pv1 1 . 5 . 2560 . 1 1 31 LYS HG3 H 15.709 10.779 -5.491 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HG3 . . . . . . . . . c30642_6pv1 1 . 5 . 2561 . 1 1 31 LYS HZ1 H 16.806 14.691 -3.123 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HZ1 . . . . . . . . . c30642_6pv1 1 . 5 . 2562 . 1 1 31 LYS HZ2 H 15.941 13.768 -1.997 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HZ2 . . . . . . . . . c30642_6pv1 1 . 5 . 2563 . 1 1 31 LYS HZ3 H 15.165 14.372 -3.374 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HZ3 . . . . . . . . . c30642_6pv1 1 . 5 . 2564 . 1 1 31 LYS N N 13.654 7.299 -5.265 . . . 1.0 . . . . . . . . . . . . A . 31 LYS N . . . . . . . . . c30642_6pv1 1 . 5 . 2565 . 1 1 31 LYS NZ N 16.056 13.979 -3.009 . . . 1.0 . . . . . . . . . . . . A . 31 LYS NZ . . . . . . . . . c30642_6pv1 1 . 5 . 2566 . 1 1 31 LYS O O 16.605 7.460 -3.901 . . . 1.0 . . . . . . . . . . . . A . 31 LYS O . . . . . . . . . c30642_6pv1 1 . 5 . 2567 . 1 1 32 NH2 HN1 H 16.174 6.897 -6.921 . . . 1.0 . . . . . . . . . . . . A . 32 NH2 HN1 . . . . . . . . . c30642_6pv1 1 . 5 . 2568 . 1 1 32 NH2 HN2 H 17.478 6.360 -5.920 . . . 1.0 . . . . . . . . . . . . A . 32 NH2 HN2 . . . . . . . . . c30642_6pv1 1 . 5 . 2569 . 1 1 32 NH2 N N 16.636 6.846 -6.056 . . . 1.0 . . . . . . . . . . . . A . 32 NH2 N . . . . . . . . . c30642_6pv1 1 . 5 . 2570 . 2 2 1 ZN ZN Zn 2.209 -3.735 1.090 . . . 1.0 . . . . . . . . . . . . A . 101 ZN ZN . . . . . . . . . c30642_6pv1 1 . 6 . 2571 . 1 1 1 ARG C C -12.252 1.019 -2.710 . . . 1.0 . . . . . . . . . . . . A . 1 ARG C . . . . . . . . . c30642_6pv1 1 . 6 . 2572 . 1 1 1 ARG CA C -13.174 1.751 -3.679 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CA . . . . . . . . . c30642_6pv1 1 . 6 . 2573 . 1 1 1 ARG CB C -12.356 2.262 -4.867 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CB . . . . . . . . . c30642_6pv1 1 . 6 . 2574 . 1 1 1 ARG CD C -12.351 3.286 -7.162 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CD . . . . . . . . . c30642_6pv1 1 . 6 . 2575 . 1 1 1 ARG CG C -13.190 2.938 -5.942 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CG . . . . . . . . . c30642_6pv1 1 . 6 . 2576 . 1 1 1 ARG CZ C -10.228 4.458 -7.612 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CZ . . . . . . . . . c30642_6pv1 1 . 6 . 2577 . 1 1 1 ARG H1 H -13.147 3.538 -2.617 . . . 1.0 . . . . . . . . . . . . A . 1 ARG H1 . . . . . . . . . c30642_6pv1 1 . 6 . 2578 . 1 1 1 ARG H2 H -14.422 2.509 -2.203 . . . 1.0 . . . . . . . . . . . . A . 1 ARG H2 . . . . . . . . . c30642_6pv1 1 . 6 . 2579 . 1 1 1 ARG H3 H -14.476 3.374 -3.651 . . . 1.0 . . . . . . . . . . . . A . 1 ARG H3 . . . . . . . . . c30642_6pv1 1 . 6 . 2580 . 1 1 1 ARG HA H -13.929 1.068 -4.035 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HA . . . . . . . . . c30642_6pv1 1 . 6 . 2581 . 1 1 1 ARG HB2 H -11.626 2.972 -4.508 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HB2 . . . . . . . . . c30642_6pv1 1 . 6 . 2582 . 1 1 1 ARG HB3 H -11.839 1.427 -5.317 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HB3 . . . . . . . . . c30642_6pv1 1 . 6 . 2583 . 1 1 1 ARG HD2 H -11.863 2.390 -7.508 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HD2 . . . . . . . . . c30642_6pv1 1 . 6 . 2584 . 1 1 1 ARG HD3 H -13.007 3.656 -7.936 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HD3 . . . . . . . . . c30642_6pv1 1 . 6 . 2585 . 1 1 1 ARG HE H -11.490 4.901 -6.117 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HE . . . . . . . . . c30642_6pv1 1 . 6 . 2586 . 1 1 1 ARG HG2 H -13.984 2.271 -6.241 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HG2 . . . . . . . . . c30642_6pv1 1 . 6 . 2587 . 1 1 1 ARG HG3 H -13.613 3.845 -5.538 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HG3 . . . . . . . . . c30642_6pv1 1 . 6 . 2588 . 1 1 1 ARG HH11 H -9.147 3.750 -9.173 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH11 . . . . . . . . . c30642_6pv1 1 . 6 . 2589 . 1 1 1 ARG HH12 H -10.612 2.886 -8.836 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH12 . . . . . . . . . c30642_6pv1 1 . 6 . 2590 . 1 1 1 ARG HH21 H -8.542 5.553 -7.887 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH21 . . . . . . . . . c30642_6pv1 1 . 6 . 2591 . 1 1 1 ARG HH22 H -9.556 6.068 -6.575 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH22 . . . . . . . . . c30642_6pv1 1 . 6 . 2592 . 1 1 1 ARG N N -13.851 2.870 -2.992 . . . 1.0 . . . . . . . . . . . . A . 1 ARG N . . . . . . . . . c30642_6pv1 1 . 6 . 2593 . 1 1 1 ARG NE N -11.332 4.298 -6.879 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NE . . . . . . . . . c30642_6pv1 1 . 6 . 2594 . 1 1 1 ARG NH1 N -9.976 3.633 -8.621 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NH1 . . . . . . . . . c30642_6pv1 1 . 6 . 2595 . 1 1 1 ARG NH2 N -9.373 5.436 -7.333 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NH2 . . . . . . . . . c30642_6pv1 1 . 6 . 2596 . 1 1 1 ARG O O -11.443 1.648 -2.034 . . . 1.0 . . . . . . . . . . . . A . 1 ARG O . . . . . . . . . c30642_6pv1 1 . 6 . 2597 . 1 1 2 PRO C C -10.077 -1.226 -2.386 . . . 1.0 . . . . . . . . . . . . A . 2 PRO C . . . . . . . . . c30642_6pv1 1 . 6 . 2598 . 1 1 2 PRO CA C -11.472 -1.117 -1.776 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CA . . . . . . . . . c30642_6pv1 1 . 6 . 2599 . 1 1 2 PRO CB C -12.132 -2.502 -1.730 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CB . . . . . . . . . c30642_6pv1 1 . 6 . 2600 . 1 1 2 PRO CD C -13.381 -1.151 -3.269 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CD . . . . . . . . . c30642_6pv1 1 . 6 . 2601 . 1 1 2 PRO CG C -13.480 -2.337 -2.353 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CG . . . . . . . . . c30642_6pv1 1 . 6 . 2602 . 1 1 2 PRO HA H -11.396 -0.715 -0.777 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HA . . . . . . . . . c30642_6pv1 1 . 6 . 2603 . 1 1 2 PRO HB2 H -11.527 -3.202 -2.286 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HB2 . . . . . . . . . c30642_6pv1 1 . 6 . 2604 . 1 1 2 PRO HB3 H -12.211 -2.827 -0.705 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HB3 . . . . . . . . . c30642_6pv1 1 . 6 . 2605 . 1 1 2 PRO HD2 H -13.051 -1.455 -4.252 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HD2 . . . . . . . . . c30642_6pv1 1 . 6 . 2606 . 1 1 2 PRO HD3 H -14.329 -0.642 -3.325 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HD3 . . . . . . . . . c30642_6pv1 1 . 6 . 2607 . 1 1 2 PRO HG2 H -13.733 -3.224 -2.916 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HG2 . . . . . . . . . c30642_6pv1 1 . 6 . 2608 . 1 1 2 PRO HG3 H -14.217 -2.157 -1.585 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HG3 . . . . . . . . . c30642_6pv1 1 . 6 . 2609 . 1 1 2 PRO N N -12.368 -0.316 -2.610 . . . 1.0 . . . . . . . . . . . . A . 2 PRO N . . . . . . . . . c30642_6pv1 1 . 6 . 2610 . 1 1 2 PRO O O -9.922 -1.651 -3.536 . . . 1.0 . . . . . . . . . . . . A . 2 PRO O . . . . . . . . . c30642_6pv1 1 . 6 . 2611 . 1 1 3 PHE C C -6.956 -2.035 -1.351 . . . 1.0 . . . . . . . . . . . . A . 3 PHE C . . . . . . . . . c30642_6pv1 1 . 6 . 2612 . 1 1 3 PHE CA C -7.687 -0.913 -2.072 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CA . . . . . . . . . c30642_6pv1 1 . 6 . 2613 . 1 1 3 PHE CB C -6.983 0.424 -1.829 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CB . . . . . . . . . c30642_6pv1 1 . 6 . 2614 . 1 1 3 PHE CD1 C -7.321 1.712 -3.951 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD1 . . . . . . . . . c30642_6pv1 1 . 6 . 2615 . 1 1 3 PHE CD2 C -8.430 2.464 -1.980 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD2 . . . . . . . . . c30642_6pv1 1 . 6 . 2616 . 1 1 3 PHE CE1 C -7.884 2.749 -4.669 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE1 . . . . . . . . . c30642_6pv1 1 . 6 . 2617 . 1 1 3 PHE CE2 C -8.995 3.505 -2.691 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE2 . . . . . . . . . c30642_6pv1 1 . 6 . 2618 . 1 1 3 PHE CG C -7.588 1.558 -2.601 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CG . . . . . . . . . c30642_6pv1 1 . 6 . 2619 . 1 1 3 PHE CZ C -8.721 3.647 -4.038 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CZ . . . . . . . . . c30642_6pv1 1 . 6 . 2620 . 1 1 3 PHE H H -9.257 -0.510 -0.714 . . . 1.0 . . . . . . . . . . . . A . 3 PHE H . . . . . . . . . c30642_6pv1 1 . 6 . 2621 . 1 1 3 PHE HA H -7.693 -1.121 -3.132 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HA . . . . . . . . . c30642_6pv1 1 . 6 . 2622 . 1 1 3 PHE HB2 H -7.038 0.669 -0.780 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB2 . . . . . . . . . c30642_6pv1 1 . 6 . 2623 . 1 1 3 PHE HB3 H -5.949 0.337 -2.118 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB3 . . . . . . . . . c30642_6pv1 1 . 6 . 2624 . 1 1 3 PHE HD1 H -6.666 1.009 -4.443 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD1 . . . . . . . . . c30642_6pv1 1 . 6 . 2625 . 1 1 3 PHE HD2 H -8.645 2.353 -0.928 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD2 . . . . . . . . . c30642_6pv1 1 . 6 . 2626 . 1 1 3 PHE HE1 H -7.665 2.858 -5.720 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE1 . . . . . . . . . c30642_6pv1 1 . 6 . 2627 . 1 1 3 PHE HE2 H -9.649 4.205 -2.196 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE2 . . . . . . . . . c30642_6pv1 1 . 6 . 2628 . 1 1 3 PHE HZ H -9.162 4.460 -4.596 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HZ . . . . . . . . . c30642_6pv1 1 . 6 . 2629 . 1 1 3 PHE N N -9.069 -0.844 -1.619 . . . 1.0 . . . . . . . . . . . . A . 3 PHE N . . . . . . . . . c30642_6pv1 1 . 6 . 2630 . 1 1 3 PHE O O -7.245 -2.324 -0.191 . . . 1.0 . . . . . . . . . . . . A . 3 PHE O . . . . . . . . . c30642_6pv1 1 . 6 . 2631 . 1 1 4 NLE C C -3.865 -3.826 -2.003 . . . 1.0 . . . . . . . . . . . . A . 4 NLE C . . . . . . . . . c30642_6pv1 1 . 6 . 2632 . 1 1 4 NLE CA C -5.285 -3.783 -1.460 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CA . . . . . . . . . c30642_6pv1 1 . 6 . 2633 . 1 1 4 NLE CB C -5.997 -5.103 -1.759 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CB . . . . . . . . . c30642_6pv1 1 . 6 . 2634 . 1 1 4 NLE CD C -6.040 -7.604 -1.527 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CD . . . . . . . . . c30642_6pv1 1 . 6 . 2635 . 1 1 4 NLE CE C -5.322 -8.800 -0.938 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CE . . . . . . . . . c30642_6pv1 1 . 6 . 2636 . 1 1 4 NLE CG C -5.314 -6.322 -1.158 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CG . . . . . . . . . c30642_6pv1 1 . 6 . 2637 . 1 1 4 NLE H H -5.820 -2.387 -2.955 . . . 1.0 . . . . . . . . . . . . A . 4 NLE H . . . . . . . . . c30642_6pv1 1 . 6 . 2638 . 1 1 4 NLE HA H -5.247 -3.637 -0.391 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HA . . . . . . . . . c30642_6pv1 1 . 6 . 2639 . 1 1 4 NLE HB2 H -6.042 -5.235 -2.829 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HB2 . . . . . . . . . c30642_6pv1 1 . 6 . 2640 . 1 1 4 NLE HB3 H -7.002 -5.051 -1.370 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HB3 . . . . . . . . . c30642_6pv1 1 . 6 . 2641 . 1 1 4 NLE HD2 H -6.064 -7.707 -2.602 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HD2 . . . . . . . . . c30642_6pv1 1 . 6 . 2642 . 1 1 4 NLE HD3 H -7.045 -7.575 -1.133 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HD3 . . . . . . . . . c30642_6pv1 1 . 6 . 2643 . 1 1 4 NLE HE1 H -4.316 -8.843 -1.328 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HE1 . . . . . . . . . c30642_6pv1 1 . 6 . 2644 . 1 1 4 NLE HE2 H -5.849 -9.703 -1.204 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HE2 . . . . . . . . . c30642_6pv1 1 . 6 . 2645 . 1 1 4 NLE HE3 H -5.288 -8.706 0.138 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HE3 . . . . . . . . . c30642_6pv1 1 . 6 . 2646 . 1 1 4 NLE HG2 H -5.300 -6.223 -0.082 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HG2 . . . . . . . . . c30642_6pv1 1 . 6 . 2647 . 1 1 4 NLE HG3 H -4.301 -6.376 -1.529 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HG3 . . . . . . . . . c30642_6pv1 1 . 6 . 2648 . 1 1 4 NLE N N -6.022 -2.672 -2.037 . . . 1.0 . . . . . . . . . . . . A . 4 NLE N . . . . . . . . . c30642_6pv1 1 . 6 . 2649 . 1 1 4 NLE O O -3.647 -3.750 -3.215 . . . 1.0 . . . . . . . . . . . . A . 4 NLE O . . . . . . . . . c30642_6pv1 1 . 6 . 2650 . 1 1 5 CYS C C -1.170 -5.499 -1.809 . . . 1.0 . . . . . . . . . . . . A . 5 CYS C . . . . . . . . . c30642_6pv1 1 . 6 . 2651 . 1 1 5 CYS CA C -1.508 -4.054 -1.470 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CA . . . . . . . . . c30642_6pv1 1 . 6 . 2652 . 1 1 5 CYS CB C -0.613 -3.566 -0.338 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CB . . . . . . . . . c30642_6pv1 1 . 6 . 2653 . 1 1 5 CYS H H -3.148 -3.936 -0.144 . . . 1.0 . . . . . . . . . . . . A . 5 CYS H . . . . . . . . . c30642_6pv1 1 . 6 . 2654 . 1 1 5 CYS HA H -1.340 -3.442 -2.341 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HA . . . . . . . . . c30642_6pv1 1 . 6 . 2655 . 1 1 5 CYS HB2 H -0.771 -2.508 -0.189 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB2 . . . . . . . . . c30642_6pv1 1 . 6 . 2656 . 1 1 5 CYS HB3 H -0.872 -4.094 0.567 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB3 . . . . . . . . . c30642_6pv1 1 . 6 . 2657 . 1 1 5 CYS N N -2.906 -3.934 -1.098 . . . 1.0 . . . . . . . . . . . . A . 5 CYS N . . . . . . . . . c30642_6pv1 1 . 6 . 2658 . 1 1 5 CYS O O -1.044 -6.346 -0.919 . . . 1.0 . . . . . . . . . . . . A . 5 CYS O . . . . . . . . . c30642_6pv1 1 . 6 . 2659 . 1 1 5 CYS SG S 1.147 -3.821 -0.636 . . . 1.0 . . . . . . . . . . . . A . 5 CYS SG . . . . . . . . . c30642_6pv1 1 . 6 . 2660 . 1 1 6 THR C C 0.769 -7.421 -3.580 . . . 1.0 . . . . . . . . . . . . A . 6 THR C . . . . . . . . . c30642_6pv1 1 . 6 . 2661 . 1 1 6 THR CA C -0.731 -7.122 -3.554 . . . 1.0 . . . . . . . . . . . . A . 6 THR CA . . . . . . . . . c30642_6pv1 1 . 6 . 2662 . 1 1 6 THR CB C -1.332 -7.345 -4.954 . . . 1.0 . . . . . . . . . . . . A . 6 THR CB . . . . . . . . . c30642_6pv1 1 . 6 . 2663 . 1 1 6 THR CG2 C -2.840 -7.534 -4.875 . . . 1.0 . . . . . . . . . . . . A . 6 THR CG2 . . . . . . . . . c30642_6pv1 1 . 6 . 2664 . 1 1 6 THR H H -1.066 -5.048 -3.750 . . . 1.0 . . . . . . . . . . . . A . 6 THR H . . . . . . . . . c30642_6pv1 1 . 6 . 2665 . 1 1 6 THR HA H -1.207 -7.808 -2.870 . . . 1.0 . . . . . . . . . . . . A . 6 THR HA . . . . . . . . . c30642_6pv1 1 . 6 . 2666 . 1 1 6 THR HB H -0.893 -8.234 -5.382 . . . 1.0 . . . . . . . . . . . . A . 6 THR HB . . . . . . . . . c30642_6pv1 1 . 6 . 2667 . 1 1 6 THR HG1 H -0.108 -6.272 -6.071 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG1 . . . . . . . . . c30642_6pv1 1 . 6 . 2668 . 1 1 6 THR HG21 H -3.233 -7.694 -5.867 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG21 . . . . . . . . . c30642_6pv1 1 . 6 . 2669 . 1 1 6 THR HG22 H -3.293 -6.650 -4.447 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG22 . . . . . . . . . c30642_6pv1 1 . 6 . 2670 . 1 1 6 THR HG23 H -3.064 -8.389 -4.256 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG23 . . . . . . . . . c30642_6pv1 1 . 6 . 2671 . 1 1 6 THR N N -1.003 -5.773 -3.091 . . . 1.0 . . . . . . . . . . . . A . 6 THR N . . . . . . . . . c30642_6pv1 1 . 6 . 2672 . 1 1 6 THR O O 1.252 -8.158 -4.441 . . . 1.0 . . . . . . . . . . . . A . 6 THR O . . . . . . . . . c30642_6pv1 1 . 6 . 2673 . 1 1 6 THR OG1 O -1.031 -6.223 -5.796 . . . 1.0 . . . . . . . . . . . . A . 6 THR OG1 . . . . . . . . . c30642_6pv1 1 . 6 . 2674 . 1 1 7 TRP C C 3.105 -8.508 -1.920 . . . 1.0 . . . . . . . . . . . . A . 7 TRP C . . . . . . . . . c30642_6pv1 1 . 6 . 2675 . 1 1 7 TRP CA C 2.922 -7.112 -2.499 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CA . . . . . . . . . c30642_6pv1 1 . 6 . 2676 . 1 1 7 TRP CB C 3.581 -6.072 -1.588 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CB . . . . . . . . . c30642_6pv1 1 . 6 . 2677 . 1 1 7 TRP CD1 C 5.889 -6.882 -0.827 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD1 . . . . . . . . . c30642_6pv1 1 . 6 . 2678 . 1 1 7 TRP CD2 C 5.940 -5.337 -2.442 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD2 . . . . . . . . . c30642_6pv1 1 . 6 . 2679 . 1 1 7 TRP CE2 C 7.262 -5.693 -2.122 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE2 . . . . . . . . . c30642_6pv1 1 . 6 . 2680 . 1 1 7 TRP CE3 C 5.723 -4.379 -3.431 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE3 . . . . . . . . . c30642_6pv1 1 . 6 . 2681 . 1 1 7 TRP CG C 5.078 -6.112 -1.607 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CG . . . . . . . . . c30642_6pv1 1 . 6 . 2682 . 1 1 7 TRP CH2 C 8.118 -4.186 -3.724 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CH2 . . . . . . . . . c30642_6pv1 1 . 6 . 2683 . 1 1 7 TRP CZ2 C 8.361 -5.123 -2.758 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ2 . . . . . . . . . c30642_6pv1 1 . 6 . 2684 . 1 1 7 TRP CZ3 C 6.812 -3.812 -4.062 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ3 . . . . . . . . . c30642_6pv1 1 . 6 . 2685 . 1 1 7 TRP H H 1.078 -6.203 -2.027 . . . 1.0 . . . . . . . . . . . . A . 7 TRP H . . . . . . . . . c30642_6pv1 1 . 6 . 2686 . 1 1 7 TRP HA H 3.377 -7.070 -3.476 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HA . . . . . . . . . c30642_6pv1 1 . 6 . 2687 . 1 1 7 TRP HB2 H 3.273 -5.086 -1.895 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB2 . . . . . . . . . c30642_6pv1 1 . 6 . 2688 . 1 1 7 TRP HB3 H 3.255 -6.241 -0.574 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB3 . . . . . . . . . c30642_6pv1 1 . 6 . 2689 . 1 1 7 TRP HD1 H 5.535 -7.579 -0.083 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HD1 . . . . . . . . . c30642_6pv1 1 . 6 . 2690 . 1 1 7 TRP HE1 H 7.978 -7.068 -0.711 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE1 . . . . . . . . . c30642_6pv1 1 . 6 . 2691 . 1 1 7 TRP HE3 H 4.723 -4.080 -3.703 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE3 . . . . . . . . . c30642_6pv1 1 . 6 . 2692 . 1 1 7 TRP HH2 H 8.938 -3.715 -4.242 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HH2 . . . . . . . . . c30642_6pv1 1 . 6 . 2693 . 1 1 7 TRP HZ2 H 9.375 -5.402 -2.507 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ2 . . . . . . . . . c30642_6pv1 1 . 6 . 2694 . 1 1 7 TRP HZ3 H 6.665 -3.069 -4.829 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ3 . . . . . . . . . c30642_6pv1 1 . 6 . 2695 . 1 1 7 TRP N N 1.503 -6.833 -2.641 . . . 1.0 . . . . . . . . . . . . A . 7 TRP N . . . . . . . . . c30642_6pv1 1 . 6 . 2696 . 1 1 7 TRP NE1 N 7.205 -6.637 -1.133 . . . 1.0 . . . . . . . . . . . . A . 7 TRP NE1 . . . . . . . . . c30642_6pv1 1 . 6 . 2697 . 1 1 7 TRP O O 2.252 -8.979 -1.166 . . . 1.0 . . . . . . . . . . . . A . 7 TRP O . . . . . . . . . c30642_6pv1 1 . 6 . 2698 . 1 1 8 ABA C C 4.356 -10.656 -0.322 . . . 1.0 . . . . . . . . . . . . A . 8 AIB C . . . . . . . . . c30642_6pv1 1 . 6 . 2699 . 1 1 8 ABA CA C 4.512 -10.524 -1.849 . . . 1.0 . . . . . . . . . . . . A . 8 AIB CA . . . . . . . . . c30642_6pv1 1 . 6 . 2700 . 1 1 8 ABA H H 4.848 -8.694 -2.872 . . . 1.0 . . . . . . . . . . . . A . 8 AIB H . . . . . . . . . c30642_6pv1 1 . 6 . 2701 . 1 1 8 ABA N N 4.208 -9.154 -2.285 . . . 1.0 . . . . . . . . . . . . A . 8 AIB N . . . . . . . . . c30642_6pv1 1 . 6 . 2702 . 1 1 8 ABA O O 5.198 -10.171 0.441 . . . 1.0 . . . . . . . . . . . . A . 8 AIB O . . . . . . . . . c30642_6pv1 1 . 6 . 2703 . 1 1 9 GLY C C 2.636 -10.375 2.325 . . . 1.0 . . . . . . . . . . . . A . 9 GLY C . . . . . . . . . c30642_6pv1 1 . 6 . 2704 . 1 1 9 GLY CA C 3.078 -11.580 1.520 . . . 1.0 . . . . . . . . . . . . A . 9 GLY CA . . . . . . . . . c30642_6pv1 1 . 6 . 2705 . 1 1 9 GLY H H 2.591 -11.580 -0.535 . . . 1.0 . . . . . . . . . . . . A . 9 GLY H . . . . . . . . . c30642_6pv1 1 . 6 . 2706 . 1 1 9 GLY HA2 H 2.329 -12.350 1.615 . . . 1.0 . . . . . . . . . . . . A . 9 GLY HA2 . . . . . . . . . c30642_6pv1 1 . 6 . 2707 . 1 1 9 GLY HA3 H 4.007 -11.949 1.928 . . . 1.0 . . . . . . . . . . . . A . 9 GLY HA3 . . . . . . . . . c30642_6pv1 1 . 6 . 2708 . 1 1 9 GLY N N 3.273 -11.296 0.111 . . . 1.0 . . . . . . . . . . . . A . 9 GLY N . . . . . . . . . c30642_6pv1 1 . 6 . 2709 . 1 1 9 GLY O O 2.922 -10.287 3.519 . . . 1.0 . . . . . . . . . . . . A . 9 GLY O . . . . . . . . . c30642_6pv1 1 . 6 . 2710 . 1 1 10 CYS C C -0.064 -8.332 2.526 . . . 1.0 . . . . . . . . . . . . A . 10 CYS C . . . . . . . . . c30642_6pv1 1 . 6 . 2711 . 1 1 10 CYS CA C 1.457 -8.268 2.392 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CA . . . . . . . . . c30642_6pv1 1 . 6 . 2712 . 1 1 10 CYS CB C 1.892 -6.996 1.670 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CB . . . . . . . . . c30642_6pv1 1 . 6 . 2713 . 1 1 10 CYS H H 1.774 -9.531 0.723 . . . 1.0 . . . . . . . . . . . . A . 10 CYS H . . . . . . . . . c30642_6pv1 1 . 6 . 2714 . 1 1 10 CYS HA H 1.892 -8.275 3.378 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HA . . . . . . . . . c30642_6pv1 1 . 6 . 2715 . 1 1 10 CYS HB2 H 2.925 -7.094 1.377 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB2 . . . . . . . . . c30642_6pv1 1 . 6 . 2716 . 1 1 10 CYS HB3 H 1.284 -6.866 0.790 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB3 . . . . . . . . . c30642_6pv1 1 . 6 . 2717 . 1 1 10 CYS N N 1.949 -9.438 1.686 . . . 1.0 . . . . . . . . . . . . A . 10 CYS N . . . . . . . . . c30642_6pv1 1 . 6 . 2718 . 1 1 10 CYS O O -0.576 -8.715 3.581 . . . 1.0 . . . . . . . . . . . . A . 10 CYS O . . . . . . . . . c30642_6pv1 1 . 6 . 2719 . 1 1 10 CYS SG S 1.745 -5.499 2.667 . . . 1.0 . . . . . . . . . . . . A . 10 CYS SG . . . . . . . . . c30642_6pv1 1 . 6 . 2720 . 1 1 11 GLY C C -2.877 -7.105 2.470 . . . 1.0 . . . . . . . . . . . . A . 11 GLY C . . . . . . . . . c30642_6pv1 1 . 6 . 2721 . 1 1 11 GLY CA C -2.232 -8.067 1.490 . . . 1.0 . . . . . . . . . . . . A . 11 GLY CA . . . . . . . . . c30642_6pv1 1 . 6 . 2722 . 1 1 11 GLY H H -0.333 -7.649 0.657 . . . 1.0 . . . . . . . . . . . . A . 11 GLY H . . . . . . . . . c30642_6pv1 1 . 6 . 2723 . 1 1 11 GLY HA2 H -2.608 -7.855 0.500 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA2 . . . . . . . . . c30642_6pv1 1 . 6 . 2724 . 1 1 11 GLY HA3 H -2.511 -9.075 1.758 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA3 . . . . . . . . . c30642_6pv1 1 . 6 . 2725 . 1 1 11 GLY N N -0.784 -7.974 1.467 . . . 1.0 . . . . . . . . . . . . A . 11 GLY N . . . . . . . . . c30642_6pv1 1 . 6 . 2726 . 1 1 11 GLY O O -3.941 -7.391 3.022 . . . 1.0 . . . . . . . . . . . . A . 11 GLY O . . . . . . . . . c30642_6pv1 1 . 6 . 2727 . 1 1 12 LYS C C -3.825 -4.137 2.782 . . . 1.0 . . . . . . . . . . . . A . 12 LYS C . . . . . . . . . c30642_6pv1 1 . 6 . 2728 . 1 1 12 LYS CA C -2.794 -4.944 3.561 . . . 1.0 . . . . . . . . . . . . A . 12 LYS CA . . . . . . . . . c30642_6pv1 1 . 6 . 2729 . 1 1 12 LYS CB C -1.691 -4.039 4.120 . . . 1.0 . . . . . . . . . . . . A . 12 LYS CB . . . . . . . . . c30642_6pv1 1 . 6 . 2730 . 1 1 12 LYS CD C -1.043 -2.340 5.852 . . . 1.0 . . . . . . . . . . . . A . 12 LYS CD . . . . . . . . . c30642_6pv1 1 . 6 . 2731 . 1 1 12 LYS CE C -1.539 -1.242 6.777 . . . 1.0 . . . . . . . . . . . . A . 12 LYS CE . . . . . . . . . c30642_6pv1 1 . 6 . 2732 . 1 1 12 LYS CG C -2.191 -3.055 5.161 . . . 1.0 . . . . . . . . . . . . A . 12 LYS CG . . . . . . . . . c30642_6pv1 1 . 6 . 2733 . 1 1 12 LYS H H -1.358 -5.822 2.282 . . . 1.0 . . . . . . . . . . . . A . 12 LYS H . . . . . . . . . c30642_6pv1 1 . 6 . 2734 . 1 1 12 LYS HA H -3.293 -5.438 4.381 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HA . . . . . . . . . c30642_6pv1 1 . 6 . 2735 . 1 1 12 LYS HB2 H -0.927 -4.654 4.573 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HB2 . . . . . . . . . c30642_6pv1 1 . 6 . 2736 . 1 1 12 LYS HB3 H -1.252 -3.476 3.307 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HB3 . . . . . . . . . c30642_6pv1 1 . 6 . 2737 . 1 1 12 LYS HD2 H -0.484 -3.059 6.431 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HD2 . . . . . . . . . c30642_6pv1 1 . 6 . 2738 . 1 1 12 LYS HD3 H -0.402 -1.905 5.102 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HD3 . . . . . . . . . c30642_6pv1 1 . 6 . 2739 . 1 1 12 LYS HE2 H -0.685 -0.738 7.202 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HE2 . . . . . . . . . c30642_6pv1 1 . 6 . 2740 . 1 1 12 LYS HE3 H -2.119 -0.539 6.199 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HE3 . . . . . . . . . c30642_6pv1 1 . 6 . 2741 . 1 1 12 LYS HG2 H -2.817 -2.323 4.676 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HG2 . . . . . . . . . c30642_6pv1 1 . 6 . 2742 . 1 1 12 LYS HG3 H -2.765 -3.591 5.900 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HG3 . . . . . . . . . c30642_6pv1 1 . 6 . 2743 . 1 1 12 LYS HZ1 H -3.212 -2.261 7.493 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HZ1 . . . . . . . . . c30642_6pv1 1 . 6 . 2744 . 1 1 12 LYS HZ2 H -2.708 -0.994 8.485 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HZ2 . . . . . . . . . c30642_6pv1 1 . 6 . 2745 . 1 1 12 LYS HZ3 H -1.837 -2.440 8.459 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HZ3 . . . . . . . . . c30642_6pv1 1 . 6 . 2746 . 1 1 12 LYS N N -2.230 -5.969 2.699 . . . 1.0 . . . . . . . . . . . . A . 12 LYS N . . . . . . . . . c30642_6pv1 1 . 6 . 2747 . 1 1 12 LYS NZ N -2.382 -1.772 7.880 . . . 1.0 . . . . . . . . . . . . A . 12 LYS NZ . . . . . . . . . c30642_6pv1 1 . 6 . 2748 . 1 1 12 LYS O O -3.558 -3.682 1.668 . . . 1.0 . . . . . . . . . . . . A . 12 LYS O . . . . . . . . . c30642_6pv1 1 . 6 . 2749 . 1 1 13 ARG C C -6.362 -1.935 3.181 . . . 1.0 . . . . . . . . . . . . A . 13 ARG C . . . . . . . . . c30642_6pv1 1 . 6 . 2750 . 1 1 13 ARG CA C -6.122 -3.353 2.677 . . . 1.0 . . . . . . . . . . . . A . 13 ARG CA . . . . . . . . . c30642_6pv1 1 . 6 . 2751 . 1 1 13 ARG CB C -7.380 -4.200 2.857 . . . 1.0 . . . . . . . . . . . . A . 13 ARG CB . . . . . . . . . c30642_6pv1 1 . 6 . 2752 . 1 1 13 ARG CD C -8.340 -6.513 2.732 . . . 1.0 . . . . . . . . . . . . A . 13 ARG CD . . . . . . . . . c30642_6pv1 1 . 6 . 2753 . 1 1 13 ARG CG C -7.293 -5.559 2.185 . . . 1.0 . . . . . . . . . . . . A . 13 ARG CG . . . . . . . . . c30642_6pv1 1 . 6 . 2754 . 1 1 13 ARG CZ C -9.004 -7.292 4.983 . . . 1.0 . . . . . . . . . . . . A . 13 ARG CZ . . . . . . . . . c30642_6pv1 1 . 6 . 2755 . 1 1 13 ARG H H -5.126 -4.300 4.284 . . . 1.0 . . . . . . . . . . . . A . 13 ARG H . . . . . . . . . c30642_6pv1 1 . 6 . 2756 . 1 1 13 ARG HA H -5.879 -3.309 1.625 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HA . . . . . . . . . c30642_6pv1 1 . 6 . 2757 . 1 1 13 ARG HB2 H -7.552 -4.353 3.912 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HB2 . . . . . . . . . c30642_6pv1 1 . 6 . 2758 . 1 1 13 ARG HB3 H -8.221 -3.668 2.437 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HB3 . . . . . . . . . c30642_6pv1 1 . 6 . 2759 . 1 1 13 ARG HD2 H -9.313 -6.050 2.645 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HD2 . . . . . . . . . c30642_6pv1 1 . 6 . 2760 . 1 1 13 ARG HD3 H -8.321 -7.425 2.153 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HD3 . . . . . . . . . c30642_6pv1 1 . 6 . 2761 . 1 1 13 ARG HE H -7.167 -6.694 4.469 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HE . . . . . . . . . c30642_6pv1 1 . 6 . 2762 . 1 1 13 ARG HG2 H -7.450 -5.435 1.124 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HG2 . . . . . . . . . c30642_6pv1 1 . 6 . 2763 . 1 1 13 ARG HG3 H -6.312 -5.974 2.361 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HG3 . . . . . . . . . c30642_6pv1 1 . 6 . 2764 . 1 1 13 ARG HH11 H -10.938 -7.836 5.223 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HH11 . . . . . . . . . c30642_6pv1 1 . 6 . 2765 . 1 1 13 ARG HH12 H -10.513 -7.294 3.633 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HH12 . . . . . . . . . c30642_6pv1 1 . 6 . 2766 . 1 1 13 ARG HH21 H -7.725 -7.397 6.549 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HH21 . . . . . . . . . c30642_6pv1 1 . 6 . 2767 . 1 1 13 ARG HH22 H -9.351 -7.896 6.886 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HH22 . . . . . . . . . c30642_6pv1 1 . 6 . 2768 . 1 1 13 ARG N N -5.003 -3.983 3.363 . . . 1.0 . . . . . . . . . . . . A . 13 ARG N . . . . . . . . . c30642_6pv1 1 . 6 . 2769 . 1 1 13 ARG NE N -8.087 -6.832 4.136 . . . 1.0 . . . . . . . . . . . . A . 13 ARG NE . . . . . . . . . c30642_6pv1 1 . 6 . 2770 . 1 1 13 ARG NH1 N -10.252 -7.491 4.580 . . . 1.0 . . . . . . . . . . . . A . 13 ARG NH1 . . . . . . . . . c30642_6pv1 1 . 6 . 2771 . 1 1 13 ARG NH2 N -8.668 -7.548 6.239 . . . 1.0 . . . . . . . . . . . . A . 13 ARG NH2 . . . . . . . . . c30642_6pv1 1 . 6 . 2772 . 1 1 13 ARG O O -6.196 -1.648 4.368 . . . 1.0 . . . . . . . . . . . . A . 13 ARG O . . . . . . . . . c30642_6pv1 1 . 6 . 2773 . 1 1 14 PHE C C -8.301 0.812 1.969 . . . 1.0 . . . . . . . . . . . . A . 14 PHE C . . . . . . . . . c30642_6pv1 1 . 6 . 2774 . 1 1 14 PHE CA C -6.984 0.346 2.572 . . . 1.0 . . . . . . . . . . . . A . 14 PHE CA . . . . . . . . . c30642_6pv1 1 . 6 . 2775 . 1 1 14 PHE CB C -5.853 1.210 2.005 . . . 1.0 . . . . . . . . . . . . A . 14 PHE CB . . . . . . . . . c30642_6pv1 1 . 6 . 2776 . 1 1 14 PHE CD1 C -3.921 1.394 3.574 . . . 1.0 . . . . . . . . . . . . A . 14 PHE CD1 . . . . . . . . . c30642_6pv1 1 . 6 . 2777 . 1 1 14 PHE CD2 C -3.782 -0.178 1.790 . . . 1.0 . . . . . . . . . . . . A . 14 PHE CD2 . . . . . . . . . c30642_6pv1 1 . 6 . 2778 . 1 1 14 PHE CE1 C -2.669 1.020 4.003 . . . 1.0 . . . . . . . . . . . . A . 14 PHE CE1 . . . . . . . . . c30642_6pv1 1 . 6 . 2779 . 1 1 14 PHE CE2 C -2.529 -0.556 2.214 . . . 1.0 . . . . . . . . . . . . A . 14 PHE CE2 . . . . . . . . . c30642_6pv1 1 . 6 . 2780 . 1 1 14 PHE CG C -4.491 0.801 2.465 . . . 1.0 . . . . . . . . . . . . A . 14 PHE CG . . . . . . . . . c30642_6pv1 1 . 6 . 2781 . 1 1 14 PHE CZ C -1.973 0.043 3.324 . . . 1.0 . . . . . . . . . . . . A . 14 PHE CZ . . . . . . . . . c30642_6pv1 1 . 6 . 2782 . 1 1 14 PHE H H -6.901 -1.372 1.344 . . . 1.0 . . . . . . . . . . . . A . 14 PHE H . . . . . . . . . c30642_6pv1 1 . 6 . 2783 . 1 1 14 PHE HA H -7.019 0.459 3.644 . . . 1.0 . . . . . . . . . . . . A . 14 PHE HA . . . . . . . . . c30642_6pv1 1 . 6 . 2784 . 1 1 14 PHE HB2 H -5.867 1.152 0.928 . . . 1.0 . . . . . . . . . . . . A . 14 PHE HB2 . . . . . . . . . c30642_6pv1 1 . 6 . 2785 . 1 1 14 PHE HB3 H -6.009 2.234 2.304 . . . 1.0 . . . . . . . . . . . . A . 14 PHE HB3 . . . . . . . . . c30642_6pv1 1 . 6 . 2786 . 1 1 14 PHE HD1 H -4.467 2.159 4.106 . . . 1.0 . . . . . . . . . . . . A . 14 PHE HD1 . . . . . . . . . c30642_6pv1 1 . 6 . 2787 . 1 1 14 PHE HD2 H -4.221 -0.648 0.921 . . . 1.0 . . . . . . . . . . . . A . 14 PHE HD2 . . . . . . . . . c30642_6pv1 1 . 6 . 2788 . 1 1 14 PHE HE1 H -2.233 1.490 4.870 . . . 1.0 . . . . . . . . . . . . A . 14 PHE HE1 . . . . . . . . . c30642_6pv1 1 . 6 . 2789 . 1 1 14 PHE HE2 H -1.982 -1.321 1.682 . . . 1.0 . . . . . . . . . . . . A . 14 PHE HE2 . . . . . . . . . c30642_6pv1 1 . 6 . 2790 . 1 1 14 PHE HZ H -0.991 -0.250 3.657 . . . 1.0 . . . . . . . . . . . . A . 14 PHE HZ . . . . . . . . . c30642_6pv1 1 . 6 . 2791 . 1 1 14 PHE N N -6.755 -1.060 2.264 . . . 1.0 . . . . . . . . . . . . A . 14 PHE N . . . . . . . . . c30642_6pv1 1 . 6 . 2792 . 1 1 14 PHE O O -8.836 0.179 1.054 . . . 1.0 . . . . . . . . . . . . A . 14 PHE O . . . . . . . . . c30642_6pv1 1 . 6 . 2793 . 1 1 15 THR C C -9.576 3.837 1.206 . . . 1.0 . . . . . . . . . . . . A . 15 THR C . . . . . . . . . c30642_6pv1 1 . 6 . 2794 . 1 1 15 THR CA C -9.987 2.556 1.919 . . . 1.0 . . . . . . . . . . . . A . 15 THR CA . . . . . . . . . c30642_6pv1 1 . 6 . 2795 . 1 1 15 THR CB C -11.027 2.876 3.006 . . . 1.0 . . . . . . . . . . . . A . 15 THR CB . . . . . . . . . c30642_6pv1 1 . 6 . 2796 . 1 1 15 THR CG2 C -11.961 1.699 3.233 . . . 1.0 . . . . . . . . . . . . A . 15 THR CG2 . . . . . . . . . c30642_6pv1 1 . 6 . 2797 . 1 1 15 THR H H -8.420 2.291 3.301 . . . 1.0 . . . . . . . . . . . . A . 15 THR H . . . . . . . . . c30642_6pv1 1 . 6 . 2798 . 1 1 15 THR HA H -10.432 1.880 1.203 . . . 1.0 . . . . . . . . . . . . A . 15 THR HA . . . . . . . . . c30642_6pv1 1 . 6 . 2799 . 1 1 15 THR HB H -11.611 3.726 2.683 . . . 1.0 . . . . . . . . . . . . A . 15 THR HB . . . . . . . . . c30642_6pv1 1 . 6 . 2800 . 1 1 15 THR HG1 H -10.465 4.151 4.412 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG1 . . . . . . . . . c30642_6pv1 1 . 6 . 2801 . 1 1 15 THR HG21 H -12.513 1.498 2.328 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG21 . . . . . . . . . c30642_6pv1 1 . 6 . 2802 . 1 1 15 THR HG22 H -12.649 1.934 4.031 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG22 . . . . . . . . . c30642_6pv1 1 . 6 . 2803 . 1 1 15 THR HG23 H -11.382 0.829 3.500 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG23 . . . . . . . . . c30642_6pv1 1 . 6 . 2804 . 1 1 15 THR N N -8.823 1.907 2.491 . . . 1.0 . . . . . . . . . . . . A . 15 THR N . . . . . . . . . c30642_6pv1 1 . 6 . 2805 . 1 1 15 THR O O -10.381 4.489 0.542 . . . 1.0 . . . . . . . . . . . . A . 15 THR O . . . . . . . . . c30642_6pv1 1 . 6 . 2806 . 1 1 15 THR OG1 O -10.359 3.209 4.233 . . . 1.0 . . . . . . . . . . . . A . 15 THR OG1 . . . . . . . . . c30642_6pv1 1 . 6 . 2807 . 1 1 16 ARG C C -6.579 5.024 -0.159 . . . 1.0 . . . . . . . . . . . . A . 16 ARG C . . . . . . . . . c30642_6pv1 1 . 6 . 2808 . 1 1 16 ARG CA C -7.757 5.377 0.739 . . . 1.0 . . . . . . . . . . . . A . 16 ARG CA . . . . . . . . . c30642_6pv1 1 . 6 . 2809 . 1 1 16 ARG CB C -7.319 6.367 1.812 . . . 1.0 . . . . . . . . . . . . A . 16 ARG CB . . . . . . . . . c30642_6pv1 1 . 6 . 2810 . 1 1 16 ARG CD C -9.300 7.889 1.611 . . . 1.0 . . . . . . . . . . . . A . 16 ARG CD . . . . . . . . . c30642_6pv1 1 . 6 . 2811 . 1 1 16 ARG CG C -8.479 7.012 2.543 . . . 1.0 . . . . . . . . . . . . A . 16 ARG CG . . . . . . . . . c30642_6pv1 1 . 6 . 2812 . 1 1 16 ARG CZ C -8.959 9.882 0.196 . . . 1.0 . . . . . . . . . . . . A . 16 ARG CZ . . . . . . . . . c30642_6pv1 1 . 6 . 2813 . 1 1 16 ARG H H -7.731 3.636 1.921 . . . 1.0 . . . . . . . . . . . . A . 16 ARG H . . . . . . . . . c30642_6pv1 1 . 6 . 2814 . 1 1 16 ARG HA H -8.532 5.828 0.140 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HA . . . . . . . . . c30642_6pv1 1 . 6 . 2815 . 1 1 16 ARG HB2 H -6.708 5.848 2.537 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HB2 . . . . . . . . . c30642_6pv1 1 . 6 . 2816 . 1 1 16 ARG HB3 H -6.734 7.147 1.353 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HB3 . . . . . . . . . c30642_6pv1 1 . 6 . 2817 . 1 1 16 ARG HD2 H -9.777 7.262 0.873 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HD2 . . . . . . . . . c30642_6pv1 1 . 6 . 2818 . 1 1 16 ARG HD3 H -10.053 8.401 2.189 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HD3 . . . . . . . . . c30642_6pv1 1 . 6 . 2819 . 1 1 16 ARG HE H -7.488 8.798 1.016 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HE . . . . . . . . . c30642_6pv1 1 . 6 . 2820 . 1 1 16 ARG HG2 H -9.114 6.234 2.939 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HG2 . . . . . . . . . c30642_6pv1 1 . 6 . 2821 . 1 1 16 ARG HG3 H -8.095 7.615 3.350 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HG3 . . . . . . . . . c30642_6pv1 1 . 6 . 2822 . 1 1 16 ARG HH11 H -10.901 9.382 0.484 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HH11 . . . . . . . . . c30642_6pv1 1 . 6 . 2823 . 1 1 16 ARG HH12 H -10.635 10.785 -0.499 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HH12 . . . . . . . . . c30642_6pv1 1 . 6 . 2824 . 1 1 16 ARG HH21 H -7.138 10.618 -0.284 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HH21 . . . . . . . . . c30642_6pv1 1 . 6 . 2825 . 1 1 16 ARG HH22 H -8.488 11.490 -0.939 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HH22 . . . . . . . . . c30642_6pv1 1 . 6 . 2826 . 1 1 16 ARG N N -8.309 4.189 1.360 . . . 1.0 . . . . . . . . . . . . A . 16 ARG N . . . . . . . . . c30642_6pv1 1 . 6 . 2827 . 1 1 16 ARG NE N -8.473 8.882 0.925 . . . 1.0 . . . . . . . . . . . . A . 16 ARG NE . . . . . . . . . c30642_6pv1 1 . 6 . 2828 . 1 1 16 ARG NH1 N -10.269 10.026 0.047 . . . 1.0 . . . . . . . . . . . . A . 16 ARG NH1 . . . . . . . . . c30642_6pv1 1 . 6 . 2829 . 1 1 16 ARG NH2 N -8.129 10.731 -0.391 . . . 1.0 . . . . . . . . . . . . A . 16 ARG NH2 . . . . . . . . . c30642_6pv1 1 . 6 . 2830 . 1 1 16 ARG O O -5.644 4.327 0.250 . . . 1.0 . . . . . . . . . . . . A . 16 ARG O . . . . . . . . . c30642_6pv1 1 . 6 . 2831 . 1 1 17 SER C C -4.295 5.937 -1.967 . . . 1.0 . . . . . . . . . . . . A . 17 SER C . . . . . . . . . c30642_6pv1 1 . 6 . 2832 . 1 1 17 SER CA C -5.596 5.263 -2.370 . . . 1.0 . . . . . . . . . . . . A . 17 SER CA . . . . . . . . . c30642_6pv1 1 . 6 . 2833 . 1 1 17 SER CB C -6.052 5.756 -3.740 . . . 1.0 . . . . . . . . . . . . A . 17 SER CB . . . . . . . . . c30642_6pv1 1 . 6 . 2834 . 1 1 17 SER H H -7.400 6.078 -1.645 . . . 1.0 . . . . . . . . . . . . A . 17 SER H . . . . . . . . . c30642_6pv1 1 . 6 . 2835 . 1 1 17 SER HA H -5.438 4.197 -2.415 . . . 1.0 . . . . . . . . . . . . A . 17 SER HA . . . . . . . . . c30642_6pv1 1 . 6 . 2836 . 1 1 17 SER HB2 H -5.203 5.799 -4.408 . . . 1.0 . . . . . . . . . . . . A . 17 SER HB2 . . . . . . . . . c30642_6pv1 1 . 6 . 2837 . 1 1 17 SER HB3 H -6.791 5.077 -4.139 . . . 1.0 . . . . . . . . . . . . A . 17 SER HB3 . . . . . . . . . c30642_6pv1 1 . 6 . 2838 . 1 1 17 SER HG H -6.189 7.640 -4.275 . . . 1.0 . . . . . . . . . . . . A . 17 SER HG . . . . . . . . . c30642_6pv1 1 . 6 . 2839 . 1 1 17 SER N N -6.635 5.518 -1.389 . . . 1.0 . . . . . . . . . . . . A . 17 SER N . . . . . . . . . c30642_6pv1 1 . 6 . 2840 . 1 1 17 SER O O -3.212 5.423 -2.236 . . . 1.0 . . . . . . . . . . . . A . 17 SER O . . . . . . . . . c30642_6pv1 1 . 6 . 2841 . 1 1 17 SER OG O -6.625 7.051 -3.644 . . . 1.0 . . . . . . . . . . . . A . 17 SER OG . . . . . . . . . c30642_6pv1 1 . 6 . 2842 . 1 1 18 ASP C C -2.555 7.012 0.281 . . . 1.0 . . . . . . . . . . . . A . 18 ASP C . . . . . . . . . c30642_6pv1 1 . 6 . 2843 . 1 1 18 ASP CA C -3.243 7.806 -0.822 . . . 1.0 . . . . . . . . . . . . A . 18 ASP CA . . . . . . . . . c30642_6pv1 1 . 6 . 2844 . 1 1 18 ASP CB C -3.628 9.206 -0.321 . . . 1.0 . . . . . . . . . . . . A . 18 ASP CB . . . . . . . . . c30642_6pv1 1 . 6 . 2845 . 1 1 18 ASP CG C -4.567 9.182 0.870 . . . 1.0 . . . . . . . . . . . . A . 18 ASP CG . . . . . . . . . c30642_6pv1 1 . 6 . 2846 . 1 1 18 ASP H H -5.306 7.455 -1.149 . . . 1.0 . . . . . . . . . . . . A . 18 ASP H . . . . . . . . . c30642_6pv1 1 . 6 . 2847 . 1 1 18 ASP HA H -2.555 7.908 -1.649 . . . 1.0 . . . . . . . . . . . . A . 18 ASP HA . . . . . . . . . c30642_6pv1 1 . 6 . 2848 . 1 1 18 ASP HB2 H -2.732 9.731 -0.029 . . . 1.0 . . . . . . . . . . . . A . 18 ASP HB2 . . . . . . . . . c30642_6pv1 1 . 6 . 2849 . 1 1 18 ASP HB3 H -4.108 9.745 -1.122 . . . 1.0 . . . . . . . . . . . . A . 18 ASP HB3 . . . . . . . . . c30642_6pv1 1 . 6 . 2850 . 1 1 18 ASP N N -4.411 7.084 -1.307 . . . 1.0 . . . . . . . . . . . . A . 18 ASP N . . . . . . . . . c30642_6pv1 1 . 6 . 2851 . 1 1 18 ASP O O -1.326 7.002 0.379 . . . 1.0 . . . . . . . . . . . . A . 18 ASP O . . . . . . . . . c30642_6pv1 1 . 6 . 2852 . 1 1 18 ASP OD1 O -5.783 8.974 0.674 . . . 1.0 . . . . . . . . . . . . A . 18 ASP OD1 . . . . . . . . . c30642_6pv1 1 . 6 . 2853 . 1 1 18 ASP OD2 O -4.092 9.381 2.008 . . . 1.0 . . . . . . . . . . . . A . 18 ASP OD2 . . . . . . . . . c30642_6pv1 1 . 6 . 2854 . 1 1 19 GLU C C -2.070 4.296 1.471 . . . 1.0 . . . . . . . . . . . . A . 19 GLU C . . . . . . . . . c30642_6pv1 1 . 6 . 2855 . 1 1 19 GLU CA C -2.829 5.440 2.118 . . . 1.0 . . . . . . . . . . . . A . 19 GLU CA . . . . . . . . . c30642_6pv1 1 . 6 . 2856 . 1 1 19 GLU CB C -3.946 4.880 3.000 . . . 1.0 . . . . . . . . . . . . A . 19 GLU CB . . . . . . . . . c30642_6pv1 1 . 6 . 2857 . 1 1 19 GLU CD C -3.356 6.150 5.101 . . . 1.0 . . . . . . . . . . . . A . 19 GLU CD . . . . . . . . . c30642_6pv1 1 . 6 . 2858 . 1 1 19 GLU CG C -4.427 5.839 4.071 . . . 1.0 . . . . . . . . . . . . A . 19 GLU CG . . . . . . . . . c30642_6pv1 1 . 6 . 2859 . 1 1 19 GLU H H -4.323 6.444 1.010 . . . 1.0 . . . . . . . . . . . . A . 19 GLU H . . . . . . . . . c30642_6pv1 1 . 6 . 2860 . 1 1 19 GLU HA H -2.147 6.006 2.732 . . . 1.0 . . . . . . . . . . . . A . 19 GLU HA . . . . . . . . . c30642_6pv1 1 . 6 . 2861 . 1 1 19 GLU HB2 H -4.788 4.622 2.376 . . . 1.0 . . . . . . . . . . . . A . 19 GLU HB2 . . . . . . . . . c30642_6pv1 1 . 6 . 2862 . 1 1 19 GLU HB3 H -3.587 3.987 3.486 . . . 1.0 . . . . . . . . . . . . A . 19 GLU HB3 . . . . . . . . . c30642_6pv1 1 . 6 . 2863 . 1 1 19 GLU HG2 H -4.732 6.759 3.599 . . . 1.0 . . . . . . . . . . . . A . 19 GLU HG2 . . . . . . . . . c30642_6pv1 1 . 6 . 2864 . 1 1 19 GLU HG3 H -5.271 5.394 4.575 . . . 1.0 . . . . . . . . . . . . A . 19 GLU HG3 . . . . . . . . . c30642_6pv1 1 . 6 . 2865 . 1 1 19 GLU N N -3.357 6.335 1.098 . . . 1.0 . . . . . . . . . . . . A . 19 GLU N . . . . . . . . . c30642_6pv1 1 . 6 . 2866 . 1 1 19 GLU O O -0.958 3.978 1.881 . . . 1.0 . . . . . . . . . . . . A . 19 GLU O . . . . . . . . . c30642_6pv1 1 . 6 . 2867 . 1 1 19 GLU OE1 O -2.668 7.184 4.961 . . . 1.0 . . . . . . . . . . . . A . 19 GLU OE1 . . . . . . . . . c30642_6pv1 1 . 6 . 2868 . 1 1 19 GLU OE2 O -3.194 5.363 6.057 . . . 1.0 . . . . . . . . . . . . A . 19 GLU OE2 . . . . . . . . . c30642_6pv1 1 . 6 . 2869 . 1 1 20 LEU C C -0.733 3.055 -0.914 . . . 1.0 . . . . . . . . . . . . A . 20 LEU C . . . . . . . . . c30642_6pv1 1 . 6 . 2870 . 1 1 20 LEU CA C -2.044 2.600 -0.279 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CA . . . . . . . . . c30642_6pv1 1 . 6 . 2871 . 1 1 20 LEU CB C -2.987 2.066 -1.360 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CB . . . . . . . . . c30642_6pv1 1 . 6 . 2872 . 1 1 20 LEU CD1 C -1.984 -0.229 -1.547 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CD1 . . . . . . . . . c30642_6pv1 1 . 6 . 2873 . 1 1 20 LEU CD2 C -3.329 0.697 -3.442 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CD2 . . . . . . . . . c30642_6pv1 1 . 6 . 2874 . 1 1 20 LEU CG C -2.371 1.030 -2.306 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CG . . . . . . . . . c30642_6pv1 1 . 6 . 2875 . 1 1 20 LEU H H -3.587 3.970 0.208 . . . 1.0 . . . . . . . . . . . . A . 20 LEU H . . . . . . . . . c30642_6pv1 1 . 6 . 2876 . 1 1 20 LEU HA H -1.829 1.808 0.422 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HA . . . . . . . . . c30642_6pv1 1 . 6 . 2877 . 1 1 20 LEU HB2 H -3.841 1.617 -0.873 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HB2 . . . . . . . . . c30642_6pv1 1 . 6 . 2878 . 1 1 20 LEU HB3 H -3.329 2.901 -1.950 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HB3 . . . . . . . . . c30642_6pv1 1 . 6 . 2879 . 1 1 20 LEU HD11 H -1.243 0.016 -0.801 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD11 . . . . . . . . . c30642_6pv1 1 . 6 . 2880 . 1 1 20 LEU HD12 H -1.576 -0.953 -2.235 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD12 . . . . . . . . . c30642_6pv1 1 . 6 . 2881 . 1 1 20 LEU HD13 H -2.857 -0.642 -1.066 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD13 . . . . . . . . . c30642_6pv1 1 . 6 . 2882 . 1 1 20 LEU HD21 H -3.621 1.606 -3.948 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD21 . . . . . . . . . c30642_6pv1 1 . 6 . 2883 . 1 1 20 LEU HD22 H -4.204 0.209 -3.043 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD22 . . . . . . . . . c30642_6pv1 1 . 6 . 2884 . 1 1 20 LEU HD23 H -2.839 0.039 -4.144 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD23 . . . . . . . . . c30642_6pv1 1 . 6 . 2885 . 1 1 20 LEU HG H -1.470 1.445 -2.739 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HG . . . . . . . . . c30642_6pv1 1 . 6 . 2886 . 1 1 20 LEU N N -2.678 3.687 0.458 . . . 1.0 . . . . . . . . . . . . A . 20 LEU N . . . . . . . . . c30642_6pv1 1 . 6 . 2887 . 1 1 20 LEU O O 0.274 2.357 -0.834 . . . 1.0 . . . . . . . . . . . . A . 20 LEU O . . . . . . . . . c30642_6pv1 1 . 6 . 2888 . 1 1 21 GLN C C 1.557 5.010 -1.183 . . . 1.0 . . . . . . . . . . . . A . 21 GLN C . . . . . . . . . c30642_6pv1 1 . 6 . 2889 . 1 1 21 GLN CA C 0.443 4.760 -2.194 . . . 1.0 . . . . . . . . . . . . A . 21 GLN CA . . . . . . . . . c30642_6pv1 1 . 6 . 2890 . 1 1 21 GLN CB C 0.113 6.051 -2.942 . . . 1.0 . . . . . . . . . . . . A . 21 GLN CB . . . . . . . . . c30642_6pv1 1 . 6 . 2891 . 1 1 21 GLN CD C -1.109 7.132 -4.864 . . . 1.0 . . . . . . . . . . . . A . 21 GLN CD . . . . . . . . . c30642_6pv1 1 . 6 . 2892 . 1 1 21 GLN CG C -0.744 5.835 -4.177 . . . 1.0 . . . . . . . . . . . . A . 21 GLN CG . . . . . . . . . c30642_6pv1 1 . 6 . 2893 . 1 1 21 GLN H H -1.589 4.738 -1.574 . . . 1.0 . . . . . . . . . . . . A . 21 GLN H . . . . . . . . . c30642_6pv1 1 . 6 . 2894 . 1 1 21 GLN HA H 0.785 4.024 -2.903 . . . 1.0 . . . . . . . . . . . . A . 21 GLN HA . . . . . . . . . c30642_6pv1 1 . 6 . 2895 . 1 1 21 GLN HB2 H -0.418 6.714 -2.274 . . . 1.0 . . . . . . . . . . . . A . 21 GLN HB2 . . . . . . . . . c30642_6pv1 1 . 6 . 2896 . 1 1 21 GLN HB3 H 1.034 6.524 -3.246 . . . 1.0 . . . . . . . . . . . . A . 21 GLN HB3 . . . . . . . . . c30642_6pv1 1 . 6 . 2897 . 1 1 21 GLN HE21 H -2.787 6.323 -5.542 . . . 1.0 . . . . . . . . . . . . A . 21 GLN HE21 . . . . . . . . . c30642_6pv1 1 . 6 . 2898 . 1 1 21 GLN HE22 H -2.507 7.968 -5.994 . . . 1.0 . . . . . . . . . . . . A . 21 GLN HE22 . . . . . . . . . c30642_6pv1 1 . 6 . 2899 . 1 1 21 GLN HG2 H -0.200 5.217 -4.875 . . . 1.0 . . . . . . . . . . . . A . 21 GLN HG2 . . . . . . . . . c30642_6pv1 1 . 6 . 2900 . 1 1 21 GLN HG3 H -1.654 5.331 -3.885 . . . 1.0 . . . . . . . . . . . . A . 21 GLN HG3 . . . . . . . . . c30642_6pv1 1 . 6 . 2901 . 1 1 21 GLN N N -0.750 4.224 -1.542 . . . 1.0 . . . . . . . . . . . . A . 21 GLN N . . . . . . . . . c30642_6pv1 1 . 6 . 2902 . 1 1 21 GLN NE2 N -2.248 7.144 -5.531 . . . 1.0 . . . . . . . . . . . . A . 21 GLN NE2 . . . . . . . . . c30642_6pv1 1 . 6 . 2903 . 1 1 21 GLN O O 2.694 4.554 -1.366 . . . 1.0 . . . . . . . . . . . . A . 21 GLN O . . . . . . . . . c30642_6pv1 1 . 6 . 2904 . 1 1 21 GLN OE1 O -0.372 8.115 -4.798 . . . 1.0 . . . . . . . . . . . . A . 21 GLN OE1 . . . . . . . . . c30642_6pv1 1 . 6 . 2905 . 1 1 22 ARG C C 2.708 4.671 1.519 . . . 1.0 . . . . . . . . . . . . A . 22 ARG C . . . . . . . . . c30642_6pv1 1 . 6 . 2906 . 1 1 22 ARG CA C 2.191 5.983 0.948 . . . 1.0 . . . . . . . . . . . . A . 22 ARG CA . . . . . . . . . c30642_6pv1 1 . 6 . 2907 . 1 1 22 ARG CB C 1.565 6.836 2.052 . . . 1.0 . . . . . . . . . . . . A . 22 ARG CB . . . . . . . . . c30642_6pv1 1 . 6 . 2908 . 1 1 22 ARG CD C 1.887 8.048 4.233 . . . 1.0 . . . . . . . . . . . . A . 22 ARG CD . . . . . . . . . c30642_6pv1 1 . 6 . 2909 . 1 1 22 ARG CG C 2.522 7.141 3.193 . . . 1.0 . . . . . . . . . . . . A . 22 ARG CG . . . . . . . . . c30642_6pv1 1 . 6 . 2910 . 1 1 22 ARG CZ C 0.591 7.425 6.236 . . . 1.0 . . . . . . . . . . . . A . 22 ARG CZ . . . . . . . . . c30642_6pv1 1 . 6 . 2911 . 1 1 22 ARG H H 0.311 6.065 -0.023 . . . 1.0 . . . . . . . . . . . . A . 22 ARG H . . . . . . . . . c30642_6pv1 1 . 6 . 2912 . 1 1 22 ARG HA H 3.015 6.521 0.511 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HA . . . . . . . . . c30642_6pv1 1 . 6 . 2913 . 1 1 22 ARG HB2 H 1.238 7.771 1.624 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HB2 . . . . . . . . . c30642_6pv1 1 . 6 . 2914 . 1 1 22 ARG HB3 H 0.709 6.315 2.455 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HB3 . . . . . . . . . c30642_6pv1 1 . 6 . 2915 . 1 1 22 ARG HD2 H 2.634 8.312 4.964 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HD2 . . . . . . . . . c30642_6pv1 1 . 6 . 2916 . 1 1 22 ARG HD3 H 1.538 8.944 3.741 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HD3 . . . . . . . . . c30642_6pv1 1 . 6 . 2917 . 1 1 22 ARG HE H 0.077 6.979 4.354 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HE . . . . . . . . . c30642_6pv1 1 . 6 . 2918 . 1 1 22 ARG HG2 H 2.806 6.214 3.669 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HG2 . . . . . . . . . c30642_6pv1 1 . 6 . 2919 . 1 1 22 ARG HG3 H 3.401 7.625 2.794 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HG3 . . . . . . . . . c30642_6pv1 1 . 6 . 2920 . 1 1 22 ARG HH11 H 1.388 7.966 8.021 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HH11 . . . . . . . . . c30642_6pv1 1 . 6 . 2921 . 1 1 22 ARG HH12 H 2.348 8.359 6.634 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HH12 . . . . . . . . . c30642_6pv1 1 . 6 . 2922 . 1 1 22 ARG HH21 H -0.628 6.888 7.765 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HH21 . . . . . . . . . c30642_6pv1 1 . 6 . 2923 . 1 1 22 ARG HH22 H -1.205 6.482 6.176 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HH22 . . . . . . . . . c30642_6pv1 1 . 6 . 2924 . 1 1 22 ARG N N 1.226 5.717 -0.108 . . . 1.0 . . . . . . . . . . . . A . 22 ARG N . . . . . . . . . c30642_6pv1 1 . 6 . 2925 . 1 1 22 ARG NE N 0.758 7.416 4.914 . . . 1.0 . . . . . . . . . . . . A . 22 ARG NE . . . . . . . . . c30642_6pv1 1 . 6 . 2926 . 1 1 22 ARG NH1 N 1.516 7.961 7.026 . . . 1.0 . . . . . . . . . . . . A . 22 ARG NH1 . . . . . . . . . c30642_6pv1 1 . 6 . 2927 . 1 1 22 ARG NH2 N -0.497 6.885 6.769 . . . 1.0 . . . . . . . . . . . . A . 22 ARG NH2 . . . . . . . . . c30642_6pv1 1 . 6 . 2928 . 1 1 22 ARG O O 3.905 4.509 1.753 . . . 1.0 . . . . . . . . . . . . A . 22 ARG O . . . . . . . . . c30642_6pv1 1 . 6 . 2929 . 1 1 23 HIS C C 3.139 1.727 1.265 . . . 1.0 . . . . . . . . . . . . A . 23 HIS C . . . . . . . . . c30642_6pv1 1 . 6 . 2930 . 1 1 23 HIS CA C 2.137 2.410 2.197 . . . 1.0 . . . . . . . . . . . . A . 23 HIS CA . . . . . . . . . c30642_6pv1 1 . 6 . 2931 . 1 1 23 HIS CB C 0.870 1.558 2.342 . . . 1.0 . . . . . . . . . . . . A . 23 HIS CB . . . . . . . . . c30642_6pv1 1 . 6 . 2932 . 1 1 23 HIS CD2 C 1.433 -0.834 1.617 . . . 1.0 . . . . . . . . . . . . A . 23 HIS CD2 . . . . . . . . . c30642_6pv1 1 . 6 . 2933 . 1 1 23 HIS CE1 C 1.598 -1.801 3.557 . . . 1.0 . . . . . . . . . . . . A . 23 HIS CE1 . . . . . . . . . c30642_6pv1 1 . 6 . 2934 . 1 1 23 HIS CG C 1.151 0.107 2.542 . . . 1.0 . . . . . . . . . . . . A . 23 HIS CG . . . . . . . . . c30642_6pv1 1 . 6 . 2935 . 1 1 23 HIS H H 0.857 3.928 1.494 . . . 1.0 . . . . . . . . . . . . A . 23 HIS H . . . . . . . . . c30642_6pv1 1 . 6 . 2936 . 1 1 23 HIS HA H 2.593 2.528 3.168 . . . 1.0 . . . . . . . . . . . . A . 23 HIS HA . . . . . . . . . c30642_6pv1 1 . 6 . 2937 . 1 1 23 HIS HB2 H 0.300 1.907 3.188 . . . 1.0 . . . . . . . . . . . . A . 23 HIS HB2 . . . . . . . . . c30642_6pv1 1 . 6 . 2938 . 1 1 23 HIS HB3 H 0.276 1.660 1.446 . . . 1.0 . . . . . . . . . . . . A . 23 HIS HB3 . . . . . . . . . c30642_6pv1 1 . 6 . 2939 . 1 1 23 HIS HD1 H 1.081 -0.104 4.659 . . . 1.0 . . . . . . . . . . . . A . 23 HIS HD1 . . . . . . . . . c30642_6pv1 1 . 6 . 2940 . 1 1 23 HIS HD2 H 1.413 -0.705 0.547 . . . 1.0 . . . . . . . . . . . . A . 23 HIS HD2 . . . . . . . . . c30642_6pv1 1 . 6 . 2941 . 1 1 23 HIS HE1 H 1.747 -2.548 4.319 . . . 1.0 . . . . . . . . . . . . A . 23 HIS HE1 . . . . . . . . . c30642_6pv1 1 . 6 . 2942 . 1 1 23 HIS N N 1.796 3.730 1.703 . . . 1.0 . . . . . . . . . . . . A . 23 HIS N . . . . . . . . . c30642_6pv1 1 . 6 . 2943 . 1 1 23 HIS ND1 N 1.245 -0.521 3.780 . . . 1.0 . . . . . . . . . . . . A . 23 HIS ND1 . . . . . . . . . c30642_6pv1 1 . 6 . 2944 . 1 1 23 HIS NE2 N 1.718 -2.000 2.271 . . . 1.0 . . . . . . . . . . . . A . 23 HIS NE2 . . . . . . . . . c30642_6pv1 1 . 6 . 2945 . 1 1 23 HIS O O 4.128 1.162 1.719 . . . 1.0 . . . . . . . . . . . . A . 23 HIS O . . . . . . . . . c30642_6pv1 1 . 6 . 2946 . 1 1 24 LYS C C 5.171 1.743 -0.919 . . . 1.0 . . . . . . . . . . . . A . 24 LYS C . . . . . . . . . c30642_6pv1 1 . 6 . 2947 . 1 1 24 LYS CA C 3.758 1.184 -1.032 . . . 1.0 . . . . . . . . . . . . A . 24 LYS CA . . . . . . . . . c30642_6pv1 1 . 6 . 2948 . 1 1 24 LYS CB C 3.223 1.420 -2.445 . . . 1.0 . . . . . . . . . . . . A . 24 LYS CB . . . . . . . . . c30642_6pv1 1 . 6 . 2949 . 1 1 24 LYS CD C 1.431 0.999 -4.145 . . . 1.0 . . . . . . . . . . . . A . 24 LYS CD . . . . . . . . . c30642_6pv1 1 . 6 . 2950 . 1 1 24 LYS CE C 0.402 0.005 -4.658 . . . 1.0 . . . . . . . . . . . . A . 24 LYS CE . . . . . . . . . c30642_6pv1 1 . 6 . 2951 . 1 1 24 LYS CG C 2.015 0.571 -2.808 . . . 1.0 . . . . . . . . . . . . A . 24 LYS CG . . . . . . . . . c30642_6pv1 1 . 6 . 2952 . 1 1 24 LYS H H 2.055 2.245 -0.335 . . . 1.0 . . . . . . . . . . . . A . 24 LYS H . . . . . . . . . c30642_6pv1 1 . 6 . 2953 . 1 1 24 LYS HA H 3.792 0.123 -0.841 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HA . . . . . . . . . c30642_6pv1 1 . 6 . 2954 . 1 1 24 LYS HB2 H 2.946 2.458 -2.540 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HB2 . . . . . . . . . c30642_6pv1 1 . 6 . 2955 . 1 1 24 LYS HB3 H 4.011 1.203 -3.150 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HB3 . . . . . . . . . c30642_6pv1 1 . 6 . 2956 . 1 1 24 LYS HD2 H 0.957 1.960 -4.027 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HD2 . . . . . . . . . c30642_6pv1 1 . 6 . 2957 . 1 1 24 LYS HD3 H 2.232 1.078 -4.865 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HD3 . . . . . . . . . c30642_6pv1 1 . 6 . 2958 . 1 1 24 LYS HE2 H -0.291 -0.219 -3.862 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HE2 . . . . . . . . . c30642_6pv1 1 . 6 . 2959 . 1 1 24 LYS HE3 H -0.132 0.455 -5.481 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HE3 . . . . . . . . . c30642_6pv1 1 . 6 . 2960 . 1 1 24 LYS HG2 H 2.315 -0.464 -2.870 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HG2 . . . . . . . . . c30642_6pv1 1 . 6 . 2961 . 1 1 24 LYS HG3 H 1.262 0.687 -2.044 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HG3 . . . . . . . . . c30642_6pv1 1 . 6 . 2962 . 1 1 24 LYS HZ1 H 0.295 -1.956 -5.362 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HZ1 . . . . . . . . . c30642_6pv1 1 . 6 . 2963 . 1 1 24 LYS HZ2 H 1.641 -1.655 -4.383 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HZ2 . . . . . . . . . c30642_6pv1 1 . 6 . 2964 . 1 1 24 LYS HZ3 H 1.606 -1.078 -5.970 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HZ3 . . . . . . . . . c30642_6pv1 1 . 6 . 2965 . 1 1 24 LYS N N 2.874 1.787 -0.035 . . . 1.0 . . . . . . . . . . . . A . 24 LYS N . . . . . . . . . c30642_6pv1 1 . 6 . 2966 . 1 1 24 LYS NZ N 1.029 -1.259 -5.123 . . . 1.0 . . . . . . . . . . . . A . 24 LYS NZ . . . . . . . . . c30642_6pv1 1 . 6 . 2967 . 1 1 24 LYS O O 6.153 1.059 -1.234 . . . 1.0 . . . . . . . . . . . . A . 24 LYS O . . . . . . . . . c30642_6pv1 1 . 6 . 2968 . 1 1 25 ARG C C 7.410 2.913 0.785 . . . 1.0 . . . . . . . . . . . . A . 25 ARG C . . . . . . . . . c30642_6pv1 1 . 6 . 2969 . 1 1 25 ARG CA C 6.570 3.622 -0.278 . . . 1.0 . . . . . . . . . . . . A . 25 ARG CA . . . . . . . . . c30642_6pv1 1 . 6 . 2970 . 1 1 25 ARG CB C 6.398 5.098 0.083 . . . 1.0 . . . . . . . . . . . . A . 25 ARG CB . . . . . . . . . c30642_6pv1 1 . 6 . 2971 . 1 1 25 ARG CD C 5.459 7.342 -0.552 . . . 1.0 . . . . . . . . . . . . A . 25 ARG CD . . . . . . . . . c30642_6pv1 1 . 6 . 2972 . 1 1 25 ARG CG C 5.619 5.887 -0.955 . . . 1.0 . . . . . . . . . . . . A . 25 ARG CG . . . . . . . . . c30642_6pv1 1 . 6 . 2973 . 1 1 25 ARG CZ C 3.851 9.135 -1.120 . . . 1.0 . . . . . . . . . . . . A . 25 ARG CZ . . . . . . . . . c30642_6pv1 1 . 6 . 2974 . 1 1 25 ARG H H 4.453 3.475 -0.198 . . . 1.0 . . . . . . . . . . . . A . 25 ARG H . . . . . . . . . c30642_6pv1 1 . 6 . 2975 . 1 1 25 ARG HA H 7.085 3.554 -1.223 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HA . . . . . . . . . c30642_6pv1 1 . 6 . 2976 . 1 1 25 ARG HB2 H 5.874 5.165 1.025 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HB2 . . . . . . . . . c30642_6pv1 1 . 6 . 2977 . 1 1 25 ARG HB3 H 7.373 5.547 0.189 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HB3 . . . . . . . . . c30642_6pv1 1 . 6 . 2978 . 1 1 25 ARG HD2 H 5.066 7.388 0.451 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HD2 . . . . . . . . . c30642_6pv1 1 . 6 . 2979 . 1 1 25 ARG HD3 H 6.427 7.820 -0.580 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HD3 . . . . . . . . . c30642_6pv1 1 . 6 . 2980 . 1 1 25 ARG HE H 4.456 7.689 -2.364 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HE . . . . . . . . . c30642_6pv1 1 . 6 . 2981 . 1 1 25 ARG HG2 H 6.145 5.839 -1.895 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HG2 . . . . . . . . . c30642_6pv1 1 . 6 . 2982 . 1 1 25 ARG HG3 H 4.640 5.445 -1.067 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HG3 . . . . . . . . . c30642_6pv1 1 . 6 . 2983 . 1 1 25 ARG HH11 H 3.437 10.483 0.334 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HH11 . . . . . . . . . c30642_6pv1 1 . 6 . 2984 . 1 1 25 ARG HH12 H 4.602 9.268 0.757 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HH12 . . . . . . . . . c30642_6pv1 1 . 6 . 2985 . 1 1 25 ARG HH21 H 2.946 9.298 -2.927 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HH21 . . . . . . . . . c30642_6pv1 1 . 6 . 2986 . 1 1 25 ARG HH22 H 2.503 10.503 -1.756 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HH22 . . . . . . . . . c30642_6pv1 1 . 6 . 2987 . 1 1 25 ARG N N 5.274 2.979 -0.443 . . . 1.0 . . . . . . . . . . . . A . 25 ARG N . . . . . . . . . c30642_6pv1 1 . 6 . 2988 . 1 1 25 ARG NE N 4.554 8.052 -1.454 . . . 1.0 . . . . . . . . . . . . A . 25 ARG NE . . . . . . . . . c30642_6pv1 1 . 6 . 2989 . 1 1 25 ARG NH1 N 3.971 9.667 0.088 . . . 1.0 . . . . . . . . . . . . A . 25 ARG NH1 . . . . . . . . . c30642_6pv1 1 . 6 . 2990 . 1 1 25 ARG NH2 N 3.037 9.691 -2.005 . . . 1.0 . . . . . . . . . . . . A . 25 ARG NH2 . . . . . . . . . c30642_6pv1 1 . 6 . 2991 . 1 1 25 ARG O O 8.620 3.113 0.853 . . . 1.0 . . . . . . . . . . . . A . 25 ARG O . . . . . . . . . c30642_6pv1 1 . 6 . 2992 . 1 1 26 THR C C 8.076 0.037 2.065 . . . 1.0 . . . . . . . . . . . . A . 26 THR C . . . . . . . . . c30642_6pv1 1 . 6 . 2993 . 1 1 26 THR CA C 7.500 1.333 2.632 . . . 1.0 . . . . . . . . . . . . A . 26 THR CA . . . . . . . . . c30642_6pv1 1 . 6 . 2994 . 1 1 26 THR CB C 6.624 1.004 3.864 . . . 1.0 . . . . . . . . . . . . A . 26 THR CB . . . . . . . . . c30642_6pv1 1 . 6 . 2995 . 1 1 26 THR CG2 C 6.005 2.267 4.441 . . . 1.0 . . . . . . . . . . . . A . 26 THR CG2 . . . . . . . . . c30642_6pv1 1 . 6 . 2996 . 1 1 26 THR H H 5.802 1.964 1.523 . . . 1.0 . . . . . . . . . . . . A . 26 THR H . . . . . . . . . c30642_6pv1 1 . 6 . 2997 . 1 1 26 THR HA H 8.320 1.954 2.961 . . . 1.0 . . . . . . . . . . . . A . 26 THR HA . . . . . . . . . c30642_6pv1 1 . 6 . 2998 . 1 1 26 THR HB H 7.253 0.557 4.618 . . . 1.0 . . . . . . . . . . . . A . 26 THR HB . . . . . . . . . c30642_6pv1 1 . 6 . 2999 . 1 1 26 THR HG1 H 5.006 0.475 2.852 . . . 1.0 . . . . . . . . . . . . A . 26 THR HG1 . . . . . . . . . c30642_6pv1 1 . 6 . 3000 . 1 1 26 THR HG21 H 5.353 2.717 3.706 . . . 1.0 . . . . . . . . . . . . A . 26 THR HG21 . . . . . . . . . c30642_6pv1 1 . 6 . 3001 . 1 1 26 THR HG22 H 6.787 2.964 4.701 . . . 1.0 . . . . . . . . . . . . A . 26 THR HG22 . . . . . . . . . c30642_6pv1 1 . 6 . 3002 . 1 1 26 THR HG23 H 5.435 2.018 5.324 . . . 1.0 . . . . . . . . . . . . A . 26 THR HG23 . . . . . . . . . c30642_6pv1 1 . 6 . 3003 . 1 1 26 THR N N 6.775 2.077 1.606 . . . 1.0 . . . . . . . . . . . . A . 26 THR N . . . . . . . . . c30642_6pv1 1 . 6 . 3004 . 1 1 26 THR O O 8.859 -0.646 2.724 . . . 1.0 . . . . . . . . . . . . A . 26 THR O . . . . . . . . . c30642_6pv1 1 . 6 . 3005 . 1 1 26 THR OG1 O 5.588 0.074 3.516 . . . 1.0 . . . . . . . . . . . . A . 26 THR OG1 . . . . . . . . . c30642_6pv1 1 . 6 . 3006 . 1 1 27 HIS C C 9.322 -0.956 -0.816 . . . 1.0 . . . . . . . . . . . . A . 27 HIS C . . . . . . . . . c30642_6pv1 1 . 6 . 3007 . 1 1 27 HIS CA C 8.252 -1.447 0.145 . . . 1.0 . . . . . . . . . . . . A . 27 HIS CA . . . . . . . . . c30642_6pv1 1 . 6 . 3008 . 1 1 27 HIS CB C 7.205 -2.226 -0.656 . . . 1.0 . . . . . . . . . . . . A . 27 HIS CB . . . . . . . . . c30642_6pv1 1 . 6 . 3009 . 1 1 27 HIS CD2 C 4.801 -2.670 0.149 . . . 1.0 . . . . . . . . . . . . A . 27 HIS CD2 . . . . . . . . . c30642_6pv1 1 . 6 . 3010 . 1 1 27 HIS CE1 C 5.149 -4.327 1.518 . . . 1.0 . . . . . . . . . . . . A . 27 HIS CE1 . . . . . . . . . c30642_6pv1 1 . 6 . 3011 . 1 1 27 HIS CG C 6.135 -2.893 0.150 . . . 1.0 . . . . . . . . . . . . A . 27 HIS CG . . . . . . . . . c30642_6pv1 1 . 6 . 3012 . 1 1 27 HIS H H 6.957 0.210 0.411 . . . 1.0 . . . . . . . . . . . . A . 27 HIS H . . . . . . . . . c30642_6pv1 1 . 6 . 3013 . 1 1 27 HIS HA H 8.705 -2.100 0.876 . . . 1.0 . . . . . . . . . . . . A . 27 HIS HA . . . . . . . . . c30642_6pv1 1 . 6 . 3014 . 1 1 27 HIS HB2 H 6.715 -1.547 -1.337 . . . 1.0 . . . . . . . . . . . . A . 27 HIS HB2 . . . . . . . . . c30642_6pv1 1 . 6 . 3015 . 1 1 27 HIS HB3 H 7.707 -2.994 -1.230 . . . 1.0 . . . . . . . . . . . . A . 27 HIS HB3 . . . . . . . . . c30642_6pv1 1 . 6 . 3016 . 1 1 27 HIS HD1 H 7.217 -4.355 1.254 . . . 1.0 . . . . . . . . . . . . A . 27 HIS HD1 . . . . . . . . . c30642_6pv1 1 . 6 . 3017 . 1 1 27 HIS HD2 H 4.278 -1.925 -0.432 . . . 1.0 . . . . . . . . . . . . A . 27 HIS HD2 . . . . . . . . . c30642_6pv1 1 . 6 . 3018 . 1 1 27 HIS HE1 H 4.983 -5.136 2.213 . . . 1.0 . . . . . . . . . . . . A . 27 HIS HE1 . . . . . . . . . c30642_6pv1 1 . 6 . 3019 . 1 1 27 HIS N N 7.667 -0.310 0.848 . . . 1.0 . . . . . . . . . . . . A . 27 HIS N . . . . . . . . . c30642_6pv1 1 . 6 . 3020 . 1 1 27 HIS ND1 N 6.348 -3.950 1.032 . . . 1.0 . . . . . . . . . . . . A . 27 HIS ND1 . . . . . . . . . c30642_6pv1 1 . 6 . 3021 . 1 1 27 HIS NE2 N 4.214 -3.574 1.003 . . . 1.0 . . . . . . . . . . . . A . 27 HIS NE2 . . . . . . . . . c30642_6pv1 1 . 6 . 3022 . 1 1 27 HIS O O 10.427 -1.495 -0.873 . . . 1.0 . . . . . . . . . . . . A . 27 HIS O . . . . . . . . . c30642_6pv1 1 . 6 . 3023 . 1 1 28 THR C C 11.001 1.427 -1.972 . . . 1.0 . . . . . . . . . . . . A . 28 THR C . . . . . . . . . c30642_6pv1 1 . 6 . 3024 . 1 1 28 THR CA C 9.868 0.608 -2.587 . . . 1.0 . . . . . . . . . . . . A . 28 THR CA . . . . . . . . . c30642_6pv1 1 . 6 . 3025 . 1 1 28 THR CB C 9.081 1.472 -3.587 . . . 1.0 . . . . . . . . . . . . A . 28 THR CB . . . . . . . . . c30642_6pv1 1 . 6 . 3026 . 1 1 28 THR CG2 C 8.233 0.603 -4.507 . . . 1.0 . . . . . . . . . . . . A . 28 THR CG2 . . . . . . . . . c30642_6pv1 1 . 6 . 3027 . 1 1 28 THR H H 8.094 0.484 -1.457 . . . 1.0 . . . . . . . . . . . . A . 28 THR H . . . . . . . . . c30642_6pv1 1 . 6 . 3028 . 1 1 28 THR HA H 10.295 -0.225 -3.126 . . . 1.0 . . . . . . . . . . . . A . 28 THR HA . . . . . . . . . c30642_6pv1 1 . 6 . 3029 . 1 1 28 THR HB H 9.782 2.033 -4.187 . . . 1.0 . . . . . . . . . . . . A . 28 THR HB . . . . . . . . . c30642_6pv1 1 . 6 . 3030 . 1 1 28 THR HG1 H 7.312 2.219 -3.106 . . . 1.0 . . . . . . . . . . . . A . 28 THR HG1 . . . . . . . . . c30642_6pv1 1 . 6 . 3031 . 1 1 28 THR HG21 H 7.689 1.233 -5.194 . . . 1.0 . . . . . . . . . . . . A . 28 THR HG21 . . . . . . . . . c30642_6pv1 1 . 6 . 3032 . 1 1 28 THR HG22 H 7.534 0.029 -3.917 . . . 1.0 . . . . . . . . . . . . A . 28 THR HG22 . . . . . . . . . c30642_6pv1 1 . 6 . 3033 . 1 1 28 THR HG23 H 8.872 -0.068 -5.062 . . . 1.0 . . . . . . . . . . . . A . 28 THR HG23 . . . . . . . . . c30642_6pv1 1 . 6 . 3034 . 1 1 28 THR N N 8.979 0.073 -1.574 . . . 1.0 . . . . . . . . . . . . A . 28 THR N . . . . . . . . . c30642_6pv1 1 . 6 . 3035 . 1 1 28 THR O O 12.132 1.394 -2.453 . . . 1.0 . . . . . . . . . . . . A . 28 THR O . . . . . . . . . c30642_6pv1 1 . 6 . 3036 . 1 1 28 THR OG1 O 8.237 2.387 -2.874 . . . 1.0 . . . . . . . . . . . . A . 28 THR OG1 . . . . . . . . . c30642_6pv1 1 . 6 . 3037 . 1 1 29 GLY C C 11.851 2.703 1.202 . . . 1.0 . . . . . . . . . . . . A . 29 GLY C . . . . . . . . . c30642_6pv1 1 . 6 . 3038 . 1 1 29 GLY CA C 11.694 2.995 -0.276 . . . 1.0 . . . . . . . . . . . . A . 29 GLY CA . . . . . . . . . c30642_6pv1 1 . 6 . 3039 . 1 1 29 GLY H H 9.788 2.115 -0.533 . . . 1.0 . . . . . . . . . . . . A . 29 GLY H . . . . . . . . . c30642_6pv1 1 . 6 . 3040 . 1 1 29 GLY HA2 H 12.642 2.839 -0.768 . . . 1.0 . . . . . . . . . . . . A . 29 GLY HA2 . . . . . . . . . c30642_6pv1 1 . 6 . 3041 . 1 1 29 GLY HA3 H 11.403 4.028 -0.398 . . . 1.0 . . . . . . . . . . . . A . 29 GLY HA3 . . . . . . . . . c30642_6pv1 1 . 6 . 3042 . 1 1 29 GLY N N 10.697 2.152 -0.903 . . . 1.0 . . . . . . . . . . . . A . 29 GLY N . . . . . . . . . c30642_6pv1 1 . 6 . 3043 . 1 1 29 GLY O O 11.393 3.474 2.048 . . . 1.0 . . . . . . . . . . . . A . 29 GLY O . . . . . . . . . c30642_6pv1 1 . 6 . 3044 . 1 1 30 GLU C C 13.943 2.001 3.429 . . . 1.0 . . . . . . . . . . . . A . 30 GLU C . . . . . . . . . c30642_6pv1 1 . 6 . 3045 . 1 1 30 GLU CA C 12.750 1.220 2.902 . . . 1.0 . . . . . . . . . . . . A . 30 GLU CA . . . . . . . . . c30642_6pv1 1 . 6 . 3046 . 1 1 30 GLU CB C 13.020 -0.282 3.027 . . . 1.0 . . . . . . . . . . . . A . 30 GLU CB . . . . . . . . . c30642_6pv1 1 . 6 . 3047 . 1 1 30 GLU CD C 12.175 -2.632 2.696 . . . 1.0 . . . . . . . . . . . . A . 30 GLU CD . . . . . . . . . c30642_6pv1 1 . 6 . 3048 . 1 1 30 GLU CG C 11.858 -1.157 2.591 . . . 1.0 . . . . . . . . . . . . A . 30 GLU CG . . . . . . . . . c30642_6pv1 1 . 6 . 3049 . 1 1 30 GLU H H 12.818 1.005 0.796 . . . 1.0 . . . . . . . . . . . . A . 30 GLU H . . . . . . . . . c30642_6pv1 1 . 6 . 3050 . 1 1 30 GLU HA H 11.877 1.476 3.484 . . . 1.0 . . . . . . . . . . . . A . 30 GLU HA . . . . . . . . . c30642_6pv1 1 . 6 . 3051 . 1 1 30 GLU HB2 H 13.879 -0.535 2.424 . . . 1.0 . . . . . . . . . . . . A . 30 GLU HB2 . . . . . . . . . c30642_6pv1 1 . 6 . 3052 . 1 1 30 GLU HB3 H 13.241 -0.507 4.059 . . . 1.0 . . . . . . . . . . . . A . 30 GLU HB3 . . . . . . . . . c30642_6pv1 1 . 6 . 3053 . 1 1 30 GLU HG2 H 11.007 -0.942 3.218 . . . 1.0 . . . . . . . . . . . . A . 30 GLU HG2 . . . . . . . . . c30642_6pv1 1 . 6 . 3054 . 1 1 30 GLU HG3 H 11.614 -0.928 1.565 . . . 1.0 . . . . . . . . . . . . A . 30 GLU HG3 . . . . . . . . . c30642_6pv1 1 . 6 . 3055 . 1 1 30 GLU N N 12.495 1.588 1.515 . . . 1.0 . . . . . . . . . . . . A . 30 GLU N . . . . . . . . . c30642_6pv1 1 . 6 . 3056 . 1 1 30 GLU O O 13.874 2.643 4.479 . . . 1.0 . . . . . . . . . . . . A . 30 GLU O . . . . . . . . . c30642_6pv1 1 . 6 . 3057 . 1 1 30 GLU OE1 O 12.650 -3.214 1.702 . . . 1.0 . . . . . . . . . . . . A . 30 GLU OE1 . . . . . . . . . c30642_6pv1 1 . 6 . 3058 . 1 1 30 GLU OE2 O 11.954 -3.215 3.775 . . . 1.0 . . . . . . . . . . . . A . 30 GLU OE2 . . . . . . . . . c30642_6pv1 1 . 6 . 3059 . 1 1 31 LYS C C 17.022 2.998 1.774 . . . 1.0 . . . . . . . . . . . . A . 31 LYS C . . . . . . . . . c30642_6pv1 1 . 6 . 3060 . 1 1 31 LYS CA C 16.241 2.666 3.036 . . . 1.0 . . . . . . . . . . . . A . 31 LYS CA . . . . . . . . . c30642_6pv1 1 . 6 . 3061 . 1 1 31 LYS CB C 17.105 1.839 3.991 . . . 1.0 . . . . . . . . . . . . A . 31 LYS CB . . . . . . . . . c30642_6pv1 1 . 6 . 3062 . 1 1 31 LYS CD C 19.145 1.741 5.452 . . . 1.0 . . . . . . . . . . . . A . 31 LYS CD . . . . . . . . . c30642_6pv1 1 . 6 . 3063 . 1 1 31 LYS CE C 20.186 2.554 6.206 . . . 1.0 . . . . . . . . . . . . A . 31 LYS CE . . . . . . . . . c30642_6pv1 1 . 6 . 3064 . 1 1 31 LYS CG C 18.237 2.631 4.625 . . . 1.0 . . . . . . . . . . . . A . 31 LYS CG . . . . . . . . . c30642_6pv1 1 . 6 . 3065 . 1 1 31 LYS H H 15.028 1.399 1.866 . . . 1.0 . . . . . . . . . . . . A . 31 LYS H . . . . . . . . . c30642_6pv1 1 . 6 . 3066 . 1 1 31 LYS HA H 15.953 3.586 3.524 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HA . . . . . . . . . c30642_6pv1 1 . 6 . 3067 . 1 1 31 LYS HB2 H 16.478 1.450 4.780 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HB2 . . . . . . . . . c30642_6pv1 1 . 6 . 3068 . 1 1 31 LYS HB3 H 17.533 1.013 3.444 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HB3 . . . . . . . . . c30642_6pv1 1 . 6 . 3069 . 1 1 31 LYS HD2 H 18.546 1.195 6.163 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HD2 . . . . . . . . . c30642_6pv1 1 . 6 . 3070 . 1 1 31 LYS HD3 H 19.650 1.047 4.796 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HD3 . . . . . . . . . c30642_6pv1 1 . 6 . 3071 . 1 1 31 LYS HE2 H 19.681 3.176 6.930 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HE2 . . . . . . . . . c30642_6pv1 1 . 6 . 3072 . 1 1 31 LYS HE3 H 20.850 1.876 6.719 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HE3 . . . . . . . . . c30642_6pv1 1 . 6 . 3073 . 1 1 31 LYS HG2 H 18.820 3.094 3.843 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HG2 . . . . . . . . . c30642_6pv1 1 . 6 . 3074 . 1 1 31 LYS HG3 H 17.817 3.394 5.263 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HG3 . . . . . . . . . c30642_6pv1 1 . 6 . 3075 . 1 1 31 LYS HZ1 H 21.727 3.913 5.847 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HZ1 . . . . . . . . . c30642_6pv1 1 . 6 . 3076 . 1 1 31 LYS HZ2 H 20.376 4.135 4.857 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HZ2 . . . . . . . . . c30642_6pv1 1 . 6 . 3077 . 1 1 31 LYS HZ3 H 21.436 2.854 4.563 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HZ3 . . . . . . . . . c30642_6pv1 1 . 6 . 3078 . 1 1 31 LYS N N 15.035 1.945 2.684 . . . 1.0 . . . . . . . . . . . . A . 31 LYS N . . . . . . . . . c30642_6pv1 1 . 6 . 3079 . 1 1 31 LYS NZ N 20.986 3.422 5.304 . . . 1.0 . . . . . . . . . . . . A . 31 LYS NZ . . . . . . . . . c30642_6pv1 1 . 6 . 3080 . 1 1 31 LYS O O 17.889 2.237 1.342 . . . 1.0 . . . . . . . . . . . . A . 31 LYS O . . . . . . . . . c30642_6pv1 1 . 6 . 3081 . 1 1 32 NH2 HN1 H 15.991 4.679 1.570 . . . 1.0 . . . . . . . . . . . . A . 32 NH2 HN1 . . . . . . . . . c30642_6pv1 1 . 6 . 3082 . 1 1 32 NH2 HN2 H 17.161 4.355 0.337 . . . 1.0 . . . . . . . . . . . . A . 32 NH2 HN2 . . . . . . . . . c30642_6pv1 1 . 6 . 3083 . 1 1 32 NH2 N N 16.693 4.121 1.165 . . . 1.0 . . . . . . . . . . . . A . 32 NH2 N . . . . . . . . . c30642_6pv1 1 . 6 . 3084 . 2 2 1 ZN ZN Zn 2.257 -3.683 1.366 . . . 1.0 . . . . . . . . . . . . A . 101 ZN ZN . . . . . . . . . c30642_6pv1 1 . 7 . 3085 . 1 1 1 ARG C C -12.536 0.938 -2.893 . . . 1.0 . . . . . . . . . . . . A . 1 ARG C . . . . . . . . . c30642_6pv1 1 . 7 . 3086 . 1 1 1 ARG CA C -13.594 1.288 -3.930 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CA . . . . . . . . . c30642_6pv1 1 . 7 . 3087 . 1 1 1 ARG CB C -12.939 1.399 -5.310 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CB . . . . . . . . . c30642_6pv1 1 . 7 . 3088 . 1 1 1 ARG CD C -14.527 0.077 -6.775 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CD . . . . . . . . . c30642_6pv1 1 . 7 . 3089 . 1 1 1 ARG CG C -13.918 1.443 -6.479 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CG . . . . . . . . . c30642_6pv1 1 . 7 . 3090 . 1 1 1 ARG CZ C -15.795 -1.604 -5.481 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CZ . . . . . . . . . c30642_6pv1 1 . 7 . 3091 . 1 1 1 ARG H1 H -13.551 3.324 -3.508 . . . 1.0 . . . . . . . . . . . . A . 1 ARG H1 . . . . . . . . . c30642_6pv1 1 . 7 . 3092 . 1 1 1 ARG H2 H -14.728 2.470 -2.648 . . . 1.0 . . . . . . . . . . . . A . 1 ARG H2 . . . . . . . . . c30642_6pv1 1 . 7 . 3093 . 1 1 1 ARG H3 H -14.964 2.816 -4.284 . . . 1.0 . . . . . . . . . . . . A . 1 ARG H3 . . . . . . . . . c30642_6pv1 1 . 7 . 3094 . 1 1 1 ARG HA H -14.341 0.509 -3.951 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HA . . . . . . . . . c30642_6pv1 1 . 7 . 3095 . 1 1 1 ARG HB2 H -12.346 2.300 -5.337 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HB2 . . . . . . . . . c30642_6pv1 1 . 7 . 3096 . 1 1 1 ARG HB3 H -12.286 0.550 -5.450 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HB3 . . . . . . . . . c30642_6pv1 1 . 7 . 3097 . 1 1 1 ARG HD2 H -15.000 0.112 -7.743 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HD2 . . . . . . . . . c30642_6pv1 1 . 7 . 3098 . 1 1 1 ARG HD3 H -13.733 -0.652 -6.793 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HD3 . . . . . . . . . c30642_6pv1 1 . 7 . 3099 . 1 1 1 ARG HE H -16.025 0.381 -5.327 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HE . . . . . . . . . c30642_6pv1 1 . 7 . 3100 . 1 1 1 ARG HG2 H -14.714 2.132 -6.241 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HG2 . . . . . . . . . c30642_6pv1 1 . 7 . 3101 . 1 1 1 ARG HG3 H -13.394 1.790 -7.359 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HG3 . . . . . . . . . c30642_6pv1 1 . 7 . 3102 . 1 1 1 ARG HH11 H -15.335 -3.548 -5.841 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH11 . . . . . . . . . c30642_6pv1 1 . 7 . 3103 . 1 1 1 ARG HH12 H -14.413 -2.387 -6.744 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH12 . . . . . . . . . c30642_6pv1 1 . 7 . 3104 . 1 1 1 ARG HH21 H -16.946 -2.845 -4.363 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH21 . . . . . . . . . c30642_6pv1 1 . 7 . 3105 . 1 1 1 ARG HH22 H -17.251 -1.151 -4.147 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH22 . . . . . . . . . c30642_6pv1 1 . 7 . 3106 . 1 1 1 ARG N N -14.255 2.561 -3.570 . . . 1.0 . . . . . . . . . . . . A . 1 ARG N . . . . . . . . . c30642_6pv1 1 . 7 . 3107 . 1 1 1 ARG NE N -15.520 -0.332 -5.780 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NE . . . . . . . . . c30642_6pv1 1 . 7 . 3108 . 1 1 1 ARG NH1 N -15.127 -2.591 -6.069 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NH1 . . . . . . . . . c30642_6pv1 1 . 7 . 3109 . 1 1 1 ARG NH2 N -16.737 -1.888 -4.591 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NH2 . . . . . . . . . c30642_6pv1 1 . 7 . 3110 . 1 1 1 ARG O O -11.817 1.818 -2.422 . . . 1.0 . . . . . . . . . . . . A . 1 ARG O . . . . . . . . . c30642_6pv1 1 . 7 . 3111 . 1 1 2 PRO C C -10.062 -0.978 -2.233 . . . 1.0 . . . . . . . . . . . . A . 2 PRO C . . . . . . . . . c30642_6pv1 1 . 7 . 3112 . 1 1 2 PRO CA C -11.417 -0.792 -1.560 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CA . . . . . . . . . c30642_6pv1 1 . 7 . 3113 . 1 1 2 PRO CB C -11.963 -2.130 -1.072 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CB . . . . . . . . . c30642_6pv1 1 . 7 . 3114 . 1 1 2 PRO CD C -13.312 -1.453 -2.935 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CD . . . . . . . . . c30642_6pv1 1 . 7 . 3115 . 1 1 2 PRO CG C -12.741 -2.657 -2.227 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CG . . . . . . . . . c30642_6pv1 1 . 7 . 3116 . 1 1 2 PRO HA H -11.318 -0.111 -0.726 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HA . . . . . . . . . c30642_6pv1 1 . 7 . 3117 . 1 1 2 PRO HB2 H -11.141 -2.784 -0.815 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HB2 . . . . . . . . . c30642_6pv1 1 . 7 . 3118 . 1 1 2 PRO HB3 H -12.592 -1.975 -0.210 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HB3 . . . . . . . . . c30642_6pv1 1 . 7 . 3119 . 1 1 2 PRO HD2 H -13.262 -1.588 -4.005 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HD2 . . . . . . . . . c30642_6pv1 1 . 7 . 3120 . 1 1 2 PRO HD3 H -14.330 -1.282 -2.623 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HD3 . . . . . . . . . c30642_6pv1 1 . 7 . 3121 . 1 1 2 PRO HG2 H -12.087 -3.206 -2.890 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HG2 . . . . . . . . . c30642_6pv1 1 . 7 . 3122 . 1 1 2 PRO HG3 H -13.536 -3.296 -1.871 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HG3 . . . . . . . . . c30642_6pv1 1 . 7 . 3123 . 1 1 2 PRO N N -12.436 -0.343 -2.503 . . . 1.0 . . . . . . . . . . . . A . 2 PRO N . . . . . . . . . c30642_6pv1 1 . 7 . 3124 . 1 1 2 PRO O O -9.983 -1.327 -3.413 . . . 1.0 . . . . . . . . . . . . A . 2 PRO O . . . . . . . . . c30642_6pv1 1 . 7 . 3125 . 1 1 3 PHE C C -6.921 -1.988 -1.282 . . . 1.0 . . . . . . . . . . . . A . 3 PHE C . . . . . . . . . c30642_6pv1 1 . 7 . 3126 . 1 1 3 PHE CA C -7.654 -0.869 -2.003 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CA . . . . . . . . . c30642_6pv1 1 . 7 . 3127 . 1 1 3 PHE CB C -6.901 0.455 -1.851 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CB . . . . . . . . . c30642_6pv1 1 . 7 . 3128 . 1 1 3 PHE CD1 C -7.203 1.763 -3.971 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD1 . . . . . . . . . c30642_6pv1 1 . 7 . 3129 . 1 1 3 PHE CD2 C -8.420 2.438 -2.037 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD2 . . . . . . . . . c30642_6pv1 1 . 7 . 3130 . 1 1 3 PHE CE1 C -7.766 2.799 -4.690 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE1 . . . . . . . . . c30642_6pv1 1 . 7 . 3131 . 1 1 3 PHE CE2 C -8.988 3.475 -2.749 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE2 . . . . . . . . . c30642_6pv1 1 . 7 . 3132 . 1 1 3 PHE CG C -7.524 1.572 -2.637 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CG . . . . . . . . . c30642_6pv1 1 . 7 . 3133 . 1 1 3 PHE CZ C -8.689 3.623 -4.103 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CZ . . . . . . . . . c30642_6pv1 1 . 7 . 3134 . 1 1 3 PHE H H -9.126 -0.474 -0.543 . . . 1.0 . . . . . . . . . . . . A . 3 PHE H . . . . . . . . . c30642_6pv1 1 . 7 . 3135 . 1 1 3 PHE HA H -7.722 -1.115 -3.051 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HA . . . . . . . . . c30642_6pv1 1 . 7 . 3136 . 1 1 3 PHE HB2 H -6.892 0.743 -0.810 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB2 . . . . . . . . . c30642_6pv1 1 . 7 . 3137 . 1 1 3 PHE HB3 H -5.887 0.328 -2.193 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB3 . . . . . . . . . c30642_6pv1 1 . 7 . 3138 . 1 1 3 PHE HD1 H -6.506 1.092 -4.451 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD1 . . . . . . . . . c30642_6pv1 1 . 7 . 3139 . 1 1 3 PHE HD2 H -8.676 2.296 -0.996 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD2 . . . . . . . . . c30642_6pv1 1 . 7 . 3140 . 1 1 3 PHE HE1 H -7.506 2.937 -5.729 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE1 . . . . . . . . . c30642_6pv1 1 . 7 . 3141 . 1 1 3 PHE HE2 H -9.688 4.141 -2.268 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE2 . . . . . . . . . c30642_6pv1 1 . 7 . 3142 . 1 1 3 PHE HZ H -9.144 4.418 -4.674 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HZ . . . . . . . . . c30642_6pv1 1 . 7 . 3143 . 1 1 3 PHE N N -9.001 -0.740 -1.483 . . . 1.0 . . . . . . . . . . . . A . 3 PHE N . . . . . . . . . c30642_6pv1 1 . 7 . 3144 . 1 1 3 PHE O O -7.091 -2.178 -0.079 . . . 1.0 . . . . . . . . . . . . A . 3 PHE O . . . . . . . . . c30642_6pv1 1 . 7 . 3145 . 1 1 4 NLE C C -3.994 -3.914 -2.039 . . . 1.0 . . . . . . . . . . . . A . 4 NLE C . . . . . . . . . c30642_6pv1 1 . 7 . 3146 . 1 1 4 NLE CA C -5.388 -3.846 -1.442 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CA . . . . . . . . . c30642_6pv1 1 . 7 . 3147 . 1 1 4 NLE CB C -6.131 -5.161 -1.693 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CB . . . . . . . . . c30642_6pv1 1 . 7 . 3148 . 1 1 4 NLE CD C -6.173 -7.661 -1.493 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CD . . . . . . . . . c30642_6pv1 1 . 7 . 3149 . 1 1 4 NLE CE C -5.437 -8.868 -0.959 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CE . . . . . . . . . c30642_6pv1 1 . 7 . 3150 . 1 1 4 NLE CG C -5.437 -6.386 -1.118 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CG . . . . . . . . . c30642_6pv1 1 . 7 . 3151 . 1 1 4 NLE H H -6.031 -2.547 -2.978 . . . 1.0 . . . . . . . . . . . . A . 4 NLE H . . . . . . . . . c30642_6pv1 1 . 7 . 3152 . 1 1 4 NLE HA H -5.309 -3.679 -0.379 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HA . . . . . . . . . c30642_6pv1 1 . 7 . 3153 . 1 1 4 NLE HB2 H -6.231 -5.300 -2.758 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HB2 . . . . . . . . . c30642_6pv1 1 . 7 . 3154 . 1 1 4 NLE HB3 H -7.115 -5.092 -1.256 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HB3 . . . . . . . . . c30642_6pv1 1 . 7 . 3155 . 1 1 4 NLE HD2 H -6.233 -7.739 -2.569 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HD2 . . . . . . . . . c30642_6pv1 1 . 7 . 3156 . 1 1 4 NLE HD3 H -7.166 -7.643 -1.068 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HD3 . . . . . . . . . c30642_6pv1 1 . 7 . 3157 . 1 1 4 NLE HE1 H -5.973 -9.766 -1.229 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HE1 . . . . . . . . . c30642_6pv1 1 . 7 . 3158 . 1 1 4 NLE HE2 H -5.370 -8.800 0.117 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HE2 . . . . . . . . . c30642_6pv1 1 . 7 . 3159 . 1 1 4 NLE HE3 H -4.444 -8.901 -1.381 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HE3 . . . . . . . . . c30642_6pv1 1 . 7 . 3160 . 1 1 4 NLE HG2 H -5.410 -6.302 -0.041 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HG2 . . . . . . . . . c30642_6pv1 1 . 7 . 3161 . 1 1 4 NLE HG3 H -4.430 -6.435 -1.503 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HG3 . . . . . . . . . c30642_6pv1 1 . 7 . 3162 . 1 1 4 NLE N N -6.125 -2.738 -2.018 . . . 1.0 . . . . . . . . . . . . A . 4 NLE N . . . . . . . . . c30642_6pv1 1 . 7 . 3163 . 1 1 4 NLE O O -3.829 -3.880 -3.258 . . . 1.0 . . . . . . . . . . . . A . 4 NLE O . . . . . . . . . c30642_6pv1 1 . 7 . 3164 . 1 1 5 CYS C C -1.345 -5.565 -2.041 . . . 1.0 . . . . . . . . . . . . A . 5 CYS C . . . . . . . . . c30642_6pv1 1 . 7 . 3165 . 1 1 5 CYS CA C -1.625 -4.124 -1.636 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CA . . . . . . . . . c30642_6pv1 1 . 7 . 3166 . 1 1 5 CYS CB C -0.648 -3.683 -0.552 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CB . . . . . . . . . c30642_6pv1 1 . 7 . 3167 . 1 1 5 CYS H H -3.183 -3.959 -0.217 . . . 1.0 . . . . . . . . . . . . A . 5 CYS H . . . . . . . . . c30642_6pv1 1 . 7 . 3168 . 1 1 5 CYS HA H -1.501 -3.490 -2.500 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HA . . . . . . . . . c30642_6pv1 1 . 7 . 3169 . 1 1 5 CYS HB2 H -0.866 -2.664 -0.267 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB2 . . . . . . . . . c30642_6pv1 1 . 7 . 3170 . 1 1 5 CYS HB3 H -0.762 -4.325 0.307 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB3 . . . . . . . . . c30642_6pv1 1 . 7 . 3171 . 1 1 5 CYS N N -2.993 -3.992 -1.181 . . . 1.0 . . . . . . . . . . . . A . 5 CYS N . . . . . . . . . c30642_6pv1 1 . 7 . 3172 . 1 1 5 CYS O O -1.023 -6.411 -1.200 . . . 1.0 . . . . . . . . . . . . A . 5 CYS O . . . . . . . . . c30642_6pv1 1 . 7 . 3173 . 1 1 5 CYS SG S 1.082 -3.750 -1.065 . . . 1.0 . . . . . . . . . . . . A . 5 CYS SG . . . . . . . . . c30642_6pv1 1 . 7 . 3174 . 1 1 6 THR C C 0.231 -7.405 -4.159 . . . 1.0 . . . . . . . . . . . . A . 6 THR C . . . . . . . . . c30642_6pv1 1 . 7 . 3175 . 1 1 6 THR CA C -1.253 -7.157 -3.881 . . . 1.0 . . . . . . . . . . . . A . 6 THR CA . . . . . . . . . c30642_6pv1 1 . 7 . 3176 . 1 1 6 THR CB C -2.059 -7.336 -5.181 . . . 1.0 . . . . . . . . . . . . A . 6 THR CB . . . . . . . . . c30642_6pv1 1 . 7 . 3177 . 1 1 6 THR CG2 C -3.537 -7.538 -4.881 . . . 1.0 . . . . . . . . . . . . A . 6 THR CG2 . . . . . . . . . c30642_6pv1 1 . 7 . 3178 . 1 1 6 THR H H -1.732 -5.105 -3.944 . . . 1.0 . . . . . . . . . . . . A . 6 THR H . . . . . . . . . c30642_6pv1 1 . 7 . 3179 . 1 1 6 THR HA H -1.604 -7.881 -3.161 . . . 1.0 . . . . . . . . . . . . A . 6 THR HA . . . . . . . . . c30642_6pv1 1 . 7 . 3180 . 1 1 6 THR HB H -1.688 -8.208 -5.702 . . . 1.0 . . . . . . . . . . . . A . 6 THR HB . . . . . . . . . c30642_6pv1 1 . 7 . 3181 . 1 1 6 THR HG1 H -2.421 -6.282 -6.819 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG1 . . . . . . . . . c30642_6pv1 1 . 7 . 3182 . 1 1 6 THR HG21 H -3.916 -6.680 -4.348 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG21 . . . . . . . . . c30642_6pv1 1 . 7 . 3183 . 1 1 6 THR HG22 H -3.663 -8.424 -4.276 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG22 . . . . . . . . . c30642_6pv1 1 . 7 . 3184 . 1 1 6 THR HG23 H -4.079 -7.655 -5.807 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG23 . . . . . . . . . c30642_6pv1 1 . 7 . 3185 . 1 1 6 THR N N -1.472 -5.830 -3.333 . . . 1.0 . . . . . . . . . . . . A . 6 THR N . . . . . . . . . c30642_6pv1 1 . 7 . 3186 . 1 1 6 THR O O 0.595 -8.007 -5.168 . . . 1.0 . . . . . . . . . . . . A . 6 THR O . . . . . . . . . c30642_6pv1 1 . 7 . 3187 . 1 1 6 THR OG1 O -1.889 -6.181 -6.020 . . . 1.0 . . . . . . . . . . . . A . 6 THR OG1 . . . . . . . . . c30642_6pv1 1 . 7 . 3188 . 1 1 7 TRP C C 3.011 -8.392 -2.888 . . . 1.0 . . . . . . . . . . . . A . 7 TRP C . . . . . . . . . c30642_6pv1 1 . 7 . 3189 . 1 1 7 TRP CA C 2.520 -7.054 -3.430 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CA . . . . . . . . . c30642_6pv1 1 . 7 . 3190 . 1 1 7 TRP CB C 3.235 -5.898 -2.726 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CB . . . . . . . . . c30642_6pv1 1 . 7 . 3191 . 1 1 7 TRP CD1 C 5.678 -6.678 -2.740 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD1 . . . . . . . . . c30642_6pv1 1 . 7 . 3192 . 1 1 7 TRP CD2 C 5.345 -4.695 -3.715 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD2 . . . . . . . . . c30642_6pv1 1 . 7 . 3193 . 1 1 7 TRP CE2 C 6.715 -5.008 -3.793 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE2 . . . . . . . . . c30642_6pv1 1 . 7 . 3194 . 1 1 7 TRP CE3 C 4.899 -3.490 -4.261 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE3 . . . . . . . . . c30642_6pv1 1 . 7 . 3195 . 1 1 7 TRP CG C 4.697 -5.783 -3.049 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CG . . . . . . . . . c30642_6pv1 1 . 7 . 3196 . 1 1 7 TRP CH2 C 7.175 -2.983 -4.917 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CH2 . . . . . . . . . c30642_6pv1 1 . 7 . 3197 . 1 1 7 TRP CZ2 C 7.641 -4.158 -4.392 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ2 . . . . . . . . . c30642_6pv1 1 . 7 . 3198 . 1 1 7 TRP CZ3 C 5.820 -2.646 -4.854 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ3 . . . . . . . . . c30642_6pv1 1 . 7 . 3199 . 1 1 7 TRP H H 0.732 -6.490 -2.460 . . . 1.0 . . . . . . . . . . . . A . 7 TRP H . . . . . . . . . c30642_6pv1 1 . 7 . 3200 . 1 1 7 TRP HA H 2.733 -7.009 -4.485 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HA . . . . . . . . . c30642_6pv1 1 . 7 . 3201 . 1 1 7 TRP HB2 H 2.762 -4.973 -3.007 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB2 . . . . . . . . . c30642_6pv1 1 . 7 . 3202 . 1 1 7 TRP HB3 H 3.142 -6.029 -1.660 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB3 . . . . . . . . . c30642_6pv1 1 . 7 . 3203 . 1 1 7 TRP HD1 H 5.505 -7.608 -2.225 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HD1 . . . . . . . . . c30642_6pv1 1 . 7 . 3204 . 1 1 7 TRP HE1 H 7.748 -6.697 -3.100 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE1 . . . . . . . . . c30642_6pv1 1 . 7 . 3205 . 1 1 7 TRP HE3 H 3.857 -3.211 -4.219 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE3 . . . . . . . . . c30642_6pv1 1 . 7 . 3206 . 1 1 7 TRP HH2 H 7.857 -2.292 -5.389 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HH2 . . . . . . . . . c30642_6pv1 1 . 7 . 3207 . 1 1 7 TRP HZ2 H 8.690 -4.405 -4.449 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ2 . . . . . . . . . c30642_6pv1 1 . 7 . 3208 . 1 1 7 TRP HZ3 H 5.494 -1.709 -5.277 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ3 . . . . . . . . . c30642_6pv1 1 . 7 . 3209 . 1 1 7 TRP N N 1.083 -6.931 -3.259 . . . 1.0 . . . . . . . . . . . . A . 7 TRP N . . . . . . . . . c30642_6pv1 1 . 7 . 3210 . 1 1 7 TRP NE1 N 6.892 -6.226 -3.194 . . . 1.0 . . . . . . . . . . . . A . 7 TRP NE1 . . . . . . . . . c30642_6pv1 1 . 7 . 3211 . 1 1 7 TRP O O 3.371 -8.498 -1.715 . . . 1.0 . . . . . . . . . . . . A . 7 TRP O . . . . . . . . . c30642_6pv1 1 . 7 . 3212 . 1 1 8 ABA C C 3.146 -11.234 -2.065 . . . 1.0 . . . . . . . . . . . . A . 8 AIB C . . . . . . . . . c30642_6pv1 1 . 7 . 3213 . 1 1 8 ABA CA C 3.526 -10.739 -3.468 . . . 1.0 . . . . . . . . . . . . A . 8 AIB CA . . . . . . . . . c30642_6pv1 1 . 7 . 3214 . 1 1 8 ABA H H 2.536 -9.251 -4.615 . . . 1.0 . . . . . . . . . . . . A . 8 AIB H . . . . . . . . . c30642_6pv1 1 . 7 . 3215 . 1 1 8 ABA N N 2.965 -9.404 -3.746 . . . 1.0 . . . . . . . . . . . . A . 8 AIB N . . . . . . . . . c30642_6pv1 1 . 7 . 3216 . 1 1 8 ABA O O 4.003 -11.684 -1.303 . . . 1.0 . . . . . . . . . . . . A . 8 AIB O . . . . . . . . . c30642_6pv1 1 . 7 . 3217 . 1 1 9 GLY C C 1.497 -10.692 0.673 . . . 1.0 . . . . . . . . . . . . A . 9 GLY C . . . . . . . . . c30642_6pv1 1 . 7 . 3218 . 1 1 9 GLY CA C 1.401 -11.684 -0.467 . . . 1.0 . . . . . . . . . . . . A . 9 GLY CA . . . . . . . . . c30642_6pv1 1 . 7 . 3219 . 1 1 9 GLY H H 1.237 -10.729 -2.351 . . . 1.0 . . . . . . . . . . . . A . 9 GLY H . . . . . . . . . c30642_6pv1 1 . 7 . 3220 . 1 1 9 GLY HA2 H 0.371 -11.983 -0.579 . . . 1.0 . . . . . . . . . . . . A . 9 GLY HA2 . . . . . . . . . c30642_6pv1 1 . 7 . 3221 . 1 1 9 GLY HA3 H 1.991 -12.552 -0.222 . . . 1.0 . . . . . . . . . . . . A . 9 GLY HA3 . . . . . . . . . c30642_6pv1 1 . 7 . 3222 . 1 1 9 GLY N N 1.869 -11.150 -1.731 . . . 1.0 . . . . . . . . . . . . A . 9 GLY N . . . . . . . . . c30642_6pv1 1 . 7 . 3223 . 1 1 9 GLY O O 1.695 -11.080 1.824 . . . 1.0 . . . . . . . . . . . . A . 9 GLY O . . . . . . . . . c30642_6pv1 1 . 7 . 3224 . 1 1 10 CYS C C -0.010 -8.323 2.055 . . . 1.0 . . . . . . . . . . . . A . 10 CYS C . . . . . . . . . c30642_6pv1 1 . 7 . 3225 . 1 1 10 CYS CA C 1.363 -8.387 1.385 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CA . . . . . . . . . c30642_6pv1 1 . 7 . 3226 . 1 1 10 CYS CB C 1.746 -7.043 0.771 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CB . . . . . . . . . c30642_6pv1 1 . 7 . 3227 . 1 1 10 CYS H H 1.251 -9.160 -0.576 . . . 1.0 . . . . . . . . . . . . A . 10 CYS H . . . . . . . . . c30642_6pv1 1 . 7 . 3228 . 1 1 10 CYS HA H 2.099 -8.659 2.125 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HA . . . . . . . . . c30642_6pv1 1 . 7 . 3229 . 1 1 10 CYS HB2 H 2.649 -7.169 0.192 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB2 . . . . . . . . . c30642_6pv1 1 . 7 . 3230 . 1 1 10 CYS HB3 H 0.954 -6.718 0.118 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB3 . . . . . . . . . c30642_6pv1 1 . 7 . 3231 . 1 1 10 CYS N N 1.358 -9.415 0.363 . . . 1.0 . . . . . . . . . . . . A . 10 CYS N . . . . . . . . . c30642_6pv1 1 . 7 . 3232 . 1 1 10 CYS O O -0.135 -8.515 3.268 . . . 1.0 . . . . . . . . . . . . A . 10 CYS O . . . . . . . . . c30642_6pv1 1 . 7 . 3233 . 1 1 10 CYS SG S 2.047 -5.726 1.965 . . . 1.0 . . . . . . . . . . . . A . 10 CYS SG . . . . . . . . . c30642_6pv1 1 . 7 . 3234 . 1 1 11 GLY C C -2.952 -7.102 2.539 . . . 1.0 . . . . . . . . . . . . A . 11 GLY C . . . . . . . . . c30642_6pv1 1 . 7 . 3235 . 1 1 11 GLY CA C -2.409 -8.239 1.693 . . . 1.0 . . . . . . . . . . . . A . 11 GLY CA . . . . . . . . . c30642_6pv1 1 . 7 . 3236 . 1 1 11 GLY H H -0.864 -7.769 0.325 . . . 1.0 . . . . . . . . . . . . A . 11 GLY H . . . . . . . . . c30642_6pv1 1 . 7 . 3237 . 1 1 11 GLY HA2 H -3.037 -8.338 0.821 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA2 . . . . . . . . . c30642_6pv1 1 . 7 . 3238 . 1 1 11 GLY HA3 H -2.472 -9.154 2.262 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA3 . . . . . . . . . c30642_6pv1 1 . 7 . 3239 . 1 1 11 GLY N N -1.039 -8.068 1.248 . . . 1.0 . . . . . . . . . . . . A . 11 GLY N . . . . . . . . . c30642_6pv1 1 . 7 . 3240 . 1 1 11 GLY O O -4.082 -7.185 3.023 . . . 1.0 . . . . . . . . . . . . A . 11 GLY O . . . . . . . . . c30642_6pv1 1 . 7 . 3241 . 1 1 12 LYS C C -3.717 -4.143 2.757 . . . 1.0 . . . . . . . . . . . . A . 12 LYS C . . . . . . . . . c30642_6pv1 1 . 7 . 3242 . 1 1 12 LYS CA C -2.635 -4.905 3.510 . . . 1.0 . . . . . . . . . . . . A . 12 LYS CA . . . . . . . . . c30642_6pv1 1 . 7 . 3243 . 1 1 12 LYS CB C -1.478 -3.964 3.875 . . . 1.0 . . . . . . . . . . . . A . 12 LYS CB . . . . . . . . . c30642_6pv1 1 . 7 . 3244 . 1 1 12 LYS CD C 0.158 -5.696 4.706 . . . 1.0 . . . . . . . . . . . . A . 12 LYS CD . . . . . . . . . c30642_6pv1 1 . 7 . 3245 . 1 1 12 LYS CE C 1.018 -6.158 5.868 . . . 1.0 . . . . . . . . . . . . A . 12 LYS CE . . . . . . . . . c30642_6pv1 1 . 7 . 3246 . 1 1 12 LYS CG C -0.626 -4.441 5.046 . . . 1.0 . . . . . . . . . . . . A . 12 LYS CG . . . . . . . . . c30642_6pv1 1 . 7 . 3247 . 1 1 12 LYS H H -1.289 -6.019 2.308 . . . 1.0 . . . . . . . . . . . . A . 12 LYS H . . . . . . . . . c30642_6pv1 1 . 7 . 3248 . 1 1 12 LYS HA H -3.065 -5.297 4.420 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HA . . . . . . . . . c30642_6pv1 1 . 7 . 3249 . 1 1 12 LYS HB2 H -0.833 -3.855 3.016 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HB2 . . . . . . . . . c30642_6pv1 1 . 7 . 3250 . 1 1 12 LYS HB3 H -1.886 -2.995 4.128 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HB3 . . . . . . . . . c30642_6pv1 1 . 7 . 3251 . 1 1 12 LYS HD2 H -0.536 -6.483 4.453 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HD2 . . . . . . . . . c30642_6pv1 1 . 7 . 3252 . 1 1 12 LYS HD3 H 0.795 -5.489 3.858 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HD3 . . . . . . . . . c30642_6pv1 1 . 7 . 3253 . 1 1 12 LYS HE2 H 1.674 -5.351 6.156 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HE2 . . . . . . . . . c30642_6pv1 1 . 7 . 3254 . 1 1 12 LYS HE3 H 0.375 -6.413 6.696 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HE3 . . . . . . . . . c30642_6pv1 1 . 7 . 3255 . 1 1 12 LYS HG2 H 0.066 -3.661 5.313 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HG2 . . . . . . . . . c30642_6pv1 1 . 7 . 3256 . 1 1 12 LYS HG3 H -1.274 -4.649 5.885 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HG3 . . . . . . . . . c30642_6pv1 1 . 7 . 3257 . 1 1 12 LYS HZ1 H 1.228 -8.126 5.195 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HZ1 . . . . . . . . . c30642_6pv1 1 . 7 . 3258 . 1 1 12 LYS HZ2 H 2.388 -7.663 6.332 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HZ2 . . . . . . . . . c30642_6pv1 1 . 7 . 3259 . 1 1 12 LYS HZ3 H 2.503 -7.109 4.742 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HZ3 . . . . . . . . . c30642_6pv1 1 . 7 . 3260 . 1 1 12 LYS N N -2.176 -6.042 2.718 . . . 1.0 . . . . . . . . . . . . A . 12 LYS N . . . . . . . . . c30642_6pv1 1 . 7 . 3261 . 1 1 12 LYS NZ N 1.840 -7.345 5.509 . . . 1.0 . . . . . . . . . . . . A . 12 LYS NZ . . . . . . . . . c30642_6pv1 1 . 7 . 3262 . 1 1 12 LYS O O -3.518 -3.738 1.610 . . . 1.0 . . . . . . . . . . . . A . 12 LYS O . . . . . . . . . c30642_6pv1 1 . 7 . 3263 . 1 1 13 ARG C C -6.139 -1.875 3.271 . . . 1.0 . . . . . . . . . . . . A . 13 ARG C . . . . . . . . . c30642_6pv1 1 . 7 . 3264 . 1 1 13 ARG CA C -5.994 -3.302 2.773 . . . 1.0 . . . . . . . . . . . . A . 13 ARG CA . . . . . . . . . c30642_6pv1 1 . 7 . 3265 . 1 1 13 ARG CB C -7.284 -4.070 3.046 . . . 1.0 . . . . . . . . . . . . A . 13 ARG CB . . . . . . . . . c30642_6pv1 1 . 7 . 3266 . 1 1 13 ARG CD C -8.613 -6.167 2.739 . . . 1.0 . . . . . . . . . . . . A . 13 ARG CD . . . . . . . . . c30642_6pv1 1 . 7 . 3267 . 1 1 13 ARG CG C -7.298 -5.465 2.455 . . . 1.0 . . . . . . . . . . . . A . 13 ARG CG . . . . . . . . . c30642_6pv1 1 . 7 . 3268 . 1 1 13 ARG CZ C -10.599 -5.885 1.292 . . . 1.0 . . . . . . . . . . . . A . 13 ARG CZ . . . . . . . . . c30642_6pv1 1 . 7 . 3269 . 1 1 13 ARG H H -4.946 -4.283 4.325 . . . 1.0 . . . . . . . . . . . . A . 13 ARG H . . . . . . . . . c30642_6pv1 1 . 7 . 3270 . 1 1 13 ARG HA H -5.816 -3.282 1.708 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HA . . . . . . . . . c30642_6pv1 1 . 7 . 3271 . 1 1 13 ARG HB2 H -7.419 -4.153 4.114 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HB2 . . . . . . . . . c30642_6pv1 1 . 7 . 3272 . 1 1 13 ARG HB3 H -8.113 -3.517 2.630 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HB3 . . . . . . . . . c30642_6pv1 1 . 7 . 3273 . 1 1 13 ARG HD2 H -8.591 -7.142 2.283 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HD2 . . . . . . . . . c30642_6pv1 1 . 7 . 3274 . 1 1 13 ARG HD3 H -8.725 -6.274 3.808 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HD3 . . . . . . . . . c30642_6pv1 1 . 7 . 3275 . 1 1 13 ARG HE H -9.907 -4.514 2.574 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HE . . . . . . . . . c30642_6pv1 1 . 7 . 3276 . 1 1 13 ARG HG2 H -7.162 -5.393 1.385 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HG2 . . . . . . . . . c30642_6pv1 1 . 7 . 3277 . 1 1 13 ARG HG3 H -6.491 -6.037 2.886 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HG3 . . . . . . . . . c30642_6pv1 1 . 7 . 3278 . 1 1 13 ARG HH11 H -11.066 -7.444 0.083 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HH11 . . . . . . . . . c30642_6pv1 1 . 7 . 3279 . 1 1 13 ARG HH12 H -9.666 -7.674 1.079 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HH12 . . . . . . . . . c30642_6pv1 1 . 7 . 3280 . 1 1 13 ARG HH21 H -11.747 -4.217 1.277 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HH21 . . . . . . . . . c30642_6pv1 1 . 7 . 3281 . 1 1 13 ARG HH22 H -12.245 -5.475 0.189 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HH22 . . . . . . . . . c30642_6pv1 1 . 7 . 3282 . 1 1 13 ARG N N -4.861 -3.965 3.400 . . . 1.0 . . . . . . . . . . . . A . 13 ARG N . . . . . . . . . c30642_6pv1 1 . 7 . 3283 . 1 1 13 ARG NE N -9.757 -5.419 2.213 . . . 1.0 . . . . . . . . . . . . A . 13 ARG NE . . . . . . . . . c30642_6pv1 1 . 7 . 3284 . 1 1 13 ARG NH1 N -10.429 -7.097 0.775 . . . 1.0 . . . . . . . . . . . . A . 13 ARG NH1 . . . . . . . . . c30642_6pv1 1 . 7 . 3285 . 1 1 13 ARG NH2 N -11.613 -5.135 0.888 . . . 1.0 . . . . . . . . . . . . A . 13 ARG NH2 . . . . . . . . . c30642_6pv1 1 . 7 . 3286 . 1 1 13 ARG O O -5.886 -1.580 4.442 . . . 1.0 . . . . . . . . . . . . A . 13 ARG O . . . . . . . . . c30642_6pv1 1 . 7 . 3287 . 1 1 14 PHE C C -8.004 0.916 2.036 . . . 1.0 . . . . . . . . . . . . A . 14 PHE C . . . . . . . . . c30642_6pv1 1 . 7 . 3288 . 1 1 14 PHE CA C -6.726 0.410 2.685 . . . 1.0 . . . . . . . . . . . . A . 14 PHE CA . . . . . . . . . c30642_6pv1 1 . 7 . 3289 . 1 1 14 PHE CB C -5.531 1.220 2.179 . . . 1.0 . . . . . . . . . . . . A . 14 PHE CB . . . . . . . . . c30642_6pv1 1 . 7 . 3290 . 1 1 14 PHE CD1 C -3.720 1.034 3.896 . . . 1.0 . . . . . . . . . . . . A . 14 PHE CD1 . . . . . . . . . c30642_6pv1 1 . 7 . 3291 . 1 1 14 PHE CD2 C -3.467 -0.159 1.850 . . . 1.0 . . . . . . . . . . . . A . 14 PHE CD2 . . . . . . . . . c30642_6pv1 1 . 7 . 3292 . 1 1 14 PHE CE1 C -2.509 0.542 4.337 . . . 1.0 . . . . . . . . . . . . A . 14 PHE CE1 . . . . . . . . . c30642_6pv1 1 . 7 . 3293 . 1 1 14 PHE CE2 C -2.255 -0.654 2.285 . . . 1.0 . . . . . . . . . . . . A . 14 PHE CE2 . . . . . . . . . c30642_6pv1 1 . 7 . 3294 . 1 1 14 PHE CG C -4.211 0.690 2.650 . . . 1.0 . . . . . . . . . . . . A . 14 PHE CG . . . . . . . . . c30642_6pv1 1 . 7 . 3295 . 1 1 14 PHE CZ C -1.777 -0.302 3.530 . . . 1.0 . . . . . . . . . . . . A . 14 PHE CZ . . . . . . . . . c30642_6pv1 1 . 7 . 3296 . 1 1 14 PHE H H -6.732 -1.300 1.457 . . . 1.0 . . . . . . . . . . . . A . 14 PHE H . . . . . . . . . c30642_6pv1 1 . 7 . 3297 . 1 1 14 PHE HA H -6.801 0.513 3.758 . . . 1.0 . . . . . . . . . . . . A . 14 PHE HA . . . . . . . . . c30642_6pv1 1 . 7 . 3298 . 1 1 14 PHE HB2 H -5.529 1.210 1.100 . . . 1.0 . . . . . . . . . . . . A . 14 PHE HB2 . . . . . . . . . c30642_6pv1 1 . 7 . 3299 . 1 1 14 PHE HB3 H -5.623 2.236 2.524 . . . 1.0 . . . . . . . . . . . . A . 14 PHE HB3 . . . . . . . . . c30642_6pv1 1 . 7 . 3300 . 1 1 14 PHE HD1 H -4.295 1.695 4.527 . . . 1.0 . . . . . . . . . . . . A . 14 PHE HD1 . . . . . . . . . c30642_6pv1 1 . 7 . 3301 . 1 1 14 PHE HD2 H -3.846 -0.437 0.877 . . . 1.0 . . . . . . . . . . . . A . 14 PHE HD2 . . . . . . . . . c30642_6pv1 1 . 7 . 3302 . 1 1 14 PHE HE1 H -2.136 0.818 5.310 . . . 1.0 . . . . . . . . . . . . A . 14 PHE HE1 . . . . . . . . . c30642_6pv1 1 . 7 . 3303 . 1 1 14 PHE HE2 H -1.681 -1.315 1.650 . . . 1.0 . . . . . . . . . . . . A . 14 PHE HE2 . . . . . . . . . c30642_6pv1 1 . 7 . 3304 . 1 1 14 PHE HZ H -0.828 -0.688 3.873 . . . 1.0 . . . . . . . . . . . . A . 14 PHE HZ . . . . . . . . . c30642_6pv1 1 . 7 . 3305 . 1 1 14 PHE N N -6.542 -0.993 2.372 . . . 1.0 . . . . . . . . . . . . A . 14 PHE N . . . . . . . . . c30642_6pv1 1 . 7 . 3306 . 1 1 14 PHE O O -8.447 0.374 1.024 . . . 1.0 . . . . . . . . . . . . A . 14 PHE O . . . . . . . . . c30642_6pv1 1 . 7 . 3307 . 1 1 15 THR C C -9.482 3.825 1.316 . . . 1.0 . . . . . . . . . . . . A . 15 THR C . . . . . . . . . c30642_6pv1 1 . 7 . 3308 . 1 1 15 THR CA C -9.802 2.529 2.048 . . . 1.0 . . . . . . . . . . . . A . 15 THR CA . . . . . . . . . c30642_6pv1 1 . 7 . 3309 . 1 1 15 THR CB C -10.853 2.789 3.138 . . . 1.0 . . . . . . . . . . . . A . 15 THR CB . . . . . . . . . c30642_6pv1 1 . 7 . 3310 . 1 1 15 THR CG2 C -11.542 1.495 3.540 . . . 1.0 . . . . . . . . . . . . A . 15 THR CG2 . . . . . . . . . c30642_6pv1 1 . 7 . 3311 . 1 1 15 THR H H -8.231 2.315 3.445 . . . 1.0 . . . . . . . . . . . . A . 15 THR H . . . . . . . . . c30642_6pv1 1 . 7 . 3312 . 1 1 15 THR HA H -10.213 1.824 1.339 . . . 1.0 . . . . . . . . . . . . A . 15 THR HA . . . . . . . . . c30642_6pv1 1 . 7 . 3313 . 1 1 15 THR HB H -11.596 3.467 2.744 . . . 1.0 . . . . . . . . . . . . A . 15 THR HB . . . . . . . . . c30642_6pv1 1 . 7 . 3314 . 1 1 15 THR HG1 H -10.347 2.809 5.050 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG1 . . . . . . . . . c30642_6pv1 1 . 7 . 3315 . 1 1 15 THR HG21 H -12.249 1.694 4.331 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG21 . . . . . . . . . c30642_6pv1 1 . 7 . 3316 . 1 1 15 THR HG22 H -10.803 0.788 3.888 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG22 . . . . . . . . . c30642_6pv1 1 . 7 . 3317 . 1 1 15 THR HG23 H -12.061 1.081 2.688 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG23 . . . . . . . . . c30642_6pv1 1 . 7 . 3318 . 1 1 15 THR N N -8.600 1.942 2.612 . . . 1.0 . . . . . . . . . . . . A . 15 THR N . . . . . . . . . c30642_6pv1 1 . 7 . 3319 . 1 1 15 THR O O -10.379 4.528 0.850 . . . 1.0 . . . . . . . . . . . . A . 15 THR O . . . . . . . . . c30642_6pv1 1 . 7 . 3320 . 1 1 15 THR OG1 O -10.234 3.389 4.286 . . . 1.0 . . . . . . . . . . . . A . 15 THR OG1 . . . . . . . . . c30642_6pv1 1 . 7 . 3321 . 1 1 16 ARG C C -6.554 5.025 -0.356 . . . 1.0 . . . . . . . . . . . . A . 16 ARG C . . . . . . . . . c30642_6pv1 1 . 7 . 3322 . 1 1 16 ARG CA C -7.744 5.337 0.543 . . . 1.0 . . . . . . . . . . . . A . 16 ARG CA . . . . . . . . . c30642_6pv1 1 . 7 . 3323 . 1 1 16 ARG CB C -7.355 6.403 1.571 . . . 1.0 . . . . . . . . . . . . A . 16 ARG CB . . . . . . . . . c30642_6pv1 1 . 7 . 3324 . 1 1 16 ARG CD C -8.118 8.108 3.241 . . . 1.0 . . . . . . . . . . . . A . 16 ARG CD . . . . . . . . . c30642_6pv1 1 . 7 . 3325 . 1 1 16 ARG CG C -8.502 6.867 2.454 . . . 1.0 . . . . . . . . . . . . A . 16 ARG CG . . . . . . . . . c30642_6pv1 1 . 7 . 3326 . 1 1 16 ARG CZ C -6.611 9.951 2.566 . . . 1.0 . . . . . . . . . . . . A . 16 ARG CZ . . . . . . . . . c30642_6pv1 1 . 7 . 3327 . 1 1 16 ARG H H -7.529 3.521 1.594 . . . 1.0 . . . . . . . . . . . . A . 16 ARG H . . . . . . . . . c30642_6pv1 1 . 7 . 3328 . 1 1 16 ARG HA H -8.558 5.704 -0.062 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HA . . . . . . . . . c30642_6pv1 1 . 7 . 3329 . 1 1 16 ARG HB2 H -6.585 5.999 2.210 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HB2 . . . . . . . . . c30642_6pv1 1 . 7 . 3330 . 1 1 16 ARG HB3 H -6.962 7.262 1.051 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HB3 . . . . . . . . . c30642_6pv1 1 . 7 . 3331 . 1 1 16 ARG HD2 H -8.974 8.437 3.811 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HD2 . . . . . . . . . c30642_6pv1 1 . 7 . 3332 . 1 1 16 ARG HD3 H -7.312 7.859 3.912 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HD3 . . . . . . . . . c30642_6pv1 1 . 7 . 3333 . 1 1 16 ARG HE H -8.229 9.351 1.548 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HE . . . . . . . . . c30642_6pv1 1 . 7 . 3334 . 1 1 16 ARG HG2 H -9.356 7.094 1.834 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HG2 . . . . . . . . . c30642_6pv1 1 . 7 . 3335 . 1 1 16 ARG HG3 H -8.756 6.077 3.145 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HG3 . . . . . . . . . c30642_6pv1 1 . 7 . 3336 . 1 1 16 ARG HH11 H -6.113 9.094 4.335 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HH11 . . . . . . . . . c30642_6pv1 1 . 7 . 3337 . 1 1 16 ARG HH12 H -5.062 10.365 3.803 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HH12 . . . . . . . . . c30642_6pv1 1 . 7 . 3338 . 1 1 16 ARG HH21 H -6.840 11.013 0.855 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HH21 . . . . . . . . . c30642_6pv1 1 . 7 . 3339 . 1 1 16 ARG HH22 H -5.473 11.454 1.828 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HH22 . . . . . . . . . c30642_6pv1 1 . 7 . 3340 . 1 1 16 ARG N N -8.196 4.129 1.213 . . . 1.0 . . . . . . . . . . . . A . 16 ARG N . . . . . . . . . c30642_6pv1 1 . 7 . 3341 . 1 1 16 ARG NE N -7.687 9.191 2.357 . . . 1.0 . . . . . . . . . . . . A . 16 ARG NE . . . . . . . . . c30642_6pv1 1 . 7 . 3342 . 1 1 16 ARG NH1 N -5.871 9.790 3.655 . . . 1.0 . . . . . . . . . . . . A . 16 ARG NH1 . . . . . . . . . c30642_6pv1 1 . 7 . 3343 . 1 1 16 ARG NH2 N -6.283 10.881 1.681 . . . 1.0 . . . . . . . . . . . . A . 16 ARG NH2 . . . . . . . . . c30642_6pv1 1 . 7 . 3344 . 1 1 16 ARG O O -5.616 4.331 0.050 . . . 1.0 . . . . . . . . . . . . A . 16 ARG O . . . . . . . . . c30642_6pv1 1 . 7 . 3345 . 1 1 17 SER C C -4.253 5.985 -2.117 . . . 1.0 . . . . . . . . . . . . A . 17 SER C . . . . . . . . . c30642_6pv1 1 . 7 . 3346 . 1 1 17 SER CA C -5.546 5.313 -2.555 . . . 1.0 . . . . . . . . . . . . A . 17 SER CA . . . . . . . . . c30642_6pv1 1 . 7 . 3347 . 1 1 17 SER CB C -5.984 5.840 -3.920 . . . 1.0 . . . . . . . . . . . . A . 17 SER CB . . . . . . . . . c30642_6pv1 1 . 7 . 3348 . 1 1 17 SER H H -7.365 6.107 -1.834 . . . 1.0 . . . . . . . . . . . . A . 17 SER H . . . . . . . . . c30642_6pv1 1 . 7 . 3349 . 1 1 17 SER HA H -5.382 4.248 -2.622 . . . 1.0 . . . . . . . . . . . . A . 17 SER HA . . . . . . . . . c30642_6pv1 1 . 7 . 3350 . 1 1 17 SER HB2 H -5.145 5.816 -4.599 . . . 1.0 . . . . . . . . . . . . A . 17 SER HB2 . . . . . . . . . c30642_6pv1 1 . 7 . 3351 . 1 1 17 SER HB3 H -6.778 5.219 -4.307 . . . 1.0 . . . . . . . . . . . . A . 17 SER HB3 . . . . . . . . . c30642_6pv1 1 . 7 . 3352 . 1 1 17 SER HG H -5.732 7.782 -4.014 . . . 1.0 . . . . . . . . . . . . A . 17 SER HG . . . . . . . . . c30642_6pv1 1 . 7 . 3353 . 1 1 17 SER N N -6.599 5.543 -1.578 . . . 1.0 . . . . . . . . . . . . A . 17 SER N . . . . . . . . . c30642_6pv1 1 . 7 . 3354 . 1 1 17 SER O O -3.160 5.481 -2.369 . . . 1.0 . . . . . . . . . . . . A . 17 SER O . . . . . . . . . c30642_6pv1 1 . 7 . 3355 . 1 1 17 SER OG O -6.454 7.174 -3.819 . . . 1.0 . . . . . . . . . . . . A . 17 SER OG . . . . . . . . . c30642_6pv1 1 . 7 . 3356 . 1 1 18 ASP C C -2.596 7.021 0.196 . . . 1.0 . . . . . . . . . . . . A . 18 ASP C . . . . . . . . . c30642_6pv1 1 . 7 . 3357 . 1 1 18 ASP CA C -3.247 7.840 -0.904 . . . 1.0 . . . . . . . . . . . . A . 18 ASP CA . . . . . . . . . c30642_6pv1 1 . 7 . 3358 . 1 1 18 ASP CB C -3.669 9.202 -0.350 . . . 1.0 . . . . . . . . . . . . A . 18 ASP CB . . . . . . . . . c30642_6pv1 1 . 7 . 3359 . 1 1 18 ASP CG C -2.538 9.900 0.375 . . . 1.0 . . . . . . . . . . . . A . 18 ASP CG . . . . . . . . . c30642_6pv1 1 . 7 . 3360 . 1 1 18 ASP H H -5.293 7.501 -1.337 . . . 1.0 . . . . . . . . . . . . A . 18 ASP H . . . . . . . . . c30642_6pv1 1 . 7 . 3361 . 1 1 18 ASP HA H -2.533 7.987 -1.699 . . . 1.0 . . . . . . . . . . . . A . 18 ASP HA . . . . . . . . . c30642_6pv1 1 . 7 . 3362 . 1 1 18 ASP HB2 H -3.991 9.832 -1.164 . . . 1.0 . . . . . . . . . . . . A . 18 ASP HB2 . . . . . . . . . c30642_6pv1 1 . 7 . 3363 . 1 1 18 ASP HB3 H -4.486 9.067 0.341 . . . 1.0 . . . . . . . . . . . . A . 18 ASP HB3 . . . . . . . . . c30642_6pv1 1 . 7 . 3364 . 1 1 18 ASP N N -4.393 7.125 -1.453 . . . 1.0 . . . . . . . . . . . . A . 18 ASP N . . . . . . . . . c30642_6pv1 1 . 7 . 3365 . 1 1 18 ASP O O -1.376 7.015 0.345 . . . 1.0 . . . . . . . . . . . . A . 18 ASP O . . . . . . . . . c30642_6pv1 1 . 7 . 3366 . 1 1 18 ASP OD1 O -1.672 10.499 -0.295 . . . 1.0 . . . . . . . . . . . . A . 18 ASP OD1 . . . . . . . . . c30642_6pv1 1 . 7 . 3367 . 1 1 18 ASP OD2 O -2.512 9.859 1.621 . . . 1.0 . . . . . . . . . . . . A . 18 ASP OD2 . . . . . . . . . c30642_6pv1 1 . 7 . 3368 . 1 1 19 GLU C C -2.199 4.284 1.452 . . . 1.0 . . . . . . . . . . . . A . 19 GLU C . . . . . . . . . c30642_6pv1 1 . 7 . 3369 . 1 1 19 GLU CA C -2.954 5.472 2.030 . . . 1.0 . . . . . . . . . . . . A . 19 GLU CA . . . . . . . . . c30642_6pv1 1 . 7 . 3370 . 1 1 19 GLU CB C -4.132 4.992 2.876 . . . 1.0 . . . . . . . . . . . . A . 19 GLU CB . . . . . . . . . c30642_6pv1 1 . 7 . 3371 . 1 1 19 GLU CD C -3.154 5.520 5.129 . . . 1.0 . . . . . . . . . . . . A . 19 GLU CD . . . . . . . . . c30642_6pv1 1 . 7 . 3372 . 1 1 19 GLU CG C -3.730 4.450 4.231 . . . 1.0 . . . . . . . . . . . . A . 19 GLU CG . . . . . . . . . c30642_6pv1 1 . 7 . 3373 . 1 1 19 GLU H H -4.386 6.370 0.771 . . . 1.0 . . . . . . . . . . . . A . 19 GLU H . . . . . . . . . c30642_6pv1 1 . 7 . 3374 . 1 1 19 GLU HA H -2.285 6.051 2.645 . . . 1.0 . . . . . . . . . . . . A . 19 GLU HA . . . . . . . . . c30642_6pv1 1 . 7 . 3375 . 1 1 19 GLU HB2 H -4.809 5.815 3.032 . . . 1.0 . . . . . . . . . . . . A . 19 GLU HB2 . . . . . . . . . c30642_6pv1 1 . 7 . 3376 . 1 1 19 GLU HB3 H -4.649 4.212 2.340 . . . 1.0 . . . . . . . . . . . . A . 19 GLU HB3 . . . . . . . . . c30642_6pv1 1 . 7 . 3377 . 1 1 19 GLU HG2 H -4.602 4.031 4.709 . . . 1.0 . . . . . . . . . . . . A . 19 GLU HG2 . . . . . . . . . c30642_6pv1 1 . 7 . 3378 . 1 1 19 GLU HG3 H -2.988 3.678 4.089 . . . 1.0 . . . . . . . . . . . . A . 19 GLU HG3 . . . . . . . . . c30642_6pv1 1 . 7 . 3379 . 1 1 19 GLU N N -3.427 6.319 0.951 . . . 1.0 . . . . . . . . . . . . A . 19 GLU N . . . . . . . . . c30642_6pv1 1 . 7 . 3380 . 1 1 19 GLU O O -1.155 3.885 1.969 . . . 1.0 . . . . . . . . . . . . A . 19 GLU O . . . . . . . . . c30642_6pv1 1 . 7 . 3381 . 1 1 19 GLU OE1 O -3.932 6.346 5.648 . . . 1.0 . . . . . . . . . . . . A . 19 GLU OE1 . . . . . . . . . c30642_6pv1 1 . 7 . 3382 . 1 1 19 GLU OE2 O -1.924 5.539 5.324 . . . 1.0 . . . . . . . . . . . . A . 19 GLU OE2 . . . . . . . . . c30642_6pv1 1 . 7 . 3383 . 1 1 20 LEU C C -0.731 3.102 -0.897 . . . 1.0 . . . . . . . . . . . . A . 20 LEU C . . . . . . . . . c30642_6pv1 1 . 7 . 3384 . 1 1 20 LEU CA C -2.079 2.647 -0.345 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CA . . . . . . . . . c30642_6pv1 1 . 7 . 3385 . 1 1 20 LEU CB C -2.969 2.134 -1.480 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CB . . . . . . . . . c30642_6pv1 1 . 7 . 3386 . 1 1 20 LEU CD1 C -2.056 -0.205 -1.579 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CD1 . . . . . . . . . c30642_6pv1 1 . 7 . 3387 . 1 1 20 LEU CD2 C -3.226 0.756 -3.566 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CD2 . . . . . . . . . c30642_6pv1 1 . 7 . 3388 . 1 1 20 LEU CG C -2.334 1.062 -2.372 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CG . . . . . . . . . c30642_6pv1 1 . 7 . 3389 . 1 1 20 LEU H H -3.609 4.052 0.052 . . . 1.0 . . . . . . . . . . . . A . 20 LEU H . . . . . . . . . c30642_6pv1 1 . 7 . 3390 . 1 1 20 LEU HA H -1.907 1.844 0.358 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HA . . . . . . . . . c30642_6pv1 1 . 7 . 3391 . 1 1 20 LEU HB2 H -3.869 1.724 -1.043 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HB2 . . . . . . . . . c30642_6pv1 1 . 7 . 3392 . 1 1 20 LEU HB3 H -3.241 2.973 -2.101 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HB3 . . . . . . . . . c30642_6pv1 1 . 7 . 3393 . 1 1 20 LEU HD11 H -2.972 -0.555 -1.130 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD11 . . . . . . . . . c30642_6pv1 1 . 7 . 3394 . 1 1 20 LEU HD12 H -1.331 0.005 -0.806 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD12 . . . . . . . . . c30642_6pv1 1 . 7 . 3395 . 1 1 20 LEU HD13 H -1.668 -0.965 -2.240 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD13 . . . . . . . . . c30642_6pv1 1 . 7 . 3396 . 1 1 20 LEU HD21 H -2.731 0.046 -4.211 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD21 . . . . . . . . . c30642_6pv1 1 . 7 . 3397 . 1 1 20 LEU HD22 H -3.420 1.667 -4.114 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD22 . . . . . . . . . c30642_6pv1 1 . 7 . 3398 . 1 1 20 LEU HD23 H -4.158 0.338 -3.220 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD23 . . . . . . . . . c30642_6pv1 1 . 7 . 3399 . 1 1 20 LEU HG H -1.390 1.433 -2.745 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HG . . . . . . . . . c30642_6pv1 1 . 7 . 3400 . 1 1 20 LEU N N -2.736 3.730 0.370 . . . 1.0 . . . . . . . . . . . . A . 20 LEU N . . . . . . . . . c30642_6pv1 1 . 7 . 3401 . 1 1 20 LEU O O 0.271 2.425 -0.708 . . . 1.0 . . . . . . . . . . . . A . 20 LEU O . . . . . . . . . c30642_6pv1 1 . 7 . 3402 . 1 1 21 GLN C C 1.549 5.047 -1.003 . . . 1.0 . . . . . . . . . . . . A . 21 GLN C . . . . . . . . . c30642_6pv1 1 . 7 . 3403 . 1 1 21 GLN CA C 0.535 4.796 -2.115 . . . 1.0 . . . . . . . . . . . . A . 21 GLN CA . . . . . . . . . c30642_6pv1 1 . 7 . 3404 . 1 1 21 GLN CB C 0.269 6.091 -2.889 . . . 1.0 . . . . . . . . . . . . A . 21 GLN CB . . . . . . . . . c30642_6pv1 1 . 7 . 3405 . 1 1 21 GLN CD C 0.325 4.978 -5.155 . . . 1.0 . . . . . . . . . . . . A . 21 GLN CD . . . . . . . . . c30642_6pv1 1 . 7 . 3406 . 1 1 21 GLN CG C -0.452 5.875 -4.210 . . . 1.0 . . . . . . . . . . . . A . 21 GLN CG . . . . . . . . . c30642_6pv1 1 . 7 . 3407 . 1 1 21 GLN H H -1.553 4.744 -1.705 . . . 1.0 . . . . . . . . . . . . A . 21 GLN H . . . . . . . . . c30642_6pv1 1 . 7 . 3408 . 1 1 21 GLN HA H 0.940 4.062 -2.794 . . . 1.0 . . . . . . . . . . . . A . 21 GLN HA . . . . . . . . . c30642_6pv1 1 . 7 . 3409 . 1 1 21 GLN HB2 H -0.335 6.745 -2.277 . . . 1.0 . . . . . . . . . . . . A . 21 GLN HB2 . . . . . . . . . c30642_6pv1 1 . 7 . 3410 . 1 1 21 GLN HB3 H 1.214 6.574 -3.094 . . . 1.0 . . . . . . . . . . . . A . 21 GLN HB3 . . . . . . . . . c30642_6pv1 1 . 7 . 3411 . 1 1 21 GLN HE21 H 1.245 6.552 -5.941 . . . 1.0 . . . . . . . . . . . . A . 21 GLN HE21 . . . . . . . . . c30642_6pv1 1 . 7 . 3412 . 1 1 21 GLN HE22 H 1.682 5.014 -6.604 . . . 1.0 . . . . . . . . . . . . A . 21 GLN HE22 . . . . . . . . . c30642_6pv1 1 . 7 . 3413 . 1 1 21 GLN HG2 H -1.411 5.420 -4.012 . . . 1.0 . . . . . . . . . . . . A . 21 GLN HG2 . . . . . . . . . c30642_6pv1 1 . 7 . 3414 . 1 1 21 GLN HG3 H -0.600 6.833 -4.686 . . . 1.0 . . . . . . . . . . . . A . 21 GLN HG3 . . . . . . . . . c30642_6pv1 1 . 7 . 3415 . 1 1 21 GLN N N -0.711 4.252 -1.568 . . . 1.0 . . . . . . . . . . . . A . 21 GLN N . . . . . . . . . c30642_6pv1 1 . 7 . 3416 . 1 1 21 GLN NE2 N 1.167 5.575 -5.983 . . . 1.0 . . . . . . . . . . . . A . 21 GLN NE2 . . . . . . . . . c30642_6pv1 1 . 7 . 3417 . 1 1 21 GLN O O 2.721 4.672 -1.115 . . . 1.0 . . . . . . . . . . . . A . 21 GLN O . . . . . . . . . c30642_6pv1 1 . 7 . 3418 . 1 1 21 GLN OE1 O 0.167 3.758 -5.142 . . . 1.0 . . . . . . . . . . . . A . 21 GLN OE1 . . . . . . . . . c30642_6pv1 1 . 7 . 3419 . 1 1 22 ARG C C 2.525 4.597 1.712 . . . 1.0 . . . . . . . . . . . . A . 22 ARG C . . . . . . . . . c30642_6pv1 1 . 7 . 3420 . 1 1 22 ARG CA C 1.882 5.904 1.260 . . . 1.0 . . . . . . . . . . . . A . 22 ARG CA . . . . . . . . . c30642_6pv1 1 . 7 . 3421 . 1 1 22 ARG CB C 0.987 6.471 2.364 . . . 1.0 . . . . . . . . . . . . A . 22 ARG CB . . . . . . . . . c30642_6pv1 1 . 7 . 3422 . 1 1 22 ARG CD C 0.672 7.185 4.732 . . . 1.0 . . . . . . . . . . . . A . 22 ARG CD . . . . . . . . . c30642_6pv1 1 . 7 . 3423 . 1 1 22 ARG CG C 1.677 6.709 3.696 . . . 1.0 . . . . . . . . . . . . A . 22 ARG CG . . . . . . . . . c30642_6pv1 1 . 7 . 3424 . 1 1 22 ARG CZ C 0.545 7.512 7.168 . . . 1.0 . . . . . . . . . . . . A . 22 ARG CZ . . . . . . . . . c30642_6pv1 1 . 7 . 3425 . 1 1 22 ARG H H 0.151 5.995 0.057 . . . 1.0 . . . . . . . . . . . . A . 22 ARG H . . . . . . . . . c30642_6pv1 1 . 7 . 3426 . 1 1 22 ARG HA H 2.652 6.618 1.019 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HA . . . . . . . . . c30642_6pv1 1 . 7 . 3427 . 1 1 22 ARG HB2 H 0.581 7.411 2.027 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HB2 . . . . . . . . . c30642_6pv1 1 . 7 . 3428 . 1 1 22 ARG HB3 H 0.173 5.784 2.530 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HB3 . . . . . . . . . c30642_6pv1 1 . 7 . 3429 . 1 1 22 ARG HD2 H 0.270 8.133 4.410 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HD2 . . . . . . . . . c30642_6pv1 1 . 7 . 3430 . 1 1 22 ARG HD3 H -0.130 6.463 4.795 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HD3 . . . . . . . . . c30642_6pv1 1 . 7 . 3431 . 1 1 22 ARG HE H 2.243 7.366 6.118 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HE . . . . . . . . . c30642_6pv1 1 . 7 . 3432 . 1 1 22 ARG HG2 H 2.128 5.786 4.033 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HG2 . . . . . . . . . c30642_6pv1 1 . 7 . 3433 . 1 1 22 ARG HG3 H 2.440 7.463 3.570 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HG3 . . . . . . . . . c30642_6pv1 1 . 7 . 3434 . 1 1 22 ARG HH11 H -1.321 7.560 7.962 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HH11 . . . . . . . . . c30642_6pv1 1 . 7 . 3435 . 1 1 22 ARG HH12 H -1.249 7.239 6.256 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HH12 . . . . . . . . . c30642_6pv1 1 . 7 . 3436 . 1 1 22 ARG HH21 H 0.623 7.832 9.167 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HH21 . . . . . . . . . c30642_6pv1 1 . 7 . 3437 . 1 1 22 ARG HH22 H 2.160 7.741 8.368 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HH22 . . . . . . . . . c30642_6pv1 1 . 7 . 3438 . 1 1 22 ARG N N 1.077 5.674 0.068 . . . 1.0 . . . . . . . . . . . . A . 22 ARG N . . . . . . . . . c30642_6pv1 1 . 7 . 3439 . 1 1 22 ARG NE N 1.261 7.353 6.056 . . . 1.0 . . . . . . . . . . . . A . 22 ARG NE . . . . . . . . . c30642_6pv1 1 . 7 . 3440 . 1 1 22 ARG NH1 N -0.781 7.437 7.125 . . . 1.0 . . . . . . . . . . . . A . 22 ARG NH1 . . . . . . . . . c30642_6pv1 1 . 7 . 3441 . 1 1 22 ARG NH2 N 1.156 7.711 8.326 . . . 1.0 . . . . . . . . . . . . A . 22 ARG NH2 . . . . . . . . . c30642_6pv1 1 . 7 . 3442 . 1 1 22 ARG O O 3.745 4.508 1.860 . . . 1.0 . . . . . . . . . . . . A . 22 ARG O . . . . . . . . . c30642_6pv1 1 . 7 . 3443 . 1 1 23 HIS C C 3.167 1.715 1.272 . . . 1.0 . . . . . . . . . . . . A . 23 HIS C . . . . . . . . . c30642_6pv1 1 . 7 . 3444 . 1 1 23 HIS CA C 2.148 2.258 2.273 . . . 1.0 . . . . . . . . . . . . A . 23 HIS CA . . . . . . . . . c30642_6pv1 1 . 7 . 3445 . 1 1 23 HIS CB C 0.953 1.301 2.396 . . . 1.0 . . . . . . . . . . . . A . 23 HIS CB . . . . . . . . . c30642_6pv1 1 . 7 . 3446 . 1 1 23 HIS CD2 C 1.532 -0.995 1.404 . . . 1.0 . . . . . . . . . . . . A . 23 HIS CD2 . . . . . . . . . c30642_6pv1 1 . 7 . 3447 . 1 1 23 HIS CE1 C 2.006 -2.099 3.218 . . . 1.0 . . . . . . . . . . . . A . 23 HIS CE1 . . . . . . . . . c30642_6pv1 1 . 7 . 3448 . 1 1 23 HIS CG C 1.341 -0.142 2.434 . . . 1.0 . . . . . . . . . . . . A . 23 HIS CG . . . . . . . . . c30642_6pv1 1 . 7 . 3449 . 1 1 23 HIS H H 0.730 3.725 1.735 . . . 1.0 . . . . . . . . . . . . A . 23 HIS H . . . . . . . . . c30642_6pv1 1 . 7 . 3450 . 1 1 23 HIS HA H 2.626 2.348 3.235 . . . 1.0 . . . . . . . . . . . . A . 23 HIS HA . . . . . . . . . c30642_6pv1 1 . 7 . 3451 . 1 1 23 HIS HB2 H 0.410 1.524 3.301 . . . 1.0 . . . . . . . . . . . . A . 23 HIS HB2 . . . . . . . . . c30642_6pv1 1 . 7 . 3452 . 1 1 23 HIS HB3 H 0.298 1.444 1.548 . . . 1.0 . . . . . . . . . . . . A . 23 HIS HB3 . . . . . . . . . c30642_6pv1 1 . 7 . 3453 . 1 1 23 HIS HD1 H 1.591 -0.517 4.513 . . . 1.0 . . . . . . . . . . . . A . 23 HIS HD1 . . . . . . . . . c30642_6pv1 1 . 7 . 3454 . 1 1 23 HIS HD2 H 1.360 -0.785 0.359 . . . 1.0 . . . . . . . . . . . . A . 23 HIS HD2 . . . . . . . . . c30642_6pv1 1 . 7 . 3455 . 1 1 23 HIS HE1 H 2.289 -2.895 3.889 . . . 1.0 . . . . . . . . . . . . A . 23 HIS HE1 . . . . . . . . . c30642_6pv1 1 . 7 . 3456 . 1 1 23 HIS N N 1.690 3.581 1.880 . . . 1.0 . . . . . . . . . . . . A . 23 HIS N . . . . . . . . . c30642_6pv1 1 . 7 . 3457 . 1 1 23 HIS ND1 N 1.637 -0.858 3.592 . . . 1.0 . . . . . . . . . . . . A . 23 HIS ND1 . . . . . . . . . c30642_6pv1 1 . 7 . 3458 . 1 1 23 HIS NE2 N 1.949 -2.196 1.913 . . . 1.0 . . . . . . . . . . . . A . 23 HIS NE2 . . . . . . . . . c30642_6pv1 1 . 7 . 3459 . 1 1 23 HIS O O 4.202 1.187 1.664 . . . 1.0 . . . . . . . . . . . . A . 23 HIS O . . . . . . . . . c30642_6pv1 1 . 7 . 3460 . 1 1 24 LYS C C 5.152 1.921 -0.935 . . . 1.0 . . . . . . . . . . . . A . 24 LYS C . . . . . . . . . c30642_6pv1 1 . 7 . 3461 . 1 1 24 LYS CA C 3.745 1.353 -1.074 . . . 1.0 . . . . . . . . . . . . A . 24 LYS CA . . . . . . . . . c30642_6pv1 1 . 7 . 3462 . 1 1 24 LYS CB C 3.192 1.710 -2.456 . . . 1.0 . . . . . . . . . . . . A . 24 LYS CB . . . . . . . . . c30642_6pv1 1 . 7 . 3463 . 1 1 24 LYS CD C 2.178 -0.489 -3.158 . . . 1.0 . . . . . . . . . . . . A . 24 LYS CD . . . . . . . . . c30642_6pv1 1 . 7 . 3464 . 1 1 24 LYS CE C 0.941 -1.150 -3.744 . . . 1.0 . . . . . . . . . . . . A . 24 LYS CE . . . . . . . . . c30642_6pv1 1 . 7 . 3465 . 1 1 24 LYS CG C 1.916 0.973 -2.840 . . . 1.0 . . . . . . . . . . . . A . 24 LYS CG . . . . . . . . . c30642_6pv1 1 . 7 . 3466 . 1 1 24 LYS H H 2.026 2.299 -0.262 . . . 1.0 . . . . . . . . . . . . A . 24 LYS H . . . . . . . . . c30642_6pv1 1 . 7 . 3467 . 1 1 24 LYS HA H 3.795 0.282 -0.982 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HA . . . . . . . . . c30642_6pv1 1 . 7 . 3468 . 1 1 24 LYS HB2 H 2.988 2.770 -2.482 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HB2 . . . . . . . . . c30642_6pv1 1 . 7 . 3469 . 1 1 24 LYS HB3 H 3.946 1.483 -3.194 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HB3 . . . . . . . . . c30642_6pv1 1 . 7 . 3470 . 1 1 24 LYS HD2 H 2.986 -0.556 -3.870 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HD2 . . . . . . . . . c30642_6pv1 1 . 7 . 3471 . 1 1 24 LYS HD3 H 2.451 -1.003 -2.249 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HD3 . . . . . . . . . c30642_6pv1 1 . 7 . 3472 . 1 1 24 LYS HE2 H 0.144 -1.096 -3.020 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HE2 . . . . . . . . . c30642_6pv1 1 . 7 . 3473 . 1 1 24 LYS HE3 H 0.652 -0.616 -4.636 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HE3 . . . . . . . . . c30642_6pv1 1 . 7 . 3474 . 1 1 24 LYS HG2 H 1.220 1.027 -2.017 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HG2 . . . . . . . . . c30642_6pv1 1 . 7 . 3475 . 1 1 24 LYS HG3 H 1.485 1.449 -3.707 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HG3 . . . . . . . . . c30642_6pv1 1 . 7 . 3476 . 1 1 24 LYS HZ1 H 0.319 -2.994 -4.500 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HZ1 . . . . . . . . . c30642_6pv1 1 . 7 . 3477 . 1 1 24 LYS HZ2 H 1.438 -3.113 -3.237 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HZ2 . . . . . . . . . c30642_6pv1 1 . 7 . 3478 . 1 1 24 LYS HZ3 H 1.952 -2.652 -4.782 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HZ3 . . . . . . . . . c30642_6pv1 1 . 7 . 3479 . 1 1 24 LYS N N 2.867 1.851 -0.015 . . . 1.0 . . . . . . . . . . . . A . 24 LYS N . . . . . . . . . c30642_6pv1 1 . 7 . 3480 . 1 1 24 LYS NZ N 1.180 -2.576 -4.088 . . . 1.0 . . . . . . . . . . . . A . 24 LYS NZ . . . . . . . . . c30642_6pv1 1 . 7 . 3481 . 1 1 24 LYS O O 6.136 1.267 -1.302 . . . 1.0 . . . . . . . . . . . . A . 24 LYS O . . . . . . . . . c30642_6pv1 1 . 7 . 3482 . 1 1 25 ARG C C 7.453 3.020 0.728 . . . 1.0 . . . . . . . . . . . . A . 25 ARG C . . . . . . . . . c30642_6pv1 1 . 7 . 3483 . 1 1 25 ARG CA C 6.535 3.784 -0.227 . . . 1.0 . . . . . . . . . . . . A . 25 ARG CA . . . . . . . . . c30642_6pv1 1 . 7 . 3484 . 1 1 25 ARG CB C 6.349 5.226 0.242 . . . 1.0 . . . . . . . . . . . . A . 25 ARG CB . . . . . . . . . c30642_6pv1 1 . 7 . 3485 . 1 1 25 ARG CD C 5.474 7.517 -0.317 . . . 1.0 . . . . . . . . . . . . A . 25 ARG CD . . . . . . . . . c30642_6pv1 1 . 7 . 3486 . 1 1 25 ARG CG C 5.483 6.048 -0.698 . . . 1.0 . . . . . . . . . . . . A . 25 ARG CG . . . . . . . . . c30642_6pv1 1 . 7 . 3487 . 1 1 25 ARG CZ C 7.037 9.423 -0.267 . . . 1.0 . . . . . . . . . . . . A . 25 ARG CZ . . . . . . . . . c30642_6pv1 1 . 7 . 3488 . 1 1 25 ARG H H 4.428 3.584 -0.072 . . . 1.0 . . . . . . . . . . . . A . 25 ARG H . . . . . . . . . c30642_6pv1 1 . 7 . 3489 . 1 1 25 ARG HA H 7.001 3.800 -1.199 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HA . . . . . . . . . c30642_6pv1 1 . 7 . 3490 . 1 1 25 ARG HB2 H 5.881 5.219 1.216 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HB2 . . . . . . . . . c30642_6pv1 1 . 7 . 3491 . 1 1 25 ARG HB3 H 7.316 5.701 0.317 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HB3 . . . . . . . . . c30642_6pv1 1 . 7 . 3492 . 1 1 25 ARG HD2 H 4.717 8.022 -0.898 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HD2 . . . . . . . . . c30642_6pv1 1 . 7 . 3493 . 1 1 25 ARG HD3 H 5.237 7.599 0.733 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HD3 . . . . . . . . . c30642_6pv1 1 . 7 . 3494 . 1 1 25 ARG HE H 7.468 7.606 -0.980 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HE . . . . . . . . . c30642_6pv1 1 . 7 . 3495 . 1 1 25 ARG HG2 H 5.869 5.950 -1.701 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HG2 . . . . . . . . . c30642_6pv1 1 . 7 . 3496 . 1 1 25 ARG HG3 H 4.472 5.671 -0.663 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HG3 . . . . . . . . . c30642_6pv1 1 . 7 . 3497 . 1 1 25 ARG HH11 H 6.312 11.145 0.519 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HH11 . . . . . . . . . c30642_6pv1 1 . 7 . 3498 . 1 1 25 ARG HH12 H 5.197 9.816 0.496 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HH12 . . . . . . . . . c30642_6pv1 1 . 7 . 3499 . 1 1 25 ARG HH21 H 8.934 9.355 -0.981 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HH21 . . . . . . . . . c30642_6pv1 1 . 7 . 3500 . 1 1 25 ARG HH22 H 8.440 10.886 -0.328 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HH22 . . . . . . . . . c30642_6pv1 1 . 7 . 3501 . 1 1 25 ARG N N 5.249 3.124 -0.379 . . . 1.0 . . . . . . . . . . . . A . 25 ARG N . . . . . . . . . c30642_6pv1 1 . 7 . 3502 . 1 1 25 ARG NE N 6.766 8.155 -0.563 . . . 1.0 . . . . . . . . . . . . A . 25 ARG NE . . . . . . . . . c30642_6pv1 1 . 7 . 3503 . 1 1 25 ARG NH1 N 6.110 10.189 0.296 . . . 1.0 . . . . . . . . . . . . A . 25 ARG NH1 . . . . . . . . . c30642_6pv1 1 . 7 . 3504 . 1 1 25 ARG NH2 N 8.231 9.929 -0.547 . . . 1.0 . . . . . . . . . . . . A . 25 ARG NH2 . . . . . . . . . c30642_6pv1 1 . 7 . 3505 . 1 1 25 ARG O O 8.654 3.282 0.779 . . . 1.0 . . . . . . . . . . . . A . 25 ARG O . . . . . . . . . c30642_6pv1 1 . 7 . 3506 . 1 1 26 THR C C 8.390 0.133 1.507 . . . 1.0 . . . . . . . . . . . . A . 26 THR C . . . . . . . . . c30642_6pv1 1 . 7 . 3507 . 1 1 26 THR CA C 7.711 1.223 2.333 . . . 1.0 . . . . . . . . . . . . A . 26 THR CA . . . . . . . . . c30642_6pv1 1 . 7 . 3508 . 1 1 26 THR CB C 6.891 0.571 3.468 . . . 1.0 . . . . . . . . . . . . A . 26 THR CB . . . . . . . . . c30642_6pv1 1 . 7 . 3509 . 1 1 26 THR CG2 C 6.259 1.632 4.358 . . . 1.0 . . . . . . . . . . . . A . 26 THR CG2 . . . . . . . . . c30642_6pv1 1 . 7 . 3510 . 1 1 26 THR H H 5.924 1.939 1.443 . . . 1.0 . . . . . . . . . . . . A . 26 THR H . . . . . . . . . c30642_6pv1 1 . 7 . 3511 . 1 1 26 THR HA H 8.474 1.843 2.779 . . . 1.0 . . . . . . . . . . . . A . 26 THR HA . . . . . . . . . c30642_6pv1 1 . 7 . 3512 . 1 1 26 THR HB H 7.557 -0.030 4.070 . . . 1.0 . . . . . . . . . . . . A . 26 THR HB . . . . . . . . . c30642_6pv1 1 . 7 . 3513 . 1 1 26 THR HG1 H 5.118 0.271 2.641 . . . 1.0 . . . . . . . . . . . . A . 26 THR HG1 . . . . . . . . . c30642_6pv1 1 . 7 . 3514 . 1 1 26 THR HG21 H 5.587 2.240 3.771 . . . 1.0 . . . . . . . . . . . . A . 26 THR HG21 . . . . . . . . . c30642_6pv1 1 . 7 . 3515 . 1 1 26 THR HG22 H 7.033 2.256 4.780 . . . 1.0 . . . . . . . . . . . . A . 26 THR HG22 . . . . . . . . . c30642_6pv1 1 . 7 . 3516 . 1 1 26 THR HG23 H 5.709 1.152 5.154 . . . 1.0 . . . . . . . . . . . . A . 26 THR HG23 . . . . . . . . . c30642_6pv1 1 . 7 . 3517 . 1 1 26 THR N N 6.897 2.071 1.473 . . . 1.0 . . . . . . . . . . . . A . 26 THR N . . . . . . . . . c30642_6pv1 1 . 7 . 3518 . 1 1 26 THR O O 9.516 -0.269 1.797 . . . 1.0 . . . . . . . . . . . . A . 26 THR O . . . . . . . . . c30642_6pv1 1 . 7 . 3519 . 1 1 26 THR OG1 O 5.869 -0.273 2.925 . . . 1.0 . . . . . . . . . . . . A . 26 THR OG1 . . . . . . . . . c30642_6pv1 1 . 7 . 3520 . 1 1 27 HIS C C 9.316 -0.681 -1.331 . . . 1.0 . . . . . . . . . . . . A . 27 HIS C . . . . . . . . . c30642_6pv1 1 . 7 . 3521 . 1 1 27 HIS CA C 8.270 -1.326 -0.441 . . . 1.0 . . . . . . . . . . . . A . 27 HIS CA . . . . . . . . . c30642_6pv1 1 . 7 . 3522 . 1 1 27 HIS CB C 7.194 -1.957 -1.333 . . . 1.0 . . . . . . . . . . . . A . 27 HIS CB . . . . . . . . . c30642_6pv1 1 . 7 . 3523 . 1 1 27 HIS CD2 C 4.877 -2.513 -0.345 . . . 1.0 . . . . . . . . . . . . A . 27 HIS CD2 . . . . . . . . . c30642_6pv1 1 . 7 . 3524 . 1 1 27 HIS CE1 C 5.222 -4.569 0.297 . . . 1.0 . . . . . . . . . . . . A . 27 HIS CE1 . . . . . . . . . c30642_6pv1 1 . 7 . 3525 . 1 1 27 HIS CG C 6.171 -2.794 -0.627 . . . 1.0 . . . . . . . . . . . . A . 27 HIS CG . . . . . . . . . c30642_6pv1 1 . 7 . 3526 . 1 1 27 HIS H H 6.815 0.041 0.272 . . . 1.0 . . . . . . . . . . . . A . 27 HIS H . . . . . . . . . c30642_6pv1 1 . 7 . 3527 . 1 1 27 HIS HA H 8.735 -2.094 0.159 . . . 1.0 . . . . . . . . . . . . A . 27 HIS HA . . . . . . . . . c30642_6pv1 1 . 7 . 3528 . 1 1 27 HIS HB2 H 6.662 -1.168 -1.843 . . . 1.0 . . . . . . . . . . . . A . 27 HIS HB2 . . . . . . . . . c30642_6pv1 1 . 7 . 3529 . 1 1 27 HIS HB3 H 7.677 -2.583 -2.070 . . . 1.0 . . . . . . . . . . . . A . 27 HIS HB3 . . . . . . . . . c30642_6pv1 1 . 7 . 3530 . 1 1 27 HIS HD1 H 7.226 -4.610 -0.279 . . . 1.0 . . . . . . . . . . . . A . 27 HIS HD1 . . . . . . . . . c30642_6pv1 1 . 7 . 3531 . 1 1 27 HIS HD2 H 4.367 -1.584 -0.537 . . . 1.0 . . . . . . . . . . . . A . 27 HIS HD2 . . . . . . . . . c30642_6pv1 1 . 7 . 3532 . 1 1 27 HIS HE1 H 5.065 -5.562 0.692 . . . 1.0 . . . . . . . . . . . . A . 27 HIS HE1 . . . . . . . . . c30642_6pv1 1 . 7 . 3533 . 1 1 27 HIS N N 7.709 -0.322 0.457 . . . 1.0 . . . . . . . . . . . . A . 27 HIS N . . . . . . . . . c30642_6pv1 1 . 7 . 3534 . 1 1 27 HIS ND1 N 6.383 -4.105 -0.204 . . . 1.0 . . . . . . . . . . . . A . 27 HIS ND1 . . . . . . . . . c30642_6pv1 1 . 7 . 3535 . 1 1 27 HIS NE2 N 4.310 -3.633 0.226 . . . 1.0 . . . . . . . . . . . . A . 27 HIS NE2 . . . . . . . . . c30642_6pv1 1 . 7 . 3536 . 1 1 27 HIS O O 10.351 -1.274 -1.637 . . . 1.0 . . . . . . . . . . . . A . 27 HIS O . . . . . . . . . c30642_6pv1 1 . 7 . 3537 . 1 1 28 THR C C 11.062 1.947 -1.850 . . . 1.0 . . . . . . . . . . . . A . 28 THR C . . . . . . . . . c30642_6pv1 1 . 7 . 3538 . 1 1 28 THR CA C 9.928 1.278 -2.624 . . . 1.0 . . . . . . . . . . . . A . 28 THR CA . . . . . . . . . c30642_6pv1 1 . 7 . 3539 . 1 1 28 THR CB C 9.155 2.332 -3.437 . . . 1.0 . . . . . . . . . . . . A . 28 THR CB . . . . . . . . . c30642_6pv1 1 . 7 . 3540 . 1 1 28 THR CG2 C 8.325 1.674 -4.531 . . . 1.0 . . . . . . . . . . . . A . 28 THR CG2 . . . . . . . . . c30642_6pv1 1 . 7 . 3541 . 1 1 28 THR H H 8.193 0.972 -1.459 . . . 1.0 . . . . . . . . . . . . A . 28 THR H . . . . . . . . . c30642_6pv1 1 . 7 . 3542 . 1 1 28 THR HA H 10.356 0.569 -3.317 . . . 1.0 . . . . . . . . . . . . A . 28 THR HA . . . . . . . . . c30642_6pv1 1 . 7 . 3543 . 1 1 28 THR HB H 9.866 3.001 -3.897 . . . 1.0 . . . . . . . . . . . . A . 28 THR HB . . . . . . . . . c30642_6pv1 1 . 7 . 3544 . 1 1 28 THR HG1 H 7.396 3.076 -2.927 . . . 1.0 . . . . . . . . . . . . A . 28 THR HG1 . . . . . . . . . c30642_6pv1 1 . 7 . 3545 . 1 1 28 THR HG21 H 8.976 1.125 -5.196 . . . 1.0 . . . . . . . . . . . . A . 28 THR HG21 . . . . . . . . . c30642_6pv1 1 . 7 . 3546 . 1 1 28 THR HG22 H 7.798 2.434 -5.089 . . . 1.0 . . . . . . . . . . . . A . 28 THR HG22 . . . . . . . . . c30642_6pv1 1 . 7 . 3547 . 1 1 28 THR HG23 H 7.612 0.996 -4.085 . . . 1.0 . . . . . . . . . . . . A . 28 THR HG23 . . . . . . . . . c30642_6pv1 1 . 7 . 3548 . 1 1 28 THR N N 9.035 0.547 -1.745 . . . 1.0 . . . . . . . . . . . . A . 28 THR N . . . . . . . . . c30642_6pv1 1 . 7 . 3549 . 1 1 28 THR O O 11.874 2.666 -2.428 . . . 1.0 . . . . . . . . . . . . A . 28 THR O . . . . . . . . . c30642_6pv1 1 . 7 . 3550 . 1 1 28 THR OG1 O 8.296 3.083 -2.570 . . . 1.0 . . . . . . . . . . . . A . 28 THR OG1 . . . . . . . . . c30642_6pv1 1 . 7 . 3551 . 1 1 29 GLY C C 13.532 1.680 -0.087 . . . 1.0 . . . . . . . . . . . . A . 29 GLY C . . . . . . . . . c30642_6pv1 1 . 7 . 3552 . 1 1 29 GLY CA C 12.177 2.255 0.277 . . . 1.0 . . . . . . . . . . . . A . 29 GLY CA . . . . . . . . . c30642_6pv1 1 . 7 . 3553 . 1 1 29 GLY H H 10.427 1.138 -0.134 . . . 1.0 . . . . . . . . . . . . A . 29 GLY H . . . . . . . . . c30642_6pv1 1 . 7 . 3554 . 1 1 29 GLY HA2 H 12.202 3.326 0.139 . . . 1.0 . . . . . . . . . . . . A . 29 GLY HA2 . . . . . . . . . c30642_6pv1 1 . 7 . 3555 . 1 1 29 GLY HA3 H 11.971 2.038 1.313 . . . 1.0 . . . . . . . . . . . . A . 29 GLY HA3 . . . . . . . . . c30642_6pv1 1 . 7 . 3556 . 1 1 29 GLY N N 11.116 1.701 -0.544 . . . 1.0 . . . . . . . . . . . . A . 29 GLY N . . . . . . . . . c30642_6pv1 1 . 7 . 3557 . 1 1 29 GLY O O 14.492 2.419 -0.304 . . . 1.0 . . . . . . . . . . . . A . 29 GLY O . . . . . . . . . c30642_6pv1 1 . 7 . 3558 . 1 1 30 GLU C C 14.647 -0.908 -1.950 . . . 1.0 . . . . . . . . . . . . A . 30 GLU C . . . . . . . . . c30642_6pv1 1 . 7 . 3559 . 1 1 30 GLU CA C 14.827 -0.324 -0.560 . . . 1.0 . . . . . . . . . . . . A . 30 GLU CA . . . . . . . . . c30642_6pv1 1 . 7 . 3560 . 1 1 30 GLU CB C 15.198 -1.455 0.411 . . . 1.0 . . . . . . . . . . . . A . 30 GLU CB . . . . . . . . . c30642_6pv1 1 . 7 . 3561 . 1 1 30 GLU CD C 14.513 -0.416 2.617 . . . 1.0 . . . . . . . . . . . . A . 30 GLU CD . . . . . . . . . c30642_6pv1 1 . 7 . 3562 . 1 1 30 GLU CG C 15.640 -0.999 1.795 . . . 1.0 . . . . . . . . . . . . A . 30 GLU CG . . . . . . . . . c30642_6pv1 1 . 7 . 3563 . 1 1 30 GLU H H 12.821 -0.175 0.091 . . . 1.0 . . . . . . . . . . . . A . 30 GLU H . . . . . . . . . c30642_6pv1 1 . 7 . 3564 . 1 1 30 GLU HA H 15.625 0.402 -0.583 . . . 1.0 . . . . . . . . . . . . A . 30 GLU HA . . . . . . . . . c30642_6pv1 1 . 7 . 3565 . 1 1 30 GLU HB2 H 14.341 -2.099 0.532 . . . 1.0 . . . . . . . . . . . . A . 30 GLU HB2 . . . . . . . . . c30642_6pv1 1 . 7 . 3566 . 1 1 30 GLU HB3 H 16.001 -2.028 -0.025 . . . 1.0 . . . . . . . . . . . . A . 30 GLU HB3 . . . . . . . . . c30642_6pv1 1 . 7 . 3567 . 1 1 30 GLU HG2 H 16.044 -1.848 2.325 . . . 1.0 . . . . . . . . . . . . A . 30 GLU HG2 . . . . . . . . . c30642_6pv1 1 . 7 . 3568 . 1 1 30 GLU HG3 H 16.408 -0.249 1.683 . . . 1.0 . . . . . . . . . . . . A . 30 GLU HG3 . . . . . . . . . c30642_6pv1 1 . 7 . 3569 . 1 1 30 GLU N N 13.608 0.358 -0.147 . . . 1.0 . . . . . . . . . . . . A . 30 GLU N . . . . . . . . . c30642_6pv1 1 . 7 . 3570 . 1 1 30 GLU O O 15.478 -0.711 -2.837 . . . 1.0 . . . . . . . . . . . . A . 30 GLU O . . . . . . . . . c30642_6pv1 1 . 7 . 3571 . 1 1 30 GLU OE1 O 14.574 0.788 2.949 . . . 1.0 . . . . . . . . . . . . A . 30 GLU OE1 . . . . . . . . . c30642_6pv1 1 . 7 . 3572 . 1 1 30 GLU OE2 O 13.557 -1.153 2.927 . . . 1.0 . . . . . . . . . . . . A . 30 GLU OE2 . . . . . . . . . c30642_6pv1 1 . 7 . 3573 . 1 1 31 LYS C C 12.698 -1.352 -4.419 . . . 1.0 . . . . . . . . . . . . A . 31 LYS C . . . . . . . . . c30642_6pv1 1 . 7 . 3574 . 1 1 31 LYS CA C 13.281 -2.311 -3.386 . . . 1.0 . . . . . . . . . . . . A . 31 LYS CA . . . . . . . . . c30642_6pv1 1 . 7 . 3575 . 1 1 31 LYS CB C 12.329 -3.490 -3.144 . . . 1.0 . . . . . . . . . . . . A . 31 LYS CB . . . . . . . . . c30642_6pv1 1 . 7 . 3576 . 1 1 31 LYS CD C 13.306 -4.962 -4.934 . . . 1.0 . . . . . . . . . . . . A . 31 LYS CD . . . . . . . . . c30642_6pv1 1 . 7 . 3577 . 1 1 31 LYS CE C 13.015 -5.809 -6.163 . . . 1.0 . . . . . . . . . . . . A . 31 LYS CE . . . . . . . . . c30642_6pv1 1 . 7 . 3578 . 1 1 31 LYS CG C 12.042 -4.320 -4.387 . . . 1.0 . . . . . . . . . . . . A . 31 LYS CG . . . . . . . . . c30642_6pv1 1 . 7 . 3579 . 1 1 31 LYS H H 12.887 -1.680 -1.411 . . . 1.0 . . . . . . . . . . . . A . 31 LYS H . . . . . . . . . c30642_6pv1 1 . 7 . 3580 . 1 1 31 LYS HA H 14.221 -2.689 -3.757 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HA . . . . . . . . . c30642_6pv1 1 . 7 . 3581 . 1 1 31 LYS HB2 H 12.764 -4.141 -2.399 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HB2 . . . . . . . . . c30642_6pv1 1 . 7 . 3582 . 1 1 31 LYS HB3 H 11.392 -3.108 -2.769 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HB3 . . . . . . . . . c30642_6pv1 1 . 7 . 3583 . 1 1 31 LYS HD2 H 14.005 -4.186 -5.202 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HD2 . . . . . . . . . c30642_6pv1 1 . 7 . 3584 . 1 1 31 LYS HD3 H 13.738 -5.589 -4.168 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HD3 . . . . . . . . . c30642_6pv1 1 . 7 . 3585 . 1 1 31 LYS HE2 H 13.932 -6.277 -6.485 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HE2 . . . . . . . . . c30642_6pv1 1 . 7 . 3586 . 1 1 31 LYS HE3 H 12.297 -6.572 -5.895 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HE3 . . . . . . . . . c30642_6pv1 1 . 7 . 3587 . 1 1 31 LYS HG2 H 11.336 -5.096 -4.134 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HG2 . . . . . . . . . c30642_6pv1 1 . 7 . 3588 . 1 1 31 LYS HG3 H 11.619 -3.678 -5.144 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HG3 . . . . . . . . . c30642_6pv1 1 . 7 . 3589 . 1 1 31 LYS HZ1 H 11.577 -4.547 -6.997 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HZ1 . . . . . . . . . c30642_6pv1 1 . 7 . 3590 . 1 1 31 LYS HZ2 H 12.280 -5.611 -8.104 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HZ2 . . . . . . . . . c30642_6pv1 1 . 7 . 3591 . 1 1 31 LYS HZ3 H 13.146 -4.266 -7.561 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HZ3 . . . . . . . . . c30642_6pv1 1 . 7 . 3592 . 1 1 31 LYS N N 13.545 -1.621 -2.135 . . . 1.0 . . . . . . . . . . . . A . 31 LYS N . . . . . . . . . c30642_6pv1 1 . 7 . 3593 . 1 1 31 LYS NZ N 12.466 -5.003 -7.283 . . . 1.0 . . . . . . . . . . . . A . 31 LYS NZ . . . . . . . . . c30642_6pv1 1 . 7 . 3594 . 1 1 31 LYS O O 13.382 -0.934 -5.351 . . . 1.0 . . . . . . . . . . . . A . 31 LYS O . . . . . . . . . c30642_6pv1 1 . 7 . 3595 . 1 1 32 NH2 HN1 H 10.941 -1.392 -3.497 . . . 1.0 . . . . . . . . . . . . A . 32 NH2 HN1 . . . . . . . . . c30642_6pv1 1 . 7 . 3596 . 1 1 32 NH2 HN2 H 11.019 -0.432 -4.938 . . . 1.0 . . . . . . . . . . . . A . 32 NH2 HN2 . . . . . . . . . c30642_6pv1 1 . 7 . 3597 . 1 1 32 NH2 N N 11.428 -1.023 -4.268 . . . 1.0 . . . . . . . . . . . . A . 32 NH2 N . . . . . . . . . c30642_6pv1 1 . 7 . 3598 . 2 2 1 ZN ZN Zn 2.407 -3.781 0.807 . . . 1.0 . . . . . . . . . . . . A . 101 ZN ZN . . . . . . . . . c30642_6pv1 1 . 8 . 3599 . 1 1 1 ARG C C -12.425 1.403 -2.833 . . . 1.0 . . . . . . . . . . . . A . 1 ARG C . . . . . . . . . c30642_6pv1 1 . 8 . 3600 . 1 1 1 ARG CA C -13.456 1.845 -3.868 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CA . . . . . . . . . c30642_6pv1 1 . 8 . 3601 . 1 1 1 ARG CB C -12.755 2.278 -5.162 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CB . . . . . . . . . c30642_6pv1 1 . 8 . 3602 . 1 1 1 ARG CD C -11.278 3.949 -6.328 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CD . . . . . . . . . c30642_6pv1 1 . 8 . 3603 . 1 1 1 ARG CG C -11.922 3.541 -5.016 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CG . . . . . . . . . c30642_6pv1 1 . 8 . 3604 . 1 1 1 ARG CZ C -9.896 5.803 -7.187 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CZ . . . . . . . . . c30642_6pv1 1 . 8 . 3605 . 1 1 1 ARG H1 H -14.955 3.278 -4.059 . . . 1.0 . . . . . . . . . . . . A . 1 ARG H1 . . . . . . . . . c30642_6pv1 1 . 8 . 3606 . 1 1 1 ARG H2 H -13.678 3.750 -3.053 . . . 1.0 . . . . . . . . . . . . A . 1 ARG H2 . . . . . . . . . c30642_6pv1 1 . 8 . 3607 . 1 1 1 ARG H3 H -14.814 2.630 -2.504 . . . 1.0 . . . . . . . . . . . . A . 1 ARG H3 . . . . . . . . . c30642_6pv1 1 . 8 . 3608 . 1 1 1 ARG HA H -14.109 1.013 -4.082 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HA . . . . . . . . . c30642_6pv1 1 . 8 . 3609 . 1 1 1 ARG HB2 H -12.102 1.481 -5.489 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HB2 . . . . . . . . . c30642_6pv1 1 . 8 . 3610 . 1 1 1 ARG HB3 H -13.503 2.453 -5.922 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HB3 . . . . . . . . . c30642_6pv1 1 . 8 . 3611 . 1 1 1 ARG HD2 H -10.607 3.165 -6.646 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HD2 . . . . . . . . . c30642_6pv1 1 . 8 . 3612 . 1 1 1 ARG HD3 H -12.052 4.085 -7.069 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HD3 . . . . . . . . . c30642_6pv1 1 . 8 . 3613 . 1 1 1 ARG HE H -10.487 5.597 -5.291 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HE . . . . . . . . . c30642_6pv1 1 . 8 . 3614 . 1 1 1 ARG HG2 H -12.560 4.342 -4.678 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HG2 . . . . . . . . . c30642_6pv1 1 . 8 . 3615 . 1 1 1 ARG HG3 H -11.146 3.364 -4.284 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HG3 . . . . . . . . . c30642_6pv1 1 . 8 . 3616 . 1 1 1 ARG HH11 H -9.453 5.764 -9.162 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH11 . . . . . . . . . c30642_6pv1 1 . 8 . 3617 . 1 1 1 ARG HH12 H -10.437 4.451 -8.596 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH12 . . . . . . . . . c30642_6pv1 1 . 8 . 3618 . 1 1 1 ARG HH21 H -8.756 7.393 -7.708 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH21 . . . . . . . . . c30642_6pv1 1 . 8 . 3619 . 1 1 1 ARG HH22 H -9.209 7.320 -6.031 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH22 . . . . . . . . . c30642_6pv1 1 . 8 . 3620 . 1 1 1 ARG N N -14.283 2.953 -3.336 . . . 1.0 . . . . . . . . . . . . A . 1 ARG N . . . . . . . . . c30642_6pv1 1 . 8 . 3621 . 1 1 1 ARG NE N -10.527 5.193 -6.188 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NE . . . . . . . . . c30642_6pv1 1 . 8 . 3622 . 1 1 1 ARG NH1 N -9.931 5.298 -8.413 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NH1 . . . . . . . . . c30642_6pv1 1 . 8 . 3623 . 1 1 1 ARG NH2 N -9.234 6.928 -6.957 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NH2 . . . . . . . . . c30642_6pv1 1 . 8 . 3624 . 1 1 1 ARG O O -11.700 2.230 -2.282 . . . 1.0 . . . . . . . . . . . . A . 1 ARG O . . . . . . . . . c30642_6pv1 1 . 8 . 3625 . 1 1 2 PRO C C -10.024 -0.657 -2.297 . . . 1.0 . . . . . . . . . . . . A . 2 PRO C . . . . . . . . . c30642_6pv1 1 . 8 . 3626 . 1 1 2 PRO CA C -11.370 -0.442 -1.611 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CA . . . . . . . . . c30642_6pv1 1 . 8 . 3627 . 1 1 2 PRO CB C -11.977 -1.773 -1.185 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CB . . . . . . . . . c30642_6pv1 1 . 8 . 3628 . 1 1 2 PRO CD C -13.289 -0.948 -3.016 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CD . . . . . . . . . c30642_6pv1 1 . 8 . 3629 . 1 1 2 PRO CG C -12.781 -2.209 -2.359 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CG . . . . . . . . . c30642_6pv1 1 . 8 . 3630 . 1 1 2 PRO HA H -11.237 0.191 -0.746 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HA . . . . . . . . . c30642_6pv1 1 . 8 . 3631 . 1 1 2 PRO HB2 H -11.190 -2.476 -0.958 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HB2 . . . . . . . . . c30642_6pv1 1 . 8 . 3632 . 1 1 2 PRO HB3 H -12.600 -1.627 -0.315 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HB3 . . . . . . . . . c30642_6pv1 1 . 8 . 3633 . 1 1 2 PRO HD2 H -13.235 -1.035 -4.089 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HD2 . . . . . . . . . c30642_6pv1 1 . 8 . 3634 . 1 1 2 PRO HD3 H -14.303 -0.746 -2.703 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HD3 . . . . . . . . . c30642_6pv1 1 . 8 . 3635 . 1 1 2 PRO HG2 H -12.154 -2.762 -3.045 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HG2 . . . . . . . . . c30642_6pv1 1 . 8 . 3636 . 1 1 2 PRO HG3 H -13.607 -2.821 -2.030 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HG3 . . . . . . . . . c30642_6pv1 1 . 8 . 3637 . 1 1 2 PRO N N -12.370 0.099 -2.524 . . . 1.0 . . . . . . . . . . . . A . 2 PRO N . . . . . . . . . c30642_6pv1 1 . 8 . 3638 . 1 1 2 PRO O O -9.954 -0.883 -3.507 . . . 1.0 . . . . . . . . . . . . A . 2 PRO O . . . . . . . . . c30642_6pv1 1 . 8 . 3639 . 1 1 3 PHE C C -6.942 -1.911 -1.315 . . . 1.0 . . . . . . . . . . . . A . 3 PHE C . . . . . . . . . c30642_6pv1 1 . 8 . 3640 . 1 1 3 PHE CA C -7.613 -0.754 -2.029 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CA . . . . . . . . . c30642_6pv1 1 . 8 . 3641 . 1 1 3 PHE CB C -6.806 0.531 -1.823 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CB . . . . . . . . . c30642_6pv1 1 . 8 . 3642 . 1 1 3 PHE CD1 C -6.872 1.984 -3.863 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD1 . . . . . . . . . c30642_6pv1 1 . 8 . 3643 . 1 1 3 PHE CD2 C -8.325 2.511 -2.053 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD2 . . . . . . . . . c30642_6pv1 1 . 8 . 3644 . 1 1 3 PHE CE1 C -7.371 3.053 -4.579 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE1 . . . . . . . . . c30642_6pv1 1 . 8 . 3645 . 1 1 3 PHE CE2 C -8.828 3.582 -2.761 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE2 . . . . . . . . . c30642_6pv1 1 . 8 . 3646 . 1 1 3 PHE CG C -7.344 1.701 -2.594 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CG . . . . . . . . . c30642_6pv1 1 . 8 . 3647 . 1 1 3 PHE CZ C -8.350 3.853 -4.027 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CZ . . . . . . . . . c30642_6pv1 1 . 8 . 3648 . 1 1 3 PHE H H -9.084 -0.413 -0.558 . . . 1.0 . . . . . . . . . . . . A . 3 PHE H . . . . . . . . . c30642_6pv1 1 . 8 . 3649 . 1 1 3 PHE HA H -7.673 -0.972 -3.084 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HA . . . . . . . . . c30642_6pv1 1 . 8 . 3650 . 1 1 3 PHE HB2 H -6.818 0.792 -0.775 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB2 . . . . . . . . . c30642_6pv1 1 . 8 . 3651 . 1 1 3 PHE HB3 H -5.790 0.365 -2.135 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB3 . . . . . . . . . c30642_6pv1 1 . 8 . 3652 . 1 1 3 PHE HD1 H -6.108 1.358 -4.294 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD1 . . . . . . . . . c30642_6pv1 1 . 8 . 3653 . 1 1 3 PHE HD2 H -8.698 2.301 -1.061 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD2 . . . . . . . . . c30642_6pv1 1 . 8 . 3654 . 1 1 3 PHE HE1 H -6.994 3.264 -5.568 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE1 . . . . . . . . . c30642_6pv1 1 . 8 . 3655 . 1 1 3 PHE HE2 H -9.594 4.205 -2.326 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE2 . . . . . . . . . c30642_6pv1 1 . 8 . 3656 . 1 1 3 PHE HZ H -8.742 4.690 -4.585 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HZ . . . . . . . . . c30642_6pv1 1 . 8 . 3657 . 1 1 3 PHE N N -8.961 -0.582 -1.519 . . . 1.0 . . . . . . . . . . . . A . 3 PHE N . . . . . . . . . c30642_6pv1 1 . 8 . 3658 . 1 1 3 PHE O O -7.148 -2.103 -0.121 . . . 1.0 . . . . . . . . . . . . A . 3 PHE O . . . . . . . . . c30642_6pv1 1 . 8 . 3659 . 1 1 4 NLE C C -4.084 -3.985 -2.014 . . . 1.0 . . . . . . . . . . . . A . 4 NLE C . . . . . . . . . c30642_6pv1 1 . 8 . 3660 . 1 1 4 NLE CA C -5.470 -3.812 -1.420 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CA . . . . . . . . . c30642_6pv1 1 . 8 . 3661 . 1 1 4 NLE CB C -6.280 -5.098 -1.587 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CB . . . . . . . . . c30642_6pv1 1 . 8 . 3662 . 1 1 4 NLE CD C -6.534 -7.539 -1.051 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CD . . . . . . . . . c30642_6pv1 1 . 8 . 3663 . 1 1 4 NLE CE C -5.924 -8.702 -0.300 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CE . . . . . . . . . c30642_6pv1 1 . 8 . 3664 . 1 1 4 NLE CG C -5.685 -6.294 -0.860 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CG . . . . . . . . . c30642_6pv1 1 . 8 . 3665 . 1 1 4 NLE H H -6.032 -2.509 -2.989 . . . 1.0 . . . . . . . . . . . . A . 4 NLE H . . . . . . . . . c30642_6pv1 1 . 8 . 3666 . 1 1 4 NLE HA H -5.368 -3.600 -0.366 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HA . . . . . . . . . c30642_6pv1 1 . 8 . 3667 . 1 1 4 NLE HB2 H -6.336 -5.335 -2.638 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HB2 . . . . . . . . . c30642_6pv1 1 . 8 . 3668 . 1 1 4 NLE HB3 H -7.277 -4.932 -1.210 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HB3 . . . . . . . . . c30642_6pv1 1 . 8 . 3669 . 1 1 4 NLE HD2 H -6.580 -7.787 -2.100 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HD2 . . . . . . . . . c30642_6pv1 1 . 8 . 3670 . 1 1 4 NLE HD3 H -7.528 -7.359 -0.667 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HD3 . . . . . . . . . c30642_6pv1 1 . 8 . 3671 . 1 1 4 NLE HE1 H -4.935 -8.899 -0.684 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HE1 . . . . . . . . . c30642_6pv1 1 . 8 . 3672 . 1 1 4 NLE HE2 H -6.542 -9.578 -0.431 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HE2 . . . . . . . . . c30642_6pv1 1 . 8 . 3673 . 1 1 4 NLE HE3 H -5.861 -8.458 0.750 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HE3 . . . . . . . . . c30642_6pv1 1 . 8 . 3674 . 1 1 4 NLE HG2 H -5.624 -6.071 0.195 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HG2 . . . . . . . . . c30642_6pv1 1 . 8 . 3675 . 1 1 4 NLE HG3 H -4.694 -6.484 -1.246 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HG3 . . . . . . . . . c30642_6pv1 1 . 8 . 3676 . 1 1 4 NLE N N -6.155 -2.690 -2.031 . . . 1.0 . . . . . . . . . . . . A . 4 NLE N . . . . . . . . . c30642_6pv1 1 . 8 . 3677 . 1 1 4 NLE O O -3.924 -4.114 -3.228 . . . 1.0 . . . . . . . . . . . . A . 4 NLE O . . . . . . . . . c30642_6pv1 1 . 8 . 3678 . 1 1 5 CYS C C -1.438 -5.669 -1.704 . . . 1.0 . . . . . . . . . . . . A . 5 CYS C . . . . . . . . . c30642_6pv1 1 . 8 . 3679 . 1 1 5 CYS CA C -1.716 -4.181 -1.550 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CA . . . . . . . . . c30642_6pv1 1 . 8 . 3680 . 1 1 5 CYS CB C -0.767 -3.575 -0.521 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CB . . . . . . . . . c30642_6pv1 1 . 8 . 3681 . 1 1 5 CYS H H -3.290 -3.814 -0.197 . . . 1.0 . . . . . . . . . . . . A . 5 CYS H . . . . . . . . . c30642_6pv1 1 . 8 . 3682 . 1 1 5 CYS HA H -1.565 -3.694 -2.499 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HA . . . . . . . . . c30642_6pv1 1 . 8 . 3683 . 1 1 5 CYS HB2 H -0.941 -2.512 -0.457 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB2 . . . . . . . . . c30642_6pv1 1 . 8 . 3684 . 1 1 5 CYS HB3 H -0.961 -4.024 0.440 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB3 . . . . . . . . . c30642_6pv1 1 . 8 . 3685 . 1 1 5 CYS N N -3.090 -3.970 -1.147 . . . 1.0 . . . . . . . . . . . . A . 5 CYS N . . . . . . . . . c30642_6pv1 1 . 8 . 3686 . 1 1 5 CYS O O -1.129 -6.361 -0.728 . . . 1.0 . . . . . . . . . . . . A . 5 CYS O . . . . . . . . . c30642_6pv1 1 . 8 . 3687 . 1 1 5 CYS SG S 0.979 -3.824 -0.900 . . . 1.0 . . . . . . . . . . . . A . 5 CYS SG . . . . . . . . . c30642_6pv1 1 . 8 . 3688 . 1 1 6 THR C C 0.155 -7.849 -3.471 . . . 1.0 . . . . . . . . . . . . A . 6 THR C . . . . . . . . . c30642_6pv1 1 . 8 . 3689 . 1 1 6 THR CA C -1.321 -7.562 -3.210 . . . 1.0 . . . . . . . . . . . . A . 6 THR CA . . . . . . . . . c30642_6pv1 1 . 8 . 3690 . 1 1 6 THR CB C -2.170 -8.016 -4.412 . . . 1.0 . . . . . . . . . . . . A . 6 THR CB . . . . . . . . . c30642_6pv1 1 . 8 . 3691 . 1 1 6 THR CG2 C -3.618 -8.234 -3.997 . . . 1.0 . . . . . . . . . . . . A . 6 THR CG2 . . . . . . . . . c30642_6pv1 1 . 8 . 3692 . 1 1 6 THR H H -1.773 -5.553 -3.667 . . . 1.0 . . . . . . . . . . . . A . 6 THR H . . . . . . . . . c30642_6pv1 1 . 8 . 3693 . 1 1 6 THR HA H -1.635 -8.127 -2.344 . . . 1.0 . . . . . . . . . . . . A . 6 THR HA . . . . . . . . . c30642_6pv1 1 . 8 . 3694 . 1 1 6 THR HB H -1.772 -8.950 -4.784 . . . 1.0 . . . . . . . . . . . . A . 6 THR HB . . . . . . . . . c30642_6pv1 1 . 8 . 3695 . 1 1 6 THR HG1 H -1.314 -7.179 -5.984 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG1 . . . . . . . . . c30642_6pv1 1 . 8 . 3696 . 1 1 6 THR HG21 H -3.666 -9.016 -3.254 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG21 . . . . . . . . . c30642_6pv1 1 . 8 . 3697 . 1 1 6 THR HG22 H -4.201 -8.519 -4.860 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG22 . . . . . . . . . c30642_6pv1 1 . 8 . 3698 . 1 1 6 THR HG23 H -4.013 -7.319 -3.582 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG23 . . . . . . . . . c30642_6pv1 1 . 8 . 3699 . 1 1 6 THR N N -1.541 -6.156 -2.927 . . . 1.0 . . . . . . . . . . . . A . 6 THR N . . . . . . . . . c30642_6pv1 1 . 8 . 3700 . 1 1 6 THR O O 0.505 -8.624 -4.362 . . . 1.0 . . . . . . . . . . . . A . 6 THR O . . . . . . . . . c30642_6pv1 1 . 8 . 3701 . 1 1 6 THR OG1 O -2.107 -7.032 -5.456 . . . 1.0 . . . . . . . . . . . . A . 6 THR OG1 . . . . . . . . . c30642_6pv1 1 . 8 . 3702 . 1 1 7 TRP C C 2.714 -8.852 -2.230 . . . 1.0 . . . . . . . . . . . . A . 7 TRP C . . . . . . . . . c30642_6pv1 1 . 8 . 3703 . 1 1 7 TRP CA C 2.444 -7.453 -2.756 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CA . . . . . . . . . c30642_6pv1 1 . 8 . 3704 . 1 1 7 TRP CB C 3.203 -6.414 -1.924 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CB . . . . . . . . . c30642_6pv1 1 . 8 . 3705 . 1 1 7 TRP CD1 C 5.512 -7.339 -1.301 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD1 . . . . . . . . . c30642_6pv1 1 . 8 . 3706 . 1 1 7 TRP CD2 C 5.547 -5.752 -2.875 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD2 . . . . . . . . . c30642_6pv1 1 . 8 . 3707 . 1 1 7 TRP CE2 C 6.868 -6.169 -2.630 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE2 . . . . . . . . . c30642_6pv1 1 . 8 . 3708 . 1 1 7 TRP CE3 C 5.320 -4.757 -3.828 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE3 . . . . . . . . . c30642_6pv1 1 . 8 . 3709 . 1 1 7 TRP CG C 4.695 -6.517 -2.021 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CG . . . . . . . . . c30642_6pv1 1 . 8 . 3710 . 1 1 7 TRP CH2 C 7.704 -4.648 -4.231 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CH2 . . . . . . . . . c30642_6pv1 1 . 8 . 3711 . 1 1 7 TRP CZ2 C 7.957 -5.622 -3.304 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ2 . . . . . . . . . c30642_6pv1 1 . 8 . 3712 . 1 1 7 TRP CZ3 C 6.402 -4.215 -4.495 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ3 . . . . . . . . . c30642_6pv1 1 . 8 . 3713 . 1 1 7 TRP H H 0.682 -6.530 -2.069 . . . 1.0 . . . . . . . . . . . . A . 7 TRP H . . . . . . . . . c30642_6pv1 1 . 8 . 3714 . 1 1 7 TRP HA H 2.760 -7.391 -3.785 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HA . . . . . . . . . c30642_6pv1 1 . 8 . 3715 . 1 1 7 TRP HB2 H 2.920 -5.428 -2.253 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB2 . . . . . . . . . c30642_6pv1 1 . 8 . 3716 . 1 1 7 TRP HB3 H 2.931 -6.530 -0.889 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB3 . . . . . . . . . c30642_6pv1 1 . 8 . 3717 . 1 1 7 TRP HD1 H 5.163 -8.043 -0.561 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HD1 . . . . . . . . . c30642_6pv1 1 . 8 . 3718 . 1 1 7 TRP HE1 H 7.595 -7.615 -1.294 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE1 . . . . . . . . . c30642_6pv1 1 . 8 . 3719 . 1 1 7 TRP HE3 H 4.320 -4.410 -4.043 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE3 . . . . . . . . . c30642_6pv1 1 . 8 . 3720 . 1 1 7 TRP HH2 H 8.518 -4.196 -4.777 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HH2 . . . . . . . . . c30642_6pv1 1 . 8 . 3721 . 1 1 7 TRP HZ2 H 8.968 -5.946 -3.111 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ2 . . . . . . . . . c30642_6pv1 1 . 8 . 3722 . 1 1 7 TRP HZ3 H 6.246 -3.444 -5.234 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ3 . . . . . . . . . c30642_6pv1 1 . 8 . 3723 . 1 1 7 TRP N N 1.018 -7.197 -2.698 . . . 1.0 . . . . . . . . . . . . A . 7 TRP N . . . . . . . . . c30642_6pv1 1 . 8 . 3724 . 1 1 7 TRP NE1 N 6.820 -7.141 -1.665 . . . 1.0 . . . . . . . . . . . . A . 7 TRP NE1 . . . . . . . . . c30642_6pv1 1 . 8 . 3725 . 1 1 7 TRP O O 2.027 -9.308 -1.313 . . . 1.0 . . . . . . . . . . . . A . 7 TRP O . . . . . . . . . c30642_6pv1 1 . 8 . 3726 . 1 1 8 ABA C C 4.305 -10.996 -0.949 . . . 1.0 . . . . . . . . . . . . A . 8 AIB C . . . . . . . . . c30642_6pv1 1 . 8 . 3727 . 1 1 8 ABA CA C 4.069 -10.891 -2.466 . . . 1.0 . . . . . . . . . . . . A . 8 AIB CA . . . . . . . . . c30642_6pv1 1 . 8 . 3728 . 1 1 8 ABA H H 4.181 -9.077 -3.556 . . . 1.0 . . . . . . . . . . . . A . 8 AIB H . . . . . . . . . c30642_6pv1 1 . 8 . 3729 . 1 1 8 ABA N N 3.691 -9.520 -2.831 . . . 1.0 . . . . . . . . . . . . A . 8 AIB N . . . . . . . . . c30642_6pv1 1 . 8 . 3730 . 1 1 8 ABA O O 5.386 -10.673 -0.459 . . . 1.0 . . . . . . . . . . . . A . 8 AIB O . . . . . . . . . c30642_6pv1 1 . 8 . 3731 . 1 1 9 GLY C C 3.029 -10.408 2.014 . . . 1.0 . . . . . . . . . . . . A . 9 GLY C . . . . . . . . . c30642_6pv1 1 . 8 . 3732 . 1 1 9 GLY CA C 3.430 -11.630 1.210 . . . 1.0 . . . . . . . . . . . . A . 9 GLY CA . . . . . . . . . c30642_6pv1 1 . 8 . 3733 . 1 1 9 GLY H H 2.430 -11.622 -0.649 . . . 1.0 . . . . . . . . . . . . A . 9 GLY H . . . . . . . . . c30642_6pv1 1 . 8 . 3734 . 1 1 9 GLY HA2 H 2.811 -12.462 1.509 . . . 1.0 . . . . . . . . . . . . A . 9 GLY HA2 . . . . . . . . . c30642_6pv1 1 . 8 . 3735 . 1 1 9 GLY HA3 H 4.460 -11.867 1.426 . . . 1.0 . . . . . . . . . . . . A . 9 GLY HA3 . . . . . . . . . c30642_6pv1 1 . 8 . 3736 . 1 1 9 GLY N N 3.289 -11.436 -0.216 . . . 1.0 . . . . . . . . . . . . A . 9 GLY N . . . . . . . . . c30642_6pv1 1 . 8 . 3737 . 1 1 9 GLY O O 3.538 -10.192 3.114 . . . 1.0 . . . . . . . . . . . . A . 9 GLY O . . . . . . . . . c30642_6pv1 1 . 8 . 3738 . 1 1 10 CYS C C 0.157 -8.539 2.486 . . . 1.0 . . . . . . . . . . . . A . 10 CYS C . . . . . . . . . c30642_6pv1 1 . 8 . 3739 . 1 1 10 CYS CA C 1.657 -8.428 2.197 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CA . . . . . . . . . c30642_6pv1 1 . 8 . 3740 . 1 1 10 CYS CB C 1.976 -7.152 1.423 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CB . . . . . . . . . c30642_6pv1 1 . 8 . 3741 . 1 1 10 CYS H H 1.809 -9.764 0.560 . . . 1.0 . . . . . . . . . . . . A . 10 CYS H . . . . . . . . . c30642_6pv1 1 . 8 . 3742 . 1 1 10 CYS HA H 2.182 -8.399 3.138 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HA . . . . . . . . . c30642_6pv1 1 . 8 . 3743 . 1 1 10 CYS HB2 H 3.024 -7.148 1.173 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB2 . . . . . . . . . c30642_6pv1 1 . 8 . 3744 . 1 1 10 CYS HB3 H 1.394 -7.133 0.516 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB3 . . . . . . . . . c30642_6pv1 1 . 8 . 3745 . 1 1 10 CYS N N 2.136 -9.592 1.472 . . . 1.0 . . . . . . . . . . . . A . 10 CYS N . . . . . . . . . c30642_6pv1 1 . 8 . 3746 . 1 1 10 CYS O O -0.235 -8.968 3.574 . . . 1.0 . . . . . . . . . . . . A . 10 CYS O . . . . . . . . . c30642_6pv1 1 . 8 . 3747 . 1 1 10 CYS SG S 1.625 -5.639 2.341 . . . 1.0 . . . . . . . . . . . . A . 10 CYS SG . . . . . . . . . c30642_6pv1 1 . 8 . 3748 . 1 1 11 GLY C C -2.629 -7.205 2.687 . . . 1.0 . . . . . . . . . . . . A . 11 GLY C . . . . . . . . . c30642_6pv1 1 . 8 . 3749 . 1 1 11 GLY CA C -2.115 -8.245 1.708 . . . 1.0 . . . . . . . . . . . . A . 11 GLY CA . . . . . . . . . c30642_6pv1 1 . 8 . 3750 . 1 1 11 GLY H H -0.318 -7.856 0.660 . . . 1.0 . . . . . . . . . . . . A . 11 GLY H . . . . . . . . . c30642_6pv1 1 . 8 . 3751 . 1 1 11 GLY HA2 H -2.599 -8.094 0.755 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA2 . . . . . . . . . c30642_6pv1 1 . 8 . 3752 . 1 1 11 GLY HA3 H -2.368 -9.226 2.077 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA3 . . . . . . . . . c30642_6pv1 1 . 8 . 3753 . 1 1 11 GLY N N -0.677 -8.173 1.516 . . . 1.0 . . . . . . . . . . . . A . 11 GLY N . . . . . . . . . c30642_6pv1 1 . 8 . 3754 . 1 1 11 GLY O O -3.484 -7.495 3.525 . . . 1.0 . . . . . . . . . . . . A . 11 GLY O . . . . . . . . . c30642_6pv1 1 . 8 . 3755 . 1 1 12 LYS C C -3.680 -4.157 2.720 . . . 1.0 . . . . . . . . . . . . A . 12 LYS C . . . . . . . . . c30642_6pv1 1 . 8 . 3756 . 1 1 12 LYS CA C -2.550 -4.895 3.432 . . . 1.0 . . . . . . . . . . . . A . 12 LYS CA . . . . . . . . . c30642_6pv1 1 . 8 . 3757 . 1 1 12 LYS CB C -1.390 -3.937 3.717 . . . 1.0 . . . . . . . . . . . . A . 12 LYS CB . . . . . . . . . c30642_6pv1 1 . 8 . 3758 . 1 1 12 LYS CD C -1.100 -4.271 6.188 . . . 1.0 . . . . . . . . . . . . A . 12 LYS CD . . . . . . . . . c30642_6pv1 1 . 8 . 3759 . 1 1 12 LYS CE C -1.048 -3.596 7.548 . . . 1.0 . . . . . . . . . . . . A . 12 LYS CE . . . . . . . . . c30642_6pv1 1 . 8 . 3760 . 1 1 12 LYS CG C -1.446 -3.282 5.085 . . . 1.0 . . . . . . . . . . . . A . 12 LYS CG . . . . . . . . . c30642_6pv1 1 . 8 . 3761 . 1 1 12 LYS H H -1.379 -5.841 1.950 . . . 1.0 . . . . . . . . . . . . A . 12 LYS H . . . . . . . . . c30642_6pv1 1 . 8 . 3762 . 1 1 12 LYS HA H -2.921 -5.302 4.360 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HA . . . . . . . . . c30642_6pv1 1 . 8 . 3763 . 1 1 12 LYS HB2 H -0.463 -4.484 3.643 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HB2 . . . . . . . . . c30642_6pv1 1 . 8 . 3764 . 1 1 12 LYS HB3 H -1.397 -3.157 2.971 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HB3 . . . . . . . . . c30642_6pv1 1 . 8 . 3765 . 1 1 12 LYS HD2 H -1.849 -5.047 6.212 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HD2 . . . . . . . . . c30642_6pv1 1 . 8 . 3766 . 1 1 12 LYS HD3 H -0.134 -4.707 5.975 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HD3 . . . . . . . . . c30642_6pv1 1 . 8 . 3767 . 1 1 12 LYS HE2 H -0.691 -4.309 8.276 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HE2 . . . . . . . . . c30642_6pv1 1 . 8 . 3768 . 1 1 12 LYS HE3 H -0.360 -2.765 7.494 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HE3 . . . . . . . . . c30642_6pv1 1 . 8 . 3769 . 1 1 12 LYS HG2 H -0.740 -2.466 5.112 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HG2 . . . . . . . . . c30642_6pv1 1 . 8 . 3770 . 1 1 12 LYS HG3 H -2.443 -2.903 5.252 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HG3 . . . . . . . . . c30642_6pv1 1 . 8 . 3771 . 1 1 12 LYS HZ1 H -2.295 -2.574 8.873 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HZ1 . . . . . . . . . c30642_6pv1 1 . 8 . 3772 . 1 1 12 LYS HZ2 H -3.034 -3.890 8.113 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HZ2 . . . . . . . . . c30642_6pv1 1 . 8 . 3773 . 1 1 12 LYS HZ3 H -2.773 -2.459 7.255 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HZ3 . . . . . . . . . c30642_6pv1 1 . 8 . 3774 . 1 1 12 LYS N N -2.095 -5.997 2.596 . . . 1.0 . . . . . . . . . . . . A . 12 LYS N . . . . . . . . . c30642_6pv1 1 . 8 . 3775 . 1 1 12 LYS NZ N -2.379 -3.095 7.976 . . . 1.0 . . . . . . . . . . . . A . 12 LYS NZ . . . . . . . . . c30642_6pv1 1 . 8 . 3776 . 1 1 12 LYS O O -3.528 -3.753 1.570 . . . 1.0 . . . . . . . . . . . . A . 12 LYS O . . . . . . . . . c30642_6pv1 1 . 8 . 3777 . 1 1 13 ARG C C -6.299 -2.025 3.277 . . . 1.0 . . . . . . . . . . . . A . 13 ARG C . . . . . . . . . c30642_6pv1 1 . 8 . 3778 . 1 1 13 ARG CA C -5.991 -3.423 2.745 . . . 1.0 . . . . . . . . . . . . A . 13 ARG CA . . . . . . . . . c30642_6pv1 1 . 8 . 3779 . 1 1 13 ARG CB C -7.194 -4.346 2.943 . . . 1.0 . . . . . . . . . . . . A . 13 ARG CB . . . . . . . . . c30642_6pv1 1 . 8 . 3780 . 1 1 13 ARG CD C -9.483 -5.039 2.168 . . . 1.0 . . . . . . . . . . . . A . 13 ARG CD . . . . . . . . . c30642_6pv1 1 . 8 . 3781 . 1 1 13 ARG CG C -8.341 -4.055 1.989 . . . 1.0 . . . . . . . . . . . . A . 13 ARG CG . . . . . . . . . c30642_6pv1 1 . 8 . 3782 . 1 1 13 ARG CZ C -11.787 -5.008 1.271 . . . 1.0 . . . . . . . . . . . . A . 13 ARG CZ . . . . . . . . . c30642_6pv1 1 . 8 . 3783 . 1 1 13 ARG H H -4.850 -4.235 4.338 . . . 1.0 . . . . . . . . . . . . A . 13 ARG H . . . . . . . . . c30642_6pv1 1 . 8 . 3784 . 1 1 13 ARG HA H -5.780 -3.347 1.688 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HA . . . . . . . . . c30642_6pv1 1 . 8 . 3785 . 1 1 13 ARG HB2 H -6.880 -5.368 2.792 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HB2 . . . . . . . . . c30642_6pv1 1 . 8 . 3786 . 1 1 13 ARG HB3 H -7.557 -4.235 3.953 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HB3 . . . . . . . . . c30642_6pv1 1 . 8 . 3787 . 1 1 13 ARG HD2 H -9.081 -6.041 2.174 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HD2 . . . . . . . . . c30642_6pv1 1 . 8 . 3788 . 1 1 13 ARG HD3 H -9.966 -4.840 3.113 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HD3 . . . . . . . . . c30642_6pv1 1 . 8 . 3789 . 1 1 13 ARG HE H -10.125 -4.791 0.177 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HE . . . . . . . . . c30642_6pv1 1 . 8 . 3790 . 1 1 13 ARG HG2 H -8.707 -3.057 2.179 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HG2 . . . . . . . . . c30642_6pv1 1 . 8 . 3791 . 1 1 13 ARG HG3 H -7.976 -4.119 0.975 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HG3 . . . . . . . . . c30642_6pv1 1 . 8 . 3792 . 1 1 13 ARG HH11 H -13.283 -5.243 2.615 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HH11 . . . . . . . . . c30642_6pv1 1 . 8 . 3793 . 1 1 13 ARG HH12 H -11.683 -5.261 3.280 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HH12 . . . . . . . . . c30642_6pv1 1 . 8 . 3794 . 1 1 13 ARG HH21 H -12.230 -4.797 -0.697 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HH21 . . . . . . . . . c30642_6pv1 1 . 8 . 3795 . 1 1 13 ARG HH22 H -13.597 -4.976 0.354 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HH22 . . . . . . . . . c30642_6pv1 1 . 8 . 3796 . 1 1 13 ARG N N -4.810 -3.987 3.390 . . . 1.0 . . . . . . . . . . . . A . 13 ARG N . . . . . . . . . c30642_6pv1 1 . 8 . 3797 . 1 1 13 ARG NE N -10.470 -4.925 1.092 . . . 1.0 . . . . . . . . . . . . A . 13 ARG NE . . . . . . . . . c30642_6pv1 1 . 8 . 3798 . 1 1 13 ARG NH1 N -12.291 -5.183 2.486 . . . 1.0 . . . . . . . . . . . . A . 13 ARG NH1 . . . . . . . . . c30642_6pv1 1 . 8 . 3799 . 1 1 13 ARG NH2 N -12.603 -4.922 0.227 . . . 1.0 . . . . . . . . . . . . A . 13 ARG NH2 . . . . . . . . . c30642_6pv1 1 . 8 . 3800 . 1 1 13 ARG O O -6.242 -1.778 4.483 . . . 1.0 . . . . . . . . . . . . A . 13 ARG O . . . . . . . . . c30642_6pv1 1 . 8 . 3801 . 1 1 14 PHE C C -8.181 0.740 2.018 . . . 1.0 . . . . . . . . . . . . A . 14 PHE C . . . . . . . . . c30642_6pv1 1 . 8 . 3802 . 1 1 14 PHE CA C -6.898 0.273 2.698 . . . 1.0 . . . . . . . . . . . . A . 14 PHE CA . . . . . . . . . c30642_6pv1 1 . 8 . 3803 . 1 1 14 PHE CB C -5.729 1.152 2.244 . . . 1.0 . . . . . . . . . . . . A . 14 PHE CB . . . . . . . . . c30642_6pv1 1 . 8 . 3804 . 1 1 14 PHE CD1 C -3.972 0.995 4.015 . . . 1.0 . . . . . . . . . . . . A . 14 PHE CD1 . . . . . . . . . c30642_6pv1 1 . 8 . 3805 . 1 1 14 PHE CD2 C -3.586 -0.096 1.932 . . . 1.0 . . . . . . . . . . . . A . 14 PHE CD2 . . . . . . . . . c30642_6pv1 1 . 8 . 3806 . 1 1 14 PHE CE1 C -2.748 0.557 4.476 . . . 1.0 . . . . . . . . . . . . A . 14 PHE CE1 . . . . . . . . . c30642_6pv1 1 . 8 . 3807 . 1 1 14 PHE CE2 C -2.363 -0.538 2.385 . . . 1.0 . . . . . . . . . . . . A . 14 PHE CE2 . . . . . . . . . c30642_6pv1 1 . 8 . 3808 . 1 1 14 PHE CG C -4.401 0.675 2.741 . . . 1.0 . . . . . . . . . . . . A . 14 PHE CG . . . . . . . . . c30642_6pv1 1 . 8 . 3809 . 1 1 14 PHE CZ C -1.944 -0.211 3.659 . . . 1.0 . . . . . . . . . . . . A . 14 PHE CZ . . . . . . . . . c30642_6pv1 1 . 8 . 3810 . 1 1 14 PHE H H -6.711 -1.401 1.425 . . . 1.0 . . . . . . . . . . . . A . 14 PHE H . . . . . . . . . c30642_6pv1 1 . 8 . 3811 . 1 1 14 PHE HA H -7.009 0.352 3.767 . . . 1.0 . . . . . . . . . . . . A . 14 PHE HA . . . . . . . . . c30642_6pv1 1 . 8 . 3812 . 1 1 14 PHE HB2 H -5.693 1.169 1.165 . . . 1.0 . . . . . . . . . . . . A . 14 PHE HB2 . . . . . . . . . c30642_6pv1 1 . 8 . 3813 . 1 1 14 PHE HB3 H -5.878 2.156 2.608 . . . 1.0 . . . . . . . . . . . . A . 14 PHE HB3 . . . . . . . . . c30642_6pv1 1 . 8 . 3814 . 1 1 14 PHE HD1 H -4.604 1.595 4.652 . . . 1.0 . . . . . . . . . . . . A . 14 PHE HD1 . . . . . . . . . c30642_6pv1 1 . 8 . 3815 . 1 1 14 PHE HD2 H -3.918 -0.354 0.938 . . . 1.0 . . . . . . . . . . . . A . 14 PHE HD2 . . . . . . . . . c30642_6pv1 1 . 8 . 3816 . 1 1 14 PHE HE1 H -2.422 0.812 5.473 . . . 1.0 . . . . . . . . . . . . A . 14 PHE HE1 . . . . . . . . . c30642_6pv1 1 . 8 . 3817 . 1 1 14 PHE HE2 H -1.733 -1.137 1.743 . . . 1.0 . . . . . . . . . . . . A . 14 PHE HE2 . . . . . . . . . c30642_6pv1 1 . 8 . 3818 . 1 1 14 PHE HZ H -0.986 -0.556 4.017 . . . 1.0 . . . . . . . . . . . . A . 14 PHE HZ . . . . . . . . . c30642_6pv1 1 . 8 . 3819 . 1 1 14 PHE N N -6.632 -1.119 2.364 . . . 1.0 . . . . . . . . . . . . A . 14 PHE N . . . . . . . . . c30642_6pv1 1 . 8 . 3820 . 1 1 14 PHE O O -8.717 0.052 1.151 . . . 1.0 . . . . . . . . . . . . A . 14 PHE O . . . . . . . . . c30642_6pv1 1 . 8 . 3821 . 1 1 15 THR C C -9.546 3.780 1.091 . . . 1.0 . . . . . . . . . . . . A . 15 THR C . . . . . . . . . c30642_6pv1 1 . 8 . 3822 . 1 1 15 THR CA C -9.867 2.470 1.803 . . . 1.0 . . . . . . . . . . . . A . 15 THR CA . . . . . . . . . c30642_6pv1 1 . 8 . 3823 . 1 1 15 THR CB C -10.968 2.705 2.853 . . . 1.0 . . . . . . . . . . . . A . 15 THR CB . . . . . . . . . c30642_6pv1 1 . 8 . 3824 . 1 1 15 THR CG2 C -11.718 1.414 3.152 . . . 1.0 . . . . . . . . . . . . A . 15 THR CG2 . . . . . . . . . c30642_6pv1 1 . 8 . 3825 . 1 1 15 THR H H -8.252 2.376 3.166 . . . 1.0 . . . . . . . . . . . . A . 15 THR H . . . . . . . . . c30642_6pv1 1 . 8 . 3826 . 1 1 15 THR HA H -10.237 1.761 1.076 . . . 1.0 . . . . . . . . . . . . A . 15 THR HA . . . . . . . . . c30642_6pv1 1 . 8 . 3827 . 1 1 15 THR HB H -11.667 3.431 2.463 . . . 1.0 . . . . . . . . . . . . A . 15 THR HB . . . . . . . . . c30642_6pv1 1 . 8 . 3828 . 1 1 15 THR HG1 H -10.590 4.153 4.142 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG1 . . . . . . . . . c30642_6pv1 1 . 8 . 3829 . 1 1 15 THR HG21 H -12.184 1.049 2.249 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG21 . . . . . . . . . c30642_6pv1 1 . 8 . 3830 . 1 1 15 THR HG22 H -12.476 1.602 3.898 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG22 . . . . . . . . . c30642_6pv1 1 . 8 . 3831 . 1 1 15 THR HG23 H -11.024 0.674 3.522 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG23 . . . . . . . . . c30642_6pv1 1 . 8 . 3832 . 1 1 15 THR N N -8.679 1.899 2.419 . . . 1.0 . . . . . . . . . . . . A . 15 THR N . . . . . . . . . c30642_6pv1 1 . 8 . 3833 . 1 1 15 THR O O -10.424 4.420 0.511 . . . 1.0 . . . . . . . . . . . . A . 15 THR O . . . . . . . . . c30642_6pv1 1 . 8 . 3834 . 1 1 15 THR OG1 O -10.384 3.215 4.059 . . . 1.0 . . . . . . . . . . . . A . 15 THR OG1 . . . . . . . . . c30642_6pv1 1 . 8 . 3835 . 1 1 16 ARG C C -6.605 5.155 -0.364 . . . 1.0 . . . . . . . . . . . . A . 16 ARG C . . . . . . . . . c30642_6pv1 1 . 8 . 3836 . 1 1 16 ARG CA C -7.833 5.402 0.505 . . . 1.0 . . . . . . . . . . . . A . 16 ARG CA . . . . . . . . . c30642_6pv1 1 . 8 . 3837 . 1 1 16 ARG CB C -7.520 6.450 1.572 . . . 1.0 . . . . . . . . . . . . A . 16 ARG CB . . . . . . . . . c30642_6pv1 1 . 8 . 3838 . 1 1 16 ARG CD C -9.543 7.894 1.218 . . . 1.0 . . . . . . . . . . . . A . 16 ARG CD . . . . . . . . . c30642_6pv1 1 . 8 . 3839 . 1 1 16 ARG CG C -8.760 7.051 2.211 . . . 1.0 . . . . . . . . . . . . A . 16 ARG CG . . . . . . . . . c30642_6pv1 1 . 8 . 3840 . 1 1 16 ARG CZ C -9.043 9.566 -0.536 . . . 1.0 . . . . . . . . . . . . A . 16 ARG CZ . . . . . . . . . c30642_6pv1 1 . 8 . 3841 . 1 1 16 ARG H H -7.627 3.621 1.614 . . . 1.0 . . . . . . . . . . . . A . 16 ARG H . . . . . . . . . c30642_6pv1 1 . 8 . 3842 . 1 1 16 ARG HA H -8.635 5.763 -0.119 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HA . . . . . . . . . c30642_6pv1 1 . 8 . 3843 . 1 1 16 ARG HB2 H -6.928 5.991 2.348 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HB2 . . . . . . . . . c30642_6pv1 1 . 8 . 3844 . 1 1 16 ARG HB3 H -6.953 7.250 1.122 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HB3 . . . . . . . . . c30642_6pv1 1 . 8 . 3845 . 1 1 16 ARG HD2 H -9.975 7.244 0.472 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HD2 . . . . . . . . . c30642_6pv1 1 . 8 . 3846 . 1 1 16 ARG HD3 H -10.332 8.410 1.745 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HD3 . . . . . . . . . c30642_6pv1 1 . 8 . 3847 . 1 1 16 ARG HE H -7.795 9.037 0.943 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HE . . . . . . . . . c30642_6pv1 1 . 8 . 3848 . 1 1 16 ARG HG2 H -9.391 6.247 2.562 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HG2 . . . . . . . . . c30642_6pv1 1 . 8 . 3849 . 1 1 16 ARG HG3 H -8.461 7.668 3.043 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HG3 . . . . . . . . . c30642_6pv1 1 . 8 . 3850 . 1 1 16 ARG HH11 H -10.908 8.772 -0.652 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HH11 . . . . . . . . . c30642_6pv1 1 . 8 . 3851 . 1 1 16 ARG HH12 H -10.514 9.923 -1.889 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HH12 . . . . . . . . . c30642_6pv1 1 . 8 . 3852 . 1 1 16 ARG HH21 H -7.263 10.535 -0.695 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HH21 . . . . . . . . . c30642_6pv1 1 . 8 . 3853 . 1 1 16 ARG HH22 H -8.444 10.926 -1.911 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HH22 . . . . . . . . . c30642_6pv1 1 . 8 . 3854 . 1 1 16 ARG N N -8.280 4.172 1.138 . . . 1.0 . . . . . . . . . . . . A . 16 ARG N . . . . . . . . . c30642_6pv1 1 . 8 . 3855 . 1 1 16 ARG NE N -8.690 8.883 0.554 . . . 1.0 . . . . . . . . . . . . A . 16 ARG NE . . . . . . . . . c30642_6pv1 1 . 8 . 3856 . 1 1 16 ARG NH1 N -10.251 9.407 -1.068 . . . 1.0 . . . . . . . . . . . . A . 16 ARG NH1 . . . . . . . . . c30642_6pv1 1 . 8 . 3857 . 1 1 16 ARG NH2 N -8.186 10.410 -1.091 . . . 1.0 . . . . . . . . . . . . A . 16 ARG NH2 . . . . . . . . . c30642_6pv1 1 . 8 . 3858 . 1 1 16 ARG O O -5.686 4.426 0.020 . . . 1.0 . . . . . . . . . . . . A . 16 ARG O . . . . . . . . . c30642_6pv1 1 . 8 . 3859 . 1 1 17 SER C C -4.240 6.240 -1.979 . . . 1.0 . . . . . . . . . . . . A . 17 SER C . . . . . . . . . c30642_6pv1 1 . 8 . 3860 . 1 1 17 SER CA C -5.530 5.634 -2.508 . . . 1.0 . . . . . . . . . . . . A . 17 SER CA . . . . . . . . . c30642_6pv1 1 . 8 . 3861 . 1 1 17 SER CB C -5.937 6.315 -3.814 . . . 1.0 . . . . . . . . . . . . A . 17 SER CB . . . . . . . . . c30642_6pv1 1 . 8 . 3862 . 1 1 17 SER H H -7.364 6.359 -1.769 . . . 1.0 . . . . . . . . . . . . A . 17 SER H . . . . . . . . . c30642_6pv1 1 . 8 . 3863 . 1 1 17 SER HA H -5.378 4.580 -2.688 . . . 1.0 . . . . . . . . . . . . A . 17 SER HA . . . . . . . . . c30642_6pv1 1 . 8 . 3864 . 1 1 17 SER HB2 H -5.062 6.465 -4.429 . . . 1.0 . . . . . . . . . . . . A . 17 SER HB2 . . . . . . . . . c30642_6pv1 1 . 8 . 3865 . 1 1 17 SER HB3 H -6.645 5.694 -4.339 . . . 1.0 . . . . . . . . . . . . A . 17 SER HB3 . . . . . . . . . c30642_6pv1 1 . 8 . 3866 . 1 1 17 SER HG H -6.151 8.242 -4.129 . . . 1.0 . . . . . . . . . . . . A . 17 SER HG . . . . . . . . . c30642_6pv1 1 . 8 . 3867 . 1 1 17 SER N N -6.607 5.777 -1.539 . . . 1.0 . . . . . . . . . . . . A . 17 SER N . . . . . . . . . c30642_6pv1 1 . 8 . 3868 . 1 1 17 SER O O -3.163 5.676 -2.157 . . . 1.0 . . . . . . . . . . . . A . 17 SER O . . . . . . . . . c30642_6pv1 1 . 8 . 3869 . 1 1 17 SER OG O -6.536 7.574 -3.550 . . . 1.0 . . . . . . . . . . . . A . 17 SER OG . . . . . . . . . c30642_6pv1 1 . 8 . 3870 . 1 1 18 ASP C C -2.573 7.180 0.324 . . . 1.0 . . . . . . . . . . . . A . 18 ASP C . . . . . . . . . c30642_6pv1 1 . 8 . 3871 . 1 1 18 ASP CA C -3.211 8.066 -0.730 . . . 1.0 . . . . . . . . . . . . A . 18 ASP CA . . . . . . . . . c30642_6pv1 1 . 8 . 3872 . 1 1 18 ASP CB C -3.618 9.397 -0.089 . . . 1.0 . . . . . . . . . . . . A . 18 ASP CB . . . . . . . . . c30642_6pv1 1 . 8 . 3873 . 1 1 18 ASP CG C -4.373 10.307 -1.033 . . . 1.0 . . . . . . . . . . . . A . 18 ASP CG . . . . . . . . . c30642_6pv1 1 . 8 . 3874 . 1 1 18 ASP H H -5.250 7.804 -1.253 . . . 1.0 . . . . . . . . . . . . A . 18 ASP H . . . . . . . . . c30642_6pv1 1 . 8 . 3875 . 1 1 18 ASP HA H -2.492 8.252 -1.510 . . . 1.0 . . . . . . . . . . . . A . 18 ASP HA . . . . . . . . . c30642_6pv1 1 . 8 . 3876 . 1 1 18 ASP HB2 H -4.246 9.199 0.765 . . . 1.0 . . . . . . . . . . . . A . 18 ASP HB2 . . . . . . . . . c30642_6pv1 1 . 8 . 3877 . 1 1 18 ASP HB3 H -2.729 9.912 0.242 . . . 1.0 . . . . . . . . . . . . A . 18 ASP HB3 . . . . . . . . . c30642_6pv1 1 . 8 . 3878 . 1 1 18 ASP N N -4.363 7.390 -1.323 . . . 1.0 . . . . . . . . . . . . A . 18 ASP N . . . . . . . . . c30642_6pv1 1 . 8 . 3879 . 1 1 18 ASP O O -1.353 7.179 0.503 . . . 1.0 . . . . . . . . . . . . A . 18 ASP O . . . . . . . . . c30642_6pv1 1 . 8 . 3880 . 1 1 18 ASP OD1 O -5.558 10.595 -0.766 . . . 1.0 . . . . . . . . . . . . A . 18 ASP OD1 . . . . . . . . . c30642_6pv1 1 . 8 . 3881 . 1 1 18 ASP OD2 O -3.795 10.730 -2.054 . . . 1.0 . . . . . . . . . . . . A . 18 ASP OD2 . . . . . . . . . c30642_6pv1 1 . 8 . 3882 . 1 1 19 GLU C C -2.167 4.376 1.431 . . . 1.0 . . . . . . . . . . . . A . 19 GLU C . . . . . . . . . c30642_6pv1 1 . 8 . 3883 . 1 1 19 GLU CA C -2.967 5.515 2.047 . . . 1.0 . . . . . . . . . . . . A . 19 GLU CA . . . . . . . . . c30642_6pv1 1 . 8 . 3884 . 1 1 19 GLU CB C -4.169 4.960 2.812 . . . 1.0 . . . . . . . . . . . . A . 19 GLU CB . . . . . . . . . c30642_6pv1 1 . 8 . 3885 . 1 1 19 GLU CD C -3.449 5.576 5.140 . . . 1.0 . . . . . . . . . . . . A . 19 GLU CD . . . . . . . . . c30642_6pv1 1 . 8 . 3886 . 1 1 19 GLU CG C -3.829 4.455 4.197 . . . 1.0 . . . . . . . . . . . . A . 19 GLU CG . . . . . . . . . c30642_6pv1 1 . 8 . 3887 . 1 1 19 GLU H H -4.366 6.458 0.790 . . . 1.0 . . . . . . . . . . . . A . 19 GLU H . . . . . . . . . c30642_6pv1 1 . 8 . 3888 . 1 1 19 GLU HA H -2.334 6.068 2.723 . . . 1.0 . . . . . . . . . . . . A . 19 GLU HA . . . . . . . . . c30642_6pv1 1 . 8 . 3889 . 1 1 19 GLU HB2 H -4.910 5.738 2.912 . . . 1.0 . . . . . . . . . . . . A . 19 GLU HB2 . . . . . . . . . c30642_6pv1 1 . 8 . 3890 . 1 1 19 GLU HB3 H -4.594 4.144 2.250 . . . 1.0 . . . . . . . . . . . . A . 19 GLU HB3 . . . . . . . . . c30642_6pv1 1 . 8 . 3891 . 1 1 19 GLU HG2 H -4.689 3.942 4.599 . . . 1.0 . . . . . . . . . . . . A . 19 GLU HG2 . . . . . . . . . c30642_6pv1 1 . 8 . 3892 . 1 1 19 GLU HG3 H -3.001 3.767 4.123 . . . 1.0 . . . . . . . . . . . . A . 19 GLU HG3 . . . . . . . . . c30642_6pv1 1 . 8 . 3893 . 1 1 19 GLU N N -3.415 6.416 1.004 . . . 1.0 . . . . . . . . . . . . A . 19 GLU N . . . . . . . . . c30642_6pv1 1 . 8 . 3894 . 1 1 19 GLU O O -1.064 4.065 1.881 . . . 1.0 . . . . . . . . . . . . A . 19 GLU O . . . . . . . . . c30642_6pv1 1 . 8 . 3895 . 1 1 19 GLU OE1 O -4.351 6.125 5.804 . . . 1.0 . . . . . . . . . . . . A . 19 GLU OE1 . . . . . . . . . c30642_6pv1 1 . 8 . 3896 . 1 1 19 GLU OE2 O -2.251 5.916 5.215 . . . 1.0 . . . . . . . . . . . . A . 19 GLU OE2 . . . . . . . . . c30642_6pv1 1 . 8 . 3897 . 1 1 20 LEU C C -0.734 3.176 -0.918 . . . 1.0 . . . . . . . . . . . . A . 20 LEU C . . . . . . . . . c30642_6pv1 1 . 8 . 3898 . 1 1 20 LEU CA C -2.058 2.695 -0.332 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CA . . . . . . . . . c30642_6pv1 1 . 8 . 3899 . 1 1 20 LEU CB C -2.956 2.155 -1.449 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CB . . . . . . . . . c30642_6pv1 1 . 8 . 3900 . 1 1 20 LEU CD1 C -2.033 -0.182 -1.540 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CD1 . . . . . . . . . c30642_6pv1 1 . 8 . 3901 . 1 1 20 LEU CD2 C -3.185 0.779 -3.544 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CD2 . . . . . . . . . c30642_6pv1 1 . 8 . 3902 . 1 1 20 LEU CG C -2.309 1.084 -2.336 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CG . . . . . . . . . c30642_6pv1 1 . 8 . 3903 . 1 1 20 LEU H H -3.625 4.050 0.098 . . . 1.0 . . . . . . . . . . . . A . 20 LEU H . . . . . . . . . c30642_6pv1 1 . 8 . 3904 . 1 1 20 LEU HA H -1.856 1.904 0.373 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HA . . . . . . . . . c30642_6pv1 1 . 8 . 3905 . 1 1 20 LEU HB2 H -3.843 1.734 -0.996 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HB2 . . . . . . . . . c30642_6pv1 1 . 8 . 3906 . 1 1 20 LEU HB3 H -3.250 2.982 -2.077 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HB3 . . . . . . . . . c30642_6pv1 1 . 8 . 3907 . 1 1 20 LEU HD11 H -1.317 0.032 -0.760 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD11 . . . . . . . . . c30642_6pv1 1 . 8 . 3908 . 1 1 20 LEU HD12 H -1.634 -0.940 -2.198 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD12 . . . . . . . . . c30642_6pv1 1 . 8 . 3909 . 1 1 20 LEU HD13 H -2.951 -0.537 -1.099 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD13 . . . . . . . . . c30642_6pv1 1 . 8 . 3910 . 1 1 20 LEU HD21 H -2.665 0.096 -4.201 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD21 . . . . . . . . . c30642_6pv1 1 . 8 . 3911 . 1 1 20 LEU HD22 H -3.400 1.695 -4.075 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD22 . . . . . . . . . c30642_6pv1 1 . 8 . 3912 . 1 1 20 LEU HD23 H -4.108 0.327 -3.215 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD23 . . . . . . . . . c30642_6pv1 1 . 8 . 3913 . 1 1 20 LEU HG H -1.362 1.458 -2.698 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HG . . . . . . . . . c30642_6pv1 1 . 8 . 3914 . 1 1 20 LEU N N -2.729 3.770 0.387 . . . 1.0 . . . . . . . . . . . . A . 20 LEU N . . . . . . . . . c30642_6pv1 1 . 8 . 3915 . 1 1 20 LEU O O 0.267 2.472 -0.844 . . . 1.0 . . . . . . . . . . . . A . 20 LEU O . . . . . . . . . c30642_6pv1 1 . 8 . 3916 . 1 1 21 GLN C C 1.566 5.109 -1.025 . . . 1.0 . . . . . . . . . . . . A . 21 GLN C . . . . . . . . . c30642_6pv1 1 . 8 . 3917 . 1 1 21 GLN CA C 0.477 4.944 -2.077 . . . 1.0 . . . . . . . . . . . . A . 21 GLN CA . . . . . . . . . c30642_6pv1 1 . 8 . 3918 . 1 1 21 GLN CB C 0.180 6.292 -2.739 . . . 1.0 . . . . . . . . . . . . A . 21 GLN CB . . . . . . . . . c30642_6pv1 1 . 8 . 3919 . 1 1 21 GLN CD C 0.152 5.363 -5.085 . . . 1.0 . . . . . . . . . . . . A . 21 GLN CD . . . . . . . . . c30642_6pv1 1 . 8 . 3920 . 1 1 21 GLN CG C -0.595 6.169 -4.040 . . . 1.0 . . . . . . . . . . . . A . 21 GLN CG . . . . . . . . . c30642_6pv1 1 . 8 . 3921 . 1 1 21 GLN H H -1.575 4.882 -1.537 . . . 1.0 . . . . . . . . . . . . A . 21 GLN H . . . . . . . . . c30642_6pv1 1 . 8 . 3922 . 1 1 21 GLN HA H 0.830 4.256 -2.831 . . . 1.0 . . . . . . . . . . . . A . 21 GLN HA . . . . . . . . . c30642_6pv1 1 . 8 . 3923 . 1 1 21 GLN HB2 H -0.399 6.895 -2.056 . . . 1.0 . . . . . . . . . . . . A . 21 GLN HB2 . . . . . . . . . c30642_6pv1 1 . 8 . 3924 . 1 1 21 GLN HB3 H 1.114 6.792 -2.947 . . . 1.0 . . . . . . . . . . . . A . 21 GLN HB3 . . . . . . . . . c30642_6pv1 1 . 8 . 3925 . 1 1 21 GLN HE21 H -1.558 4.733 -5.862 . . . 1.0 . . . . . . . . . . . . A . 21 GLN HE21 . . . . . . . . . c30642_6pv1 1 . 8 . 3926 . 1 1 21 GLN HE22 H -0.124 4.150 -6.630 . . . 1.0 . . . . . . . . . . . . A . 21 GLN HE22 . . . . . . . . . c30642_6pv1 1 . 8 . 3927 . 1 1 21 GLN HG2 H -1.538 5.685 -3.839 . . . 1.0 . . . . . . . . . . . . A . 21 GLN HG2 . . . . . . . . . c30642_6pv1 1 . 8 . 3928 . 1 1 21 GLN HG3 H -0.775 7.160 -4.431 . . . 1.0 . . . . . . . . . . . . A . 21 GLN HG3 . . . . . . . . . c30642_6pv1 1 . 8 . 3929 . 1 1 21 GLN N N -0.736 4.373 -1.494 . . . 1.0 . . . . . . . . . . . . A . 21 GLN N . . . . . . . . . c30642_6pv1 1 . 8 . 3930 . 1 1 21 GLN NE2 N -0.585 4.680 -5.945 . . . 1.0 . . . . . . . . . . . . A . 21 GLN NE2 . . . . . . . . . c30642_6pv1 1 . 8 . 3931 . 1 1 21 GLN O O 2.705 4.674 -1.222 . . . 1.0 . . . . . . . . . . . . A . 21 GLN O . . . . . . . . . c30642_6pv1 1 . 8 . 3932 . 1 1 21 GLN OE1 O 1.382 5.354 -5.118 . . . 1.0 . . . . . . . . . . . . A . 21 GLN OE1 . . . . . . . . . c30642_6pv1 1 . 8 . 3933 . 1 1 22 ARG C C 2.679 4.555 1.649 . . . 1.0 . . . . . . . . . . . . A . 22 ARG C . . . . . . . . . c30642_6pv1 1 . 8 . 3934 . 1 1 22 ARG CA C 2.150 5.908 1.192 . . . 1.0 . . . . . . . . . . . . A . 22 ARG CA . . . . . . . . . c30642_6pv1 1 . 8 . 3935 . 1 1 22 ARG CB C 1.486 6.634 2.363 . . . 1.0 . . . . . . . . . . . . A . 22 ARG CB . . . . . . . . . c30642_6pv1 1 . 8 . 3936 . 1 1 22 ARG CD C 1.747 7.657 4.647 . . . 1.0 . . . . . . . . . . . . A . 22 ARG CD . . . . . . . . . c30642_6pv1 1 . 8 . 3937 . 1 1 22 ARG CG C 2.445 6.944 3.502 . . . 1.0 . . . . . . . . . . . . A . 22 ARG CG . . . . . . . . . c30642_6pv1 1 . 8 . 3938 . 1 1 22 ARG CZ C 2.318 8.601 6.855 . . . 1.0 . . . . . . . . . . . . A . 22 ARG CZ . . . . . . . . . c30642_6pv1 1 . 8 . 3939 . 1 1 22 ARG H H 0.289 6.063 0.190 . . . 1.0 . . . . . . . . . . . . A . 22 ARG H . . . . . . . . . c30642_6pv1 1 . 8 . 3940 . 1 1 22 ARG HA H 2.974 6.501 0.827 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HA . . . . . . . . . c30642_6pv1 1 . 8 . 3941 . 1 1 22 ARG HB2 H 1.068 7.563 2.005 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HB2 . . . . . . . . . c30642_6pv1 1 . 8 . 3942 . 1 1 22 ARG HB3 H 0.690 6.016 2.748 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HB3 . . . . . . . . . c30642_6pv1 1 . 8 . 3943 . 1 1 22 ARG HD2 H 1.310 8.571 4.272 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HD2 . . . . . . . . . c30642_6pv1 1 . 8 . 3944 . 1 1 22 ARG HD3 H 0.965 7.018 5.033 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HD3 . . . . . . . . . c30642_6pv1 1 . 8 . 3945 . 1 1 22 ARG HE H 3.616 7.721 5.608 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HE . . . . . . . . . c30642_6pv1 1 . 8 . 3946 . 1 1 22 ARG HG2 H 2.862 6.018 3.870 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HG2 . . . . . . . . . c30642_6pv1 1 . 8 . 3947 . 1 1 22 ARG HG3 H 3.239 7.574 3.130 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HG3 . . . . . . . . . c30642_6pv1 1 . 8 . 3948 . 1 1 22 ARG HH11 H 0.796 9.456 7.888 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HH11 . . . . . . . . . c30642_6pv1 1 . 8 . 3949 . 1 1 22 ARG HH12 H 0.373 8.819 6.330 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HH12 . . . . . . . . . c30642_6pv1 1 . 8 . 3950 . 1 1 22 ARG HH21 H 2.963 9.302 8.644 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HH21 . . . . . . . . . c30642_6pv1 1 . 8 . 3951 . 1 1 22 ARG HH22 H 4.173 8.540 7.665 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HH22 . . . . . . . . . c30642_6pv1 1 . 8 . 3952 . 1 1 22 ARG N N 1.208 5.725 0.097 . . . 1.0 . . . . . . . . . . . . A . 22 ARG N . . . . . . . . . c30642_6pv1 1 . 8 . 3953 . 1 1 22 ARG NE N 2.673 7.982 5.729 . . . 1.0 . . . . . . . . . . . . A . 22 ARG NE . . . . . . . . . c30642_6pv1 1 . 8 . 3954 . 1 1 22 ARG NH1 N 1.063 8.990 7.038 . . . 1.0 . . . . . . . . . . . . A . 22 ARG NH1 . . . . . . . . . c30642_6pv1 1 . 8 . 3955 . 1 1 22 ARG NH2 N 3.224 8.834 7.794 . . . 1.0 . . . . . . . . . . . . A . 22 ARG NH2 . . . . . . . . . c30642_6pv1 1 . 8 . 3956 . 1 1 22 ARG O O 3.883 4.372 1.826 . . . 1.0 . . . . . . . . . . . . A . 22 ARG O . . . . . . . . . c30642_6pv1 1 . 8 . 3957 . 1 1 23 HIS C C 3.074 1.612 1.201 . . . 1.0 . . . . . . . . . . . . A . 23 HIS C . . . . . . . . . c30642_6pv1 1 . 8 . 3958 . 1 1 23 HIS CA C 2.118 2.255 2.205 . . . 1.0 . . . . . . . . . . . . A . 23 HIS CA . . . . . . . . . c30642_6pv1 1 . 8 . 3959 . 1 1 23 HIS CB C 0.856 1.395 2.363 . . . 1.0 . . . . . . . . . . . . A . 23 HIS CB . . . . . . . . . c30642_6pv1 1 . 8 . 3960 . 1 1 23 HIS CD2 C 1.362 -0.965 1.487 . . . 1.0 . . . . . . . . . . . . A . 23 HIS CD2 . . . . . . . . . c30642_6pv1 1 . 8 . 3961 . 1 1 23 HIS CE1 C 1.697 -2.006 3.366 . . . 1.0 . . . . . . . . . . . . A . 23 HIS CE1 . . . . . . . . . c30642_6pv1 1 . 8 . 3962 . 1 1 23 HIS CG C 1.155 -0.063 2.473 . . . 1.0 . . . . . . . . . . . . A . 23 HIS CG . . . . . . . . . c30642_6pv1 1 . 8 . 3963 . 1 1 23 HIS H H 0.822 3.817 1.623 . . . 1.0 . . . . . . . . . . . . A . 23 HIS H . . . . . . . . . c30642_6pv1 1 . 8 . 3964 . 1 1 23 HIS HA H 2.616 2.322 3.160 . . . 1.0 . . . . . . . . . . . . A . 23 HIS HA . . . . . . . . . c30642_6pv1 1 . 8 . 3965 . 1 1 23 HIS HB2 H 0.326 1.697 3.254 . . . 1.0 . . . . . . . . . . . . A . 23 HIS HB2 . . . . . . . . . c30642_6pv1 1 . 8 . 3966 . 1 1 23 HIS HB3 H 0.219 1.541 1.504 . . . 1.0 . . . . . . . . . . . . A . 23 HIS HB3 . . . . . . . . . c30642_6pv1 1 . 8 . 3967 . 1 1 23 HIS HD1 H 1.277 -0.363 4.577 . . . 1.0 . . . . . . . . . . . . A . 23 HIS HD1 . . . . . . . . . c30642_6pv1 1 . 8 . 3968 . 1 1 23 HIS HD2 H 1.253 -0.792 0.427 . . . 1.0 . . . . . . . . . . . . A . 23 HIS HD2 . . . . . . . . . c30642_6pv1 1 . 8 . 3969 . 1 1 23 HIS HE1 H 1.911 -2.781 4.085 . . . 1.0 . . . . . . . . . . . . A . 23 HIS HE1 . . . . . . . . . c30642_6pv1 1 . 8 . 3970 . 1 1 23 HIS N N 1.766 3.603 1.797 . . . 1.0 . . . . . . . . . . . . A . 23 HIS N . . . . . . . . . c30642_6pv1 1 . 8 . 3971 . 1 1 23 HIS ND1 N 1.361 -0.741 3.670 . . . 1.0 . . . . . . . . . . . . A . 23 HIS ND1 . . . . . . . . . c30642_6pv1 1 . 8 . 3972 . 1 1 23 HIS NE2 N 1.706 -2.155 2.067 . . . 1.0 . . . . . . . . . . . . A . 23 HIS NE2 . . . . . . . . . c30642_6pv1 1 . 8 . 3973 . 1 1 23 HIS O O 4.054 0.983 1.590 . . . 1.0 . . . . . . . . . . . . A . 23 HIS O . . . . . . . . . c30642_6pv1 1 . 8 . 3974 . 1 1 24 LYS C C 5.060 1.630 -1.002 . . . 1.0 . . . . . . . . . . . . A . 24 LYS C . . . . . . . . . c30642_6pv1 1 . 8 . 3975 . 1 1 24 LYS CA C 3.613 1.185 -1.142 . . . 1.0 . . . . . . . . . . . . A . 24 LYS CA . . . . . . . . . c30642_6pv1 1 . 8 . 3976 . 1 1 24 LYS CB C 3.096 1.579 -2.529 . . . 1.0 . . . . . . . . . . . . A . 24 LYS CB . . . . . . . . . c30642_6pv1 1 . 8 . 3977 . 1 1 24 LYS CD C 2.116 -0.646 -3.171 . . . 1.0 . . . . . . . . . . . . A . 24 LYS CD . . . . . . . . . c30642_6pv1 1 . 8 . 3978 . 1 1 24 LYS CE C 0.937 -1.345 -3.823 . . . 1.0 . . . . . . . . . . . . A . 24 LYS CE . . . . . . . . . c30642_6pv1 1 . 8 . 3979 . 1 1 24 LYS CG C 1.845 0.835 -2.972 . . . 1.0 . . . . . . . . . . . . A . 24 LYS CG . . . . . . . . . c30642_6pv1 1 . 8 . 3980 . 1 1 24 LYS H H 1.978 2.277 -0.334 . . . 1.0 . . . . . . . . . . . . A . 24 LYS H . . . . . . . . . c30642_6pv1 1 . 8 . 3981 . 1 1 24 LYS HA H 3.572 0.113 -1.042 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HA . . . . . . . . . c30642_6pv1 1 . 8 . 3982 . 1 1 24 LYS HB2 H 2.875 2.635 -2.527 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HB2 . . . . . . . . . c30642_6pv1 1 . 8 . 3983 . 1 1 24 LYS HB3 H 3.875 1.388 -3.253 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HB3 . . . . . . . . . c30642_6pv1 1 . 8 . 3984 . 1 1 24 LYS HD2 H 2.985 -0.763 -3.800 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HD2 . . . . . . . . . c30642_6pv1 1 . 8 . 3985 . 1 1 24 LYS HD3 H 2.301 -1.100 -2.209 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HD3 . . . . . . . . . c30642_6pv1 1 . 8 . 3986 . 1 1 24 LYS HE2 H 0.070 -1.227 -3.191 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HE2 . . . . . . . . . c30642_6pv1 1 . 8 . 3987 . 1 1 24 LYS HE3 H 0.749 -0.886 -4.782 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HE3 . . . . . . . . . c30642_6pv1 1 . 8 . 3988 . 1 1 24 LYS HG2 H 1.081 0.952 -2.217 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HG2 . . . . . . . . . c30642_6pv1 1 . 8 . 3989 . 1 1 24 LYS HG3 H 1.500 1.257 -3.905 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HG3 . . . . . . . . . c30642_6pv1 1 . 8 . 3990 . 1 1 24 LYS HZ1 H 2.037 -2.930 -4.618 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HZ1 . . . . . . . . . c30642_6pv1 1 . 8 . 3991 . 1 1 24 LYS HZ2 H 0.382 -3.242 -4.490 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HZ2 . . . . . . . . . c30642_6pv1 1 . 8 . 3992 . 1 1 24 LYS HZ3 H 1.352 -3.261 -3.106 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HZ3 . . . . . . . . . c30642_6pv1 1 . 8 . 3993 . 1 1 24 LYS N N 2.781 1.764 -0.086 . . . 1.0 . . . . . . . . . . . . A . 24 LYS N . . . . . . . . . c30642_6pv1 1 . 8 . 3994 . 1 1 24 LYS NZ N 1.196 -2.794 -4.021 . . . 1.0 . . . . . . . . . . . . A . 24 LYS NZ . . . . . . . . . c30642_6pv1 1 . 8 . 3995 . 1 1 24 LYS O O 5.988 0.890 -1.348 . . . 1.0 . . . . . . . . . . . . A . 24 LYS O . . . . . . . . . c30642_6pv1 1 . 8 . 3996 . 1 1 25 ARG C C 7.313 2.812 0.894 . . . 1.0 . . . . . . . . . . . . A . 25 ARG C . . . . . . . . . c30642_6pv1 1 . 8 . 3997 . 1 1 25 ARG CA C 6.578 3.386 -0.319 . . . 1.0 . . . . . . . . . . . . A . 25 ARG CA . . . . . . . . . c30642_6pv1 1 . 8 . 3998 . 1 1 25 ARG CB C 6.487 4.907 -0.264 . . . 1.0 . . . . . . . . . . . . A . 25 ARG CB . . . . . . . . . c30642_6pv1 1 . 8 . 3999 . 1 1 25 ARG CD C 5.845 6.994 -1.538 . . . 1.0 . . . . . . . . . . . . A . 25 ARG CD . . . . . . . . . c30642_6pv1 1 . 8 . 4000 . 1 1 25 ARG CG C 5.980 5.485 -1.574 . . . 1.0 . . . . . . . . . . . . A . 25 ARG CG . . . . . . . . . c30642_6pv1 1 . 8 . 4001 . 1 1 25 ARG CZ C 4.731 8.584 -3.069 . . . 1.0 . . . . . . . . . . . . A . 25 ARG CZ . . . . . . . . . c30642_6pv1 1 . 8 . 4002 . 1 1 25 ARG H H 4.469 3.348 -0.158 . . . 1.0 . . . . . . . . . . . . A . 25 ARG H . . . . . . . . . c30642_6pv1 1 . 8 . 4003 . 1 1 25 ARG HA H 7.132 3.113 -1.204 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HA . . . . . . . . . c30642_6pv1 1 . 8 . 4004 . 1 1 25 ARG HB2 H 5.809 5.194 0.528 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HB2 . . . . . . . . . c30642_6pv1 1 . 8 . 4005 . 1 1 25 ARG HB3 H 7.465 5.316 -0.064 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HB3 . . . . . . . . . c30642_6pv1 1 . 8 . 4006 . 1 1 25 ARG HD2 H 5.069 7.259 -0.835 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HD2 . . . . . . . . . c30642_6pv1 1 . 8 . 4007 . 1 1 25 ARG HD3 H 6.784 7.422 -1.222 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HD3 . . . . . . . . . c30642_6pv1 1 . 8 . 4008 . 1 1 25 ARG HE H 5.858 7.036 -3.637 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HE . . . . . . . . . c30642_6pv1 1 . 8 . 4009 . 1 1 25 ARG HG2 H 6.669 5.218 -2.358 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HG2 . . . . . . . . . c30642_6pv1 1 . 8 . 4010 . 1 1 25 ARG HG3 H 5.012 5.053 -1.788 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HG3 . . . . . . . . . c30642_6pv1 1 . 8 . 4011 . 1 1 25 ARG HH11 H 3.656 10.073 -2.215 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HH11 . . . . . . . . . c30642_6pv1 1 . 8 . 4012 . 1 1 25 ARG HH12 H 4.429 8.988 -1.105 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HH12 . . . . . . . . . c30642_6pv1 1 . 8 . 4013 . 1 1 25 ARG HH21 H 4.835 8.441 -5.086 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HH21 . . . . . . . . . c30642_6pv1 1 . 8 . 4014 . 1 1 25 ARG HH22 H 3.880 9.760 -4.485 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HH22 . . . . . . . . . c30642_6pv1 1 . 8 . 4015 . 1 1 25 ARG N N 5.250 2.825 -0.463 . . . 1.0 . . . . . . . . . . . . A . 25 ARG N . . . . . . . . . c30642_6pv1 1 . 8 . 4016 . 1 1 25 ARG NE N 5.498 7.519 -2.856 . . . 1.0 . . . . . . . . . . . . A . 25 ARG NE . . . . . . . . . c30642_6pv1 1 . 8 . 4017 . 1 1 25 ARG NH1 N 4.234 9.270 -2.049 . . . 1.0 . . . . . . . . . . . . A . 25 ARG NH1 . . . . . . . . . c30642_6pv1 1 . 8 . 4018 . 1 1 25 ARG NH2 N 4.461 8.960 -4.312 . . . 1.0 . . . . . . . . . . . . A . 25 ARG NH2 . . . . . . . . . c30642_6pv1 1 . 8 . 4019 . 1 1 25 ARG O O 8.343 3.337 1.313 . . . 1.0 . . . . . . . . . . . . A . 25 ARG O . . . . . . . . . c30642_6pv1 1 . 8 . 4020 . 1 1 26 THR C C 8.223 -0.204 1.692 . . . 1.0 . . . . . . . . . . . . A . 26 THR C . . . . . . . . . c30642_6pv1 1 . 8 . 4021 . 1 1 26 THR CA C 7.516 0.934 2.422 . . . 1.0 . . . . . . . . . . . . A . 26 THR CA . . . . . . . . . c30642_6pv1 1 . 8 . 4022 . 1 1 26 THR CB C 6.609 0.353 3.528 . . . 1.0 . . . . . . . . . . . . A . 26 THR CB . . . . . . . . . c30642_6pv1 1 . 8 . 4023 . 1 1 26 THR CG2 C 5.909 1.464 4.292 . . . 1.0 . . . . . . . . . . . . A . 26 THR CG2 . . . . . . . . . c30642_6pv1 1 . 8 . 4024 . 1 1 26 THR H H 5.853 1.482 1.232 . . . 1.0 . . . . . . . . . . . . A . 26 THR H . . . . . . . . . c30642_6pv1 1 . 8 . 4025 . 1 1 26 THR HA H 8.258 1.570 2.882 . . . 1.0 . . . . . . . . . . . . A . 26 THR HA . . . . . . . . . c30642_6pv1 1 . 8 . 4026 . 1 1 26 THR HB H 7.227 -0.203 4.219 . . . 1.0 . . . . . . . . . . . . A . 26 THR HB . . . . . . . . . c30642_6pv1 1 . 8 . 4027 . 1 1 26 THR HG1 H 4.868 -0.019 2.663 . . . 1.0 . . . . . . . . . . . . A . 26 THR HG1 . . . . . . . . . c30642_6pv1 1 . 8 . 4028 . 1 1 26 THR HG21 H 5.299 2.038 3.612 . . . 1.0 . . . . . . . . . . . . A . 26 THR HG21 . . . . . . . . . c30642_6pv1 1 . 8 . 4029 . 1 1 26 THR HG22 H 6.647 2.109 4.747 . . . 1.0 . . . . . . . . . . . . A . 26 THR HG22 . . . . . . . . . c30642_6pv1 1 . 8 . 4030 . 1 1 26 THR HG23 H 5.284 1.034 5.061 . . . 1.0 . . . . . . . . . . . . A . 26 THR HG23 . . . . . . . . . c30642_6pv1 1 . 8 . 4031 . 1 1 26 THR N N 6.775 1.734 1.457 . . . 1.0 . . . . . . . . . . . . A . 26 THR N . . . . . . . . . c30642_6pv1 1 . 8 . 4032 . 1 1 26 THR O O 9.322 -0.617 2.065 . . . 1.0 . . . . . . . . . . . . A . 26 THR O . . . . . . . . . c30642_6pv1 1 . 8 . 4033 . 1 1 26 THR OG1 O 5.632 -0.533 2.966 . . . 1.0 . . . . . . . . . . . . A . 26 THR OG1 . . . . . . . . . c30642_6pv1 1 . 8 . 4034 . 1 1 27 HIS C C 9.177 -1.063 -1.156 . . . 1.0 . . . . . . . . . . . . A . 27 HIS C . . . . . . . . . c30642_6pv1 1 . 8 . 4035 . 1 1 27 HIS CA C 8.181 -1.720 -0.213 . . . 1.0 . . . . . . . . . . . . A . 27 HIS CA . . . . . . . . . c30642_6pv1 1 . 8 . 4036 . 1 1 27 HIS CB C 7.119 -2.456 -1.043 . . . 1.0 . . . . . . . . . . . . A . 27 HIS CB . . . . . . . . . c30642_6pv1 1 . 8 . 4037 . 1 1 27 HIS CD2 C 4.715 -2.824 -0.175 . . . 1.0 . . . . . . . . . . . . A . 27 HIS CD2 . . . . . . . . . c30642_6pv1 1 . 8 . 4038 . 1 1 27 HIS CE1 C 5.020 -4.610 1.036 . . . 1.0 . . . . . . . . . . . . A . 27 HIS CE1 . . . . . . . . . c30642_6pv1 1 . 8 . 4039 . 1 1 27 HIS CG C 6.036 -3.125 -0.253 . . . 1.0 . . . . . . . . . . . . A . 27 HIS CG . . . . . . . . . c30642_6pv1 1 . 8 . 4040 . 1 1 27 HIS H H 6.689 -0.361 0.416 . . . 1.0 . . . . . . . . . . . . A . 27 HIS H . . . . . . . . . c30642_6pv1 1 . 8 . 4041 . 1 1 27 HIS HA H 8.699 -2.426 0.418 . . . 1.0 . . . . . . . . . . . . A . 27 HIS HA . . . . . . . . . c30642_6pv1 1 . 8 . 4042 . 1 1 27 HIS HB2 H 6.642 -1.747 -1.704 . . . 1.0 . . . . . . . . . . . . A . 27 HIS HB2 . . . . . . . . . c30642_6pv1 1 . 8 . 4043 . 1 1 27 HIS HB3 H 7.606 -3.216 -1.640 . . . 1.0 . . . . . . . . . . . . A . 27 HIS HB3 . . . . . . . . . c30642_6pv1 1 . 8 . 4044 . 1 1 27 HIS HD1 H 7.069 -4.732 0.677 . . . 1.0 . . . . . . . . . . . . A . 27 HIS HD1 . . . . . . . . . c30642_6pv1 1 . 8 . 4045 . 1 1 27 HIS HD2 H 4.216 -2.001 -0.658 . . . 1.0 . . . . . . . . . . . . A . 27 HIS HD2 . . . . . . . . . c30642_6pv1 1 . 8 . 4046 . 1 1 27 HIS HE1 H 4.835 -5.465 1.670 . . . 1.0 . . . . . . . . . . . . A . 27 HIS HE1 . . . . . . . . . c30642_6pv1 1 . 8 . 4047 . 1 1 27 HIS N N 7.584 -0.697 0.633 . . . 1.0 . . . . . . . . . . . . A . 27 HIS N . . . . . . . . . c30642_6pv1 1 . 8 . 4048 . 1 1 27 HIS ND1 N 6.218 -4.262 0.528 . . . 1.0 . . . . . . . . . . . . A . 27 HIS ND1 . . . . . . . . . c30642_6pv1 1 . 8 . 4049 . 1 1 27 HIS NE2 N 4.110 -3.765 0.629 . . . 1.0 . . . . . . . . . . . . A . 27 HIS NE2 . . . . . . . . . c30642_6pv1 1 . 8 . 4050 . 1 1 27 HIS O O 10.263 -1.583 -1.401 . . . 1.0 . . . . . . . . . . . . A . 27 HIS O . . . . . . . . . c30642_6pv1 1 . 8 . 4051 . 1 1 28 THR C C 10.145 2.123 -1.943 . . . 1.0 . . . . . . . . . . . . A . 28 THR C . . . . . . . . . c30642_6pv1 1 . 8 . 4052 . 1 1 28 THR CA C 9.612 0.849 -2.598 . . . 1.0 . . . . . . . . . . . . A . 28 THR CA . . . . . . . . . c30642_6pv1 1 . 8 . 4053 . 1 1 28 THR CB C 8.809 1.204 -3.866 . . . 1.0 . . . . . . . . . . . . A . 28 THR CB . . . . . . . . . c30642_6pv1 1 . 8 . 4054 . 1 1 28 THR CG2 C 8.585 -0.030 -4.728 . . . 1.0 . . . . . . . . . . . . A . 28 THR CG2 . . . . . . . . . c30642_6pv1 1 . 8 . 4055 . 1 1 28 THR H H 7.921 0.466 -1.402 . . . 1.0 . . . . . . . . . . . . A . 28 THR H . . . . . . . . . c30642_6pv1 1 . 8 . 4056 . 1 1 28 THR HA H 10.445 0.225 -2.887 . . . 1.0 . . . . . . . . . . . . A . 28 THR HA . . . . . . . . . c30642_6pv1 1 . 8 . 4057 . 1 1 28 THR HB H 9.370 1.928 -4.437 . . . 1.0 . . . . . . . . . . . . A . 28 THR HB . . . . . . . . . c30642_6pv1 1 . 8 . 4058 . 1 1 28 THR HG1 H 7.030 1.127 -3.001 . . . 1.0 . . . . . . . . . . . . A . 28 THR HG1 . . . . . . . . . c30642_6pv1 1 . 8 . 4059 . 1 1 28 THR HG21 H 8.045 -0.772 -4.159 . . . 1.0 . . . . . . . . . . . . A . 28 THR HG21 . . . . . . . . . c30642_6pv1 1 . 8 . 4060 . 1 1 28 THR HG22 H 9.538 -0.434 -5.034 . . . 1.0 . . . . . . . . . . . . A . 28 THR HG22 . . . . . . . . . c30642_6pv1 1 . 8 . 4061 . 1 1 28 THR HG23 H 8.011 0.240 -5.603 . . . 1.0 . . . . . . . . . . . . A . 28 THR HG23 . . . . . . . . . c30642_6pv1 1 . 8 . 4062 . 1 1 28 THR N N 8.789 0.098 -1.666 . . . 1.0 . . . . . . . . . . . . A . 28 THR N . . . . . . . . . c30642_6pv1 1 . 8 . 4063 . 1 1 28 THR O O 10.087 3.214 -2.517 . . . 1.0 . . . . . . . . . . . . A . 28 THR O . . . . . . . . . c30642_6pv1 1 . 8 . 4064 . 1 1 28 THR OG1 O 7.539 1.773 -3.505 . . . 1.0 . . . . . . . . . . . . A . 28 THR OG1 . . . . . . . . . c30642_6pv1 1 . 8 . 4065 . 1 1 29 GLY C C 12.355 2.770 0.859 . . . 1.0 . . . . . . . . . . . . A . 29 GLY C . . . . . . . . . c30642_6pv1 1 . 8 . 4066 . 1 1 29 GLY CA C 11.162 3.121 0.000 . . . 1.0 . . . . . . . . . . . . A . 29 GLY CA . . . . . . . . . c30642_6pv1 1 . 8 . 4067 . 1 1 29 GLY H H 10.719 1.083 -0.337 . . . 1.0 . . . . . . . . . . . . A . 29 GLY H . . . . . . . . . c30642_6pv1 1 . 8 . 4068 . 1 1 29 GLY HA2 H 11.449 3.889 -0.702 . . . 1.0 . . . . . . . . . . . . A . 29 GLY HA2 . . . . . . . . . c30642_6pv1 1 . 8 . 4069 . 1 1 29 GLY HA3 H 10.375 3.500 0.633 . . . 1.0 . . . . . . . . . . . . A . 29 GLY HA3 . . . . . . . . . c30642_6pv1 1 . 8 . 4070 . 1 1 29 GLY N N 10.663 1.977 -0.733 . . . 1.0 . . . . . . . . . . . . A . 29 GLY N . . . . . . . . . c30642_6pv1 1 . 8 . 4071 . 1 1 29 GLY O O 12.940 1.697 0.708 . . . 1.0 . . . . . . . . . . . . A . 29 GLY O . . . . . . . . . c30642_6pv1 1 . 8 . 4072 . 1 1 30 GLU C C 13.628 2.387 3.659 . . . 1.0 . . . . . . . . . . . . A . 30 GLU C . . . . . . . . . c30642_6pv1 1 . 8 . 4073 . 1 1 30 GLU CA C 13.870 3.476 2.621 . . . 1.0 . . . . . . . . . . . . A . 30 GLU CA . . . . . . . . . c30642_6pv1 1 . 8 . 4074 . 1 1 30 GLU CB C 14.254 4.787 3.310 . . . 1.0 . . . . . . . . . . . . A . 30 GLU CB . . . . . . . . . c30642_6pv1 1 . 8 . 4075 . 1 1 30 GLU CD C 15.944 5.404 1.554 . . . 1.0 . . . . . . . . . . . . A . 30 GLU CD . . . . . . . . . c30642_6pv1 1 . 8 . 4076 . 1 1 30 GLU CG C 14.742 5.859 2.352 . . . 1.0 . . . . . . . . . . . . A . 30 GLU CG . . . . . . . . . c30642_6pv1 1 . 8 . 4077 . 1 1 30 GLU H H 12.148 4.465 1.890 . . . 1.0 . . . . . . . . . . . . A . 30 GLU H . . . . . . . . . c30642_6pv1 1 . 8 . 4078 . 1 1 30 GLU HA H 14.686 3.169 1.985 . . . 1.0 . . . . . . . . . . . . A . 30 GLU HA . . . . . . . . . c30642_6pv1 1 . 8 . 4079 . 1 1 30 GLU HB2 H 13.396 5.171 3.840 . . . 1.0 . . . . . . . . . . . . A . 30 GLU HB2 . . . . . . . . . c30642_6pv1 1 . 8 . 4080 . 1 1 30 GLU HB3 H 15.040 4.587 4.018 . . . 1.0 . . . . . . . . . . . . A . 30 GLU HB3 . . . . . . . . . c30642_6pv1 1 . 8 . 4081 . 1 1 30 GLU HG2 H 13.946 6.108 1.667 . . . 1.0 . . . . . . . . . . . . A . 30 GLU HG2 . . . . . . . . . c30642_6pv1 1 . 8 . 4082 . 1 1 30 GLU HG3 H 15.016 6.735 2.921 . . . 1.0 . . . . . . . . . . . . A . 30 GLU HG3 . . . . . . . . . c30642_6pv1 1 . 8 . 4083 . 1 1 30 GLU N N 12.700 3.663 1.775 . . . 1.0 . . . . . . . . . . . . A . 30 GLU N . . . . . . . . . c30642_6pv1 1 . 8 . 4084 . 1 1 30 GLU O O 14.431 1.464 3.801 . . . 1.0 . . . . . . . . . . . . A . 30 GLU O . . . . . . . . . c30642_6pv1 1 . 8 . 4085 . 1 1 30 GLU OE1 O 17.063 5.419 2.102 . . . 1.0 . . . . . . . . . . . . A . 30 GLU OE1 . . . . . . . . . c30642_6pv1 1 . 8 . 4086 . 1 1 30 GLU OE2 O 15.777 5.032 0.374 . . . 1.0 . . . . . . . . . . . . A . 30 GLU OE2 . . . . . . . . . c30642_6pv1 1 . 8 . 4087 . 1 1 31 LYS C C 11.038 0.624 4.830 . . . 1.0 . . . . . . . . . . . . A . 31 LYS C . . . . . . . . . c30642_6pv1 1 . 8 . 4088 . 1 1 31 LYS CA C 12.168 1.494 5.370 . . . 1.0 . . . . . . . . . . . . A . 31 LYS CA . . . . . . . . . c30642_6pv1 1 . 8 . 4089 . 1 1 31 LYS CB C 11.758 2.159 6.691 . . . 1.0 . . . . . . . . . . . . A . 31 LYS CB . . . . . . . . . c30642_6pv1 1 . 8 . 4090 . 1 1 31 LYS CD C 12.697 0.327 8.148 . . . 1.0 . . . . . . . . . . . . A . 31 LYS CD . . . . . . . . . c30642_6pv1 1 . 8 . 4091 . 1 1 31 LYS CE C 12.420 -0.634 9.293 . . . 1.0 . . . . . . . . . . . . A . 31 LYS CE . . . . . . . . . c30642_6pv1 1 . 8 . 4092 . 1 1 31 LYS CG C 11.477 1.176 7.819 . . . 1.0 . . . . . . . . . . . . A . 31 LYS CG . . . . . . . . . c30642_6pv1 1 . 8 . 4093 . 1 1 31 LYS H H 11.940 3.272 4.256 . . . 1.0 . . . . . . . . . . . . A . 31 LYS H . . . . . . . . . c30642_6pv1 1 . 8 . 4094 . 1 1 31 LYS HA H 13.034 0.872 5.540 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HA . . . . . . . . . c30642_6pv1 1 . 8 . 4095 . 1 1 31 LYS HB2 H 12.553 2.818 7.008 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HB2 . . . . . . . . . c30642_6pv1 1 . 8 . 4096 . 1 1 31 LYS HB3 H 10.866 2.743 6.523 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HB3 . . . . . . . . . c30642_6pv1 1 . 8 . 4097 . 1 1 31 LYS HD2 H 12.972 -0.243 7.274 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HD2 . . . . . . . . . c30642_6pv1 1 . 8 . 4098 . 1 1 31 LYS HD3 H 13.513 0.979 8.425 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HD3 . . . . . . . . . c30642_6pv1 1 . 8 . 4099 . 1 1 31 LYS HE2 H 11.607 -1.285 9.013 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HE2 . . . . . . . . . c30642_6pv1 1 . 8 . 4100 . 1 1 31 LYS HE3 H 13.307 -1.225 9.471 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HE3 . . . . . . . . . c30642_6pv1 1 . 8 . 4101 . 1 1 31 LYS HG2 H 11.189 1.729 8.701 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HG2 . . . . . . . . . c30642_6pv1 1 . 8 . 4102 . 1 1 31 LYS HG3 H 10.667 0.526 7.521 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HG3 . . . . . . . . . c30642_6pv1 1 . 8 . 4103 . 1 1 31 LYS HZ1 H 11.207 0.662 10.397 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HZ1 . . . . . . . . . c30642_6pv1 1 . 8 . 4104 . 1 1 31 LYS HZ2 H 12.835 0.699 10.845 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HZ2 . . . . . . . . . c30642_6pv1 1 . 8 . 4105 . 1 1 31 LYS HZ3 H 11.866 -0.604 11.306 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HZ3 . . . . . . . . . c30642_6pv1 1 . 8 . 4106 . 1 1 31 LYS N N 12.527 2.497 4.385 . . . 1.0 . . . . . . . . . . . . A . 31 LYS N . . . . . . . . . c30642_6pv1 1 . 8 . 4107 . 1 1 31 LYS NZ N 12.056 0.080 10.546 . . . 1.0 . . . . . . . . . . . . A . 31 LYS NZ . . . . . . . . . c30642_6pv1 1 . 8 . 4108 . 1 1 31 LYS O O 9.863 0.844 5.122 . . . 1.0 . . . . . . . . . . . . A . 31 LYS O . . . . . . . . . c30642_6pv1 1 . 8 . 4109 . 1 1 32 NH2 HN1 H 12.356 -0.467 3.833 . . . 1.0 . . . . . . . . . . . . A . 32 NH2 HN1 . . . . . . . . . c30642_6pv1 1 . 8 . 4110 . 1 1 32 NH2 HN2 H 10.695 -0.915 3.632 . . . 1.0 . . . . . . . . . . . . A . 32 NH2 HN2 . . . . . . . . . c30642_6pv1 1 . 8 . 4111 . 1 1 32 NH2 N N 11.399 -0.351 4.020 . . . 1.0 . . . . . . . . . . . . A . 32 NH2 N . . . . . . . . . c30642_6pv1 1 . 8 . 4112 . 2 2 1 ZN ZN Zn 2.165 -3.808 1.067 . . . 1.0 . . . . . . . . . . . . A . 101 ZN ZN . . . . . . . . . c30642_6pv1 1 . 9 . 4113 . 1 1 1 ARG C C -12.325 1.631 -2.537 . . . 1.0 . . . . . . . . . . . . A . 1 ARG C . . . . . . . . . c30642_6pv1 1 . 9 . 4114 . 1 1 1 ARG CA C -13.245 2.425 -3.457 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CA . . . . . . . . . c30642_6pv1 1 . 9 . 4115 . 1 1 1 ARG CB C -12.445 2.976 -4.647 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CB . . . . . . . . . c30642_6pv1 1 . 9 . 4116 . 1 1 1 ARG CD C -10.969 2.480 -6.632 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CD . . . . . . . . . c30642_6pv1 1 . 9 . 4117 . 1 1 1 ARG CG C -11.770 1.894 -5.480 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CG . . . . . . . . . c30642_6pv1 1 . 9 . 4118 . 1 1 1 ARG CZ C -9.220 1.654 -8.177 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CZ . . . . . . . . . c30642_6pv1 1 . 9 . 4119 . 1 1 1 ARG H1 H -13.149 4.137 -2.278 . . . 1.0 . . . . . . . . . . . . A . 1 ARG H1 . . . . . . . . . c30642_6pv1 1 . 9 . 4120 . 1 1 1 ARG H2 H -14.484 3.152 -1.951 . . . 1.0 . . . . . . . . . . . . A . 1 ARG H2 . . . . . . . . . c30642_6pv1 1 . 9 . 4121 . 1 1 1 ARG H3 H -14.460 4.112 -3.342 . . . 1.0 . . . . . . . . . . . . A . 1 ARG H3 . . . . . . . . . c30642_6pv1 1 . 9 . 4122 . 1 1 1 ARG HA H -14.024 1.774 -3.823 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HA . . . . . . . . . c30642_6pv1 1 . 9 . 4123 . 1 1 1 ARG HB2 H -13.112 3.532 -5.290 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HB2 . . . . . . . . . c30642_6pv1 1 . 9 . 4124 . 1 1 1 ARG HB3 H -11.681 3.642 -4.275 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HB3 . . . . . . . . . c30642_6pv1 1 . 9 . 4125 . 1 1 1 ARG HD2 H -11.640 3.020 -7.284 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HD2 . . . . . . . . . c30642_6pv1 1 . 9 . 4126 . 1 1 1 ARG HD3 H -10.231 3.160 -6.231 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HD3 . . . . . . . . . c30642_6pv1 1 . 9 . 4127 . 1 1 1 ARG HE H -10.648 0.522 -7.340 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HE . . . . . . . . . c30642_6pv1 1 . 9 . 4128 . 1 1 1 ARG HG2 H -11.104 1.329 -4.845 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HG2 . . . . . . . . . c30642_6pv1 1 . 9 . 4129 . 1 1 1 ARG HG3 H -12.530 1.238 -5.879 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HG3 . . . . . . . . . c30642_6pv1 1 . 9 . 4130 . 1 1 1 ARG HH11 H -7.913 3.036 -8.884 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH11 . . . . . . . . . c30642_6pv1 1 . 9 . 4131 . 1 1 1 ARG HH12 H -9.142 3.650 -7.821 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH12 . . . . . . . . . c30642_6pv1 1 . 9 . 4132 . 1 1 1 ARG HH21 H -7.856 0.794 -9.408 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH21 . . . . . . . . . c30642_6pv1 1 . 9 . 4133 . 1 1 1 ARG HH22 H -9.040 -0.287 -8.739 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH22 . . . . . . . . . c30642_6pv1 1 . 9 . 4134 . 1 1 1 ARG N N -13.878 3.532 -2.706 . . . 1.0 . . . . . . . . . . . . A . 1 ARG N . . . . . . . . . c30642_6pv1 1 . 9 . 4135 . 1 1 1 ARG NE N -10.287 1.440 -7.406 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NE . . . . . . . . . c30642_6pv1 1 . 9 . 4136 . 1 1 1 ARG NH1 N -8.717 2.877 -8.303 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NH1 . . . . . . . . . c30642_6pv1 1 . 9 . 4137 . 1 1 1 ARG NH2 N -8.659 0.640 -8.826 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NH2 . . . . . . . . . c30642_6pv1 1 . 9 . 4138 . 1 1 1 ARG O O -11.566 2.216 -1.768 . . . 1.0 . . . . . . . . . . . . A . 1 ARG O . . . . . . . . . c30642_6pv1 1 . 9 . 4139 . 1 1 2 PRO C C -10.110 -0.655 -2.421 . . . 1.0 . . . . . . . . . . . . A . 2 PRO C . . . . . . . . . c30642_6pv1 1 . 9 . 4140 . 1 1 2 PRO CA C -11.501 -0.567 -1.798 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CA . . . . . . . . . c30642_6pv1 1 . 9 . 4141 . 1 1 2 PRO CB C -12.190 -1.930 -1.844 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CB . . . . . . . . . c30642_6pv1 1 . 9 . 4142 . 1 1 2 PRO CD C -13.363 -0.503 -3.367 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CD . . . . . . . . . c30642_6pv1 1 . 9 . 4143 . 1 1 2 PRO CG C -12.933 -1.929 -3.135 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CG . . . . . . . . . c30642_6pv1 1 . 9 . 4144 . 1 1 2 PRO HA H -11.419 -0.232 -0.775 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HA . . . . . . . . . c30642_6pv1 1 . 9 . 4145 . 1 1 2 PRO HB2 H -11.445 -2.711 -1.815 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HB2 . . . . . . . . . c30642_6pv1 1 . 9 . 4146 . 1 1 2 PRO HB3 H -12.858 -2.029 -1.004 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HB3 . . . . . . . . . c30642_6pv1 1 . 9 . 4147 . 1 1 2 PRO HD2 H -13.295 -0.255 -4.416 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HD2 . . . . . . . . . c30642_6pv1 1 . 9 . 4148 . 1 1 2 PRO HD3 H -14.369 -0.351 -3.007 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HD3 . . . . . . . . . c30642_6pv1 1 . 9 . 4149 . 1 1 2 PRO HG2 H -12.283 -2.260 -3.932 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HG2 . . . . . . . . . c30642_6pv1 1 . 9 . 4150 . 1 1 2 PRO HG3 H -13.796 -2.575 -3.061 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HG3 . . . . . . . . . c30642_6pv1 1 . 9 . 4151 . 1 1 2 PRO N N -12.397 0.289 -2.577 . . . 1.0 . . . . . . . . . . . . A . 2 PRO N . . . . . . . . . c30642_6pv1 1 . 9 . 4152 . 1 1 2 PRO O O -9.965 -0.668 -3.646 . . . 1.0 . . . . . . . . . . . . A . 2 PRO O . . . . . . . . . c30642_6pv1 1 . 9 . 4153 . 1 1 3 PHE C C -7.010 -1.942 -1.299 . . . 1.0 . . . . . . . . . . . . A . 3 PHE C . . . . . . . . . c30642_6pv1 1 . 9 . 4154 . 1 1 3 PHE CA C -7.716 -0.814 -2.034 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CA . . . . . . . . . c30642_6pv1 1 . 9 . 4155 . 1 1 3 PHE CB C -6.971 0.505 -1.810 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CB . . . . . . . . . c30642_6pv1 1 . 9 . 4156 . 1 1 3 PHE CD1 C -7.103 1.782 -3.963 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD1 . . . . . . . . . c30642_6pv1 1 . 9 . 4157 . 1 1 3 PHE CD2 C -8.386 2.553 -2.109 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD2 . . . . . . . . . c30642_6pv1 1 . 9 . 4158 . 1 1 3 PHE CE1 C -7.588 2.819 -4.735 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE1 . . . . . . . . . c30642_6pv1 1 . 9 . 4159 . 1 1 3 PHE CE2 C -8.875 3.592 -2.875 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE2 . . . . . . . . . c30642_6pv1 1 . 9 . 4160 . 1 1 3 PHE CG C -7.496 1.637 -2.643 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CG . . . . . . . . . c30642_6pv1 1 . 9 . 4161 . 1 1 3 PHE CZ C -8.477 3.725 -4.190 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CZ . . . . . . . . . c30642_6pv1 1 . 9 . 4162 . 1 1 3 PHE H H -9.268 -0.664 -0.609 . . . 1.0 . . . . . . . . . . . . A . 3 PHE H . . . . . . . . . c30642_6pv1 1 . 9 . 4163 . 1 1 3 PHE HA H -7.730 -1.036 -3.090 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HA . . . . . . . . . c30642_6pv1 1 . 9 . 4164 . 1 1 3 PHE HB2 H -7.059 0.787 -0.772 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB2 . . . . . . . . . c30642_6pv1 1 . 9 . 4165 . 1 1 3 PHE HB3 H -5.930 0.367 -2.051 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB3 . . . . . . . . . c30642_6pv1 1 . 9 . 4166 . 1 1 3 PHE HD1 H -6.410 1.073 -4.390 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD1 . . . . . . . . . c30642_6pv1 1 . 9 . 4167 . 1 1 3 PHE HD2 H -8.699 2.452 -1.081 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD2 . . . . . . . . . c30642_6pv1 1 . 9 . 4168 . 1 1 3 PHE HE1 H -7.273 2.923 -5.762 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE1 . . . . . . . . . c30642_6pv1 1 . 9 . 4169 . 1 1 3 PHE HE2 H -9.570 4.297 -2.446 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE2 . . . . . . . . . c30642_6pv1 1 . 9 . 4170 . 1 1 3 PHE HZ H -8.860 4.538 -4.792 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HZ . . . . . . . . . c30642_6pv1 1 . 9 . 4171 . 1 1 3 PHE N N -9.092 -0.703 -1.576 . . . 1.0 . . . . . . . . . . . . A . 3 PHE N . . . . . . . . . c30642_6pv1 1 . 9 . 4172 . 1 1 3 PHE O O -7.268 -2.182 -0.122 . . . 1.0 . . . . . . . . . . . . A . 3 PHE O . . . . . . . . . c30642_6pv1 1 . 9 . 4173 . 1 1 4 NLE C C -4.002 -3.851 -1.980 . . . 1.0 . . . . . . . . . . . . A . 4 NLE C . . . . . . . . . c30642_6pv1 1 . 9 . 4174 . 1 1 4 NLE CA C -5.393 -3.734 -1.375 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CA . . . . . . . . . c30642_6pv1 1 . 9 . 4175 . 1 1 4 NLE CB C -6.156 -5.053 -1.535 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CB . . . . . . . . . c30642_6pv1 1 . 9 . 4176 . 1 1 4 NLE CD C -6.397 -7.471 -0.892 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CD . . . . . . . . . c30642_6pv1 1 . 9 . 4177 . 1 1 4 NLE CE C -5.765 -8.612 -0.124 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CE . . . . . . . . . c30642_6pv1 1 . 9 . 4178 . 1 1 4 NLE CG C -5.523 -6.230 -0.803 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CG . . . . . . . . . c30642_6pv1 1 . 9 . 4179 . 1 1 4 NLE H H -5.981 -2.435 -2.937 . . . 1.0 . . . . . . . . . . . . A . 4 NLE H . . . . . . . . . c30642_6pv1 1 . 9 . 4180 . 1 1 4 NLE HA H -5.296 -3.511 -0.322 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HA . . . . . . . . . c30642_6pv1 1 . 9 . 4181 . 1 1 4 NLE HB2 H -6.204 -5.295 -2.585 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HB2 . . . . . . . . . c30642_6pv1 1 . 9 . 4182 . 1 1 4 NLE HB3 H -7.159 -4.921 -1.161 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HB3 . . . . . . . . . c30642_6pv1 1 . 9 . 4183 . 1 1 4 NLE HD2 H -6.501 -7.763 -1.926 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HD2 . . . . . . . . . c30642_6pv1 1 . 9 . 4184 . 1 1 4 NLE HD3 H -7.367 -7.261 -0.466 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HD3 . . . . . . . . . c30642_6pv1 1 . 9 . 4185 . 1 1 4 NLE HE1 H -4.802 -8.843 -0.552 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HE1 . . . . . . . . . c30642_6pv1 1 . 9 . 4186 . 1 1 4 NLE HE2 H -6.403 -9.482 -0.182 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HE2 . . . . . . . . . c30642_6pv1 1 . 9 . 4187 . 1 1 4 NLE HE3 H -5.641 -8.326 0.910 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HE3 . . . . . . . . . c30642_6pv1 1 . 9 . 4188 . 1 1 4 NLE HG2 H -5.389 -5.970 0.237 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HG2 . . . . . . . . . c30642_6pv1 1 . 9 . 4189 . 1 1 4 NLE HG3 H -4.565 -6.446 -1.248 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HG3 . . . . . . . . . c30642_6pv1 1 . 9 . 4190 . 1 1 4 NLE N N -6.131 -2.645 -1.991 . . . 1.0 . . . . . . . . . . . . A . 4 NLE N . . . . . . . . . c30642_6pv1 1 . 9 . 4191 . 1 1 4 NLE O O -3.828 -3.757 -3.198 . . . 1.0 . . . . . . . . . . . . A . 4 NLE O . . . . . . . . . c30642_6pv1 1 . 9 . 4192 . 1 1 5 CYS C C -1.391 -5.693 -1.839 . . . 1.0 . . . . . . . . . . . . A . 5 CYS C . . . . . . . . . c30642_6pv1 1 . 9 . 4193 . 1 1 5 CYS CA C -1.648 -4.222 -1.538 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CA . . . . . . . . . c30642_6pv1 1 . 9 . 4194 . 1 1 5 CYS CB C -0.694 -3.735 -0.455 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CB . . . . . . . . . c30642_6pv1 1 . 9 . 4195 . 1 1 5 CYS H H -3.225 -4.025 -0.159 . . . 1.0 . . . . . . . . . . . . A . 5 CYS H . . . . . . . . . c30642_6pv1 1 . 9 . 4196 . 1 1 5 CYS HA H -1.486 -3.646 -2.436 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HA . . . . . . . . . c30642_6pv1 1 . 9 . 4197 . 1 1 5 CYS HB2 H -0.825 -2.671 -0.318 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB2 . . . . . . . . . c30642_6pv1 1 . 9 . 4198 . 1 1 5 CYS HB3 H -0.926 -4.241 0.468 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB3 . . . . . . . . . c30642_6pv1 1 . 9 . 4199 . 1 1 5 CYS N N -3.019 -4.028 -1.119 . . . 1.0 . . . . . . . . . . . . A . 5 CYS N . . . . . . . . . c30642_6pv1 1 . 9 . 4200 . 1 1 5 CYS O O -1.160 -6.500 -0.930 . . . 1.0 . . . . . . . . . . . . A . 5 CYS O . . . . . . . . . c30642_6pv1 1 . 9 . 4201 . 1 1 5 CYS SG S 1.045 -4.031 -0.823 . . . 1.0 . . . . . . . . . . . . A . 5 CYS SG . . . . . . . . . c30642_6pv1 1 . 9 . 4202 . 1 1 6 THR C C 0.253 -7.747 -3.676 . . . 1.0 . . . . . . . . . . . . A . 6 THR C . . . . . . . . . c30642_6pv1 1 . 9 . 4203 . 1 1 6 THR CA C -1.236 -7.398 -3.563 . . . 1.0 . . . . . . . . . . . . A . 6 THR CA . . . . . . . . . c30642_6pv1 1 . 9 . 4204 . 1 1 6 THR CB C -1.937 -7.606 -4.921 . . . 1.0 . . . . . . . . . . . . A . 6 THR CB . . . . . . . . . c30642_6pv1 1 . 9 . 4205 . 1 1 6 THR CG2 C -2.174 -9.082 -5.201 . . . 1.0 . . . . . . . . . . . . A . 6 THR CG2 . . . . . . . . . c30642_6pv1 1 . 9 . 4206 . 1 1 6 THR H H -1.569 -5.329 -3.792 . . . 1.0 . . . . . . . . . . . . A . 6 THR H . . . . . . . . . c30642_6pv1 1 . 9 . 4207 . 1 1 6 THR HA H -1.696 -8.051 -2.836 . . . 1.0 . . . . . . . . . . . . A . 6 THR HA . . . . . . . . . c30642_6pv1 1 . 9 . 4208 . 1 1 6 THR HB H -1.313 -7.197 -5.701 . . . 1.0 . . . . . . . . . . . . A . 6 THR HB . . . . . . . . . c30642_6pv1 1 . 9 . 4209 . 1 1 6 THR HG1 H -3.847 -7.442 -4.426 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG1 . . . . . . . . . c30642_6pv1 1 . 9 . 4210 . 1 1 6 THR HG21 H -1.226 -9.600 -5.222 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG21 . . . . . . . . . c30642_6pv1 1 . 9 . 4211 . 1 1 6 THR HG22 H -2.667 -9.194 -6.155 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG22 . . . . . . . . . c30642_6pv1 1 . 9 . 4212 . 1 1 6 THR HG23 H -2.796 -9.502 -4.423 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG23 . . . . . . . . . c30642_6pv1 1 . 9 . 4213 . 1 1 6 THR N N -1.416 -6.028 -3.118 . . . 1.0 . . . . . . . . . . . . A . 6 THR N . . . . . . . . . c30642_6pv1 1 . 9 . 4214 . 1 1 6 THR O O 0.661 -8.554 -4.511 . . . 1.0 . . . . . . . . . . . . A . 6 THR O . . . . . . . . . c30642_6pv1 1 . 9 . 4215 . 1 1 6 THR OG1 O -3.199 -6.920 -4.915 . . . 1.0 . . . . . . . . . . . . A . 6 THR OG1 . . . . . . . . . c30642_6pv1 1 . 9 . 4216 . 1 1 7 TRP C C 2.658 -8.831 -2.221 . . . 1.0 . . . . . . . . . . . . A . 7 TRP C . . . . . . . . . c30642_6pv1 1 . 9 . 4217 . 1 1 7 TRP CA C 2.480 -7.424 -2.771 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CA . . . . . . . . . c30642_6pv1 1 . 9 . 4218 . 1 1 7 TRP CB C 3.196 -6.405 -1.884 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CB . . . . . . . . . c30642_6pv1 1 . 9 . 4219 . 1 1 7 TRP CD1 C 5.485 -7.340 -1.228 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD1 . . . . . . . . . c30642_6pv1 1 . 9 . 4220 . 1 1 7 TRP CD2 C 5.561 -5.665 -2.705 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD2 . . . . . . . . . c30642_6pv1 1 . 9 . 4221 . 1 1 7 TRP CE2 C 6.876 -6.080 -2.430 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE2 . . . . . . . . . c30642_6pv1 1 . 9 . 4222 . 1 1 7 TRP CE3 C 5.358 -4.619 -3.605 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE3 . . . . . . . . . c30642_6pv1 1 . 9 . 4223 . 1 1 7 TRP CG C 4.687 -6.487 -1.931 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CG . . . . . . . . . c30642_6pv1 1 . 9 . 4224 . 1 1 7 TRP CH2 C 7.755 -4.460 -3.903 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CH2 . . . . . . . . . c30642_6pv1 1 . 9 . 4225 . 1 1 7 TRP CZ2 C 7.983 -5.484 -3.026 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ2 . . . . . . . . . c30642_6pv1 1 . 9 . 4226 . 1 1 7 TRP CZ3 C 6.458 -4.027 -4.195 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ3 . . . . . . . . . c30642_6pv1 1 . 9 . 4227 . 1 1 7 TRP H H 0.696 -6.445 -2.230 . . . 1.0 . . . . . . . . . . . . A . 7 TRP H . . . . . . . . . c30642_6pv1 1 . 9 . 4228 . 1 1 7 TRP HA H 2.883 -7.379 -3.771 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HA . . . . . . . . . c30642_6pv1 1 . 9 . 4229 . 1 1 7 TRP HB2 H 2.913 -5.413 -2.192 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB2 . . . . . . . . . c30642_6pv1 1 . 9 . 4230 . 1 1 7 TRP HB3 H 2.888 -6.556 -0.864 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB3 . . . . . . . . . c30642_6pv1 1 . 9 . 4231 . 1 1 7 TRP HD1 H 5.116 -8.091 -0.544 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HD1 . . . . . . . . . c30642_6pv1 1 . 9 . 4232 . 1 1 7 TRP HE1 H 7.568 -7.595 -1.154 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE1 . . . . . . . . . c30642_6pv1 1 . 9 . 4233 . 1 1 7 TRP HE3 H 4.362 -4.274 -3.840 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE3 . . . . . . . . . c30642_6pv1 1 . 9 . 4234 . 1 1 7 TRP HH2 H 8.584 -3.966 -4.387 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HH2 . . . . . . . . . c30642_6pv1 1 . 9 . 4235 . 1 1 7 TRP HZ2 H 8.991 -5.808 -2.811 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ2 . . . . . . . . . c30642_6pv1 1 . 9 . 4236 . 1 1 7 TRP HZ3 H 6.321 -3.214 -4.891 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ3 . . . . . . . . . c30642_6pv1 1 . 9 . 4237 . 1 1 7 TRP N N 1.064 -7.120 -2.833 . . . 1.0 . . . . . . . . . . . . A . 7 TRP N . . . . . . . . . c30642_6pv1 1 . 9 . 4238 . 1 1 7 TRP NE1 N 6.803 -7.108 -1.528 . . . 1.0 . . . . . . . . . . . . A . 7 TRP NE1 . . . . . . . . . c30642_6pv1 1 . 9 . 4239 . 1 1 7 TRP O O 1.905 -9.249 -1.338 . . . 1.0 . . . . . . . . . . . . A . 7 TRP O . . . . . . . . . c30642_6pv1 1 . 9 . 4240 . 1 1 8 ABA C C 3.985 -11.092 -0.862 . . . 1.0 . . . . . . . . . . . . A . 8 AIB C . . . . . . . . . c30642_6pv1 1 . 9 . 4241 . 1 1 8 ABA CA C 3.905 -10.940 -2.392 . . . 1.0 . . . . . . . . . . . . A . 8 AIB CA . . . . . . . . . c30642_6pv1 1 . 9 . 4242 . 1 1 8 ABA H H 4.200 -9.125 -3.444 . . . 1.0 . . . . . . . . . . . . A . 8 AIB H . . . . . . . . . c30642_6pv1 1 . 9 . 4243 . 1 1 8 ABA N N 3.635 -9.546 -2.762 . . . 1.0 . . . . . . . . . . . . A . 8 AIB N . . . . . . . . . c30642_6pv1 1 . 9 . 4244 . 1 1 8 ABA O O 4.981 -10.710 -0.247 . . . 1.0 . . . . . . . . . . . . A . 8 AIB O . . . . . . . . . c30642_6pv1 1 . 9 . 4245 . 1 1 9 GLY C C 2.515 -10.758 2.027 . . . 1.0 . . . . . . . . . . . . A . 9 GLY C . . . . . . . . . c30642_6pv1 1 . 9 . 4246 . 1 1 9 GLY CA C 2.953 -11.923 1.161 . . . 1.0 . . . . . . . . . . . . A . 9 GLY CA . . . . . . . . . c30642_6pv1 1 . 9 . 4247 . 1 1 9 GLY H H 2.123 -11.826 -0.780 . . . 1.0 . . . . . . . . . . . . A . 9 GLY H . . . . . . . . . c30642_6pv1 1 . 9 . 4248 . 1 1 9 GLY HA2 H 2.299 -12.758 1.351 . . . 1.0 . . . . . . . . . . . . A . 9 GLY HA2 . . . . . . . . . c30642_6pv1 1 . 9 . 4249 . 1 1 9 GLY HA3 H 3.959 -12.201 1.437 . . . 1.0 . . . . . . . . . . . . A . 9 GLY HA3 . . . . . . . . . c30642_6pv1 1 . 9 . 4250 . 1 1 9 GLY N N 2.929 -11.628 -0.258 . . . 1.0 . . . . . . . . . . . . A . 9 GLY N . . . . . . . . . c30642_6pv1 1 . 9 . 4251 . 1 1 9 GLY O O 2.656 -10.804 3.250 . . . 1.0 . . . . . . . . . . . . A . 9 GLY O . . . . . . . . . c30642_6pv1 1 . 9 . 4252 . 1 1 10 CYS C C 0.041 -8.576 2.400 . . . 1.0 . . . . . . . . . . . . A . 10 CYS C . . . . . . . . . c30642_6pv1 1 . 9 . 4253 . 1 1 10 CYS CA C 1.553 -8.548 2.162 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CA . . . . . . . . . c30642_6pv1 1 . 9 . 4254 . 1 1 10 CYS CB C 1.975 -7.272 1.440 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CB . . . . . . . . . c30642_6pv1 1 . 9 . 4255 . 1 1 10 CYS H H 1.871 -9.730 0.434 . . . 1.0 . . . . . . . . . . . . A . 10 CYS H . . . . . . . . . c30642_6pv1 1 . 9 . 4256 . 1 1 10 CYS HA H 2.049 -8.580 3.119 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HA . . . . . . . . . c30642_6pv1 1 . 9 . 4257 . 1 1 10 CYS HB2 H 3.013 -7.355 1.161 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB2 . . . . . . . . . c30642_6pv1 1 . 9 . 4258 . 1 1 10 CYS HB3 H 1.377 -7.153 0.552 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB3 . . . . . . . . . c30642_6pv1 1 . 9 . 4259 . 1 1 10 CYS N N 1.979 -9.715 1.412 . . . 1.0 . . . . . . . . . . . . A . 10 CYS N . . . . . . . . . c30642_6pv1 1 . 9 . 4260 . 1 1 10 CYS O O -0.408 -8.977 3.476 . . . 1.0 . . . . . . . . . . . . A . 10 CYS O . . . . . . . . . c30642_6pv1 1 . 9 . 4261 . 1 1 10 CYS SG S 1.794 -5.777 2.432 . . . 1.0 . . . . . . . . . . . . A . 10 CYS SG . . . . . . . . . c30642_6pv1 1 . 9 . 4262 . 1 1 11 GLY C C -2.697 -7.201 2.585 . . . 1.0 . . . . . . . . . . . . A . 11 GLY C . . . . . . . . . c30642_6pv1 1 . 9 . 4263 . 1 1 11 GLY CA C -2.189 -8.197 1.557 . . . 1.0 . . . . . . . . . . . . A . 11 GLY CA . . . . . . . . . c30642_6pv1 1 . 9 . 4264 . 1 1 11 GLY H H -0.351 -7.834 0.571 . . . 1.0 . . . . . . . . . . . . A . 11 GLY H . . . . . . . . . c30642_6pv1 1 . 9 . 4265 . 1 1 11 GLY HA2 H -2.640 -7.971 0.602 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA2 . . . . . . . . . c30642_6pv1 1 . 9 . 4266 . 1 1 11 GLY HA3 H -2.485 -9.189 1.857 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA3 . . . . . . . . . c30642_6pv1 1 . 9 . 4267 . 1 1 11 GLY N N -0.746 -8.164 1.409 . . . 1.0 . . . . . . . . . . . . A . 11 GLY N . . . . . . . . . c30642_6pv1 1 . 9 . 4268 . 1 1 11 GLY O O -3.621 -7.497 3.344 . . . 1.0 . . . . . . . . . . . . A . 11 GLY O . . . . . . . . . c30642_6pv1 1 . 9 . 4269 . 1 1 12 LYS C C -3.657 -4.194 2.810 . . . 1.0 . . . . . . . . . . . . A . 12 LYS C . . . . . . . . . c30642_6pv1 1 . 9 . 4270 . 1 1 12 LYS CA C -2.528 -4.954 3.500 . . . 1.0 . . . . . . . . . . . . A . 12 LYS CA . . . . . . . . . c30642_6pv1 1 . 9 . 4271 . 1 1 12 LYS CB C -1.362 -4.009 3.811 . . . 1.0 . . . . . . . . . . . . A . 12 LYS CB . . . . . . . . . c30642_6pv1 1 . 9 . 4272 . 1 1 12 LYS CD C -1.669 -3.575 6.269 . . . 1.0 . . . . . . . . . . . . A . 12 LYS CD . . . . . . . . . c30642_6pv1 1 . 9 . 4273 . 1 1 12 LYS CE C -1.892 -2.507 7.325 . . . 1.0 . . . . . . . . . . . . A . 12 LYS CE . . . . . . . . . c30642_6pv1 1 . 9 . 4274 . 1 1 12 LYS CG C -1.665 -2.973 4.878 . . . 1.0 . . . . . . . . . . . . A . 12 LYS CG . . . . . . . . . c30642_6pv1 1 . 9 . 4275 . 1 1 12 LYS H H -1.290 -5.890 2.065 . . . 1.0 . . . . . . . . . . . . A . 12 LYS H . . . . . . . . . c30642_6pv1 1 . 9 . 4276 . 1 1 12 LYS HA H -2.897 -5.388 4.416 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HA . . . . . . . . . c30642_6pv1 1 . 9 . 4277 . 1 1 12 LYS HB2 H -0.519 -4.594 4.144 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HB2 . . . . . . . . . c30642_6pv1 1 . 9 . 4278 . 1 1 12 LYS HB3 H -1.088 -3.487 2.906 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HB3 . . . . . . . . . c30642_6pv1 1 . 9 . 4279 . 1 1 12 LYS HD2 H -2.460 -4.305 6.336 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HD2 . . . . . . . . . c30642_6pv1 1 . 9 . 4280 . 1 1 12 LYS HD3 H -0.717 -4.052 6.448 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HD3 . . . . . . . . . c30642_6pv1 1 . 9 . 4281 . 1 1 12 LYS HE2 H -1.160 -1.726 7.186 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HE2 . . . . . . . . . c30642_6pv1 1 . 9 . 4282 . 1 1 12 LYS HE3 H -2.883 -2.096 7.199 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HE3 . . . . . . . . . c30642_6pv1 1 . 9 . 4283 . 1 1 12 LYS HG2 H -0.914 -2.200 4.836 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HG2 . . . . . . . . . c30642_6pv1 1 . 9 . 4284 . 1 1 12 LYS HG3 H -2.634 -2.542 4.678 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HG3 . . . . . . . . . c30642_6pv1 1 . 9 . 4285 . 1 1 12 LYS HZ1 H -0.835 -3.502 8.823 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HZ1 . . . . . . . . . c30642_6pv1 1 . 9 . 4286 . 1 1 12 LYS HZ2 H -2.505 -3.753 8.885 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HZ2 . . . . . . . . . c30642_6pv1 1 . 9 . 4287 . 1 1 12 LYS HZ3 H -1.851 -2.279 9.397 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HZ3 . . . . . . . . . c30642_6pv1 1 . 9 . 4288 . 1 1 12 LYS N N -2.076 -6.032 2.628 . . . 1.0 . . . . . . . . . . . . A . 12 LYS N . . . . . . . . . c30642_6pv1 1 . 9 . 4289 . 1 1 12 LYS NZ N -1.764 -3.049 8.703 . . . 1.0 . . . . . . . . . . . . A . 12 LYS NZ . . . . . . . . . c30642_6pv1 1 . 9 . 4290 . 1 1 12 LYS O O -3.532 -3.836 1.642 . . . 1.0 . . . . . . . . . . . . A . 12 LYS O . . . . . . . . . c30642_6pv1 1 . 9 . 4291 . 1 1 13 ARG C C -6.161 -1.931 3.335 . . . 1.0 . . . . . . . . . . . . A . 13 ARG C . . . . . . . . . c30642_6pv1 1 . 9 . 4292 . 1 1 13 ARG CA C -5.934 -3.371 2.891 . . . 1.0 . . . . . . . . . . . . A . 13 ARG CA . . . . . . . . . c30642_6pv1 1 . 9 . 4293 . 1 1 13 ARG CB C -7.167 -4.223 3.190 . . . 1.0 . . . . . . . . . . . . A . 13 ARG CB . . . . . . . . . c30642_6pv1 1 . 9 . 4294 . 1 1 13 ARG CD C -8.330 -6.432 2.904 . . . 1.0 . . . . . . . . . . . . A . 13 ARG CD . . . . . . . . . c30642_6pv1 1 . 9 . 4295 . 1 1 13 ARG CG C -7.089 -5.616 2.590 . . . 1.0 . . . . . . . . . . . . A . 13 ARG CG . . . . . . . . . c30642_6pv1 1 . 9 . 4296 . 1 1 13 ARG CZ C -9.539 -7.283 4.878 . . . 1.0 . . . . . . . . . . . . A . 13 ARG CZ . . . . . . . . . c30642_6pv1 1 . 9 . 4297 . 1 1 13 ARG H H -4.764 -4.161 4.475 . . . 1.0 . . . . . . . . . . . . A . 13 ARG H . . . . . . . . . c30642_6pv1 1 . 9 . 4298 . 1 1 13 ARG HA H -5.766 -3.374 1.823 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HA . . . . . . . . . c30642_6pv1 1 . 9 . 4299 . 1 1 13 ARG HB2 H -7.276 -4.319 4.260 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HB2 . . . . . . . . . c30642_6pv1 1 . 9 . 4300 . 1 1 13 ARG HB3 H -8.040 -3.729 2.789 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HB3 . . . . . . . . . c30642_6pv1 1 . 9 . 4301 . 1 1 13 ARG HD2 H -9.194 -5.914 2.512 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HD2 . . . . . . . . . c30642_6pv1 1 . 9 . 4302 . 1 1 13 ARG HD3 H -8.243 -7.397 2.425 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HD3 . . . . . . . . . c30642_6pv1 1 . 9 . 4303 . 1 1 13 ARG HE H -7.827 -6.251 4.942 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HE . . . . . . . . . c30642_6pv1 1 . 9 . 4304 . 1 1 13 ARG HG2 H -6.990 -5.528 1.518 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HG2 . . . . . . . . . c30642_6pv1 1 . 9 . 4305 . 1 1 13 ARG HG3 H -6.223 -6.121 2.993 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HG3 . . . . . . . . . c30642_6pv1 1 . 9 . 4306 . 1 1 13 ARG HH11 H -11.249 -8.305 4.501 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HH11 . . . . . . . . . c30642_6pv1 1 . 9 . 4307 . 1 1 13 ARG HH12 H -10.405 -7.726 3.101 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HH12 . . . . . . . . . c30642_6pv1 1 . 9 . 4308 . 1 1 13 ARG HH21 H -8.933 -7.002 6.793 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HH21 . . . . . . . . . c30642_6pv1 1 . 9 . 4309 . 1 1 13 ARG HH22 H -10.409 -7.896 6.601 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HH22 . . . . . . . . . c30642_6pv1 1 . 9 . 4310 . 1 1 13 ARG N N -4.751 -3.956 3.514 . . . 1.0 . . . . . . . . . . . . A . 13 ARG N . . . . . . . . . c30642_6pv1 1 . 9 . 4311 . 1 1 13 ARG NE N -8.511 -6.630 4.343 . . . 1.0 . . . . . . . . . . . . A . 13 ARG NE . . . . . . . . . c30642_6pv1 1 . 9 . 4312 . 1 1 13 ARG NH1 N -10.472 -7.812 4.097 . . . 1.0 . . . . . . . . . . . . A . 13 ARG NH1 . . . . . . . . . c30642_6pv1 1 . 9 . 4313 . 1 1 13 ARG NH2 N -9.636 -7.403 6.195 . . . 1.0 . . . . . . . . . . . . A . 13 ARG NH2 . . . . . . . . . c30642_6pv1 1 . 9 . 4314 . 1 1 13 ARG O O -5.865 -1.559 4.472 . . . 1.0 . . . . . . . . . . . . A . 13 ARG O . . . . . . . . . c30642_6pv1 1 . 9 . 4315 . 1 1 14 PHE C C -8.240 0.700 1.973 . . . 1.0 . . . . . . . . . . . . A . 14 PHE C . . . . . . . . . c30642_6pv1 1 . 9 . 4316 . 1 1 14 PHE CA C -6.940 0.286 2.653 . . . 1.0 . . . . . . . . . . . . A . 14 PHE CA . . . . . . . . . c30642_6pv1 1 . 9 . 4317 . 1 1 14 PHE CB C -5.794 1.142 2.102 . . . 1.0 . . . . . . . . . . . . A . 14 PHE CB . . . . . . . . . c30642_6pv1 1 . 9 . 4318 . 1 1 14 PHE CD1 C -3.966 1.277 3.799 . . . 1.0 . . . . . . . . . . . . A . 14 PHE CD1 . . . . . . . . . c30642_6pv1 1 . 9 . 4319 . 1 1 14 PHE CD2 C -3.670 -0.151 1.917 . . . 1.0 . . . . . . . . . . . . A . 14 PHE CD2 . . . . . . . . . c30642_6pv1 1 . 9 . 4320 . 1 1 14 PHE CE1 C -2.722 0.920 4.271 . . . 1.0 . . . . . . . . . . . . A . 14 PHE CE1 . . . . . . . . . c30642_6pv1 1 . 9 . 4321 . 1 1 14 PHE CE2 C -2.427 -0.514 2.383 . . . 1.0 . . . . . . . . . . . . A . 14 PHE CE2 . . . . . . . . . c30642_6pv1 1 . 9 . 4322 . 1 1 14 PHE CG C -4.450 0.747 2.619 . . . 1.0 . . . . . . . . . . . . A . 14 PHE CG . . . . . . . . . c30642_6pv1 1 . 9 . 4323 . 1 1 14 PHE CZ C -1.969 0.006 3.589 . . . 1.0 . . . . . . . . . . . . A . 14 PHE CZ . . . . . . . . . c30642_6pv1 1 . 9 . 4324 . 1 1 14 PHE H H -6.908 -1.501 1.531 . . . 1.0 . . . . . . . . . . . . A . 14 PHE H . . . . . . . . . c30642_6pv1 1 . 9 . 4325 . 1 1 14 PHE HA H -7.025 0.440 3.717 . . . 1.0 . . . . . . . . . . . . A . 14 PHE HA . . . . . . . . . c30642_6pv1 1 . 9 . 4326 . 1 1 14 PHE HB2 H -5.772 1.060 1.029 . . . 1.0 . . . . . . . . . . . . A . 14 PHE HB2 . . . . . . . . . c30642_6pv1 1 . 9 . 4327 . 1 1 14 PHE HB3 H -5.961 2.173 2.374 . . . 1.0 . . . . . . . . . . . . A . 14 PHE HB3 . . . . . . . . . c30642_6pv1 1 . 9 . 4328 . 1 1 14 PHE HD1 H -4.569 1.982 4.351 . . . 1.0 . . . . . . . . . . . . A . 14 PHE HD1 . . . . . . . . . c30642_6pv1 1 . 9 . 4329 . 1 1 14 PHE HD2 H -4.043 -0.569 0.996 . . . 1.0 . . . . . . . . . . . . A . 14 PHE HD2 . . . . . . . . . c30642_6pv1 1 . 9 . 4330 . 1 1 14 PHE HE1 H -2.351 1.341 5.196 . . . 1.0 . . . . . . . . . . . . A . 14 PHE HE1 . . . . . . . . . c30642_6pv1 1 . 9 . 4331 . 1 1 14 PHE HE2 H -1.826 -1.215 1.827 . . . 1.0 . . . . . . . . . . . . A . 14 PHE HE2 . . . . . . . . . c30642_6pv1 1 . 9 . 4332 . 1 1 14 PHE HZ H -1.000 -0.285 3.968 . . . 1.0 . . . . . . . . . . . . A . 14 PHE HZ . . . . . . . . . c30642_6pv1 1 . 9 . 4333 . 1 1 14 PHE N N -6.682 -1.128 2.412 . . . 1.0 . . . . . . . . . . . . A . 14 PHE N . . . . . . . . . c30642_6pv1 1 . 9 . 4334 . 1 1 14 PHE O O -8.797 -0.046 1.167 . . . 1.0 . . . . . . . . . . . . A . 14 PHE O . . . . . . . . . c30642_6pv1 1 . 9 . 4335 . 1 1 15 THR C C -9.536 3.778 1.014 . . . 1.0 . . . . . . . . . . . . A . 15 THR C . . . . . . . . . c30642_6pv1 1 . 9 . 4336 . 1 1 15 THR CA C -9.893 2.439 1.661 . . . 1.0 . . . . . . . . . . . . A . 15 THR CA . . . . . . . . . c30642_6pv1 1 . 9 . 4337 . 1 1 15 THR CB C -11.035 2.618 2.680 . . . 1.0 . . . . . . . . . . . . A . 15 THR CB . . . . . . . . . c30642_6pv1 1 . 9 . 4338 . 1 1 15 THR CG2 C -12.366 2.874 1.984 . . . 1.0 . . . . . . . . . . . . A . 15 THR CG2 . . . . . . . . . c30642_6pv1 1 . 9 . 4339 . 1 1 15 THR H H -8.297 2.385 3.033 . . . 1.0 . . . . . . . . . . . . A . 15 THR H . . . . . . . . . c30642_6pv1 1 . 9 . 4340 . 1 1 15 THR HA H -10.217 1.747 0.896 . . . 1.0 . . . . . . . . . . . . A . 15 THR HA . . . . . . . . . c30642_6pv1 1 . 9 . 4341 . 1 1 15 THR HB H -10.805 3.460 3.318 . . . 1.0 . . . . . . . . . . . . A . 15 THR HB . . . . . . . . . c30642_6pv1 1 . 9 . 4342 . 1 1 15 THR HG1 H -10.795 0.680 2.981 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG1 . . . . . . . . . c30642_6pv1 1 . 9 . 4343 . 1 1 15 THR HG21 H -12.624 2.021 1.375 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG21 . . . . . . . . . c30642_6pv1 1 . 9 . 4344 . 1 1 15 THR HG22 H -12.280 3.749 1.358 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG22 . . . . . . . . . c30642_6pv1 1 . 9 . 4345 . 1 1 15 THR HG23 H -13.135 3.034 2.724 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG23 . . . . . . . . . c30642_6pv1 1 . 9 . 4346 . 1 1 15 THR N N -8.725 1.880 2.311 . . . 1.0 . . . . . . . . . . . . A . 15 THR N . . . . . . . . . c30642_6pv1 1 . 9 . 4347 . 1 1 15 THR O O -10.358 4.414 0.356 . . . 1.0 . . . . . . . . . . . . A . 15 THR O . . . . . . . . . c30642_6pv1 1 . 9 . 4348 . 1 1 15 THR OG1 O -11.145 1.433 3.481 . . . 1.0 . . . . . . . . . . . . A . 15 THR OG1 . . . . . . . . . c30642_6pv1 1 . 9 . 4349 . 1 1 16 ARG C C -6.587 5.182 -0.258 . . . 1.0 . . . . . . . . . . . . A . 16 ARG C . . . . . . . . . c30642_6pv1 1 . 9 . 4350 . 1 1 16 ARG CA C -7.799 5.441 0.635 . . . 1.0 . . . . . . . . . . . . A . 16 ARG CA . . . . . . . . . c30642_6pv1 1 . 9 . 4351 . 1 1 16 ARG CB C -7.441 6.422 1.752 . . . 1.0 . . . . . . . . . . . . A . 16 ARG CB . . . . . . . . . c30642_6pv1 1 . 9 . 4352 . 1 1 16 ARG CD C -9.719 7.498 1.838 . . . 1.0 . . . . . . . . . . . . A . 16 ARG CD . . . . . . . . . c30642_6pv1 1 . 9 . 4353 . 1 1 16 ARG CG C -8.627 6.793 2.628 . . . 1.0 . . . . . . . . . . . . A . 16 ARG CG . . . . . . . . . c30642_6pv1 1 . 9 . 4354 . 1 1 16 ARG CZ C -11.876 8.606 2.297 . . . 1.0 . . . . . . . . . . . . A . 16 ARG CZ . . . . . . . . . c30642_6pv1 1 . 9 . 4355 . 1 1 16 ARG H H -7.684 3.655 1.751 . . . 1.0 . . . . . . . . . . . . A . 16 ARG H . . . . . . . . . c30642_6pv1 1 . 9 . 4356 . 1 1 16 ARG HA H -8.590 5.861 0.037 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HA . . . . . . . . . c30642_6pv1 1 . 9 . 4357 . 1 1 16 ARG HB2 H -6.687 5.972 2.380 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HB2 . . . . . . . . . c30642_6pv1 1 . 9 . 4358 . 1 1 16 ARG HB3 H -7.044 7.324 1.315 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HB3 . . . . . . . . . c30642_6pv1 1 . 9 . 4359 . 1 1 16 ARG HD2 H -9.327 8.429 1.456 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HD2 . . . . . . . . . c30642_6pv1 1 . 9 . 4360 . 1 1 16 ARG HD3 H -10.012 6.867 1.012 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HD3 . . . . . . . . . c30642_6pv1 1 . 9 . 4361 . 1 1 16 ARG HE H -10.962 7.318 3.526 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HE . . . . . . . . . c30642_6pv1 1 . 9 . 4362 . 1 1 16 ARG HG2 H -9.037 5.893 3.055 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HG2 . . . . . . . . . c30642_6pv1 1 . 9 . 4363 . 1 1 16 ARG HG3 H -8.286 7.446 3.418 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HG3 . . . . . . . . . c30642_6pv1 1 . 9 . 4364 . 1 1 16 ARG HH11 H -11.042 9.093 0.518 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HH11 . . . . . . . . . c30642_6pv1 1 . 9 . 4365 . 1 1 16 ARG HH12 H -12.559 9.860 0.859 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HH12 . . . . . . . . . c30642_6pv1 1 . 9 . 4366 . 1 1 16 ARG HH21 H -12.963 8.310 3.982 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HH21 . . . . . . . . . c30642_6pv1 1 . 9 . 4367 . 1 1 16 ARG HH22 H -13.653 9.422 2.841 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HH22 . . . . . . . . . c30642_6pv1 1 . 9 . 4368 . 1 1 16 ARG N N -8.289 4.197 1.206 . . . 1.0 . . . . . . . . . . . . A . 16 ARG N . . . . . . . . . c30642_6pv1 1 . 9 . 4369 . 1 1 16 ARG NE N -10.896 7.780 2.658 . . . 1.0 . . . . . . . . . . . . A . 16 ARG NE . . . . . . . . . c30642_6pv1 1 . 9 . 4370 . 1 1 16 ARG NH1 N -11.818 9.239 1.133 . . . 1.0 . . . . . . . . . . . . A . 16 ARG NH1 . . . . . . . . . c30642_6pv1 1 . 9 . 4371 . 1 1 16 ARG NH2 N -12.913 8.795 3.103 . . . 1.0 . . . . . . . . . . . . A . 16 ARG NH2 . . . . . . . . . c30642_6pv1 1 . 9 . 4372 . 1 1 16 ARG O O -5.650 4.469 0.122 . . . 1.0 . . . . . . . . . . . . A . 16 ARG O . . . . . . . . . c30642_6pv1 1 . 9 . 4373 . 1 1 17 SER C C -4.264 6.137 -2.087 . . . 1.0 . . . . . . . . . . . . A . 17 SER C . . . . . . . . . c30642_6pv1 1 . 9 . 4374 . 1 1 17 SER CA C -5.613 5.545 -2.472 . . . 1.0 . . . . . . . . . . . . A . 17 SER CA . . . . . . . . . c30642_6pv1 1 . 9 . 4375 . 1 1 17 SER CB C -6.095 6.140 -3.796 . . . 1.0 . . . . . . . . . . . . A . 17 SER CB . . . . . . . . . c30642_6pv1 1 . 9 . 4376 . 1 1 17 SER H H -7.349 6.408 -1.639 . . . 1.0 . . . . . . . . . . . . A . 17 SER H . . . . . . . . . c30642_6pv1 1 . 9 . 4377 . 1 1 17 SER HA H -5.501 4.477 -2.588 . . . 1.0 . . . . . . . . . . . . A . 17 SER HA . . . . . . . . . c30642_6pv1 1 . 9 . 4378 . 1 1 17 SER HB2 H -5.264 6.213 -4.480 . . . 1.0 . . . . . . . . . . . . A . 17 SER HB2 . . . . . . . . . c30642_6pv1 1 . 9 . 4379 . 1 1 17 SER HB3 H -6.858 5.501 -4.219 . . . 1.0 . . . . . . . . . . . . A . 17 SER HB3 . . . . . . . . . c30642_6pv1 1 . 9 . 4380 . 1 1 17 SER HG H -6.474 7.976 -4.378 . . . 1.0 . . . . . . . . . . . . A . 17 SER HG . . . . . . . . . c30642_6pv1 1 . 9 . 4381 . 1 1 17 SER N N -6.620 5.778 -1.445 . . . 1.0 . . . . . . . . . . . . A . 17 SER N . . . . . . . . . c30642_6pv1 1 . 9 . 4382 . 1 1 17 SER O O -3.217 5.541 -2.352 . . . 1.0 . . . . . . . . . . . . A . 17 SER O . . . . . . . . . c30642_6pv1 1 . 9 . 4383 . 1 1 17 SER OG O -6.642 7.434 -3.596 . . . 1.0 . . . . . . . . . . . . A . 17 SER OG . . . . . . . . . c30642_6pv1 1 . 9 . 4384 . 1 1 18 ASP C C -2.462 7.186 0.150 . . . 1.0 . . . . . . . . . . . . A . 18 ASP C . . . . . . . . . c30642_6pv1 1 . 9 . 4385 . 1 1 18 ASP CA C -3.066 7.960 -1.009 . . . 1.0 . . . . . . . . . . . . A . 18 ASP CA . . . . . . . . . c30642_6pv1 1 . 9 . 4386 . 1 1 18 ASP CB C -3.321 9.408 -0.581 . . . 1.0 . . . . . . . . . . . . A . 18 ASP CB . . . . . . . . . c30642_6pv1 1 . 9 . 4387 . 1 1 18 ASP CG C -3.735 10.298 -1.734 . . . 1.0 . . . . . . . . . . . . A . 18 ASP CG . . . . . . . . . c30642_6pv1 1 . 9 . 4388 . 1 1 18 ASP H H -5.158 7.753 -1.323 . . . 1.0 . . . . . . . . . . . . A . 18 ASP H . . . . . . . . . c30642_6pv1 1 . 9 . 4389 . 1 1 18 ASP HA H -2.366 7.955 -1.830 . . . 1.0 . . . . . . . . . . . . A . 18 ASP HA . . . . . . . . . c30642_6pv1 1 . 9 . 4390 . 1 1 18 ASP HB2 H -4.104 9.425 0.160 . . . 1.0 . . . . . . . . . . . . A . 18 ASP HB2 . . . . . . . . . c30642_6pv1 1 . 9 . 4391 . 1 1 18 ASP HB3 H -2.418 9.808 -0.150 . . . 1.0 . . . . . . . . . . . . A . 18 ASP HB3 . . . . . . . . . c30642_6pv1 1 . 9 . 4392 . 1 1 18 ASP N N -4.292 7.310 -1.465 . . . 1.0 . . . . . . . . . . . . A . 18 ASP N . . . . . . . . . c30642_6pv1 1 . 9 . 4393 . 1 1 18 ASP O O -1.248 7.198 0.354 . . . 1.0 . . . . . . . . . . . . A . 18 ASP O . . . . . . . . . c30642_6pv1 1 . 9 . 4394 . 1 1 18 ASP OD1 O -4.953 10.483 -1.947 . . . 1.0 . . . . . . . . . . . . A . 18 ASP OD1 . . . . . . . . . c30642_6pv1 1 . 9 . 4395 . 1 1 18 ASP OD2 O -2.844 10.813 -2.441 . . . 1.0 . . . . . . . . . . . . A . 18 ASP OD2 . . . . . . . . . c30642_6pv1 1 . 9 . 4396 . 1 1 19 GLU C C -2.166 4.455 1.493 . . . 1.0 . . . . . . . . . . . . A . 19 GLU C . . . . . . . . . c30642_6pv1 1 . 9 . 4397 . 1 1 19 GLU CA C -2.886 5.690 2.016 . . . 1.0 . . . . . . . . . . . . A . 19 GLU CA . . . . . . . . . c30642_6pv1 1 . 9 . 4398 . 1 1 19 GLU CB C -4.080 5.286 2.882 . . . 1.0 . . . . . . . . . . . . A . 19 GLU CB . . . . . . . . . c30642_6pv1 1 . 9 . 4399 . 1 1 19 GLU CD C -2.973 5.957 5.039 . . . 1.0 . . . . . . . . . . . . A . 19 GLU CD . . . . . . . . . c30642_6pv1 1 . 9 . 4400 . 1 1 19 GLU CG C -3.692 4.859 4.283 . . . 1.0 . . . . . . . . . . . . A . 19 GLU CG . . . . . . . . . c30642_6pv1 1 . 9 . 4401 . 1 1 19 GLU H H -4.275 6.560 0.688 . . . 1.0 . . . . . . . . . . . . A . 19 GLU H . . . . . . . . . c30642_6pv1 1 . 9 . 4402 . 1 1 19 GLU HA H -2.197 6.272 2.608 . . . 1.0 . . . . . . . . . . . . A . 19 GLU HA . . . . . . . . . c30642_6pv1 1 . 9 . 4403 . 1 1 19 GLU HB2 H -4.756 6.123 2.959 . . . 1.0 . . . . . . . . . . . . A . 19 GLU HB2 . . . . . . . . . c30642_6pv1 1 . 9 . 4404 . 1 1 19 GLU HB3 H -4.594 4.462 2.407 . . . 1.0 . . . . . . . . . . . . A . 19 GLU HB3 . . . . . . . . . c30642_6pv1 1 . 9 . 4405 . 1 1 19 GLU HG2 H -4.587 4.593 4.825 . . . 1.0 . . . . . . . . . . . . A . 19 GLU HG2 . . . . . . . . . c30642_6pv1 1 . 9 . 4406 . 1 1 19 GLU HG3 H -3.042 3.999 4.216 . . . 1.0 . . . . . . . . . . . . A . 19 GLU HG3 . . . . . . . . . c30642_6pv1 1 . 9 . 4407 . 1 1 19 GLU N N -3.322 6.507 0.898 . . . 1.0 . . . . . . . . . . . . A . 19 GLU N . . . . . . . . . c30642_6pv1 1 . 9 . 4408 . 1 1 19 GLU O O -1.086 4.105 1.973 . . . 1.0 . . . . . . . . . . . . A . 19 GLU O . . . . . . . . . c30642_6pv1 1 . 9 . 4409 . 1 1 19 GLU OE1 O -3.629 6.944 5.437 . . . 1.0 . . . . . . . . . . . . A . 19 GLU OE1 . . . . . . . . . c30642_6pv1 1 . 9 . 4410 . 1 1 19 GLU OE2 O -1.749 5.835 5.250 . . . 1.0 . . . . . . . . . . . . A . 19 GLU OE2 . . . . . . . . . c30642_6pv1 1 . 9 . 4411 . 1 1 20 LEU C C -0.804 3.147 -0.814 . . . 1.0 . . . . . . . . . . . . A . 20 LEU C . . . . . . . . . c30642_6pv1 1 . 9 . 4412 . 1 1 20 LEU CA C -2.117 2.693 -0.189 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CA . . . . . . . . . c30642_6pv1 1 . 9 . 4413 . 1 1 20 LEU CB C -3.035 2.110 -1.269 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CB . . . . . . . . . c30642_6pv1 1 . 9 . 4414 . 1 1 20 LEU CD1 C -1.991 -0.177 -1.401 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CD1 . . . . . . . . . c30642_6pv1 1 . 9 . 4415 . 1 1 20 LEU CD2 C -3.300 0.703 -3.337 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CD2 . . . . . . . . . c30642_6pv1 1 . 9 . 4416 . 1 1 20 LEU CG C -2.378 1.068 -2.185 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CG . . . . . . . . . c30642_6pv1 1 . 9 . 4417 . 1 1 20 LEU H H -3.671 4.075 0.223 . . . 1.0 . . . . . . . . . . . . A . 20 LEU H . . . . . . . . . c30642_6pv1 1 . 9 . 4418 . 1 1 20 LEU HA H -1.904 1.930 0.545 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HA . . . . . . . . . c30642_6pv1 1 . 9 . 4419 . 1 1 20 LEU HB2 H -3.881 1.648 -0.780 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HB2 . . . . . . . . . c30642_6pv1 1 . 9 . 4420 . 1 1 20 LEU HB3 H -3.393 2.921 -1.883 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HB3 . . . . . . . . . c30642_6pv1 1 . 9 . 4421 . 1 1 20 LEU HD11 H -1.255 0.082 -0.654 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD11 . . . . . . . . . c30642_6pv1 1 . 9 . 4422 . 1 1 20 LEU HD12 H -1.577 -0.913 -2.074 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD12 . . . . . . . . . c30642_6pv1 1 . 9 . 4423 . 1 1 20 LEU HD13 H -2.865 -0.584 -0.918 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD13 . . . . . . . . . c30642_6pv1 1 . 9 . 4424 . 1 1 20 LEU HD21 H -4.176 0.204 -2.954 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD21 . . . . . . . . . c30642_6pv1 1 . 9 . 4425 . 1 1 20 LEU HD22 H -2.780 0.045 -4.018 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD22 . . . . . . . . . c30642_6pv1 1 . 9 . 4426 . 1 1 20 LEU HD23 H -3.596 1.601 -3.859 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD23 . . . . . . . . . c30642_6pv1 1 . 9 . 4427 . 1 1 20 LEU HG H -1.474 1.489 -2.601 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HG . . . . . . . . . c30642_6pv1 1 . 9 . 4428 . 1 1 20 LEU N N -2.765 3.806 0.495 . . . 1.0 . . . . . . . . . . . . A . 20 LEU N . . . . . . . . . c30642_6pv1 1 . 9 . 4429 . 1 1 20 LEU O O 0.188 2.434 -0.767 . . . 1.0 . . . . . . . . . . . . A . 20 LEU O . . . . . . . . . c30642_6pv1 1 . 9 . 4430 . 1 1 21 GLN C C 1.501 5.057 -0.959 . . . 1.0 . . . . . . . . . . . . A . 21 GLN C . . . . . . . . . c30642_6pv1 1 . 9 . 4431 . 1 1 21 GLN CA C 0.388 4.918 -1.997 . . . 1.0 . . . . . . . . . . . . A . 21 GLN CA . . . . . . . . . c30642_6pv1 1 . 9 . 4432 . 1 1 21 GLN CB C 0.065 6.279 -2.610 . . . 1.0 . . . . . . . . . . . . A . 21 GLN CB . . . . . . . . . c30642_6pv1 1 . 9 . 4433 . 1 1 21 GLN CD C 0.923 8.351 -3.755 . . . 1.0 . . . . . . . . . . . . A . 21 GLN CD . . . . . . . . . c30642_6pv1 1 . 9 . 4434 . 1 1 21 GLN CG C 1.285 7.032 -3.109 . . . 1.0 . . . . . . . . . . . . A . 21 GLN CG . . . . . . . . . c30642_6pv1 1 . 9 . 4435 . 1 1 21 GLN H H -1.658 4.842 -1.442 . . . 1.0 . . . . . . . . . . . . A . 21 GLN H . . . . . . . . . c30642_6pv1 1 . 9 . 4436 . 1 1 21 GLN HA H 0.721 4.249 -2.777 . . . 1.0 . . . . . . . . . . . . A . 21 GLN HA . . . . . . . . . c30642_6pv1 1 . 9 . 4437 . 1 1 21 GLN HB2 H -0.607 6.136 -3.444 . . . 1.0 . . . . . . . . . . . . A . 21 GLN HB2 . . . . . . . . . c30642_6pv1 1 . 9 . 4438 . 1 1 21 GLN HB3 H -0.426 6.889 -1.866 . . . 1.0 . . . . . . . . . . . . A . 21 GLN HB3 . . . . . . . . . c30642_6pv1 1 . 9 . 4439 . 1 1 21 GLN HE21 H 0.790 7.467 -5.528 . . . 1.0 . . . . . . . . . . . . A . 21 GLN HE21 . . . . . . . . . c30642_6pv1 1 . 9 . 4440 . 1 1 21 GLN HE22 H 0.454 9.165 -5.502 . . . 1.0 . . . . . . . . . . . . A . 21 GLN HE22 . . . . . . . . . c30642_6pv1 1 . 9 . 4441 . 1 1 21 GLN HG2 H 1.940 7.225 -2.273 . . . 1.0 . . . . . . . . . . . . A . 21 GLN HG2 . . . . . . . . . c30642_6pv1 1 . 9 . 4442 . 1 1 21 GLN HG3 H 1.799 6.421 -3.835 . . . 1.0 . . . . . . . . . . . . A . 21 GLN HG3 . . . . . . . . . c30642_6pv1 1 . 9 . 4443 . 1 1 21 GLN N N -0.814 4.340 -1.400 . . . 1.0 . . . . . . . . . . . . A . 21 GLN N . . . . . . . . . c30642_6pv1 1 . 9 . 4444 . 1 1 21 GLN NE2 N 0.703 8.327 -5.058 . . . 1.0 . . . . . . . . . . . . A . 21 GLN NE2 . . . . . . . . . c30642_6pv1 1 . 9 . 4445 . 1 1 21 GLN O O 2.642 4.633 -1.188 . . . 1.0 . . . . . . . . . . . . A . 21 GLN O . . . . . . . . . c30642_6pv1 1 . 9 . 4446 . 1 1 21 GLN OE1 O 0.847 9.383 -3.086 . . . 1.0 . . . . . . . . . . . . A . 21 GLN OE1 . . . . . . . . . c30642_6pv1 1 . 9 . 4447 . 1 1 22 ARG C C 2.637 4.407 1.666 . . . 1.0 . . . . . . . . . . . . A . 22 ARG C . . . . . . . . . c30642_6pv1 1 . 9 . 4448 . 1 1 22 ARG CA C 2.094 5.775 1.292 . . . 1.0 . . . . . . . . . . . . A . 22 ARG CA . . . . . . . . . c30642_6pv1 1 . 9 . 4449 . 1 1 22 ARG CB C 1.405 6.406 2.502 . . . 1.0 . . . . . . . . . . . . A . 22 ARG CB . . . . . . . . . c30642_6pv1 1 . 9 . 4450 . 1 1 22 ARG CD C 1.520 7.018 4.932 . . . 1.0 . . . . . . . . . . . . A . 22 ARG CD . . . . . . . . . c30642_6pv1 1 . 9 . 4451 . 1 1 22 ARG CG C 2.247 6.372 3.769 . . . 1.0 . . . . . . . . . . . . A . 22 ARG CG . . . . . . . . . c30642_6pv1 1 . 9 . 4452 . 1 1 22 ARG CZ C 0.233 9.123 4.895 . . . 1.0 . . . . . . . . . . . . A . 22 ARG CZ . . . . . . . . . c30642_6pv1 1 . 9 . 4453 . 1 1 22 ARG H H 0.251 6.012 0.280 . . . 1.0 . . . . . . . . . . . . A . 22 ARG H . . . . . . . . . c30642_6pv1 1 . 9 . 4454 . 1 1 22 ARG HA H 2.910 6.406 0.977 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HA . . . . . . . . . c30642_6pv1 1 . 9 . 4455 . 1 1 22 ARG HB2 H 1.175 7.436 2.274 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HB2 . . . . . . . . . c30642_6pv1 1 . 9 . 4456 . 1 1 22 ARG HB3 H 0.485 5.876 2.693 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HB3 . . . . . . . . . c30642_6pv1 1 . 9 . 4457 . 1 1 22 ARG HD2 H 0.539 6.575 5.019 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HD2 . . . . . . . . . c30642_6pv1 1 . 9 . 4458 . 1 1 22 ARG HD3 H 2.079 6.833 5.837 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HD3 . . . . . . . . . c30642_6pv1 1 . 9 . 4459 . 1 1 22 ARG HE H 2.192 8.963 4.518 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HE . . . . . . . . . c30642_6pv1 1 . 9 . 4460 . 1 1 22 ARG HG2 H 2.465 5.344 4.017 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HG2 . . . . . . . . . c30642_6pv1 1 . 9 . 4461 . 1 1 22 ARG HG3 H 3.171 6.904 3.592 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HG3 . . . . . . . . . c30642_6pv1 1 . 9 . 4462 . 1 1 22 ARG HH11 H -1.751 8.984 5.282 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HH11 . . . . . . . . . c30642_6pv1 1 . 9 . 4463 . 1 1 22 ARG HH12 H -0.897 7.472 5.270 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HH12 . . . . . . . . . c30642_6pv1 1 . 9 . 4464 . 1 1 22 ARG HH21 H -0.642 10.946 4.854 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HH21 . . . . . . . . . c30642_6pv1 1 . 9 . 4465 . 1 1 22 ARG HH22 H 1.060 10.932 4.522 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HH22 . . . . . . . . . c30642_6pv1 1 . 9 . 4466 . 1 1 22 ARG N N 1.159 5.651 0.182 . . . 1.0 . . . . . . . . . . . . A . 22 ARG N . . . . . . . . . c30642_6pv1 1 . 9 . 4467 . 1 1 22 ARG NE N 1.376 8.459 4.748 . . . 1.0 . . . . . . . . . . . . A . 22 ARG NE . . . . . . . . . c30642_6pv1 1 . 9 . 4468 . 1 1 22 ARG NH1 N -0.894 8.477 5.172 . . . 1.0 . . . . . . . . . . . . A . 22 ARG NH1 . . . . . . . . . c30642_6pv1 1 . 9 . 4469 . 1 1 22 ARG NH2 N 0.214 10.439 4.744 . . . 1.0 . . . . . . . . . . . . A . 22 ARG NH2 . . . . . . . . . c30642_6pv1 1 . 9 . 4470 . 1 1 22 ARG O O 3.848 4.211 1.766 . . . 1.0 . . . . . . . . . . . . A . 22 ARG O . . . . . . . . . c30642_6pv1 1 . 9 . 4471 . 1 1 23 HIS C C 3.033 1.499 1.140 . . . 1.0 . . . . . . . . . . . . A . 23 HIS C . . . . . . . . . c30642_6pv1 1 . 9 . 4472 . 1 1 23 HIS CA C 2.083 2.101 2.181 . . . 1.0 . . . . . . . . . . . . A . 23 HIS CA . . . . . . . . . c30642_6pv1 1 . 9 . 4473 . 1 1 23 HIS CB C 0.816 1.252 2.311 . . . 1.0 . . . . . . . . . . . . A . 23 HIS CB . . . . . . . . . c30642_6pv1 1 . 9 . 4474 . 1 1 23 HIS CD2 C 1.378 -1.108 1.495 . . . 1.0 . . . . . . . . . . . . A . 23 HIS CD2 . . . . . . . . . c30642_6pv1 1 . 9 . 4475 . 1 1 23 HIS CE1 C 1.586 -2.136 3.399 . . . 1.0 . . . . . . . . . . . . A . 23 HIS CE1 . . . . . . . . . c30642_6pv1 1 . 9 . 4476 . 1 1 23 HIS CG C 1.103 -0.202 2.456 . . . 1.0 . . . . . . . . . . . . A . 23 HIS CG . . . . . . . . . c30642_6pv1 1 . 9 . 4477 . 1 1 23 HIS H H 0.774 3.690 1.720 . . . 1.0 . . . . . . . . . . . . A . 23 HIS H . . . . . . . . . c30642_6pv1 1 . 9 . 4478 . 1 1 23 HIS HA H 2.586 2.126 3.135 . . . 1.0 . . . . . . . . . . . . A . 23 HIS HA . . . . . . . . . c30642_6pv1 1 . 9 . 4479 . 1 1 23 HIS HB2 H 0.259 1.573 3.176 . . . 1.0 . . . . . . . . . . . . A . 23 HIS HB2 . . . . . . . . . c30642_6pv1 1 . 9 . 4480 . 1 1 23 HIS HB3 H 0.210 1.386 1.427 . . . 1.0 . . . . . . . . . . . . A . 23 HIS HB3 . . . . . . . . . c30642_6pv1 1 . 9 . 4481 . 1 1 23 HIS HD1 H 1.087 -0.484 4.563 . . . 1.0 . . . . . . . . . . . . A . 23 HIS HD1 . . . . . . . . . c30642_6pv1 1 . 9 . 4482 . 1 1 23 HIS HD2 H 1.342 -0.942 0.430 . . . 1.0 . . . . . . . . . . . . A . 23 HIS HD2 . . . . . . . . . c30642_6pv1 1 . 9 . 4483 . 1 1 23 HIS HE1 H 1.753 -2.906 4.135 . . . 1.0 . . . . . . . . . . . . A . 23 HIS HE1 . . . . . . . . . c30642_6pv1 1 . 9 . 4484 . 1 1 23 HIS N N 1.725 3.463 1.834 . . . 1.0 . . . . . . . . . . . . A . 23 HIS N . . . . . . . . . c30642_6pv1 1 . 9 . 4485 . 1 1 23 HIS ND1 N 1.226 -0.870 3.670 . . . 1.0 . . . . . . . . . . . . A . 23 HIS ND1 . . . . . . . . . c30642_6pv1 1 . 9 . 4486 . 1 1 23 HIS NE2 N 1.684 -2.291 2.104 . . . 1.0 . . . . . . . . . . . . A . 23 HIS NE2 . . . . . . . . . c30642_6pv1 1 . 9 . 4487 . 1 1 23 HIS O O 3.981 0.798 1.484 . . . 1.0 . . . . . . . . . . . . A . 23 HIS O . . . . . . . . . c30642_6pv1 1 . 9 . 4488 . 1 1 24 LYS C C 5.044 1.848 -1.037 . . . 1.0 . . . . . . . . . . . . A . 24 LYS C . . . . . . . . . c30642_6pv1 1 . 9 . 4489 . 1 1 24 LYS CA C 3.639 1.288 -1.199 . . . 1.0 . . . . . . . . . . . . A . 24 LYS CA . . . . . . . . . c30642_6pv1 1 . 9 . 4490 . 1 1 24 LYS CB C 3.083 1.663 -2.575 . . . 1.0 . . . . . . . . . . . . A . 24 LYS CB . . . . . . . . . c30642_6pv1 1 . 9 . 4491 . 1 1 24 LYS CD C 2.134 -0.608 -3.092 . . . 1.0 . . . . . . . . . . . . A . 24 LYS CD . . . . . . . . . c30642_6pv1 1 . 9 . 4492 . 1 1 24 LYS CE C 0.988 -1.358 -3.747 . . . 1.0 . . . . . . . . . . . . A . 24 LYS CE . . . . . . . . . c30642_6pv1 1 . 9 . 4493 . 1 1 24 LYS CG C 1.842 0.881 -2.983 . . . 1.0 . . . . . . . . . . . . A . 24 LYS CG . . . . . . . . . c30642_6pv1 1 . 9 . 4494 . 1 1 24 LYS H H 1.975 2.296 -0.355 . . . 1.0 . . . . . . . . . . . . A . 24 LYS H . . . . . . . . . c30642_6pv1 1 . 9 . 4495 . 1 1 24 LYS HA H 3.689 0.214 -1.122 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HA . . . . . . . . . c30642_6pv1 1 . 9 . 4496 . 1 1 24 LYS HB2 H 2.832 2.713 -2.573 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HB2 . . . . . . . . . c30642_6pv1 1 . 9 . 4497 . 1 1 24 LYS HB3 H 3.848 1.489 -3.316 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HB3 . . . . . . . . . c30642_6pv1 1 . 9 . 4498 . 1 1 24 LYS HD2 H 3.026 -0.748 -3.682 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HD2 . . . . . . . . . c30642_6pv1 1 . 9 . 4499 . 1 1 24 LYS HD3 H 2.290 -1.005 -2.100 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HD3 . . . . . . . . . c30642_6pv1 1 . 9 . 4500 . 1 1 24 LYS HE2 H 0.105 -1.248 -3.136 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HE2 . . . . . . . . . c30642_6pv1 1 . 9 . 4501 . 1 1 24 LYS HE3 H 0.805 -0.931 -4.722 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HE3 . . . . . . . . . c30642_6pv1 1 . 9 . 4502 . 1 1 24 LYS HG2 H 1.072 1.032 -2.242 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HG2 . . . . . . . . . c30642_6pv1 1 . 9 . 4503 . 1 1 24 LYS HG3 H 1.498 1.242 -3.940 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HG3 . . . . . . . . . c30642_6pv1 1 . 9 . 4504 . 1 1 24 LYS HZ1 H 1.442 -3.242 -2.971 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HZ1 . . . . . . . . . c30642_6pv1 1 . 9 . 4505 . 1 1 24 LYS HZ2 H 2.152 -2.931 -4.474 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HZ2 . . . . . . . . . c30642_6pv1 1 . 9 . 4506 . 1 1 24 LYS HZ3 H 0.504 -3.290 -4.378 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HZ3 . . . . . . . . . c30642_6pv1 1 . 9 . 4507 . 1 1 24 LYS N N 2.773 1.768 -0.131 . . . 1.0 . . . . . . . . . . . . A . 24 LYS N . . . . . . . . . c30642_6pv1 1 . 9 . 4508 . 1 1 24 LYS NZ N 1.293 -2.805 -3.901 . . . 1.0 . . . . . . . . . . . . A . 24 LYS NZ . . . . . . . . . c30642_6pv1 1 . 9 . 4509 . 1 1 24 LYS O O 6.034 1.175 -1.345 . . . 1.0 . . . . . . . . . . . . A . 24 LYS O . . . . . . . . . c30642_6pv1 1 . 9 . 4510 . 1 1 25 ARG C C 7.155 2.999 0.875 . . . 1.0 . . . . . . . . . . . . A . 25 ARG C . . . . . . . . . c30642_6pv1 1 . 9 . 4511 . 1 1 25 ARG CA C 6.424 3.696 -0.270 . . . 1.0 . . . . . . . . . . . . A . 25 ARG CA . . . . . . . . . c30642_6pv1 1 . 9 . 4512 . 1 1 25 ARG CB C 6.248 5.182 0.033 . . . 1.0 . . . . . . . . . . . . A . 25 ARG CB . . . . . . . . . c30642_6pv1 1 . 9 . 4513 . 1 1 25 ARG CD C 5.519 7.440 -0.804 . . . 1.0 . . . . . . . . . . . . A . 25 ARG CD . . . . . . . . . c30642_6pv1 1 . 9 . 4514 . 1 1 25 ARG CG C 5.595 5.953 -1.103 . . . 1.0 . . . . . . . . . . . . A . 25 ARG CG . . . . . . . . . c30642_6pv1 1 . 9 . 4515 . 1 1 25 ARG CZ C 4.779 9.507 -1.941 . . . 1.0 . . . . . . . . . . . . A . 25 ARG CZ . . . . . . . . . c30642_6pv1 1 . 9 . 4516 . 1 1 25 ARG H H 4.304 3.555 -0.272 . . . 1.0 . . . . . . . . . . . . A . 25 ARG H . . . . . . . . . c30642_6pv1 1 . 9 . 4517 . 1 1 25 ARG HA H 7.011 3.588 -1.169 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HA . . . . . . . . . c30642_6pv1 1 . 9 . 4518 . 1 1 25 ARG HB2 H 5.631 5.289 0.913 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HB2 . . . . . . . . . c30642_6pv1 1 . 9 . 4519 . 1 1 25 ARG HB3 H 7.217 5.618 0.225 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HB3 . . . . . . . . . c30642_6pv1 1 . 9 . 4520 . 1 1 25 ARG HD2 H 4.918 7.587 0.080 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HD2 . . . . . . . . . c30642_6pv1 1 . 9 . 4521 . 1 1 25 ARG HD3 H 6.518 7.811 -0.627 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HD3 . . . . . . . . . c30642_6pv1 1 . 9 . 4522 . 1 1 25 ARG HE H 4.623 7.660 -2.691 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HE . . . . . . . . . c30642_6pv1 1 . 9 . 4523 . 1 1 25 ARG HG2 H 6.170 5.804 -2.004 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HG2 . . . . . . . . . c30642_6pv1 1 . 9 . 4524 . 1 1 25 ARG HG3 H 4.594 5.574 -1.249 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HG3 . . . . . . . . . c30642_6pv1 1 . 9 . 4525 . 1 1 25 ARG HH11 H 5.054 11.243 -0.935 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HH11 . . . . . . . . . c30642_6pv1 1 . 9 . 4526 . 1 1 25 ARG HH12 H 5.569 9.814 -0.101 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HH12 . . . . . . . . . c30642_6pv1 1 . 9 . 4527 . 1 1 25 ARG HH21 H 3.945 9.530 -3.787 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HH21 . . . . . . . . . c30642_6pv1 1 . 9 . 4528 . 1 1 25 ARG HH22 H 4.135 11.083 -3.038 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HH22 . . . . . . . . . c30642_6pv1 1 . 9 . 4529 . 1 1 25 ARG N N 5.133 3.066 -0.513 . . . 1.0 . . . . . . . . . . . . A . 25 ARG N . . . . . . . . . c30642_6pv1 1 . 9 . 4530 . 1 1 25 ARG NE N 4.923 8.182 -1.913 . . . 1.0 . . . . . . . . . . . . A . 25 ARG NE . . . . . . . . . c30642_6pv1 1 . 9 . 4531 . 1 1 25 ARG NH1 N 5.165 10.247 -0.911 . . . 1.0 . . . . . . . . . . . . A . 25 ARG NH1 . . . . . . . . . c30642_6pv1 1 . 9 . 4532 . 1 1 25 ARG NH2 N 4.239 10.087 -3.004 . . . 1.0 . . . . . . . . . . . . A . 25 ARG NH2 . . . . . . . . . c30642_6pv1 1 . 9 . 4533 . 1 1 25 ARG O O 8.333 3.247 1.116 . . . 1.0 . . . . . . . . . . . . A . 25 ARG O . . . . . . . . . c30642_6pv1 1 . 9 . 4534 . 1 1 26 THR C C 7.728 0.086 2.037 . . . 1.0 . . . . . . . . . . . . A . 26 THR C . . . . . . . . . c30642_6pv1 1 . 9 . 4535 . 1 1 26 THR CA C 7.032 1.319 2.630 . . . 1.0 . . . . . . . . . . . . A . 26 THR CA . . . . . . . . . c30642_6pv1 1 . 9 . 4536 . 1 1 26 THR CB C 5.959 0.892 3.652 . . . 1.0 . . . . . . . . . . . . A . 26 THR CB . . . . . . . . . c30642_6pv1 1 . 9 . 4537 . 1 1 26 THR CG2 C 6.592 0.303 4.901 . . . 1.0 . . . . . . . . . . . . A . 26 THR CG2 . . . . . . . . . c30642_6pv1 1 . 9 . 4538 . 1 1 26 THR H H 5.486 2.017 1.377 . . . 1.0 . . . . . . . . . . . . A . 26 THR H . . . . . . . . . c30642_6pv1 1 . 9 . 4539 . 1 1 26 THR HA H 7.768 1.926 3.139 . . . 1.0 . . . . . . . . . . . . A . 26 THR HA . . . . . . . . . c30642_6pv1 1 . 9 . 4540 . 1 1 26 THR HB H 5.323 0.147 3.198 . . . 1.0 . . . . . . . . . . . . A . 26 THR HB . . . . . . . . . c30642_6pv1 1 . 9 . 4541 . 1 1 26 THR HG1 H 5.527 2.822 3.597 . . . 1.0 . . . . . . . . . . . . A . 26 THR HG1 . . . . . . . . . c30642_6pv1 1 . 9 . 4542 . 1 1 26 THR HG21 H 7.222 1.044 5.368 . . . 1.0 . . . . . . . . . . . . A . 26 THR HG21 . . . . . . . . . c30642_6pv1 1 . 9 . 4543 . 1 1 26 THR HG22 H 7.187 -0.557 4.631 . . . 1.0 . . . . . . . . . . . . A . 26 THR HG22 . . . . . . . . . c30642_6pv1 1 . 9 . 4544 . 1 1 26 THR HG23 H 5.817 0.002 5.589 . . . 1.0 . . . . . . . . . . . . A . 26 THR HG23 . . . . . . . . . c30642_6pv1 1 . 9 . 4545 . 1 1 26 THR N N 6.444 2.123 1.574 . . . 1.0 . . . . . . . . . . . . A . 26 THR N . . . . . . . . . c30642_6pv1 1 . 9 . 4546 . 1 1 26 THR O O 8.600 -0.517 2.666 . . . 1.0 . . . . . . . . . . . . A . 26 THR O . . . . . . . . . c30642_6pv1 1 . 9 . 4547 . 1 1 26 THR OG1 O 5.165 2.031 4.017 . . . 1.0 . . . . . . . . . . . . A . 26 THR OG1 . . . . . . . . . c30642_6pv1 1 . 9 . 4548 . 1 1 27 HIS C C 9.143 -0.722 -0.760 . . . 1.0 . . . . . . . . . . . . A . 27 HIS C . . . . . . . . . c30642_6pv1 1 . 9 . 4549 . 1 1 27 HIS CA C 8.044 -1.343 0.090 . . . 1.0 . . . . . . . . . . . . A . 27 HIS CA . . . . . . . . . c30642_6pv1 1 . 9 . 4550 . 1 1 27 HIS CB C 7.099 -2.145 -0.817 . . . 1.0 . . . . . . . . . . . . A . 27 HIS CB . . . . . . . . . c30642_6pv1 1 . 9 . 4551 . 1 1 27 HIS CD2 C 4.721 -2.727 -0.008 . . . 1.0 . . . . . . . . . . . . A . 27 HIS CD2 . . . . . . . . . c30642_6pv1 1 . 9 . 4552 . 1 1 27 HIS CE1 C 5.121 -4.582 1.063 . . . 1.0 . . . . . . . . . . . . A . 27 HIS CE1 . . . . . . . . . c30642_6pv1 1 . 9 . 4553 . 1 1 27 HIS CG C 6.054 -2.943 -0.099 . . . 1.0 . . . . . . . . . . . . A . 27 HIS CG . . . . . . . . . c30642_6pv1 1 . 9 . 4554 . 1 1 27 HIS H H 6.577 0.163 0.392 . . . 1.0 . . . . . . . . . . . . A . 27 HIS H . . . . . . . . . c30642_6pv1 1 . 9 . 4555 . 1 1 27 HIS HA H 8.493 -2.005 0.815 . . . 1.0 . . . . . . . . . . . . A . 27 HIS HA . . . . . . . . . c30642_6pv1 1 . 9 . 4556 . 1 1 27 HIS HB2 H 6.586 -1.459 -1.475 . . . 1.0 . . . . . . . . . . . . A . 27 HIS HB2 . . . . . . . . . c30642_6pv1 1 . 9 . 4557 . 1 1 27 HIS HB3 H 7.686 -2.831 -1.413 . . . 1.0 . . . . . . . . . . . . A . 27 HIS HB3 . . . . . . . . . c30642_6pv1 1 . 9 . 4558 . 1 1 27 HIS HD1 H 7.178 -4.559 0.712 . . . 1.0 . . . . . . . . . . . . A . 27 HIS HD1 . . . . . . . . . c30642_6pv1 1 . 9 . 4559 . 1 1 27 HIS HD2 H 4.177 -1.899 -0.435 . . . 1.0 . . . . . . . . . . . . A . 27 HIS HD2 . . . . . . . . . c30642_6pv1 1 . 9 . 4560 . 1 1 27 HIS HE1 H 4.983 -5.492 1.630 . . . 1.0 . . . . . . . . . . . . A . 27 HIS HE1 . . . . . . . . . c30642_6pv1 1 . 9 . 4561 . 1 1 27 HIS N N 7.343 -0.287 0.815 . . . 1.0 . . . . . . . . . . . . A . 27 HIS N . . . . . . . . . c30642_6pv1 1 . 9 . 4562 . 1 1 27 HIS ND1 N 6.299 -4.128 0.592 . . . 1.0 . . . . . . . . . . . . A . 27 HIS ND1 . . . . . . . . . c30642_6pv1 1 . 9 . 4563 . 1 1 27 HIS NE2 N 4.167 -3.761 0.716 . . . 1.0 . . . . . . . . . . . . A . 27 HIS NE2 . . . . . . . . . c30642_6pv1 1 . 9 . 4564 . 1 1 27 HIS O O 10.221 -1.291 -0.929 . . . 1.0 . . . . . . . . . . . . A . 27 HIS O . . . . . . . . . c30642_6pv1 1 . 9 . 4565 . 1 1 28 THR C C 10.614 2.177 -1.253 . . . 1.0 . . . . . . . . . . . . A . 28 THR C . . . . . . . . . c30642_6pv1 1 . 9 . 4566 . 1 1 28 THR CA C 9.808 1.195 -2.102 . . . 1.0 . . . . . . . . . . . . A . 28 THR CA . . . . . . . . . c30642_6pv1 1 . 9 . 4567 . 1 1 28 THR CB C 9.082 1.950 -3.232 . . . 1.0 . . . . . . . . . . . . A . 28 THR CB . . . . . . . . . c30642_6pv1 1 . 9 . 4568 . 1 1 28 THR CG2 C 8.598 0.986 -4.306 . . . 1.0 . . . . . . . . . . . . A . 28 THR CG2 . . . . . . . . . c30642_6pv1 1 . 9 . 4569 . 1 1 28 THR H H 7.976 0.857 -1.116 . . . 1.0 . . . . . . . . . . . . A . 28 THR H . . . . . . . . . c30642_6pv1 1 . 9 . 4570 . 1 1 28 THR HA H 10.485 0.480 -2.548 . . . 1.0 . . . . . . . . . . . . A . 28 THR HA . . . . . . . . . c30642_6pv1 1 . 9 . 4571 . 1 1 28 THR HB H 9.772 2.649 -3.679 . . . 1.0 . . . . . . . . . . . . A . 28 THR HB . . . . . . . . . c30642_6pv1 1 . 9 . 4572 . 1 1 28 THR HG1 H 7.208 2.073 -2.617 . . . 1.0 . . . . . . . . . . . . A . 28 THR HG1 . . . . . . . . . c30642_6pv1 1 . 9 . 4573 . 1 1 28 THR HG21 H 9.447 0.501 -4.765 . . . 1.0 . . . . . . . . . . . . A . 28 THR HG21 . . . . . . . . . c30642_6pv1 1 . 9 . 4574 . 1 1 28 THR HG22 H 8.046 1.532 -5.057 . . . 1.0 . . . . . . . . . . . . A . 28 THR HG22 . . . . . . . . . c30642_6pv1 1 . 9 . 4575 . 1 1 28 THR HG23 H 7.957 0.240 -3.859 . . . 1.0 . . . . . . . . . . . . A . 28 THR HG23 . . . . . . . . . c30642_6pv1 1 . 9 . 4576 . 1 1 28 THR N N 8.859 0.463 -1.283 . . . 1.0 . . . . . . . . . . . . A . 28 THR N . . . . . . . . . c30642_6pv1 1 . 9 . 4577 . 1 1 28 THR O O 10.940 3.283 -1.687 . . . 1.0 . . . . . . . . . . . . A . 28 THR O . . . . . . . . . c30642_6pv1 1 . 9 . 4578 . 1 1 28 THR OG1 O 7.962 2.672 -2.701 . . . 1.0 . . . . . . . . . . . . A . 28 THR OG1 . . . . . . . . . c30642_6pv1 1 . 9 . 4579 . 1 1 29 GLY C C 11.765 1.992 2.251 . . . 1.0 . . . . . . . . . . . . A . 29 GLY C . . . . . . . . . c30642_6pv1 1 . 9 . 4580 . 1 1 29 GLY CA C 11.694 2.591 0.864 . . . 1.0 . . . . . . . . . . . . A . 29 GLY CA . . . . . . . . . c30642_6pv1 1 . 9 . 4581 . 1 1 29 GLY H H 10.607 0.885 0.269 . . . 1.0 . . . . . . . . . . . . A . 29 GLY H . . . . . . . . . c30642_6pv1 1 . 9 . 4582 . 1 1 29 GLY HA2 H 12.695 2.693 0.470 . . . 1.0 . . . . . . . . . . . . A . 29 GLY HA2 . . . . . . . . . c30642_6pv1 1 . 9 . 4583 . 1 1 29 GLY HA3 H 11.238 3.568 0.926 . . . 1.0 . . . . . . . . . . . . A . 29 GLY HA3 . . . . . . . . . c30642_6pv1 1 . 9 . 4584 . 1 1 29 GLY N N 10.919 1.765 -0.032 . . . 1.0 . . . . . . . . . . . . A . 29 GLY N . . . . . . . . . c30642_6pv1 1 . 9 . 4585 . 1 1 29 GLY O O 10.938 1.153 2.609 . . . 1.0 . . . . . . . . . . . . A . 29 GLY O . . . . . . . . . c30642_6pv1 1 . 9 . 4586 . 1 1 30 GLU C C 12.986 3.052 5.377 . . . 1.0 . . . . . . . . . . . . A . 30 GLU C . . . . . . . . . c30642_6pv1 1 . 9 . 4587 . 1 1 30 GLU CA C 12.919 1.901 4.381 . . . 1.0 . . . . . . . . . . . . A . 30 GLU CA . . . . . . . . . c30642_6pv1 1 . 9 . 4588 . 1 1 30 GLU CB C 14.184 1.047 4.479 . . . 1.0 . . . . . . . . . . . . A . 30 GLU CB . . . . . . . . . c30642_6pv1 1 . 9 . 4589 . 1 1 30 GLU CD C 15.483 -0.930 3.602 . . . 1.0 . . . . . . . . . . . . A . 30 GLU CD . . . . . . . . . c30642_6pv1 1 . 9 . 4590 . 1 1 30 GLU CG C 14.196 -0.140 3.527 . . . 1.0 . . . . . . . . . . . . A . 30 GLU CG . . . . . . . . . c30642_6pv1 1 . 9 . 4591 . 1 1 30 GLU H H 13.389 3.071 2.680 . . . 1.0 . . . . . . . . . . . . A . 30 GLU H . . . . . . . . . c30642_6pv1 1 . 9 . 4592 . 1 1 30 GLU HA H 12.062 1.289 4.613 . . . 1.0 . . . . . . . . . . . . A . 30 GLU HA . . . . . . . . . c30642_6pv1 1 . 9 . 4593 . 1 1 30 GLU HB2 H 15.041 1.666 4.260 . . . 1.0 . . . . . . . . . . . . A . 30 GLU HB2 . . . . . . . . . c30642_6pv1 1 . 9 . 4594 . 1 1 30 GLU HB3 H 14.271 0.673 5.487 . . . 1.0 . . . . . . . . . . . . A . 30 GLU HB3 . . . . . . . . . c30642_6pv1 1 . 9 . 4595 . 1 1 30 GLU HG2 H 13.375 -0.794 3.779 . . . 1.0 . . . . . . . . . . . . A . 30 GLU HG2 . . . . . . . . . c30642_6pv1 1 . 9 . 4596 . 1 1 30 GLU HG3 H 14.070 0.222 2.518 . . . 1.0 . . . . . . . . . . . . A . 30 GLU HG3 . . . . . . . . . c30642_6pv1 1 . 9 . 4597 . 1 1 30 GLU N N 12.753 2.407 3.026 . . . 1.0 . . . . . . . . . . . . A . 30 GLU N . . . . . . . . . c30642_6pv1 1 . 9 . 4598 . 1 1 30 GLU O O 12.816 2.858 6.582 . . . 1.0 . . . . . . . . . . . . A . 30 GLU O . . . . . . . . . c30642_6pv1 1 . 9 . 4599 . 1 1 30 GLU OE1 O 16.516 -0.439 3.101 . . . 1.0 . . . . . . . . . . . . A . 30 GLU OE1 . . . . . . . . . c30642_6pv1 1 . 9 . 4600 . 1 1 30 GLU OE2 O 15.471 -2.047 4.162 . . . 1.0 . . . . . . . . . . . . A . 30 GLU OE2 . . . . . . . . . c30642_6pv1 1 . 9 . 4601 . 1 1 31 LYS C C 12.541 6.583 5.105 . . . 1.0 . . . . . . . . . . . . A . 31 LYS C . . . . . . . . . c30642_6pv1 1 . 9 . 4602 . 1 1 31 LYS CA C 13.339 5.434 5.706 . . . 1.0 . . . . . . . . . . . . A . 31 LYS CA . . . . . . . . . c30642_6pv1 1 . 9 . 4603 . 1 1 31 LYS CB C 14.808 5.840 5.870 . . . 1.0 . . . . . . . . . . . . A . 31 LYS CB . . . . . . . . . c30642_6pv1 1 . 9 . 4604 . 1 1 31 LYS CD C 17.114 5.213 6.664 . . . 1.0 . . . . . . . . . . . . A . 31 LYS CD . . . . . . . . . c30642_6pv1 1 . 9 . 4605 . 1 1 31 LYS CE C 17.341 6.570 7.316 . . . 1.0 . . . . . . . . . . . . A . 31 LYS CE . . . . . . . . . c30642_6pv1 1 . 9 . 4606 . 1 1 31 LYS CG C 15.642 4.832 6.646 . . . 1.0 . . . . . . . . . . . . A . 31 LYS CG . . . . . . . . . c30642_6pv1 1 . 9 . 4607 . 1 1 31 LYS H H 13.325 4.347 3.896 . . . 1.0 . . . . . . . . . . . . A . 31 LYS H . . . . . . . . . c30642_6pv1 1 . 9 . 4608 . 1 1 31 LYS HA H 12.931 5.194 6.676 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HA . . . . . . . . . c30642_6pv1 1 . 9 . 4609 . 1 1 31 LYS HB2 H 15.247 5.960 4.890 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HB2 . . . . . . . . . c30642_6pv1 1 . 9 . 4610 . 1 1 31 LYS HB3 H 14.851 6.785 6.389 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HB3 . . . . . . . . . c30642_6pv1 1 . 9 . 4611 . 1 1 31 LYS HD2 H 17.662 4.466 7.217 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HD2 . . . . . . . . . c30642_6pv1 1 . 9 . 4612 . 1 1 31 LYS HD3 H 17.477 5.248 5.648 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HD3 . . . . . . . . . c30642_6pv1 1 . 9 . 4613 . 1 1 31 LYS HE2 H 16.764 7.312 6.785 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HE2 . . . . . . . . . c30642_6pv1 1 . 9 . 4614 . 1 1 31 LYS HE3 H 17.009 6.522 8.342 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HE3 . . . . . . . . . c30642_6pv1 1 . 9 . 4615 . 1 1 31 LYS HG2 H 15.281 4.787 7.662 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HG2 . . . . . . . . . c30642_6pv1 1 . 9 . 4616 . 1 1 31 LYS HG3 H 15.538 3.860 6.183 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HG3 . . . . . . . . . c30642_6pv1 1 . 9 . 4617 . 1 1 31 LYS HZ1 H 19.124 6.961 6.308 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HZ1 . . . . . . . . . c30642_6pv1 1 . 9 . 4618 . 1 1 31 LYS HZ2 H 19.340 6.296 7.849 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HZ2 . . . . . . . . . c30642_6pv1 1 . 9 . 4619 . 1 1 31 LYS HZ3 H 18.891 7.916 7.683 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HZ3 . . . . . . . . . c30642_6pv1 1 . 9 . 4620 . 1 1 31 LYS N N 13.230 4.252 4.868 . . . 1.0 . . . . . . . . . . . . A . 31 LYS N . . . . . . . . . c30642_6pv1 1 . 9 . 4621 . 1 1 31 LYS NZ N 18.773 6.962 7.286 . . . 1.0 . . . . . . . . . . . . A . 31 LYS NZ . . . . . . . . . c30642_6pv1 1 . 9 . 4622 . 1 1 31 LYS O O 13.102 7.554 4.594 . . . 1.0 . . . . . . . . . . . . A . 31 LYS O . . . . . . . . . c30642_6pv1 1 . 9 . 4623 . 1 1 32 NH2 HN1 H 10.852 5.670 5.596 . . . 1.0 . . . . . . . . . . . . A . 32 NH2 HN1 . . . . . . . . . c30642_6pv1 1 . 9 . 4624 . 1 1 32 NH2 HN2 H 10.682 7.197 4.797 . . . 1.0 . . . . . . . . . . . . A . 32 NH2 HN2 . . . . . . . . . c30642_6pv1 1 . 9 . 4625 . 1 1 32 NH2 N N 11.228 6.473 5.173 . . . 1.0 . . . . . . . . . . . . A . 32 NH2 N . . . . . . . . . c30642_6pv1 1 . 9 . 4626 . 2 2 1 ZN ZN Zn 2.228 -3.932 1.141 . . . 1.0 . . . . . . . . . . . . A . 101 ZN ZN . . . . . . . . . c30642_6pv1 1 . 10 . 4627 . 1 1 1 ARG C C -12.320 -0.818 -2.824 . . . 1.0 . . . . . . . . . . . . A . 1 ARG C . . . . . . . . . c30642_6pv1 1 . 10 . 4628 . 1 1 1 ARG CA C -13.320 -0.925 -3.966 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CA . . . . . . . . . c30642_6pv1 1 . 10 . 4629 . 1 1 1 ARG CB C -12.769 -0.176 -5.176 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CB . . . . . . . . . c30642_6pv1 1 . 10 . 4630 . 1 1 1 ARG CD C -13.166 0.661 -7.489 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CD . . . . . . . . . c30642_6pv1 1 . 10 . 4631 . 1 1 1 ARG CG C -13.585 -0.351 -6.440 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CG . . . . . . . . . c30642_6pv1 1 . 10 . 4632 . 1 1 1 ARG CZ C -12.363 2.974 -7.140 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CZ . . . . . . . . . c30642_6pv1 1 . 10 . 4633 . 1 1 1 ARG H1 H -15.322 -0.486 -4.333 . . . 1.0 . . . . . . . . . . . . A . 1 ARG H1 . . . . . . . . . c30642_6pv1 1 . 10 . 4634 . 1 1 1 ARG H2 H -14.537 0.649 -3.358 . . . 1.0 . . . . . . . . . . . . A . 1 ARG H2 . . . . . . . . . c30642_6pv1 1 . 10 . 4635 . 1 1 1 ARG H3 H -14.982 -0.850 -2.716 . . . 1.0 . . . . . . . . . . . . A . 1 ARG H3 . . . . . . . . . c30642_6pv1 1 . 10 . 4636 . 1 1 1 ARG HA H -13.457 -1.963 -4.222 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HA . . . . . . . . . c30642_6pv1 1 . 10 . 4637 . 1 1 1 ARG HB2 H -12.732 0.878 -4.943 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HB2 . . . . . . . . . c30642_6pv1 1 . 10 . 4638 . 1 1 1 ARG HB3 H -11.765 -0.524 -5.370 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HB3 . . . . . . . . . c30642_6pv1 1 . 10 . 4639 . 1 1 1 ARG HD2 H -12.138 0.477 -7.760 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HD2 . . . . . . . . . c30642_6pv1 1 . 10 . 4640 . 1 1 1 ARG HD3 H -13.795 0.544 -8.359 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HD3 . . . . . . . . . c30642_6pv1 1 . 10 . 4641 . 1 1 1 ARG HE H -14.124 2.258 -6.514 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HE . . . . . . . . . c30642_6pv1 1 . 10 . 4642 . 1 1 1 ARG HG2 H -13.428 -1.347 -6.828 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HG2 . . . . . . . . . c30642_6pv1 1 . 10 . 4643 . 1 1 1 ARG HG3 H -14.628 -0.210 -6.211 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HG3 . . . . . . . . . c30642_6pv1 1 . 10 . 4644 . 1 1 1 ARG HH11 H -10.524 3.414 -7.882 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH11 . . . . . . . . . c30642_6pv1 1 . 10 . 4645 . 1 1 1 ARG HH12 H -11.057 1.783 -8.140 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH12 . . . . . . . . . c30642_6pv1 1 . 10 . 4646 . 1 1 1 ARG HH21 H -11.879 4.904 -6.756 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH21 . . . . . . . . . c30642_6pv1 1 . 10 . 4647 . 1 1 1 ARG HH22 H -13.432 4.396 -6.175 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH22 . . . . . . . . . c30642_6pv1 1 . 10 . 4648 . 1 1 1 ARG N N -14.630 -0.366 -3.567 . . . 1.0 . . . . . . . . . . . . A . 1 ARG N . . . . . . . . . c30642_6pv1 1 . 10 . 4649 . 1 1 1 ARG NE N -13.292 2.031 -6.991 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NE . . . . . . . . . c30642_6pv1 1 . 10 . 4650 . 1 1 1 ARG NH1 N -11.225 2.704 -7.770 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NH1 . . . . . . . . . c30642_6pv1 1 . 10 . 4651 . 1 1 1 ARG NH2 N -12.573 4.188 -6.649 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NH2 . . . . . . . . . c30642_6pv1 1 . 10 . 4652 . 1 1 1 ARG O O -11.990 0.286 -2.385 . . . 1.0 . . . . . . . . . . . . A . 1 ARG O . . . . . . . . . c30642_6pv1 1 . 10 . 4653 . 1 1 2 PRO C C -9.407 -1.831 -1.955 . . . 1.0 . . . . . . . . . . . . A . 2 PRO C . . . . . . . . . c30642_6pv1 1 . 10 . 4654 . 1 1 2 PRO CA C -10.781 -1.967 -1.309 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CA . . . . . . . . . c30642_6pv1 1 . 10 . 4655 . 1 1 2 PRO CB C -10.943 -3.334 -0.653 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CB . . . . . . . . . c30642_6pv1 1 . 10 . 4656 . 1 1 2 PRO CD C -12.300 -3.317 -2.641 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CD . . . . . . . . . c30642_6pv1 1 . 10 . 4657 . 1 1 2 PRO CG C -11.494 -4.210 -1.728 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CG . . . . . . . . . c30642_6pv1 1 . 10 . 4658 . 1 1 2 PRO HA H -10.916 -1.187 -0.575 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HA . . . . . . . . . c30642_6pv1 1 . 10 . 4659 . 1 1 2 PRO HB2 H -9.981 -3.685 -0.308 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HB2 . . . . . . . . . c30642_6pv1 1 . 10 . 4660 . 1 1 2 PRO HB3 H -11.626 -3.258 0.179 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HB3 . . . . . . . . . c30642_6pv1 1 . 10 . 4661 . 1 1 2 PRO HD2 H -12.092 -3.549 -3.674 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HD2 . . . . . . . . . c30642_6pv1 1 . 10 . 4662 . 1 1 2 PRO HD3 H -13.355 -3.426 -2.434 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HD3 . . . . . . . . . c30642_6pv1 1 . 10 . 4663 . 1 1 2 PRO HG2 H -10.683 -4.670 -2.276 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HG2 . . . . . . . . . c30642_6pv1 1 . 10 . 4664 . 1 1 2 PRO HG3 H -12.127 -4.968 -1.292 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HG3 . . . . . . . . . c30642_6pv1 1 . 10 . 4665 . 1 1 2 PRO N N -11.839 -1.955 -2.308 . . . 1.0 . . . . . . . . . . . . A . 2 PRO N . . . . . . . . . c30642_6pv1 1 . 10 . 4666 . 1 1 2 PRO O O -9.038 -2.614 -2.833 . . . 1.0 . . . . . . . . . . . . A . 2 PRO O . . . . . . . . . c30642_6pv1 1 . 10 . 4667 . 1 1 3 PHE C C -6.332 -1.491 -1.386 . . . 1.0 . . . . . . . . . . . . A . 3 PHE C . . . . . . . . . c30642_6pv1 1 . 10 . 4668 . 1 1 3 PHE CA C -7.336 -0.590 -2.076 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CA . . . . . . . . . c30642_6pv1 1 . 10 . 4669 . 1 1 3 PHE CB C -6.963 0.886 -1.928 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CB . . . . . . . . . c30642_6pv1 1 . 10 . 4670 . 1 1 3 PHE CD1 C -7.896 1.900 -4.017 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD1 . . . . . . . . . c30642_6pv1 1 . 10 . 4671 . 1 1 3 PHE CD2 C -8.873 2.511 -1.932 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD2 . . . . . . . . . c30642_6pv1 1 . 10 . 4672 . 1 1 3 PHE CE1 C -8.795 2.712 -4.680 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE1 . . . . . . . . . c30642_6pv1 1 . 10 . 4673 . 1 1 3 PHE CE2 C -9.772 3.328 -2.586 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE2 . . . . . . . . . c30642_6pv1 1 . 10 . 4674 . 1 1 3 PHE CG C -7.927 1.790 -2.638 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CG . . . . . . . . . c30642_6pv1 1 . 10 . 4675 . 1 1 3 PHE CZ C -9.735 3.429 -3.964 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CZ . . . . . . . . . c30642_6pv1 1 . 10 . 4676 . 1 1 3 PHE H H -8.991 -0.253 -0.810 . . . 1.0 . . . . . . . . . . . . A . 3 PHE H . . . . . . . . . c30642_6pv1 1 . 10 . 4677 . 1 1 3 PHE HA H -7.363 -0.842 -3.127 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HA . . . . . . . . . c30642_6pv1 1 . 10 . 4678 . 1 1 3 PHE HB2 H -6.957 1.152 -0.881 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB2 . . . . . . . . . c30642_6pv1 1 . 10 . 4679 . 1 1 3 PHE HB3 H -5.983 1.048 -2.345 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB3 . . . . . . . . . c30642_6pv1 1 . 10 . 4680 . 1 1 3 PHE HD1 H -7.161 1.340 -4.577 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD1 . . . . . . . . . c30642_6pv1 1 . 10 . 4681 . 1 1 3 PHE HD2 H -8.902 2.435 -0.855 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD2 . . . . . . . . . c30642_6pv1 1 . 10 . 4682 . 1 1 3 PHE HE1 H -8.760 2.791 -5.756 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE1 . . . . . . . . . c30642_6pv1 1 . 10 . 4683 . 1 1 3 PHE HE2 H -10.503 3.887 -2.023 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE2 . . . . . . . . . c30642_6pv1 1 . 10 . 4684 . 1 1 3 PHE HZ H -10.439 4.064 -4.479 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HZ . . . . . . . . . c30642_6pv1 1 . 10 . 4685 . 1 1 3 PHE N N -8.657 -0.832 -1.530 . . . 1.0 . . . . . . . . . . . . A . 3 PHE N . . . . . . . . . c30642_6pv1 1 . 10 . 4686 . 1 1 3 PHE O O -5.717 -1.122 -0.390 . . . 1.0 . . . . . . . . . . . . A . 3 PHE O . . . . . . . . . c30642_6pv1 1 . 10 . 4687 . 1 1 4 NLE C C -4.022 -3.817 -1.917 . . . 1.0 . . . . . . . . . . . . A . 4 NLE C . . . . . . . . . c30642_6pv1 1 . 10 . 4688 . 1 1 4 NLE CA C -5.405 -3.732 -1.294 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CA . . . . . . . . . c30642_6pv1 1 . 10 . 4689 . 1 1 4 NLE CB C -6.125 -5.077 -1.418 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CB . . . . . . . . . c30642_6pv1 1 . 10 . 4690 . 1 1 4 NLE CD C -6.173 -7.532 -0.923 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CD . . . . . . . . . c30642_6pv1 1 . 10 . 4691 . 1 1 4 NLE CE C -5.425 -8.674 -0.275 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CE . . . . . . . . . c30642_6pv1 1 . 10 . 4692 . 1 1 4 NLE CG C -5.389 -6.241 -0.773 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CG . . . . . . . . . c30642_6pv1 1 . 10 . 4693 . 1 1 4 NLE H H -6.649 -2.879 -2.769 . . . 1.0 . . . . . . . . . . . . A . 4 NLE H . . . . . . . . . c30642_6pv1 1 . 10 . 4694 . 1 1 4 NLE HA H -5.298 -3.488 -0.252 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HA . . . . . . . . . c30642_6pv1 1 . 10 . 4695 . 1 1 4 NLE HB2 H -6.255 -5.302 -2.466 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HB2 . . . . . . . . . c30642_6pv1 1 . 10 . 4696 . 1 1 4 NLE HB3 H -7.096 -4.996 -0.956 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HB3 . . . . . . . . . c30642_6pv1 1 . 10 . 4697 . 1 1 4 NLE HD2 H -6.306 -7.753 -1.971 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HD2 . . . . . . . . . c30642_6pv1 1 . 10 . 4698 . 1 1 4 NLE HD3 H -7.134 -7.426 -0.441 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HD3 . . . . . . . . . c30642_6pv1 1 . 10 . 4699 . 1 1 4 NLE HE1 H -5.277 -8.458 0.772 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HE1 . . . . . . . . . c30642_6pv1 1 . 10 . 4700 . 1 1 4 NLE HE2 H -4.469 -8.796 -0.759 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HE2 . . . . . . . . . c30642_6pv1 1 . 10 . 4701 . 1 1 4 NLE HE3 H -5.999 -9.584 -0.377 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HE3 . . . . . . . . . c30642_6pv1 1 . 10 . 4702 . 1 1 4 NLE HG2 H -5.249 -6.033 0.277 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HG2 . . . . . . . . . c30642_6pv1 1 . 10 . 4703 . 1 1 4 NLE HG3 H -4.429 -6.356 -1.251 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HG3 . . . . . . . . . c30642_6pv1 1 . 10 . 4704 . 1 1 4 NLE N N -6.201 -2.691 -1.917 . . . 1.0 . . . . . . . . . . . . A . 4 NLE N . . . . . . . . . c30642_6pv1 1 . 10 . 4705 . 1 1 4 NLE O O -3.873 -3.817 -3.139 . . . 1.0 . . . . . . . . . . . . A . 4 NLE O . . . . . . . . . c30642_6pv1 1 . 10 . 4706 . 1 1 5 CYS C C -1.377 -5.543 -1.728 . . . 1.0 . . . . . . . . . . . . A . 5 CYS C . . . . . . . . . c30642_6pv1 1 . 10 . 4707 . 1 1 5 CYS CA C -1.650 -4.063 -1.489 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CA . . . . . . . . . c30642_6pv1 1 . 10 . 4708 . 1 1 5 CYS CB C -0.693 -3.523 -0.432 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CB . . . . . . . . . c30642_6pv1 1 . 10 . 4709 . 1 1 5 CYS H H -3.209 -3.767 -0.104 . . . 1.0 . . . . . . . . . . . . A . 5 CYS H . . . . . . . . . c30642_6pv1 1 . 10 . 4710 . 1 1 5 CYS HA H -1.504 -3.523 -2.411 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HA . . . . . . . . . c30642_6pv1 1 . 10 . 4711 . 1 1 5 CYS HB2 H -0.788 -2.450 -0.379 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB2 . . . . . . . . . c30642_6pv1 1 . 10 . 4712 . 1 1 5 CYS HB3 H -0.950 -3.948 0.525 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB3 . . . . . . . . . c30642_6pv1 1 . 10 . 4713 . 1 1 5 CYS N N -3.019 -3.869 -1.063 . . . 1.0 . . . . . . . . . . . . A . 5 CYS N . . . . . . . . . c30642_6pv1 1 . 10 . 4714 . 1 1 5 CYS O O -1.136 -6.300 -0.785 . . . 1.0 . . . . . . . . . . . . A . 5 CYS O . . . . . . . . . c30642_6pv1 1 . 10 . 4715 . 1 1 5 CYS SG S 1.038 -3.906 -0.752 . . . 1.0 . . . . . . . . . . . . A . 5 CYS SG . . . . . . . . . c30642_6pv1 1 . 10 . 4716 . 1 1 6 THR C C 0.297 -7.684 -3.448 . . . 1.0 . . . . . . . . . . . . A . 6 THR C . . . . . . . . . c30642_6pv1 1 . 10 . 4717 . 1 1 6 THR CA C -1.191 -7.346 -3.341 . . . 1.0 . . . . . . . . . . . . A . 6 THR CA . . . . . . . . . c30642_6pv1 1 . 10 . 4718 . 1 1 6 THR CB C -1.902 -7.695 -4.663 . . . 1.0 . . . . . . . . . . . . A . 6 THR CB . . . . . . . . . c30642_6pv1 1 . 10 . 4719 . 1 1 6 THR CG2 C -3.409 -7.767 -4.464 . . . 1.0 . . . . . . . . . . . . A . 6 THR CG2 . . . . . . . . . c30642_6pv1 1 . 10 . 4720 . 1 1 6 THR H H -1.576 -5.297 -3.700 . . . 1.0 . . . . . . . . . . . . A . 6 THR H . . . . . . . . . c30642_6pv1 1 . 10 . 4721 . 1 1 6 THR HA H -1.625 -7.951 -2.557 . . . 1.0 . . . . . . . . . . . . A . 6 THR HA . . . . . . . . . c30642_6pv1 1 . 10 . 4722 . 1 1 6 THR HB H -1.552 -8.660 -4.998 . . . 1.0 . . . . . . . . . . . . A . 6 THR HB . . . . . . . . . c30642_6pv1 1 . 10 . 4723 . 1 1 6 THR HG1 H -0.715 -6.347 -5.497 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG1 . . . . . . . . . c30642_6pv1 1 . 10 . 4724 . 1 1 6 THR HG21 H -3.638 -8.507 -3.713 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG21 . . . . . . . . . c30642_6pv1 1 . 10 . 4725 . 1 1 6 THR HG22 H -3.881 -8.041 -5.396 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG22 . . . . . . . . . c30642_6pv1 1 . 10 . 4726 . 1 1 6 THR HG23 H -3.776 -6.803 -4.143 . . . 1.0 . . . . . . . . . . . . A . 6 THR HG23 . . . . . . . . . c30642_6pv1 1 . 10 . 4727 . 1 1 6 THR N N -1.402 -5.950 -2.987 . . . 1.0 . . . . . . . . . . . . A . 6 THR N . . . . . . . . . c30642_6pv1 1 . 10 . 4728 . 1 1 6 THR O O 0.705 -8.475 -4.298 . . . 1.0 . . . . . . . . . . . . A . 6 THR O . . . . . . . . . c30642_6pv1 1 . 10 . 4729 . 1 1 6 THR OG1 O -1.593 -6.712 -5.664 . . . 1.0 . . . . . . . . . . . . A . 6 THR OG1 . . . . . . . . . c30642_6pv1 1 . 10 . 4730 . 1 1 7 TRP C C 2.665 -8.783 -1.926 . . . 1.0 . . . . . . . . . . . . A . 7 TRP C . . . . . . . . . c30642_6pv1 1 . 10 . 4731 . 1 1 7 TRP CA C 2.517 -7.398 -2.528 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CA . . . . . . . . . c30642_6pv1 1 . 10 . 4732 . 1 1 7 TRP CB C 3.272 -6.369 -1.690 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CB . . . . . . . . . c30642_6pv1 1 . 10 . 4733 . 1 1 7 TRP CD1 C 5.504 -7.344 -0.891 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD1 . . . . . . . . . c30642_6pv1 1 . 10 . 4734 . 1 1 7 TRP CD2 C 5.684 -5.896 -2.585 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD2 . . . . . . . . . c30642_6pv1 1 . 10 . 4735 . 1 1 7 TRP CE2 C 6.971 -6.347 -2.243 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE2 . . . . . . . . . c30642_6pv1 1 . 10 . 4736 . 1 1 7 TRP CE3 C 5.547 -4.978 -3.624 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE3 . . . . . . . . . c30642_6pv1 1 . 10 . 4737 . 1 1 7 TRP CG C 4.760 -6.544 -1.709 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CG . . . . . . . . . c30642_6pv1 1 . 10 . 4738 . 1 1 7 TRP CH2 C 7.950 -5.008 -3.921 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CH2 . . . . . . . . . c30642_6pv1 1 . 10 . 4739 . 1 1 7 TRP CZ2 C 8.115 -5.908 -2.905 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ2 . . . . . . . . . c30642_6pv1 1 . 10 . 4740 . 1 1 7 TRP CZ3 C 6.681 -4.543 -4.282 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ3 . . . . . . . . . c30642_6pv1 1 . 10 . 4741 . 1 1 7 TRP H H 0.744 -6.392 -1.990 . . . 1.0 . . . . . . . . . . . . A . 7 TRP H . . . . . . . . . c30642_6pv1 1 . 10 . 4742 . 1 1 7 TRP HA H 2.912 -7.403 -3.532 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HA . . . . . . . . . c30642_6pv1 1 . 10 . 4743 . 1 1 7 TRP HB2 H 3.051 -5.380 -2.061 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB2 . . . . . . . . . c30642_6pv1 1 . 10 . 4744 . 1 1 7 TRP HB3 H 2.944 -6.441 -0.667 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB3 . . . . . . . . . c30642_6pv1 1 . 10 . 4745 . 1 1 7 TRP HD1 H 5.092 -7.970 -0.115 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HD1 . . . . . . . . . c30642_6pv1 1 . 10 . 4746 . 1 1 7 TRP HE1 H 7.571 -7.706 -0.759 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE1 . . . . . . . . . c30642_6pv1 1 . 10 . 4747 . 1 1 7 TRP HE3 H 4.576 -4.609 -3.916 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE3 . . . . . . . . . c30642_6pv1 1 . 10 . 4748 . 1 1 7 TRP HH2 H 8.808 -4.639 -4.463 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HH2 . . . . . . . . . c30642_6pv1 1 . 10 . 4749 . 1 1 7 TRP HZ2 H 9.100 -6.259 -2.638 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ2 . . . . . . . . . c30642_6pv1 1 . 10 . 4750 . 1 1 7 TRP HZ3 H 6.594 -3.833 -5.088 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ3 . . . . . . . . . c30642_6pv1 1 . 10 . 4751 . 1 1 7 TRP N N 1.107 -7.070 -2.594 . . . 1.0 . . . . . . . . . . . . A . 7 TRP N . . . . . . . . . c30642_6pv1 1 . 10 . 4752 . 1 1 7 TRP NE1 N 6.836 -7.231 -1.207 . . . 1.0 . . . . . . . . . . . . A . 7 TRP NE1 . . . . . . . . . c30642_6pv1 1 . 10 . 4753 . 1 1 7 TRP O O 1.949 -9.127 -0.985 . . . 1.0 . . . . . . . . . . . . A . 7 TRP O . . . . . . . . . c30642_6pv1 1 . 10 . 4754 . 1 1 8 ABA C C 3.988 -11.048 -0.559 . . . 1.0 . . . . . . . . . . . . A . 8 AIB C . . . . . . . . . c30642_6pv1 1 . 10 . 4755 . 1 1 8 ABA CA C 3.775 -10.958 -2.079 . . . 1.0 . . . . . . . . . . . . A . 8 AIB CA . . . . . . . . . c30642_6pv1 1 . 10 . 4756 . 1 1 8 ABA H H 4.153 -9.187 -3.181 . . . 1.0 . . . . . . . . . . . . A . 8 AIB H . . . . . . . . . c30642_6pv1 1 . 10 . 4757 . 1 1 8 ABA N N 3.579 -9.563 -2.479 . . . 1.0 . . . . . . . . . . . . A . 8 AIB N . . . . . . . . . c30642_6pv1 1 . 10 . 4758 . 1 1 8 ABA O O 5.030 -10.641 -0.048 . . . 1.0 . . . . . . . . . . . . A . 8 AIB O . . . . . . . . . c30642_6pv1 1 . 10 . 4759 . 1 1 9 GLY C C 2.638 -10.591 2.397 . . . 1.0 . . . . . . . . . . . . A . 9 GLY C . . . . . . . . . c30642_6pv1 1 . 10 . 4760 . 1 1 9 GLY CA C 3.128 -11.768 1.579 . . . 1.0 . . . . . . . . . . . . A . 9 GLY CA . . . . . . . . . c30642_6pv1 1 . 10 . 4761 . 1 1 9 GLY H H 2.153 -11.801 -0.293 . . . 1.0 . . . . . . . . . . . . A . 9 GLY H . . . . . . . . . c30642_6pv1 1 . 10 . 4762 . 1 1 9 GLY HA2 H 2.562 -12.641 1.858 . . . 1.0 . . . . . . . . . . . . A . 9 GLY HA2 . . . . . . . . . c30642_6pv1 1 . 10 . 4763 . 1 1 9 GLY HA3 H 4.169 -11.939 1.807 . . . 1.0 . . . . . . . . . . . . A . 9 GLY HA3 . . . . . . . . . c30642_6pv1 1 . 10 . 4764 . 1 1 9 GLY N N 2.991 -11.562 0.154 . . . 1.0 . . . . . . . . . . . . A . 9 GLY N . . . . . . . . . c30642_6pv1 1 . 10 . 4765 . 1 1 9 GLY O O 2.813 -10.560 3.616 . . . 1.0 . . . . . . . . . . . . A . 9 GLY O . . . . . . . . . c30642_6pv1 1 . 10 . 4766 . 1 1 10 CYS C C 0.003 -8.490 2.534 . . . 1.0 . . . . . . . . . . . . A . 10 CYS C . . . . . . . . . c30642_6pv1 1 . 10 . 4767 . 1 1 10 CYS CA C 1.528 -8.444 2.422 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CA . . . . . . . . . c30642_6pv1 1 . 10 . 4768 . 1 1 10 CYS CB C 1.987 -7.186 1.689 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CB . . . . . . . . . c30642_6pv1 1 . 10 . 4769 . 1 1 10 CYS H H 1.914 -9.694 0.761 . . . 1.0 . . . . . . . . . . . . A . 10 CYS H . . . . . . . . . c30642_6pv1 1 . 10 . 4770 . 1 1 10 CYS HA H 1.948 -8.441 3.414 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HA . . . . . . . . . c30642_6pv1 1 . 10 . 4771 . 1 1 10 CYS HB2 H 3.057 -7.227 1.561 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB2 . . . . . . . . . c30642_6pv1 1 . 10 . 4772 . 1 1 10 CYS HB3 H 1.517 -7.152 0.720 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB3 . . . . . . . . . c30642_6pv1 1 . 10 . 4773 . 1 1 10 CYS N N 2.028 -9.620 1.736 . . . 1.0 . . . . . . . . . . . . A . 10 CYS N . . . . . . . . . c30642_6pv1 1 . 10 . 4774 . 1 1 10 CYS O O -0.533 -8.870 3.579 . . . 1.0 . . . . . . . . . . . . A . 10 CYS O . . . . . . . . . c30642_6pv1 1 . 10 . 4775 . 1 1 10 CYS SG S 1.597 -5.652 2.547 . . . 1.0 . . . . . . . . . . . . A . 10 CYS SG . . . . . . . . . c30642_6pv1 1 . 10 . 4776 . 1 1 11 GLY C C -2.759 -7.149 2.429 . . . 1.0 . . . . . . . . . . . . A . 11 GLY C . . . . . . . . . c30642_6pv1 1 . 10 . 4777 . 1 1 11 GLY CA C -2.145 -8.156 1.472 . . . 1.0 . . . . . . . . . . . . A . 11 GLY CA . . . . . . . . . c30642_6pv1 1 . 10 . 4778 . 1 1 11 GLY H H -0.222 -7.826 0.656 . . . 1.0 . . . . . . . . . . . . A . 11 GLY H . . . . . . . . . c30642_6pv1 1 . 10 . 4779 . 1 1 11 GLY HA2 H -2.501 -7.947 0.476 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA2 . . . . . . . . . c30642_6pv1 1 . 10 . 4780 . 1 1 11 GLY HA3 H -2.464 -9.148 1.756 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA3 . . . . . . . . . c30642_6pv1 1 . 10 . 4781 . 1 1 11 GLY N N -0.693 -8.120 1.463 . . . 1.0 . . . . . . . . . . . . A . 11 GLY N . . . . . . . . . c30642_6pv1 1 . 10 . 4782 . 1 1 11 GLY O O -3.775 -7.428 3.060 . . . 1.0 . . . . . . . . . . . . A . 11 GLY O . . . . . . . . . c30642_6pv1 1 . 10 . 4783 . 1 1 12 LYS C C -3.722 -4.117 2.710 . . . 1.0 . . . . . . . . . . . . A . 12 LYS C . . . . . . . . . c30642_6pv1 1 . 10 . 4784 . 1 1 12 LYS CA C -2.655 -4.943 3.430 . . . 1.0 . . . . . . . . . . . . A . 12 LYS CA . . . . . . . . . c30642_6pv1 1 . 10 . 4785 . 1 1 12 LYS CB C -1.505 -4.048 3.904 . . . 1.0 . . . . . . . . . . . . A . 12 LYS CB . . . . . . . . . c30642_6pv1 1 . 10 . 4786 . 1 1 12 LYS CD C -2.304 -3.837 6.282 . . . 1.0 . . . . . . . . . . . . A . 12 LYS CD . . . . . . . . . c30642_6pv1 1 . 10 . 4787 . 1 1 12 LYS CE C -2.505 -2.885 7.449 . . . 1.0 . . . . . . . . . . . . A . 12 LYS CE . . . . . . . . . c30642_6pv1 1 . 10 . 4788 . 1 1 12 LYS CG C -1.882 -3.095 5.024 . . . 1.0 . . . . . . . . . . . . A . 12 LYS CG . . . . . . . . . c30642_6pv1 1 . 10 . 4789 . 1 1 12 LYS H H -1.330 -5.819 2.032 . . . 1.0 . . . . . . . . . . . . A . 12 LYS H . . . . . . . . . c30642_6pv1 1 . 10 . 4790 . 1 1 12 LYS HA H -3.104 -5.424 4.284 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HA . . . . . . . . . c30642_6pv1 1 . 10 . 4791 . 1 1 12 LYS HB2 H -0.698 -4.676 4.254 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HB2 . . . . . . . . . c30642_6pv1 1 . 10 . 4792 . 1 1 12 LYS HB3 H -1.154 -3.462 3.069 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HB3 . . . . . . . . . c30642_6pv1 1 . 10 . 4793 . 1 1 12 LYS HD2 H -3.231 -4.354 6.090 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HD2 . . . . . . . . . c30642_6pv1 1 . 10 . 4794 . 1 1 12 LYS HD3 H -1.537 -4.553 6.540 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HD3 . . . . . . . . . c30642_6pv1 1 . 10 . 4795 . 1 1 12 LYS HE2 H -3.197 -2.112 7.150 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HE2 . . . . . . . . . c30642_6pv1 1 . 10 . 4796 . 1 1 12 LYS HE3 H -2.920 -3.435 8.281 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HE3 . . . . . . . . . c30642_6pv1 1 . 10 . 4797 . 1 1 12 LYS HG2 H -1.031 -2.473 5.255 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HG2 . . . . . . . . . c30642_6pv1 1 . 10 . 4798 . 1 1 12 LYS HG3 H -2.701 -2.476 4.692 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HG3 . . . . . . . . . c30642_6pv1 1 . 10 . 4799 . 1 1 12 LYS HZ1 H -0.545 -2.977 8.162 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HZ1 . . . . . . . . . c30642_6pv1 1 . 10 . 4800 . 1 1 12 LYS HZ2 H -1.399 -1.616 8.686 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HZ2 . . . . . . . . . c30642_6pv1 1 . 10 . 4801 . 1 1 12 LYS HZ3 H -0.824 -1.693 7.098 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HZ3 . . . . . . . . . c30642_6pv1 1 . 10 . 4802 . 1 1 12 LYS N N -2.144 -5.983 2.545 . . . 1.0 . . . . . . . . . . . . A . 12 LYS N . . . . . . . . . c30642_6pv1 1 . 10 . 4803 . 1 1 12 LYS NZ N -1.229 -2.247 7.876 . . . 1.0 . . . . . . . . . . . . A . 12 LYS NZ . . . . . . . . . c30642_6pv1 1 . 10 . 4804 . 1 1 12 LYS O O -3.468 -3.570 1.638 . . . 1.0 . . . . . . . . . . . . A . 12 LYS O . . . . . . . . . c30642_6pv1 1 . 10 . 4805 . 1 1 13 ARG C C -6.211 -1.942 3.171 . . . 1.0 . . . . . . . . . . . . A . 13 ARG C . . . . . . . . . c30642_6pv1 1 . 10 . 4806 . 1 1 13 ARG CA C -6.041 -3.367 2.656 . . . 1.0 . . . . . . . . . . . . A . 13 ARG CA . . . . . . . . . c30642_6pv1 1 . 10 . 4807 . 1 1 13 ARG CB C -7.333 -4.147 2.901 . . . 1.0 . . . . . . . . . . . . A . 13 ARG CB . . . . . . . . . c30642_6pv1 1 . 10 . 4808 . 1 1 13 ARG CD C -8.603 -6.293 2.653 . . . 1.0 . . . . . . . . . . . . A . 13 ARG CD . . . . . . . . . c30642_6pv1 1 . 10 . 4809 . 1 1 13 ARG CG C -7.278 -5.586 2.424 . . . 1.0 . . . . . . . . . . . . A . 13 ARG CG . . . . . . . . . c30642_6pv1 1 . 10 . 4810 . 1 1 13 ARG CZ C -10.038 -6.942 4.557 . . . 1.0 . . . . . . . . . . . . A . 13 ARG CZ . . . . . . . . . c30642_6pv1 1 . 10 . 4811 . 1 1 13 ARG H H -5.034 -4.447 4.180 . . . 1.0 . . . . . . . . . . . . A . 13 ARG H . . . . . . . . . c30642_6pv1 1 . 10 . 4812 . 1 1 13 ARG HA H -5.848 -3.331 1.597 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HA . . . . . . . . . c30642_6pv1 1 . 10 . 4813 . 1 1 13 ARG HB2 H -7.543 -4.151 3.960 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HB2 . . . . . . . . . c30642_6pv1 1 . 10 . 4814 . 1 1 13 ARG HB3 H -8.141 -3.651 2.385 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HB3 . . . . . . . . . c30642_6pv1 1 . 10 . 4815 . 1 1 13 ARG HD2 H -9.364 -5.802 2.066 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HD2 . . . . . . . . . c30642_6pv1 1 . 10 . 4816 . 1 1 13 ARG HD3 H -8.509 -7.319 2.334 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HD3 . . . . . . . . . c30642_6pv1 1 . 10 . 4817 . 1 1 13 ARG HE H -8.463 -5.710 4.672 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HE . . . . . . . . . c30642_6pv1 1 . 10 . 4818 . 1 1 13 ARG HG2 H -7.050 -5.597 1.369 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HG2 . . . . . . . . . c30642_6pv1 1 . 10 . 4819 . 1 1 13 ARG HG3 H -6.503 -6.107 2.968 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HG3 . . . . . . . . . c30642_6pv1 1 . 10 . 4820 . 1 1 13 ARG HH11 H -11.561 -8.217 4.143 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HH11 . . . . . . . . . c30642_6pv1 1 . 10 . 4821 . 1 1 13 ARG HH12 H -10.563 -7.789 2.791 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HH12 . . . . . . . . . c30642_6pv1 1 . 10 . 4822 . 1 1 13 ARG HH21 H -9.773 -6.267 6.449 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HH21 . . . . . . . . . c30642_6pv1 1 . 10 . 4823 . 1 1 13 ARG HH22 H -11.105 -7.356 6.229 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HH22 . . . . . . . . . c30642_6pv1 1 . 10 . 4824 . 1 1 13 ARG N N -4.911 -4.041 3.294 . . . 1.0 . . . . . . . . . . . . A . 13 ARG N . . . . . . . . . c30642_6pv1 1 . 10 . 4825 . 1 1 13 ARG NE N -9.001 -6.268 4.061 . . . 1.0 . . . . . . . . . . . . A . 13 ARG NE . . . . . . . . . c30642_6pv1 1 . 10 . 4826 . 1 1 13 ARG NH1 N -10.781 -7.710 3.766 . . . 1.0 . . . . . . . . . . . . A . 13 ARG NH1 . . . . . . . . . c30642_6pv1 1 . 10 . 4827 . 1 1 13 ARG NH2 N -10.331 -6.847 5.848 . . . 1.0 . . . . . . . . . . . . A . 13 ARG NH2 . . . . . . . . . c30642_6pv1 1 . 10 . 4828 . 1 1 13 ARG O O -6.033 -1.675 4.361 . . . 1.0 . . . . . . . . . . . . A . 13 ARG O . . . . . . . . . c30642_6pv1 1 . 10 . 4829 . 1 1 14 PHE C C -8.091 0.845 1.955 . . . 1.0 . . . . . . . . . . . . A . 14 PHE C . . . . . . . . . c30642_6pv1 1 . 10 . 4830 . 1 1 14 PHE CA C -6.803 0.358 2.612 . . . 1.0 . . . . . . . . . . . . A . 14 PHE CA . . . . . . . . . c30642_6pv1 1 . 10 . 4831 . 1 1 14 PHE CB C -5.635 1.233 2.157 . . . 1.0 . . . . . . . . . . . . A . 14 PHE CB . . . . . . . . . c30642_6pv1 1 . 10 . 4832 . 1 1 14 PHE CD1 C -3.875 1.210 3.932 . . . 1.0 . . . . . . . . . . . . A . 14 PHE CD1 . . . . . . . . . c30642_6pv1 1 . 10 . 4833 . 1 1 14 PHE CD2 C -3.511 -0.068 1.956 . . . 1.0 . . . . . . . . . . . . A . 14 PHE CD2 . . . . . . . . . c30642_6pv1 1 . 10 . 4834 . 1 1 14 PHE CE1 C -2.656 0.801 4.424 . . . 1.0 . . . . . . . . . . . . A . 14 PHE CE1 . . . . . . . . . c30642_6pv1 1 . 10 . 4835 . 1 1 14 PHE CE2 C -2.291 -0.483 2.443 . . . 1.0 . . . . . . . . . . . . A . 14 PHE CE2 . . . . . . . . . c30642_6pv1 1 . 10 . 4836 . 1 1 14 PHE CG C -4.314 0.781 2.694 . . . 1.0 . . . . . . . . . . . . A . 14 PHE CG . . . . . . . . . c30642_6pv1 1 . 10 . 4837 . 1 1 14 PHE CZ C -1.876 -0.066 3.696 . . . 1.0 . . . . . . . . . . . . A . 14 PHE CZ . . . . . . . . . c30642_6pv1 1 . 10 . 4838 . 1 1 14 PHE H H -6.625 -1.301 1.322 . . . 1.0 . . . . . . . . . . . . A . 14 PHE H . . . . . . . . . c30642_6pv1 1 . 10 . 4839 . 1 1 14 PHE HA H -6.901 0.426 3.685 . . . 1.0 . . . . . . . . . . . . A . 14 PHE HA . . . . . . . . . c30642_6pv1 1 . 10 . 4840 . 1 1 14 PHE HB2 H -5.579 1.220 1.079 . . . 1.0 . . . . . . . . . . . . A . 14 PHE HB2 . . . . . . . . . c30642_6pv1 1 . 10 . 4841 . 1 1 14 PHE HB3 H -5.799 2.246 2.491 . . . 1.0 . . . . . . . . . . . . A . 14 PHE HB3 . . . . . . . . . c30642_6pv1 1 . 10 . 4842 . 1 1 14 PHE HD1 H -4.496 1.876 4.512 . . . 1.0 . . . . . . . . . . . . A . 14 PHE HD1 . . . . . . . . . c30642_6pv1 1 . 10 . 4843 . 1 1 14 PHE HD2 H -3.849 -0.408 0.988 . . . 1.0 . . . . . . . . . . . . A . 14 PHE HD2 . . . . . . . . . c30642_6pv1 1 . 10 . 4844 . 1 1 14 PHE HE1 H -2.321 1.143 5.393 . . . 1.0 . . . . . . . . . . . . A . 14 PHE HE1 . . . . . . . . . c30642_6pv1 1 . 10 . 4845 . 1 1 14 PHE HE2 H -1.674 -1.146 1.857 . . . 1.0 . . . . . . . . . . . . A . 14 PHE HE2 . . . . . . . . . c30642_6pv1 1 . 10 . 4846 . 1 1 14 PHE HZ H -0.927 -0.399 4.086 . . . 1.0 . . . . . . . . . . . . A . 14 PHE HZ . . . . . . . . . c30642_6pv1 1 . 10 . 4847 . 1 1 14 PHE N N -6.553 -1.032 2.265 . . . 1.0 . . . . . . . . . . . . A . 14 PHE N . . . . . . . . . c30642_6pv1 1 . 10 . 4848 . 1 1 14 PHE O O -8.561 0.265 0.978 . . . 1.0 . . . . . . . . . . . . A . 14 PHE O . . . . . . . . . c30642_6pv1 1 . 10 . 4849 . 1 1 15 THR C C -9.530 3.799 1.221 . . . 1.0 . . . . . . . . . . . . A . 15 THR C . . . . . . . . . c30642_6pv1 1 . 10 . 4850 . 1 1 15 THR CA C -9.870 2.496 1.950 . . . 1.0 . . . . . . . . . . . . A . 15 THR CA . . . . . . . . . c30642_6pv1 1 . 10 . 4851 . 1 1 15 THR CB C -10.896 2.759 3.072 . . . 1.0 . . . . . . . . . . . . A . 15 THR CB . . . . . . . . . c30642_6pv1 1 . 10 . 4852 . 1 1 15 THR CG2 C -12.268 3.100 2.510 . . . 1.0 . . . . . . . . . . . . A . 15 THR CG2 . . . . . . . . . c30642_6pv1 1 . 10 . 4853 . 1 1 15 THR H H -8.267 2.296 3.310 . . . 1.0 . . . . . . . . . . . . A . 15 THR H . . . . . . . . . c30642_6pv1 1 . 10 . 4854 . 1 1 15 THR HA H -10.299 1.798 1.246 . . . 1.0 . . . . . . . . . . . . A . 15 THR HA . . . . . . . . . c30642_6pv1 1 . 10 . 4855 . 1 1 15 THR HB H -10.548 3.588 3.672 . . . 1.0 . . . . . . . . . . . . A . 15 THR HB . . . . . . . . . c30642_6pv1 1 . 10 . 4856 . 1 1 15 THR HG1 H -10.117 1.315 4.170 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG1 . . . . . . . . . c30642_6pv1 1 . 10 . 4857 . 1 1 15 THR HG21 H -12.198 3.993 1.908 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG21 . . . . . . . . . c30642_6pv1 1 . 10 . 4858 . 1 1 15 THR HG22 H -12.959 3.265 3.325 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG22 . . . . . . . . . c30642_6pv1 1 . 10 . 4859 . 1 1 15 THR HG23 H -12.620 2.281 1.901 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG23 . . . . . . . . . c30642_6pv1 1 . 10 . 4860 . 1 1 15 THR N N -8.663 1.903 2.503 . . . 1.0 . . . . . . . . . . . . A . 15 THR N . . . . . . . . . c30642_6pv1 1 . 10 . 4861 . 1 1 15 THR O O -10.370 4.402 0.553 . . . 1.0 . . . . . . . . . . . . A . 15 THR O . . . . . . . . . c30642_6pv1 1 . 10 . 4862 . 1 1 15 THR OG1 O -11.002 1.591 3.897 . . . 1.0 . . . . . . . . . . . . A . 15 THR OG1 . . . . . . . . . c30642_6pv1 1 . 10 . 4863 . 1 1 16 ARG C C -6.608 5.099 -0.211 . . . 1.0 . . . . . . . . . . . . A . 16 ARG C . . . . . . . . . c30642_6pv1 1 . 10 . 4864 . 1 1 16 ARG CA C -7.795 5.427 0.694 . . . 1.0 . . . . . . . . . . . . A . 16 ARG CA . . . . . . . . . c30642_6pv1 1 . 10 . 4865 . 1 1 16 ARG CB C -7.379 6.458 1.746 . . . 1.0 . . . . . . . . . . . . A . 16 ARG CB . . . . . . . . . c30642_6pv1 1 . 10 . 4866 . 1 1 16 ARG CD C -9.663 7.490 2.020 . . . 1.0 . . . . . . . . . . . . A . 16 ARG CD . . . . . . . . . c30642_6pv1 1 . 10 . 4867 . 1 1 16 ARG CG C -8.490 6.822 2.718 . . . 1.0 . . . . . . . . . . . . A . 16 ARG CG . . . . . . . . . c30642_6pv1 1 . 10 . 4868 . 1 1 16 ARG CZ C -11.535 8.891 2.800 . . . 1.0 . . . . . . . . . . . . A . 16 ARG CZ . . . . . . . . . c30642_6pv1 1 . 10 . 4869 . 1 1 16 ARG H H -7.655 3.701 1.901 . . . 1.0 . . . . . . . . . . . . A . 16 ARG H . . . . . . . . . c30642_6pv1 1 . 10 . 4870 . 1 1 16 ARG HA H -8.599 5.828 0.098 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HA . . . . . . . . . c30642_6pv1 1 . 10 . 4871 . 1 1 16 ARG HB2 H -6.554 6.058 2.313 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HB2 . . . . . . . . . c30642_6pv1 1 . 10 . 4872 . 1 1 16 ARG HB3 H -7.057 7.358 1.245 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HB3 . . . . . . . . . c30642_6pv1 1 . 10 . 4873 . 1 1 16 ARG HD2 H -9.313 8.382 1.528 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HD2 . . . . . . . . . c30642_6pv1 1 . 10 . 4874 . 1 1 16 ARG HD3 H -10.065 6.807 1.288 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HD3 . . . . . . . . . c30642_6pv1 1 . 10 . 4875 . 1 1 16 ARG HE H -10.827 7.283 3.757 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HE . . . . . . . . . c30642_6pv1 1 . 10 . 4876 . 1 1 16 ARG HG2 H -8.840 5.922 3.197 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HG2 . . . . . . . . . c30642_6pv1 1 . 10 . 4877 . 1 1 16 ARG HG3 H -8.094 7.497 3.463 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HG3 . . . . . . . . . c30642_6pv1 1 . 10 . 4878 . 1 1 16 ARG HH11 H -10.723 9.485 1.039 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HH11 . . . . . . . . . c30642_6pv1 1 . 10 . 4879 . 1 1 16 ARG HH12 H -12.039 10.456 1.616 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HH12 . . . . . . . . . c30642_6pv1 1 . 10 . 4880 . 1 1 16 ARG HH21 H -12.559 8.563 4.519 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HH21 . . . . . . . . . c30642_6pv1 1 . 10 . 4881 . 1 1 16 ARG HH22 H -13.077 9.935 3.596 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HH22 . . . . . . . . . c30642_6pv1 1 . 10 . 4882 . 1 1 16 ARG N N -8.276 4.219 1.348 . . . 1.0 . . . . . . . . . . . . A . 16 ARG N . . . . . . . . . c30642_6pv1 1 . 10 . 4883 . 1 1 16 ARG NE N -10.719 7.852 2.959 . . . 1.0 . . . . . . . . . . . . A . 16 ARG NE . . . . . . . . . c30642_6pv1 1 . 10 . 4884 . 1 1 16 ARG NH1 N -11.424 9.674 1.733 . . . 1.0 . . . . . . . . . . . . A . 16 ARG NH1 . . . . . . . . . c30642_6pv1 1 . 10 . 4885 . 1 1 16 ARG NH2 N -12.466 9.148 3.710 . . . 1.0 . . . . . . . . . . . . A . 16 ARG NH2 . . . . . . . . . c30642_6pv1 1 . 10 . 4886 . 1 1 16 ARG O O -5.660 4.431 0.206 . . . 1.0 . . . . . . . . . . . . A . 16 ARG O . . . . . . . . . c30642_6pv1 1 . 10 . 4887 . 1 1 17 SER C C -4.303 5.922 -2.054 . . . 1.0 . . . . . . . . . . . . A . 17 SER C . . . . . . . . . c30642_6pv1 1 . 10 . 4888 . 1 1 17 SER CA C -5.640 5.303 -2.446 . . . 1.0 . . . . . . . . . . . . A . 17 SER CA . . . . . . . . . c30642_6pv1 1 . 10 . 4889 . 1 1 17 SER CB C -6.076 5.845 -3.806 . . . 1.0 . . . . . . . . . . . . A . 17 SER CB . . . . . . . . . c30642_6pv1 1 . 10 . 4890 . 1 1 17 SER H H -7.432 6.145 -1.705 . . . 1.0 . . . . . . . . . . . . A . 17 SER H . . . . . . . . . c30642_6pv1 1 . 10 . 4891 . 1 1 17 SER HA H -5.524 4.233 -2.514 . . . 1.0 . . . . . . . . . . . . A . 17 SER HA . . . . . . . . . c30642_6pv1 1 . 10 . 4892 . 1 1 17 SER HB2 H -6.005 6.921 -3.803 . . . 1.0 . . . . . . . . . . . . A . 17 SER HB2 . . . . . . . . . c30642_6pv1 1 . 10 . 4893 . 1 1 17 SER HB3 H -5.435 5.442 -4.574 . . . 1.0 . . . . . . . . . . . . A . 17 SER HB3 . . . . . . . . . c30642_6pv1 1 . 10 . 4894 . 1 1 17 SER HG H -7.412 4.688 -4.648 . . . 1.0 . . . . . . . . . . . . A . 17 SER HG . . . . . . . . . c30642_6pv1 1 . 10 . 4895 . 1 1 17 SER N N -6.668 5.583 -1.449 . . . 1.0 . . . . . . . . . . . . A . 17 SER N . . . . . . . . . c30642_6pv1 1 . 10 . 4896 . 1 1 17 SER O O -3.251 5.324 -2.264 . . . 1.0 . . . . . . . . . . . . A . 17 SER O . . . . . . . . . c30642_6pv1 1 . 10 . 4897 . 1 1 17 SER OG O -7.413 5.476 -4.090 . . . 1.0 . . . . . . . . . . . . A . 17 SER OG . . . . . . . . . c30642_6pv1 1 . 10 . 4898 . 1 1 18 ASP C C -2.523 7.089 0.141 . . . 1.0 . . . . . . . . . . . . A . 18 ASP C . . . . . . . . . c30642_6pv1 1 . 10 . 4899 . 1 1 18 ASP CA C -3.138 7.803 -1.049 . . . 1.0 . . . . . . . . . . . . A . 18 ASP CA . . . . . . . . . c30642_6pv1 1 . 10 . 4900 . 1 1 18 ASP CB C -3.419 9.267 -0.705 . . . 1.0 . . . . . . . . . . . . A . 18 ASP CB . . . . . . . . . c30642_6pv1 1 . 10 . 4901 . 1 1 18 ASP CG C -4.523 9.440 0.317 . . . 1.0 . . . . . . . . . . . . A . 18 ASP CG . . . . . . . . . c30642_6pv1 1 . 10 . 4902 . 1 1 18 ASP H H -5.223 7.553 -1.352 . . . 1.0 . . . . . . . . . . . . A . 18 ASP H . . . . . . . . . c30642_6pv1 1 . 10 . 4903 . 1 1 18 ASP HA H -2.436 7.767 -1.869 . . . 1.0 . . . . . . . . . . . . A . 18 ASP HA . . . . . . . . . c30642_6pv1 1 . 10 . 4904 . 1 1 18 ASP HB2 H -2.520 9.712 -0.307 . . . 1.0 . . . . . . . . . . . . A . 18 ASP HB2 . . . . . . . . . c30642_6pv1 1 . 10 . 4905 . 1 1 18 ASP HB3 H -3.703 9.790 -1.605 . . . 1.0 . . . . . . . . . . . . A . 18 ASP HB3 . . . . . . . . . c30642_6pv1 1 . 10 . 4906 . 1 1 18 ASP N N -4.352 7.119 -1.482 . . . 1.0 . . . . . . . . . . . . A . 18 ASP N . . . . . . . . . c30642_6pv1 1 . 10 . 4907 . 1 1 18 ASP O O -1.313 7.128 0.339 . . . 1.0 . . . . . . . . . . . . A . 18 ASP O . . . . . . . . . c30642_6pv1 1 . 10 . 4908 . 1 1 18 ASP OD1 O -5.709 9.470 -0.072 . . . 1.0 . . . . . . . . . . . . A . 18 ASP OD1 . . . . . . . . . c30642_6pv1 1 . 10 . 4909 . 1 1 18 ASP OD2 O -4.204 9.536 1.521 . . . 1.0 . . . . . . . . . . . . A . 18 ASP OD2 . . . . . . . . . c30642_6pv1 1 . 10 . 4910 . 1 1 19 GLU C C -2.155 4.392 1.492 . . . 1.0 . . . . . . . . . . . . A . 19 GLU C . . . . . . . . . c30642_6pv1 1 . 10 . 4911 . 1 1 19 GLU CA C -2.896 5.614 2.028 . . . 1.0 . . . . . . . . . . . . A . 19 GLU CA . . . . . . . . . c30642_6pv1 1 . 10 . 4912 . 1 1 19 GLU CB C -4.073 5.180 2.900 . . . 1.0 . . . . . . . . . . . . A . 19 GLU CB . . . . . . . . . c30642_6pv1 1 . 10 . 4913 . 1 1 19 GLU CD C -3.029 5.632 5.155 . . . 1.0 . . . . . . . . . . . . A . 19 GLU CD . . . . . . . . . c30642_6pv1 1 . 10 . 4914 . 1 1 19 GLU CG C -3.662 4.603 4.241 . . . 1.0 . . . . . . . . . . . . A . 19 GLU CG . . . . . . . . . c30642_6pv1 1 . 10 . 4915 . 1 1 19 GLU H H -4.321 6.477 0.734 . . . 1.0 . . . . . . . . . . . . A . 19 GLU H . . . . . . . . . c30642_6pv1 1 . 10 . 4916 . 1 1 19 GLU HA H -2.216 6.210 2.615 . . . 1.0 . . . . . . . . . . . . A . 19 GLU HA . . . . . . . . . c30642_6pv1 1 . 10 . 4917 . 1 1 19 GLU HB2 H -4.706 6.033 3.081 . . . 1.0 . . . . . . . . . . . . A . 19 GLU HB2 . . . . . . . . . c30642_6pv1 1 . 10 . 4918 . 1 1 19 GLU HB3 H -4.641 4.429 2.371 . . . 1.0 . . . . . . . . . . . . A . 19 GLU HB3 . . . . . . . . . c30642_6pv1 1 . 10 . 4919 . 1 1 19 GLU HG2 H -4.537 4.204 4.728 . . . 1.0 . . . . . . . . . . . . A . 19 GLU HG2 . . . . . . . . . c30642_6pv1 1 . 10 . 4920 . 1 1 19 GLU HG3 H -2.951 3.809 4.071 . . . 1.0 . . . . . . . . . . . . A . 19 GLU HG3 . . . . . . . . . c30642_6pv1 1 . 10 . 4921 . 1 1 19 GLU N N -3.363 6.421 0.915 . . . 1.0 . . . . . . . . . . . . A . 19 GLU N . . . . . . . . . c30642_6pv1 1 . 10 . 4922 . 1 1 19 GLU O O -1.104 4.013 2.007 . . . 1.0 . . . . . . . . . . . . A . 19 GLU O . . . . . . . . . c30642_6pv1 1 . 10 . 4923 . 1 1 19 GLU OE1 O -3.760 6.482 5.700 . . . 1.0 . . . . . . . . . . . . A . 19 GLU OE1 . . . . . . . . . c30642_6pv1 1 . 10 . 4924 . 1 1 19 GLU OE2 O -1.793 5.592 5.334 . . . 1.0 . . . . . . . . . . . . A . 19 GLU OE2 . . . . . . . . . c30642_6pv1 1 . 10 . 4925 . 1 1 20 LEU C C -0.743 3.100 -0.856 . . . 1.0 . . . . . . . . . . . . A . 20 LEU C . . . . . . . . . c30642_6pv1 1 . 10 . 4926 . 1 1 20 LEU CA C -2.071 2.668 -0.237 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CA . . . . . . . . . c30642_6pv1 1 . 10 . 4927 . 1 1 20 LEU CB C -3.002 2.100 -1.313 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CB . . . . . . . . . c30642_6pv1 1 . 10 . 4928 . 1 1 20 LEU CD1 C -1.947 -0.180 -1.404 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CD1 . . . . . . . . . c30642_6pv1 1 . 10 . 4929 . 1 1 20 LEU CD2 C -3.374 0.604 -3.296 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CD2 . . . . . . . . . c30642_6pv1 1 . 10 . 4930 . 1 1 20 LEU CG C -2.386 1.026 -2.217 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CG . . . . . . . . . c30642_6pv1 1 . 10 . 4931 . 1 1 20 LEU H H -3.590 4.095 0.129 . . . 1.0 . . . . . . . . . . . . A . 20 LEU H . . . . . . . . . c30642_6pv1 1 . 10 . 4932 . 1 1 20 LEU HA H -1.874 1.902 0.499 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HA . . . . . . . . . c30642_6pv1 1 . 10 . 4933 . 1 1 20 LEU HB2 H -3.865 1.674 -0.823 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HB2 . . . . . . . . . c30642_6pv1 1 . 10 . 4934 . 1 1 20 LEU HB3 H -3.333 2.916 -1.938 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HB3 . . . . . . . . . c30642_6pv1 1 . 10 . 4935 . 1 1 20 LEU HD11 H -2.795 -0.582 -0.871 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD11 . . . . . . . . . c30642_6pv1 1 . 10 . 4936 . 1 1 20 LEU HD12 H -1.185 0.120 -0.698 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD12 . . . . . . . . . c30642_6pv1 1 . 10 . 4937 . 1 1 20 LEU HD13 H -1.548 -0.933 -2.066 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD13 . . . . . . . . . c30642_6pv1 1 . 10 . 4938 . 1 1 20 LEU HD21 H -4.217 0.107 -2.838 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD21 . . . . . . . . . c30642_6pv1 1 . 10 . 4939 . 1 1 20 LEU HD22 H -2.889 -0.071 -3.986 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD22 . . . . . . . . . c30642_6pv1 1 . 10 . 4940 . 1 1 20 LEU HD23 H -3.719 1.478 -3.830 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD23 . . . . . . . . . c30642_6pv1 1 . 10 . 4941 . 1 1 20 LEU HG H -1.512 1.435 -2.704 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HG . . . . . . . . . c30642_6pv1 1 . 10 . 4942 . 1 1 20 LEU N N -2.713 3.788 0.444 . . . 1.0 . . . . . . . . . . . . A . 20 LEU N . . . . . . . . . c30642_6pv1 1 . 10 . 4943 . 1 1 20 LEU O O 0.262 2.410 -0.720 . . . 1.0 . . . . . . . . . . . . A . 20 LEU O . . . . . . . . . c30642_6pv1 1 . 10 . 4944 . 1 1 21 GLN C C 1.524 5.059 -1.054 . . . 1.0 . . . . . . . . . . . . A . 21 GLN C . . . . . . . . . c30642_6pv1 1 . 10 . 4945 . 1 1 21 GLN CA C 0.473 4.792 -2.129 . . . 1.0 . . . . . . . . . . . . A . 21 GLN CA . . . . . . . . . c30642_6pv1 1 . 10 . 4946 . 1 1 21 GLN CB C 0.159 6.082 -2.890 . . . 1.0 . . . . . . . . . . . . A . 21 GLN CB . . . . . . . . . c30642_6pv1 1 . 10 . 4947 . 1 1 21 GLN CD C -1.163 7.165 -4.750 . . . 1.0 . . . . . . . . . . . . A . 21 GLN CD . . . . . . . . . c30642_6pv1 1 . 10 . 4948 . 1 1 21 GLN CG C -0.687 5.866 -4.134 . . . 1.0 . . . . . . . . . . . . A . 21 GLN CG . . . . . . . . . c30642_6pv1 1 . 10 . 4949 . 1 1 21 GLN H H -1.594 4.736 -1.634 . . . 1.0 . . . . . . . . . . . . A . 21 GLN H . . . . . . . . . c30642_6pv1 1 . 10 . 4950 . 1 1 21 GLN HA H 0.859 4.058 -2.820 . . . 1.0 . . . . . . . . . . . . A . 21 GLN HA . . . . . . . . . c30642_6pv1 1 . 10 . 4951 . 1 1 21 GLN HB2 H -0.371 6.755 -2.232 . . . 1.0 . . . . . . . . . . . . A . 21 GLN HB2 . . . . . . . . . c30642_6pv1 1 . 10 . 4952 . 1 1 21 GLN HB3 H 1.089 6.544 -3.190 . . . 1.0 . . . . . . . . . . . . A . 21 GLN HB3 . . . . . . . . . c30642_6pv1 1 . 10 . 4953 . 1 1 21 GLN HE21 H -1.125 6.342 -6.555 . . . 1.0 . . . . . . . . . . . . A . 21 GLN HE21 . . . . . . . . . c30642_6pv1 1 . 10 . 4954 . 1 1 21 GLN HE22 H -1.613 7.999 -6.493 . . . 1.0 . . . . . . . . . . . . A . 21 GLN HE22 . . . . . . . . . c30642_6pv1 1 . 10 . 4955 . 1 1 21 GLN HG2 H -0.099 5.333 -4.865 . . . 1.0 . . . . . . . . . . . . A . 21 GLN HG2 . . . . . . . . . c30642_6pv1 1 . 10 . 4956 . 1 1 21 GLN HG3 H -1.552 5.274 -3.868 . . . 1.0 . . . . . . . . . . . . A . 21 GLN HG3 . . . . . . . . . c30642_6pv1 1 . 10 . 4957 . 1 1 21 GLN N N -0.746 4.246 -1.531 . . . 1.0 . . . . . . . . . . . . A . 21 GLN N . . . . . . . . . c30642_6pv1 1 . 10 . 4958 . 1 1 21 GLN NE2 N -1.320 7.170 -6.062 . . . 1.0 . . . . . . . . . . . . A . 21 GLN NE2 . . . . . . . . . c30642_6pv1 1 . 10 . 4959 . 1 1 21 GLN O O 2.699 4.704 -1.207 . . . 1.0 . . . . . . . . . . . . A . 21 GLN O . . . . . . . . . c30642_6pv1 1 . 10 . 4960 . 1 1 21 GLN OE1 O -1.390 8.156 -4.054 . . . 1.0 . . . . . . . . . . . . A . 21 GLN OE1 . . . . . . . . . c30642_6pv1 1 . 10 . 4961 . 1 1 22 ARG C C 2.518 4.611 1.692 . . . 1.0 . . . . . . . . . . . . A . 22 ARG C . . . . . . . . . c30642_6pv1 1 . 10 . 4962 . 1 1 22 ARG CA C 1.912 5.920 1.205 . . . 1.0 . . . . . . . . . . . . A . 22 ARG CA . . . . . . . . . c30642_6pv1 1 . 10 . 4963 . 1 1 22 ARG CB C 1.051 6.541 2.307 . . . 1.0 . . . . . . . . . . . . A . 22 ARG CB . . . . . . . . . c30642_6pv1 1 . 10 . 4964 . 1 1 22 ARG CD C 0.804 7.363 4.654 . . . 1.0 . . . . . . . . . . . . A . 22 ARG CD . . . . . . . . . c30642_6pv1 1 . 10 . 4965 . 1 1 22 ARG CG C 1.778 6.841 3.607 . . . 1.0 . . . . . . . . . . . . A . 22 ARG CG . . . . . . . . . c30642_6pv1 1 . 10 . 4966 . 1 1 22 ARG CZ C 0.817 7.515 7.115 . . . 1.0 . . . . . . . . . . . . A . 22 ARG CZ . . . . . . . . . c30642_6pv1 1 . 10 . 4967 . 1 1 22 ARG H H 0.151 6.006 0.043 . . . 1.0 . . . . . . . . . . . . A . 22 ARG H . . . . . . . . . c30642_6pv1 1 . 10 . 4968 . 1 1 22 ARG HA H 2.699 6.603 0.935 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HA . . . . . . . . . c30642_6pv1 1 . 10 . 4969 . 1 1 22 ARG HB2 H 0.638 7.465 1.937 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HB2 . . . . . . . . . c30642_6pv1 1 . 10 . 4970 . 1 1 22 ARG HB3 H 0.239 5.864 2.525 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HB3 . . . . . . . . . c30642_6pv1 1 . 10 . 4971 . 1 1 22 ARG HD2 H 0.373 8.285 4.293 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HD2 . . . . . . . . . c30642_6pv1 1 . 10 . 4972 . 1 1 22 ARG HD3 H 0.018 6.634 4.791 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HD3 . . . . . . . . . c30642_6pv1 1 . 10 . 4973 . 1 1 22 ARG HE H 2.385 7.897 5.930 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HE . . . . . . . . . c30642_6pv1 1 . 10 . 4974 . 1 1 22 ARG HG2 H 2.240 5.934 3.972 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HG2 . . . . . . . . . c30642_6pv1 1 . 10 . 4975 . 1 1 22 ARG HG3 H 2.535 7.588 3.425 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HG3 . . . . . . . . . c30642_6pv1 1 . 10 . 4976 . 1 1 22 ARG HH11 H -0.905 7.011 8.059 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HH11 . . . . . . . . . c30642_6pv1 1 . 10 . 4977 . 1 1 22 ARG HH12 H -0.925 6.816 6.331 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HH12 . . . . . . . . . c30642_6pv1 1 . 10 . 4978 . 1 1 22 ARG HH21 H 0.999 7.747 9.119 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HH21 . . . . . . . . . c30642_6pv1 1 . 10 . 4979 . 1 1 22 ARG HH22 H 2.417 8.129 8.195 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HH22 . . . . . . . . . c30642_6pv1 1 . 10 . 4980 . 1 1 22 ARG N N 1.080 5.683 0.031 . . . 1.0 . . . . . . . . . . . . A . 22 ARG N . . . . . . . . . c30642_6pv1 1 . 10 . 4981 . 1 1 22 ARG NE N 1.442 7.617 5.942 . . . 1.0 . . . . . . . . . . . . A . 22 ARG NE . . . . . . . . . c30642_6pv1 1 . 10 . 4982 . 1 1 22 ARG NH1 N -0.439 7.085 7.174 . . . 1.0 . . . . . . . . . . . . A . 22 ARG NH1 . . . . . . . . . c30642_6pv1 1 . 10 . 4983 . 1 1 22 ARG NH2 N 1.461 7.821 8.233 . . . 1.0 . . . . . . . . . . . . A . 22 ARG NH2 . . . . . . . . . c30642_6pv1 1 . 10 . 4984 . 1 1 22 ARG O O 3.714 4.522 1.970 . . . 1.0 . . . . . . . . . . . . A . 22 ARG O . . . . . . . . . c30642_6pv1 1 . 10 . 4985 . 1 1 23 HIS C C 3.113 1.665 1.260 . . . 1.0 . . . . . . . . . . . . A . 23 HIS C . . . . . . . . . c30642_6pv1 1 . 10 . 4986 . 1 1 23 HIS CA C 2.090 2.278 2.216 . . . 1.0 . . . . . . . . . . . . A . 23 HIS CA . . . . . . . . . c30642_6pv1 1 . 10 . 4987 . 1 1 23 HIS CB C 0.861 1.375 2.344 . . . 1.0 . . . . . . . . . . . . A . 23 HIS CB . . . . . . . . . c30642_6pv1 1 . 10 . 4988 . 1 1 23 HIS CD2 C 1.400 -1.003 1.557 . . . 1.0 . . . . . . . . . . . . A . 23 HIS CD2 . . . . . . . . . c30642_6pv1 1 . 10 . 4989 . 1 1 23 HIS CE1 C 1.732 -1.975 3.474 . . . 1.0 . . . . . . . . . . . . A . 23 HIS CE1 . . . . . . . . . c30642_6pv1 1 . 10 . 4990 . 1 1 23 HIS CG C 1.195 -0.066 2.508 . . . 1.0 . . . . . . . . . . . . A . 23 HIS CG . . . . . . . . . c30642_6pv1 1 . 10 . 4991 . 1 1 23 HIS H H 0.738 3.737 1.521 . . . 1.0 . . . . . . . . . . . . A . 23 HIS H . . . . . . . . . c30642_6pv1 1 . 10 . 4992 . 1 1 23 HIS HA H 2.546 2.387 3.187 . . . 1.0 . . . . . . . . . . . . A . 23 HIS HA . . . . . . . . . c30642_6pv1 1 . 10 . 4993 . 1 1 23 HIS HB2 H 0.282 1.680 3.199 . . . 1.0 . . . . . . . . . . . . A . 23 HIS HB2 . . . . . . . . . c30642_6pv1 1 . 10 . 4994 . 1 1 23 HIS HB3 H 0.258 1.476 1.453 . . . 1.0 . . . . . . . . . . . . A . 23 HIS HB3 . . . . . . . . . c30642_6pv1 1 . 10 . 4995 . 1 1 23 HIS HD1 H 1.321 -0.286 4.618 . . . 1.0 . . . . . . . . . . . . A . 23 HIS HD1 . . . . . . . . . c30642_6pv1 1 . 10 . 4996 . 1 1 23 HIS HD2 H 1.295 -0.870 0.492 . . . 1.0 . . . . . . . . . . . . A . 23 HIS HD2 . . . . . . . . . c30642_6pv1 1 . 10 . 4997 . 1 1 23 HIS HE1 H 1.945 -2.726 4.219 . . . 1.0 . . . . . . . . . . . . A . 23 HIS HE1 . . . . . . . . . c30642_6pv1 1 . 10 . 4998 . 1 1 23 HIS N N 1.677 3.595 1.771 . . . 1.0 . . . . . . . . . . . . A . 23 HIS N . . . . . . . . . c30642_6pv1 1 . 10 . 4999 . 1 1 23 HIS ND1 N 1.401 -0.698 3.729 . . . 1.0 . . . . . . . . . . . . A . 23 HIS ND1 . . . . . . . . . c30642_6pv1 1 . 10 . 5000 . 1 1 23 HIS NE2 N 1.739 -2.172 2.181 . . . 1.0 . . . . . . . . . . . . A . 23 HIS NE2 . . . . . . . . . c30642_6pv1 1 . 10 . 5001 . 1 1 23 HIS O O 4.119 1.110 1.696 . . . 1.0 . . . . . . . . . . . . A . 23 HIS O . . . . . . . . . c30642_6pv1 1 . 10 . 5002 . 1 1 24 LYS C C 5.159 1.679 -0.912 . . . 1.0 . . . . . . . . . . . . A . 24 LYS C . . . . . . . . . c30642_6pv1 1 . 10 . 5003 . 1 1 24 LYS CA C 3.720 1.195 -1.064 . . . 1.0 . . . . . . . . . . . . A . 24 LYS CA . . . . . . . . . c30642_6pv1 1 . 10 . 5004 . 1 1 24 LYS CB C 3.210 1.547 -2.465 . . . 1.0 . . . . . . . . . . . . A . 24 LYS CB . . . . . . . . . c30642_6pv1 1 . 10 . 5005 . 1 1 24 LYS CD C 2.202 -0.647 -3.184 . . . 1.0 . . . . . . . . . . . . A . 24 LYS CD . . . . . . . . . c30642_6pv1 1 . 10 . 5006 . 1 1 24 LYS CE C 0.962 -1.329 -3.742 . . . 1.0 . . . . . . . . . . . . A . 24 LYS CE . . . . . . . . . c30642_6pv1 1 . 10 . 5007 . 1 1 24 LYS CG C 1.939 0.819 -2.879 . . . 1.0 . . . . . . . . . . . . A . 24 LYS CG . . . . . . . . . c30642_6pv1 1 . 10 . 5008 . 1 1 24 LYS H H 2.035 2.251 -0.317 . . . 1.0 . . . . . . . . . . . . A . 24 LYS H . . . . . . . . . c30642_6pv1 1 . 10 . 5009 . 1 1 24 LYS HA H 3.705 0.123 -0.944 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HA . . . . . . . . . c30642_6pv1 1 . 10 . 5010 . 1 1 24 LYS HB2 H 3.016 2.608 -2.504 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HB2 . . . . . . . . . c30642_6pv1 1 . 10 . 5011 . 1 1 24 LYS HB3 H 3.983 1.308 -3.181 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HB3 . . . . . . . . . c30642_6pv1 1 . 10 . 5012 . 1 1 24 LYS HD2 H 2.997 -0.716 -3.910 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HD2 . . . . . . . . . c30642_6pv1 1 . 10 . 5013 . 1 1 24 LYS HD3 H 2.498 -1.146 -2.275 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HD3 . . . . . . . . . c30642_6pv1 1 . 10 . 5014 . 1 1 24 LYS HE2 H 0.190 -1.315 -2.990 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HE2 . . . . . . . . . c30642_6pv1 1 . 10 . 5015 . 1 1 24 LYS HE3 H 0.628 -0.782 -4.611 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HE3 . . . . . . . . . c30642_6pv1 1 . 10 . 5016 . 1 1 24 LYS HG2 H 1.220 0.884 -2.076 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HG2 . . . . . . . . . c30642_6pv1 1 . 10 . 5017 . 1 1 24 LYS HG3 H 1.538 1.294 -3.763 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HG3 . . . . . . . . . c30642_6pv1 1 . 10 . 5018 . 1 1 24 LYS HZ1 H 0.373 -3.171 -4.532 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HZ1 . . . . . . . . . c30642_6pv1 1 . 10 . 5019 . 1 1 24 LYS HZ2 H 1.525 -3.291 -3.304 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HZ2 . . . . . . . . . c30642_6pv1 1 . 10 . 5020 . 1 1 24 LYS HZ3 H 1.985 -2.775 -4.846 . . . 1.0 . . . . . . . . . . . . A . 24 LYS HZ3 . . . . . . . . . c30642_6pv1 1 . 10 . 5021 . 1 1 24 LYS N N 2.848 1.771 -0.037 . . . 1.0 . . . . . . . . . . . . A . 24 LYS N . . . . . . . . . c30642_6pv1 1 . 10 . 5022 . 1 1 24 LYS NZ N 1.229 -2.739 -4.131 . . . 1.0 . . . . . . . . . . . . A . 24 LYS NZ . . . . . . . . . c30642_6pv1 1 . 10 . 5023 . 1 1 24 LYS O O 6.103 0.971 -1.281 . . . 1.0 . . . . . . . . . . . . A . 24 LYS O . . . . . . . . . c30642_6pv1 1 . 10 . 5024 . 1 1 25 ARG C C 7.520 2.595 0.763 . . . 1.0 . . . . . . . . . . . . A . 25 ARG C . . . . . . . . . c30642_6pv1 1 . 10 . 5025 . 1 1 25 ARG CA C 6.645 3.461 -0.146 . . . 1.0 . . . . . . . . . . . . A . 25 ARG CA . . . . . . . . . c30642_6pv1 1 . 10 . 5026 . 1 1 25 ARG CB C 6.524 4.867 0.445 . . . 1.0 . . . . . . . . . . . . A . 25 ARG CB . . . . . . . . . c30642_6pv1 1 . 10 . 5027 . 1 1 25 ARG CD C 5.633 7.208 0.218 . . . 1.0 . . . . . . . . . . . . A . 25 ARG CD . . . . . . . . . c30642_6pv1 1 . 10 . 5028 . 1 1 25 ARG CG C 5.739 5.834 -0.426 . . . 1.0 . . . . . . . . . . . . A . 25 ARG CG . . . . . . . . . c30642_6pv1 1 . 10 . 5029 . 1 1 25 ARG CZ C 7.166 8.960 1.050 . . . 1.0 . . . . . . . . . . . . A . 25 ARG CZ . . . . . . . . . c30642_6pv1 1 . 10 . 5030 . 1 1 25 ARG H H 4.526 3.374 -0.046 . . . 1.0 . . . . . . . . . . . . A . 25 ARG H . . . . . . . . . c30642_6pv1 1 . 10 . 5031 . 1 1 25 ARG HA H 7.116 3.529 -1.113 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HA . . . . . . . . . c30642_6pv1 1 . 10 . 5032 . 1 1 25 ARG HB2 H 6.030 4.798 1.402 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HB2 . . . . . . . . . c30642_6pv1 1 . 10 . 5033 . 1 1 25 ARG HB3 H 7.516 5.268 0.589 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HB3 . . . . . . . . . c30642_6pv1 1 . 10 . 5034 . 1 1 25 ARG HD2 H 4.954 7.813 -0.365 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HD2 . . . . . . . . . c30642_6pv1 1 . 10 . 5035 . 1 1 25 ARG HD3 H 5.241 7.092 1.218 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HD3 . . . . . . . . . c30642_6pv1 1 . 10 . 5036 . 1 1 25 ARG HE H 7.657 7.532 -0.263 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HE . . . . . . . . . c30642_6pv1 1 . 10 . 5037 . 1 1 25 ARG HG2 H 6.241 5.932 -1.378 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HG2 . . . . . . . . . c30642_6pv1 1 . 10 . 5038 . 1 1 25 ARG HG3 H 4.745 5.440 -0.581 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HG3 . . . . . . . . . c30642_6pv1 1 . 10 . 5039 . 1 1 25 ARG HH11 H 6.397 10.277 2.387 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HH11 . . . . . . . . . c30642_6pv1 1 . 10 . 5040 . 1 1 25 ARG HH12 H 5.296 9.059 1.825 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HH12 . . . . . . . . . c30642_6pv1 1 . 10 . 5041 . 1 1 25 ARG HH21 H 9.093 9.130 0.452 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HH21 . . . . . . . . . c30642_6pv1 1 . 10 . 5042 . 1 1 25 ARG HH22 H 8.559 10.329 1.594 . . . 1.0 . . . . . . . . . . . . A . 25 ARG HH22 . . . . . . . . . c30642_6pv1 1 . 10 . 5043 . 1 1 25 ARG N N 5.322 2.872 -0.341 . . . 1.0 . . . . . . . . . . . . A . 25 ARG N . . . . . . . . . c30642_6pv1 1 . 10 . 5044 . 1 1 25 ARG NE N 6.925 7.889 0.294 . . . 1.0 . . . . . . . . . . . . A . 25 ARG NE . . . . . . . . . c30642_6pv1 1 . 10 . 5045 . 1 1 25 ARG NH1 N 6.211 9.471 1.817 . . . 1.0 . . . . . . . . . . . . A . 25 ARG NH1 . . . . . . . . . c30642_6pv1 1 . 10 . 5046 . 1 1 25 ARG NH2 N 8.368 9.517 1.033 . . . 1.0 . . . . . . . . . . . . A . 25 ARG NH2 . . . . . . . . . c30642_6pv1 1 . 10 . 5047 . 1 1 25 ARG O O 8.738 2.764 0.796 . . . 1.0 . . . . . . . . . . . . A . 25 ARG O . . . . . . . . . c30642_6pv1 1 . 10 . 5048 . 1 1 26 THR C C 8.324 -0.338 1.611 . . . 1.0 . . . . . . . . . . . . A . 26 THR C . . . . . . . . . c30642_6pv1 1 . 10 . 5049 . 1 1 26 THR CA C 7.657 0.797 2.387 . . . 1.0 . . . . . . . . . . . . A . 26 THR CA . . . . . . . . . c30642_6pv1 1 . 10 . 5050 . 1 1 26 THR CB C 6.764 0.193 3.492 . . . 1.0 . . . . . . . . . . . . A . 26 THR CB . . . . . . . . . c30642_6pv1 1 . 10 . 5051 . 1 1 26 THR CG2 C 6.187 1.281 4.385 . . . 1.0 . . . . . . . . . . . . A . 26 THR CG2 . . . . . . . . . c30642_6pv1 1 . 10 . 5052 . 1 1 26 THR H H 5.931 1.588 1.443 . . . 1.0 . . . . . . . . . . . . A . 26 THR H . . . . . . . . . c30642_6pv1 1 . 10 . 5053 . 1 1 26 THR HA H 8.425 1.388 2.862 . . . 1.0 . . . . . . . . . . . . A . 26 THR HA . . . . . . . . . c30642_6pv1 1 . 10 . 5054 . 1 1 26 THR HB H 7.369 -0.463 4.100 . . . 1.0 . . . . . . . . . . . . A . 26 THR HB . . . . . . . . . c30642_6pv1 1 . 10 . 5055 . 1 1 26 THR HG1 H 5.014 0.035 2.579 . . . 1.0 . . . . . . . . . . . . A . 26 THR HG1 . . . . . . . . . c30642_6pv1 1 . 10 . 5056 . 1 1 26 THR HG21 H 6.992 1.832 4.847 . . . 1.0 . . . . . . . . . . . . A . 26 THR HG21 . . . . . . . . . c30642_6pv1 1 . 10 . 5057 . 1 1 26 THR HG22 H 5.572 0.830 5.150 . . . 1.0 . . . . . . . . . . . . A . 26 THR HG22 . . . . . . . . . c30642_6pv1 1 . 10 . 5058 . 1 1 26 THR HG23 H 5.586 1.952 3.790 . . . 1.0 . . . . . . . . . . . . A . 26 THR HG23 . . . . . . . . . c30642_6pv1 1 . 10 . 5059 . 1 1 26 THR N N 6.907 1.676 1.499 . . . 1.0 . . . . . . . . . . . . A . 26 THR N . . . . . . . . . c30642_6pv1 1 . 10 . 5060 . 1 1 26 THR O O 9.404 -0.805 1.981 . . . 1.0 . . . . . . . . . . . . A . 26 THR O . . . . . . . . . c30642_6pv1 1 . 10 . 5061 . 1 1 26 THR OG1 O 5.697 -0.568 2.912 . . . 1.0 . . . . . . . . . . . . A . 26 THR OG1 . . . . . . . . . c30642_6pv1 1 . 10 . 5062 . 1 1 27 HIS C C 9.182 -1.376 -1.310 . . . 1.0 . . . . . . . . . . . . A . 27 HIS C . . . . . . . . . c30642_6pv1 1 . 10 . 5063 . 1 1 27 HIS CA C 8.207 -1.884 -0.261 . . . 1.0 . . . . . . . . . . . . A . 27 HIS CA . . . . . . . . . c30642_6pv1 1 . 10 . 5064 . 1 1 27 HIS CB C 7.094 -2.648 -0.986 . . . 1.0 . . . . . . . . . . . . A . 27 HIS CB . . . . . . . . . c30642_6pv1 1 . 10 . 5065 . 1 1 27 HIS CD2 C 4.723 -2.961 -0.052 . . . 1.0 . . . . . . . . . . . . A . 27 HIS CD2 . . . . . . . . . c30642_6pv1 1 . 10 . 5066 . 1 1 27 HIS CE1 C 5.043 -4.659 1.275 . . . 1.0 . . . . . . . . . . . . A . 27 HIS CE1 . . . . . . . . . c30642_6pv1 1 . 10 . 5067 . 1 1 27 HIS CG C 6.040 -3.254 -0.117 . . . 1.0 . . . . . . . . . . . . A . 27 HIS CG . . . . . . . . . c30642_6pv1 1 . 10 . 5068 . 1 1 27 HIS H H 6.846 -0.342 0.259 . . . 1.0 . . . . . . . . . . . . A . 27 HIS H . . . . . . . . . c30642_6pv1 1 . 10 . 5069 . 1 1 27 HIS HA H 8.724 -2.557 0.405 . . . 1.0 . . . . . . . . . . . . A . 27 HIS HA . . . . . . . . . c30642_6pv1 1 . 10 . 5070 . 1 1 27 HIS HB2 H 6.595 -1.973 -1.662 . . . 1.0 . . . . . . . . . . . . A . 27 HIS HB2 . . . . . . . . . c30642_6pv1 1 . 10 . 5071 . 1 1 27 HIS HB3 H 7.542 -3.448 -1.561 . . . 1.0 . . . . . . . . . . . . A . 27 HIS HB3 . . . . . . . . . c30642_6pv1 1 . 10 . 5072 . 1 1 27 HIS HD1 H 7.097 -4.790 0.911 . . . 1.0 . . . . . . . . . . . . A . 27 HIS HD1 . . . . . . . . . c30642_6pv1 1 . 10 . 5073 . 1 1 27 HIS HD2 H 4.214 -2.176 -0.588 . . . 1.0 . . . . . . . . . . . . A . 27 HIS HD2 . . . . . . . . . c30642_6pv1 1 . 10 . 5074 . 1 1 27 HIS HE1 H 4.865 -5.472 1.964 . . . 1.0 . . . . . . . . . . . . A . 27 HIS HE1 . . . . . . . . . c30642_6pv1 1 . 10 . 5075 . 1 1 27 HIS N N 7.681 -0.778 0.532 . . . 1.0 . . . . . . . . . . . . A . 27 HIS N . . . . . . . . . c30642_6pv1 1 . 10 . 5076 . 1 1 27 HIS ND1 N 6.240 -4.334 0.741 . . . 1.0 . . . . . . . . . . . . A . 27 HIS ND1 . . . . . . . . . c30642_6pv1 1 . 10 . 5077 . 1 1 27 HIS NE2 N 4.128 -3.848 0.814 . . . 1.0 . . . . . . . . . . . . A . 27 HIS NE2 . . . . . . . . . c30642_6pv1 1 . 10 . 5078 . 1 1 27 HIS O O 10.304 -1.873 -1.428 . . . 1.0 . . . . . . . . . . . . A . 27 HIS O . . . . . . . . . c30642_6pv1 1 . 10 . 5079 . 1 1 28 THR C C 9.162 1.520 -3.556 . . . 1.0 . . . . . . . . . . . . A . 28 THR C . . . . . . . . . c30642_6pv1 1 . 10 . 5080 . 1 1 28 THR CA C 9.500 0.066 -3.229 . . . 1.0 . . . . . . . . . . . . A . 28 THR CA . . . . . . . . . c30642_6pv1 1 . 10 . 5081 . 1 1 28 THR CB C 9.212 -0.850 -4.444 . . . 1.0 . . . . . . . . . . . . A . 28 THR CB . . . . . . . . . c30642_6pv1 1 . 10 . 5082 . 1 1 28 THR CG2 C 7.738 -0.811 -4.818 . . . 1.0 . . . . . . . . . . . . A . 28 THR CG2 . . . . . . . . . c30642_6pv1 1 . 10 . 5083 . 1 1 28 THR H H 7.909 0.076 -1.843 . . . 1.0 . . . . . . . . . . . . A . 28 THR H . . . . . . . . . c30642_6pv1 1 . 10 . 5084 . 1 1 28 THR HA H 10.551 -0.004 -2.990 . . . 1.0 . . . . . . . . . . . . A . 28 THR HA . . . . . . . . . c30642_6pv1 1 . 10 . 5085 . 1 1 28 THR HB H 9.465 -1.864 -4.171 . . . 1.0 . . . . . . . . . . . . A . 28 THR HB . . . . . . . . . c30642_6pv1 1 . 10 . 5086 . 1 1 28 THR HG1 H 10.630 -1.173 -5.780 . . . 1.0 . . . . . . . . . . . . A . 28 THR HG1 . . . . . . . . . c30642_6pv1 1 . 10 . 5087 . 1 1 28 THR HG21 H 7.443 0.210 -5.005 . . . 1.0 . . . . . . . . . . . . A . 28 THR HG21 . . . . . . . . . c30642_6pv1 1 . 10 . 5088 . 1 1 28 THR HG22 H 7.149 -1.213 -4.006 . . . 1.0 . . . . . . . . . . . . A . 28 THR HG22 . . . . . . . . . c30642_6pv1 1 . 10 . 5089 . 1 1 28 THR HG23 H 7.577 -1.400 -5.708 . . . 1.0 . . . . . . . . . . . . A . 28 THR HG23 . . . . . . . . . c30642_6pv1 1 . 10 . 5090 . 1 1 28 THR N N 8.749 -0.382 -2.073 . . . 1.0 . . . . . . . . . . . . A . 28 THR N . . . . . . . . . c30642_6pv1 1 . 10 . 5091 . 1 1 28 THR O O 8.365 2.151 -2.857 . . . 1.0 . . . . . . . . . . . . A . 28 THR O . . . . . . . . . c30642_6pv1 1 . 10 . 5092 . 1 1 28 THR OG1 O 10.005 -0.468 -5.575 . . . 1.0 . . . . . . . . . . . . A . 28 THR OG1 . . . . . . . . . c30642_6pv1 1 . 10 . 5093 . 1 1 29 GLY C C 10.708 4.296 -4.457 . . . 1.0 . . . . . . . . . . . . A . 29 GLY C . . . . . . . . . c30642_6pv1 1 . 10 . 5094 . 1 1 29 GLY CA C 9.576 3.437 -4.967 . . . 1.0 . . . . . . . . . . . . A . 29 GLY CA . . . . . . . . . c30642_6pv1 1 . 10 . 5095 . 1 1 29 GLY H H 10.375 1.484 -5.145 . . . 1.0 . . . . . . . . . . . . A . 29 GLY H . . . . . . . . . c30642_6pv1 1 . 10 . 5096 . 1 1 29 GLY HA2 H 9.525 3.519 -6.044 . . . 1.0 . . . . . . . . . . . . A . 29 GLY HA2 . . . . . . . . . c30642_6pv1 1 . 10 . 5097 . 1 1 29 GLY HA3 H 8.649 3.788 -4.541 . . . 1.0 . . . . . . . . . . . . A . 29 GLY HA3 . . . . . . . . . c30642_6pv1 1 . 10 . 5098 . 1 1 29 GLY N N 9.773 2.049 -4.606 . . . 1.0 . . . . . . . . . . . . A . 29 GLY N . . . . . . . . . c30642_6pv1 1 . 10 . 5099 . 1 1 29 GLY O O 11.187 5.194 -5.150 . . . 1.0 . . . . . . . . . . . . A . 29 GLY O . . . . . . . . . c30642_6pv1 1 . 10 . 5100 . 1 1 30 GLU C C 12.807 3.831 -1.496 . . . 1.0 . . . . . . . . . . . . A . 30 GLU C . . . . . . . . . c30642_6pv1 1 . 10 . 5101 . 1 1 30 GLU CA C 12.260 4.687 -2.627 . . . 1.0 . . . . . . . . . . . . A . 30 GLU CA . . . . . . . . . c30642_6pv1 1 . 10 . 5102 . 1 1 30 GLU CB C 11.828 6.058 -2.103 . . . 1.0 . . . . . . . . . . . . A . 30 GLU CB . . . . . . . . . c30642_6pv1 1 . 10 . 5103 . 1 1 30 GLU CD C 10.420 7.385 -0.511 . . . 1.0 . . . . . . . . . . . . A . 30 GLU CD . . . . . . . . . c30642_6pv1 1 . 10 . 5104 . 1 1 30 GLU CG C 10.774 6.008 -1.012 . . . 1.0 . . . . . . . . . . . . A . 30 GLU CG . . . . . . . . . c30642_6pv1 1 . 10 . 5105 . 1 1 30 GLU H H 10.697 3.285 -2.744 . . . 1.0 . . . . . . . . . . . . A . 30 GLU H . . . . . . . . . c30642_6pv1 1 . 10 . 5106 . 1 1 30 GLU HA H 13.029 4.815 -3.376 . . . 1.0 . . . . . . . . . . . . A . 30 GLU HA . . . . . . . . . c30642_6pv1 1 . 10 . 5107 . 1 1 30 GLU HB2 H 12.693 6.565 -1.711 . . . 1.0 . . . . . . . . . . . . A . 30 GLU HB2 . . . . . . . . . c30642_6pv1 1 . 10 . 5108 . 1 1 30 GLU HB3 H 11.430 6.633 -2.928 . . . 1.0 . . . . . . . . . . . . A . 30 GLU HB3 . . . . . . . . . c30642_6pv1 1 . 10 . 5109 . 1 1 30 GLU HG2 H 9.882 5.543 -1.407 . . . 1.0 . . . . . . . . . . . . A . 30 GLU HG2 . . . . . . . . . c30642_6pv1 1 . 10 . 5110 . 1 1 30 GLU HG3 H 11.151 5.423 -0.186 . . . 1.0 . . . . . . . . . . . . A . 30 GLU HG3 . . . . . . . . . c30642_6pv1 1 . 10 . 5111 . 1 1 30 GLU N N 11.143 4.000 -3.245 . . . 1.0 . . . . . . . . . . . . A . 30 GLU N . . . . . . . . . c30642_6pv1 1 . 10 . 5112 . 1 1 30 GLU O O 12.122 2.933 -1.005 . . . 1.0 . . . . . . . . . . . . A . 30 GLU O . . . . . . . . . c30642_6pv1 1 . 10 . 5113 . 1 1 30 GLU OE1 O 11.124 7.899 0.381 . . . 1.0 . . . . . . . . . . . . A . 30 GLU OE1 . . . . . . . . . c30642_6pv1 1 . 10 . 5114 . 1 1 30 GLU OE2 O 9.443 7.973 -1.018 . . . 1.0 . . . . . . . . . . . . A . 30 GLU OE2 . . . . . . . . . c30642_6pv1 1 . 10 . 5115 . 1 1 31 LYS C C 15.261 4.169 1.025 . . . 1.0 . . . . . . . . . . . . A . 31 LYS C . . . . . . . . . c30642_6pv1 1 . 10 . 5116 . 1 1 31 LYS CA C 14.701 3.291 -0.084 . . . 1.0 . . . . . . . . . . . . A . 31 LYS CA . . . . . . . . . c30642_6pv1 1 . 10 . 5117 . 1 1 31 LYS CB C 15.823 2.473 -0.731 . . . 1.0 . . . . . . . . . . . . A . 31 LYS CB . . . . . . . . . c30642_6pv1 1 . 10 . 5118 . 1 1 31 LYS CD C 16.489 0.953 -2.626 . . . 1.0 . . . . . . . . . . . . A . 31 LYS CD . . . . . . . . . c30642_6pv1 1 . 10 . 5119 . 1 1 31 LYS CE C 17.195 2.038 -3.427 . . . 1.0 . . . . . . . . . . . . A . 31 LYS CE . . . . . . . . . c30642_6pv1 1 . 10 . 5120 . 1 1 31 LYS CG C 15.337 1.519 -1.811 . . . 1.0 . . . . . . . . . . . . A . 31 LYS CG . . . . . . . . . c30642_6pv1 1 . 10 . 5121 . 1 1 31 LYS H H 14.503 4.884 -1.462 . . . 1.0 . . . . . . . . . . . . A . 31 LYS H . . . . . . . . . c30642_6pv1 1 . 10 . 5122 . 1 1 31 LYS HA H 13.970 2.617 0.337 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HA . . . . . . . . . c30642_6pv1 1 . 10 . 5123 . 1 1 31 LYS HB2 H 16.536 3.149 -1.173 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HB2 . . . . . . . . . c30642_6pv1 1 . 10 . 5124 . 1 1 31 LYS HB3 H 16.316 1.893 0.036 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HB3 . . . . . . . . . c30642_6pv1 1 . 10 . 5125 . 1 1 31 LYS HD2 H 17.202 0.496 -1.956 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HD2 . . . . . . . . . c30642_6pv1 1 . 10 . 5126 . 1 1 31 LYS HD3 H 16.104 0.209 -3.307 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HD3 . . . . . . . . . c30642_6pv1 1 . 10 . 5127 . 1 1 31 LYS HE2 H 16.463 2.573 -4.011 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HE2 . . . . . . . . . c30642_6pv1 1 . 10 . 5128 . 1 1 31 LYS HE3 H 17.676 2.720 -2.741 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HE3 . . . . . . . . . c30642_6pv1 1 . 10 . 5129 . 1 1 31 LYS HG2 H 14.809 0.703 -1.342 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HG2 . . . . . . . . . c30642_6pv1 1 . 10 . 5130 . 1 1 31 LYS HG3 H 14.669 2.052 -2.471 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HG3 . . . . . . . . . c30642_6pv1 1 . 10 . 5131 . 1 1 31 LYS HZ1 H 18.918 0.922 -3.808 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HZ1 . . . . . . . . . c30642_6pv1 1 . 10 . 5132 . 1 1 31 LYS HZ2 H 18.713 2.242 -4.844 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HZ2 . . . . . . . . . c30642_6pv1 1 . 10 . 5133 . 1 1 31 LYS HZ3 H 17.769 0.856 -5.047 . . . 1.0 . . . . . . . . . . . . A . 31 LYS HZ3 . . . . . . . . . c30642_6pv1 1 . 10 . 5134 . 1 1 31 LYS N N 14.035 4.104 -1.088 . . . 1.0 . . . . . . . . . . . . A . 31 LYS N . . . . . . . . . c30642_6pv1 1 . 10 . 5135 . 1 1 31 LYS NZ N 18.221 1.475 -4.344 . . . 1.0 . . . . . . . . . . . . A . 31 LYS NZ . . . . . . . . . c30642_6pv1 1 . 10 . 5136 . 1 1 31 LYS O O 14.655 4.321 2.085 . . . 1.0 . . . . . . . . . . . . A . 31 LYS O . . . . . . . . . c30642_6pv1 1 . 10 . 5137 . 1 1 32 NH2 HN1 H 16.848 4.584 -0.089 . . . 1.0 . . . . . . . . . . . . A . 32 NH2 HN1 . . . . . . . . . c30642_6pv1 1 . 10 . 5138 . 1 1 32 NH2 HN2 H 16.808 5.325 1.474 . . . 1.0 . . . . . . . . . . . . A . 32 NH2 HN2 . . . . . . . . . c30642_6pv1 1 . 10 . 5139 . 1 1 32 NH2 N N 16.421 4.749 0.779 . . . 1.0 . . . . . . . . . . . . A . 32 NH2 N . . . . . . . . . c30642_6pv1 1 . 10 . 5140 . 2 2 1 ZN ZN Zn 2.182 -3.861 1.239 . . . 1.0 . . . . . . . . . . . . A . 101 ZN ZN . . . . . . . . . c30642_6pv1 1 stop_ save_ save_constraint_statistics _Constraint_stat_list.Sf_framecode constraint_statistics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID c30642_6pv1 _Constraint_stat_list.ID 1 loop_ _Constraint_file.ID _Constraint_file.Constraint_filename _Constraint_file.Software_ID _Constraint_file.Software_label _Constraint_file.Software_name _Constraint_file.Block_ID _Constraint_file.Constraint_type _Constraint_file.Constraint_subtype _Constraint_file.Constraint_subsubtype _Constraint_file.Constraint_number _Constraint_file.Entry_ID _Constraint_file.Constraint_stat_list_ID 1 6pv1.mr . . 'MR format' 1 comment 'Not applicable' 'Not applicable' 0 c30642_6pv1 1 1 6pv1.mr . . XPLOR/CNS 2 distance NOE ambi 457 c30642_6pv1 1 1 6pv1.mr . . XPLOR/CNS 3 distance 'hydrogen bond' simple 30 c30642_6pv1 1 1 6pv1.mr . . XPLOR/CNS 4 'dihedral angle' 'Not applicable' 'Not applicable' 13 c30642_6pv1 1 1 6pv1.mr . . 'MR format' 5 'nomenclature mapping' 'Not applicable' 'Not applicable' 0 c30642_6pv1 1 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_2 _Gen_dist_constraint_list.Entry_ID c30642_6pv1 _Gen_dist_constraint_list.ID 1 _Gen_dist_constraint_list.Constraint_type NOE _Gen_dist_constraint_list.Details 'Generated by Wattos' _Gen_dist_constraint_list.Constraint_file_ID 1 _Gen_dist_constraint_list.Block_ID 2 loop_ _Gen_dist_constraint_software.Software_ID _Gen_dist_constraint_software.Software_label _Gen_dist_constraint_software.Method_ID _Gen_dist_constraint_software.Method_label _Gen_dist_constraint_software.Entry_ID _Gen_dist_constraint_software.Gen_dist_constraint_list_ID . . . . c30642_6pv1 1 stop_ loop_ _Gen_dist_constraint.ID _Gen_dist_constraint.Member_ID _Gen_dist_constraint.Member_logic_code _Gen_dist_constraint.Assembly_atom_ID_1 _Gen_dist_constraint.Entity_assembly_ID_1 _Gen_dist_constraint.Entity_ID_1 _Gen_dist_constraint.Comp_index_ID_1 _Gen_dist_constraint.Seq_ID_1 _Gen_dist_constraint.Comp_ID_1 _Gen_dist_constraint.Atom_ID_1 _Gen_dist_constraint.Atom_type_1 _Gen_dist_constraint.Atom_isotope_number_1 _Gen_dist_constraint.Resonance_ID_1 _Gen_dist_constraint.Assembly_atom_ID_2 _Gen_dist_constraint.Entity_assembly_ID_2 _Gen_dist_constraint.Entity_ID_2 _Gen_dist_constraint.Comp_index_ID_2 _Gen_dist_constraint.Seq_ID_2 _Gen_dist_constraint.Comp_ID_2 _Gen_dist_constraint.Atom_ID_2 _Gen_dist_constraint.Atom_type_2 _Gen_dist_constraint.Atom_isotope_number_2 _Gen_dist_constraint.Resonance_ID_2 _Gen_dist_constraint.Intensity_val _Gen_dist_constraint.Intensity_lower_val_err _Gen_dist_constraint.Intensity_upper_val_err _Gen_dist_constraint.Distance_val _Gen_dist_constraint.Distance_lower_bound_val _Gen_dist_constraint.Distance_upper_bound_val _Gen_dist_constraint.Contribution_fractional_val _Gen_dist_constraint.Spectral_peak_ID _Gen_dist_constraint.Spectral_peak_list_ID _Gen_dist_constraint.PDB_record_ID_1 _Gen_dist_constraint.PDB_model_num_1 _Gen_dist_constraint.PDB_strand_ID_1 _Gen_dist_constraint.PDB_ins_code_1 _Gen_dist_constraint.PDB_residue_no_1 _Gen_dist_constraint.PDB_residue_name_1 _Gen_dist_constraint.PDB_atom_name_1 _Gen_dist_constraint.PDB_record_ID_2 _Gen_dist_constraint.PDB_model_num_2 _Gen_dist_constraint.PDB_strand_ID_2 _Gen_dist_constraint.PDB_ins_code_2 _Gen_dist_constraint.PDB_residue_no_2 _Gen_dist_constraint.PDB_residue_name_2 _Gen_dist_constraint.PDB_atom_name_2 _Gen_dist_constraint.Auth_entity_assembly_ID_1 _Gen_dist_constraint.Auth_asym_ID_1 _Gen_dist_constraint.Auth_chain_ID_1 _Gen_dist_constraint.Auth_seq_ID_1 _Gen_dist_constraint.Auth_comp_ID_1 _Gen_dist_constraint.Auth_atom_ID_1 _Gen_dist_constraint.Auth_alt_ID_1 _Gen_dist_constraint.Auth_atom_name_1 _Gen_dist_constraint.Auth_entity_assembly_ID_2 _Gen_dist_constraint.Auth_asym_ID_2 _Gen_dist_constraint.Auth_chain_ID_2 _Gen_dist_constraint.Auth_seq_ID_2 _Gen_dist_constraint.Auth_comp_ID_2 _Gen_dist_constraint.Auth_atom_ID_2 _Gen_dist_constraint.Auth_alt_ID_2 _Gen_dist_constraint.Auth_atom_name_2 _Gen_dist_constraint.Entry_ID _Gen_dist_constraint.Gen_dist_constraint_list_ID 1 1 OR . 1 1 30 30 GLU HB3 H . . . 1 1 30 30 GLU HG2 H . . . . . 1.781 1.384 2.178 . . . . . A . 30 GLU HB3 . . A . 30 GLU HG2 . . . 30 . HB2 . . . . . 30 . HG1 . . c30642_6pv1 1 1 2 OR . 1 1 30 30 GLU HB3 H . . . 1 1 30 30 GLU HG3 H . . . . . 1.781 1.384 2.178 . . . . . A . 30 GLU HB3 . . A . 30 GLU HG3 . . . 30 . HB2 . . . . . 30 . HG2 . . c30642_6pv1 1 1 3 OR . 1 1 19 19 GLU HB2 H . . . 1 1 19 19 GLU HG2 H . . . . . 1.781 1.384 2.178 . . . . . A . 19 GLU HB2 . . A . 19 GLU HG2 . . . 19 . HB1 . . . . . 19 . HG1 . . c30642_6pv1 1 1 4 OR . 1 1 19 19 GLU HG3 H . . . 1 1 19 19 GLU HB2 H . . . . . 1.781 1.384 2.178 . . . . . A . 19 GLU HG3 . . A . 19 GLU HB2 . . . 19 . HG2 . . . . . 19 . HB1 . . c30642_6pv1 1 2 1 OR . 1 1 19 19 GLU HG2 H . . . 1 1 19 19 GLU HA H . . . . . 2.093 1.545 2.641 . . . . . A . 19 GLU HG2 . . A . 19 GLU HA . . . 19 . HG1 . . . . . 19 . HA . . c30642_6pv1 1 2 2 OR . 1 1 19 19 GLU HG3 H . . . 1 1 19 19 GLU HA H . . . . . 2.093 1.545 2.641 . . . . . A . 19 GLU HG3 . . A . 19 GLU HA . . . 19 . HG2 . . . . . 19 . HA . . c30642_6pv1 1 2 3 OR . 1 1 21 21 GLN HA H . . . 1 1 21 21 GLN HB2 H . . . . . 2.093 1.545 2.641 . . . . . A . 21 GLN HA . . A . 21 GLN HB2 . . . 21 . HA . . . . . 21 . HB1 . . c30642_6pv1 1 2 4 OR . 1 1 21 21 GLN HA H . . . 1 1 21 21 GLN HB3 H . . . . . 2.093 1.545 2.641 . . . . . A . 21 GLN HA . . A . 21 GLN HB3 . . . 21 . HA . . . . . 21 . HB2 . . c30642_6pv1 1 3 1 OR . 1 1 24 24 LYS HE3 H . . . 1 1 24 24 LYS HD2 H . . . . . 2.109 1.553 2.665 . . . . . A . 24 LYS HE3 . . A . 24 LYS HD2 . . . 24 . HE2 . . . . . 24 . HD1 . . c30642_6pv1 1 3 2 OR . 1 1 25 25 ARG HD2 H . . . 1 1 25 25 ARG HB2 H . . . . . 2.109 1.553 2.665 . . . . . A . 25 ARG HD2 . . A . 25 ARG HB2 . . . 25 . HD1 . . . . . 25 . HB1 . . c30642_6pv1 1 3 3 OR . 1 1 24 24 LYS HD3 H . . . 1 1 24 24 LYS HE3 H . . . . . 2.109 1.553 2.665 . . . . . A . 24 LYS HD3 . . A . 24 LYS HE3 . . . 24 . HD2 . . . . . 24 . HE2 . . c30642_6pv1 1 3 4 OR . 1 1 25 25 ARG HD3 H . . . 1 1 25 25 ARG HB2 H . . . . . 2.109 1.553 2.665 . . . . . A . 25 ARG HD3 . . A . 25 ARG HB2 . . . 25 . HD2 . . . . . 25 . HB1 . . c30642_6pv1 1 3 5 OR . 1 1 25 25 ARG HB3 H . . . 1 1 25 25 ARG HD3 H . . . . . 2.109 1.553 2.665 . . . . . A . 25 ARG HB3 . . A . 25 ARG HD3 . . . 25 . HB2 . . . . . 25 . HD2 . . c30642_6pv1 1 3 6 OR . 1 1 25 25 ARG HB3 H . . . 1 1 25 25 ARG HD2 H . . . . . 2.109 1.553 2.665 . . . . . A . 25 ARG HB3 . . A . 25 ARG HD2 . . . 25 . HB2 . . . . . 25 . HD1 . . c30642_6pv1 1 4 1 OR . 1 1 20 20 LEU HG H . . . 1 1 20 20 LEU MD2 H . . . . . 2.207 1.598 2.816 . . . . . A . 20 LEU HG . . A . 20 LEU MD2 . . . 20 . HG . . . . . 20 . HD21 . . c30642_6pv1 1 4 2 OR . 1 1 4 4 NLE HB2 H . . . 1 1 4 4 NLE HG3 H . . . . . 2.207 1.598 2.816 . . . . . A . 4 NLE HB2 . . A . 4 NLE HG3 . . . 4 . HB1 . . . . . 4 . HG2 . . c30642_6pv1 1 5 1 OR . 1 1 9 9 GLY HA2 H . . . 1 1 10 10 CYS H H . . . . . 2.232 1.609 2.855 . . . . . A . 9 GLY HA2 . . A . 10 CYS H . . . 9 . HA1 . . . . . 10 . HN . . c30642_6pv1 1 5 2 OR . 1 1 9 9 GLY HA2 H . . . 1 1 9 9 GLY H H . . . . . 2.232 1.609 2.855 . . . . . A . 9 GLY HA2 . . A . 9 GLY H . . . 9 . HA1 . . . . . 9 . HN . . c30642_6pv1 1 6 1 OR . 1 1 25 25 ARG HB2 H . . . 1 1 26 26 THR H H . . . . . 2.297 1.638 2.956 . . . . . A . 25 ARG HB2 . . A . 26 THR H . . . 25 . HB1 . . . . . 26 . HN . . c30642_6pv1 1 6 2 OR . 1 1 25 25 ARG HB3 H . . . 1 1 26 26 THR H H . . . . . 2.297 1.638 2.956 . . . . . A . 25 ARG HB3 . . A . 26 THR H . . . 25 . HB2 . . . . . 26 . HN . . c30642_6pv1 1 6 3 OR . 1 1 22 22 ARG HB3 H . . . 1 1 22 22 ARG H H . . . . . 2.297 1.638 2.956 . . . . . A . 22 ARG HB3 . . A . 22 ARG H . . . 22 . HB2 . . . . . 22 . HN . . c30642_6pv1 1 7 1 OR . 1 1 20 20 LEU HA H . . . 1 1 21 21 GLN H H . . . . . 2.331 1.652 3.010 . . . . . A . 20 LEU HA . . A . 21 GLN H . . . 20 . HA . . . . . 21 . HN . . c30642_6pv1 1 7 2 OR . 1 1 10 10 CYS H H . . . 1 1 10 10 CYS HB3 H . . . . . 2.331 1.652 3.010 . . . . . A . 10 CYS H . . A . 10 CYS HB3 . . . 10 . HN . . . . . 10 . HB2 . . c30642_6pv1 1 8 1 OR . 1 1 10 10 CYS H H . . . 1 1 9 9 GLY HA3 H . . . . . 2.367 1.667 3.067 . . . . . A . 10 CYS H . . A . 9 GLY HA3 . . . 10 . HN . . . . . 9 . HA2 . . c30642_6pv1 1 8 2 OR . 1 1 9 9 GLY H H . . . 1 1 9 9 GLY HA3 H . . . . . 2.367 1.667 3.067 . . . . . A . 9 GLY H . . A . 9 GLY HA3 . . . 9 . HN . . . . . 9 . HA2 . . c30642_6pv1 1 9 1 OR . 1 1 22 22 ARG HB2 H . . . 1 1 23 23 HIS H H . . . . . 2.402 1.681 3.123 . . . . . A . 22 ARG HB2 . . A . 23 HIS H . . . 22 . HB1 . . . . . 23 . HN . . c30642_6pv1 1 9 2 OR . 1 1 22 22 ARG H H . . . 1 1 22 22 ARG HB2 H . . . . . 2.402 1.681 3.123 . . . . . A . 22 ARG H . . A . 22 ARG HB2 . . . 22 . HN . . . . . 22 . HB1 . . c30642_6pv1 1 10 1 OR . 1 1 28 28 THR H H . . . 1 1 28 28 THR HA H . . . . . 2.475 1.709 3.241 . . . . . A . 28 THR H . . A . 28 THR HA . . . 28 . HN . . . . . 28 . HA . . c30642_6pv1 1 10 2 OR . 1 1 27 27 HIS HA H . . . 1 1 28 28 THR H H . . . . . 2.475 1.709 3.241 . . . . . A . 27 HIS HA . . A . 28 THR H . . . 27 . HA . . . . . 28 . HN . . c30642_6pv1 1 11 1 OR . 1 1 29 29 GLY HA3 H . . . 1 1 30 30 GLU H H . . . . . 2.547 1.736 3.358 . . . . . A . 29 GLY HA3 . . A . 30 GLU H . . . 29 . HA2 . . . . . 30 . HN . . c30642_6pv1 1 11 2 OR . 1 1 29 29 GLY HA3 H . . . 1 1 29 29 GLY H H . . . . . 2.547 1.736 3.358 . . . . . A . 29 GLY HA3 . . A . 29 GLY H . . . 29 . HA2 . . . . . 29 . HN . . c30642_6pv1 1 12 1 OR . 1 1 30 30 GLU H H . . . 1 1 29 29 GLY HA2 H . . . . . 2.550 1.737 3.363 . . . . . A . 30 GLU H . . A . 29 GLY HA2 . . . 30 . HN . . . . . 29 . HA1 . . c30642_6pv1 1 12 2 OR . 1 1 29 29 GLY H H . . . 1 1 29 29 GLY HA2 H . . . . . 2.550 1.737 3.363 . . . . . A . 29 GLY H . . A . 29 GLY HA2 . . . 29 . HN . . . . . 29 . HA1 . . c30642_6pv1 1 13 1 OR . 1 1 12 12 LYS H H . . . 1 1 12 12 LYS HA H . . . . . 2.588 1.751 3.425 . . . . . A . 12 LYS H . . A . 12 LYS HA . . . 12 . HN . . . . . 12 . HA . . c30642_6pv1 1 13 2 OR . 1 1 11 11 GLY HA3 H . . . 1 1 12 12 LYS H H . . . . . 2.588 1.751 3.425 . . . . . A . 11 GLY HA3 . . A . 12 LYS H . . . 11 . HA2 . . . . . 12 . HN . . c30642_6pv1 1 14 1 OR . 1 1 31 31 LYS H H . . . 1 1 31 31 LYS HA H . . . . . 2.665 1.777 3.553 . . . . . A . 31 LYS H . . A . 31 LYS HA . . . 31 . HN . . . . . 31 . HA . . c30642_6pv1 1 14 2 OR . 1 1 30 30 GLU HA H . . . 1 1 31 31 LYS H H . . . . . 2.665 1.777 3.553 . . . . . A . 30 GLU HA . . A . 31 LYS H . . . 30 . HA . . . . . 31 . HN . . c30642_6pv1 1 15 1 OR . 1 1 26 26 THR H H . . . 1 1 26 26 THR HB H . . . . . 2.665 1.777 3.553 . . . . . A . 26 THR H . . A . 26 THR HB . . . 26 . HN . . . . . 26 . HB . . c30642_6pv1 1 15 2 OR . 1 1 22 22 ARG H H . . . 1 1 22 22 ARG HA H . . . . . 2.665 1.777 3.553 . . . . . A . 22 ARG H . . A . 22 ARG HA . . . 22 . HN . . . . . 22 . HA . . c30642_6pv1 1 16 1 OR . 1 1 13 13 ARG H H . . . 1 1 12 12 LYS HB2 H . . . . . 2.686 1.784 3.588 . . . . . A . 13 ARG H . . A . 12 LYS HB2 . . . 13 . HN . . . . . 12 . HB1 . . c30642_6pv1 1 16 2 OR . 1 1 13 13 ARG H H . . . 1 1 12 12 LYS HB3 H . . . . . 2.686 1.784 3.588 . . . . . A . 13 ARG H . . A . 12 LYS HB3 . . . 13 . HN . . . . . 12 . HB2 . . c30642_6pv1 1 16 3 OR . 1 1 13 13 ARG HG2 H . . . 1 1 13 13 ARG H H . . . . . 2.686 1.784 3.588 . . . . . A . 13 ARG HG2 . . A . 13 ARG H . . . 13 . HG1 . . . . . 13 . HN . . c30642_6pv1 1 17 1 OR . 1 1 22 22 ARG H H . . . 1 1 18 18 ASP HA H . . . . . 2.749 1.805 3.693 . . . . . A . 22 ARG H . . A . 18 ASP HA . . . 22 . HN . . . . . 18 . HA . . c30642_6pv1 1 17 2 OR . 1 1 23 23 HIS H H . . . 1 1 23 23 HIS HA H . . . . . 2.749 1.805 3.693 . . . . . A . 23 HIS H . . A . 23 HIS HA . . . 23 . HN . . . . . 23 . HA . . c30642_6pv1 1 18 1 OR . 1 1 21 21 GLN HA H . . . 1 1 22 22 ARG H H . . . . . 2.775 1.812 3.738 . . . . . A . 21 GLN HA . . A . 22 ARG H . . . 21 . HA . . . . . 22 . HN . . c30642_6pv1 1 18 2 OR . 1 1 19 19 GLU HA H . . . 1 1 23 23 HIS H H . . . . . 2.775 1.812 3.738 . . . . . A . 19 GLU HA . . A . 23 HIS H . . . 19 . HA . . . . . 23 . HN . . c30642_6pv1 1 18 3 OR . 1 1 19 19 GLU HA H . . . 1 1 22 22 ARG H H . . . . . 2.775 1.812 3.738 . . . . . A . 19 GLU HA . . A . 22 ARG H . . . 19 . HA . . . . . 22 . HN . . c30642_6pv1 1 19 1 OR . 1 1 30 30 GLU H H . . . 1 1 30 30 GLU HA H . . . . . 2.815 1.825 3.805 . . . . . A . 30 GLU H . . A . 30 GLU HA . . . 30 . HN . . . . . 30 . HA . . c30642_6pv1 1 19 2 OR . 1 1 28 28 THR HA H . . . 1 1 29 29 GLY H H . . . . . 2.815 1.825 3.805 . . . . . A . 28 THR HA . . A . 29 GLY H . . . 28 . HA . . . . . 29 . HN . . c30642_6pv1 1 20 1 OR . 1 1 21 21 GLN HB3 H . . . 1 1 19 19 GLU H H . . . . . 2.815 1.825 3.805 . . . . . A . 21 GLN HB3 . . A . 19 GLU H . . . 21 . HB2 . . . . . 19 . HN . . c30642_6pv1 1 20 2 OR . 1 1 19 19 GLU HG2 H . . . 1 1 19 19 GLU H H . . . . . 2.815 1.825 3.805 . . . . . A . 19 GLU HG2 . . A . 19 GLU H . . . 19 . HG1 . . . . . 19 . HN . . c30642_6pv1 1 20 3 OR . 1 1 19 19 GLU HG3 H . . . 1 1 19 19 GLU H H . . . . . 2.815 1.825 3.805 . . . . . A . 19 GLU HG3 . . A . 19 GLU H . . . 19 . HG2 . . . . . 19 . HN . . c30642_6pv1 1 20 4 OR . 1 1 21 21 GLN HB2 H . . . 1 1 19 19 GLU H H . . . . . 2.815 1.825 3.805 . . . . . A . 21 GLN HB2 . . A . 19 GLU H . . . 21 . HB1 . . . . . 19 . HN . . c30642_6pv1 1 21 1 OR . 1 1 14 14 PHE HZ H . . . 1 1 23 23 HIS HB3 H . . . . . 2.826 1.828 3.824 . . . . . A . 14 PHE HZ . . A . 23 HIS HB3 . . . 14 . HZ . . . . . 23 . HB2 . . c30642_6pv1 1 21 2 OR . 1 1 14 14 PHE HZ H . . . 1 1 12 12 LYS HE2 H . . . . . 2.826 1.828 3.824 . . . . . A . 14 PHE HZ . . A . 12 LYS HE2 . . . 14 . HZ . . . . . 12 . HE1 . . c30642_6pv1 1 21 3 OR . 1 1 12 12 LYS HE3 H . . . 1 1 14 14 PHE HZ H . . . . . 2.826 1.828 3.824 . . . . . A . 12 LYS HE3 . . A . 14 PHE HZ . . . 12 . HE2 . . . . . 14 . HZ . . c30642_6pv1 1 22 1 OR . 1 1 25 25 ARG HB2 H . . . 1 1 24 24 LYS H H . . . . . 2.854 1.836 3.872 . . . . . A . 25 ARG HB2 . . A . 24 LYS H . . . 25 . HB1 . . . . . 24 . HN . . c30642_6pv1 1 22 2 OR . 1 1 25 25 ARG HB3 H . . . 1 1 24 24 LYS H H . . . . . 2.854 1.836 3.872 . . . . . A . 25 ARG HB3 . . A . 24 LYS H . . . 25 . HB2 . . . . . 24 . HN . . c30642_6pv1 1 22 3 OR . 1 1 24 24 LYS HD2 H . . . 1 1 24 24 LYS H H . . . . . 2.854 1.836 3.872 . . . . . A . 24 LYS HD2 . . A . 24 LYS H . . . 24 . HD1 . . . . . 24 . HN . . c30642_6pv1 1 22 4 OR . 1 1 24 24 LYS HD3 H . . . 1 1 24 24 LYS H H . . . . . 2.854 1.836 3.872 . . . . . A . 24 LYS HD3 . . A . 24 LYS H . . . 24 . HD2 . . . . . 24 . HN . . c30642_6pv1 1 23 1 OR . 1 1 23 23 HIS HD2 H . . . 1 1 27 27 HIS HD2 H . . . . . 2.903 1.850 3.956 . . . . . A . 23 HIS HD2 . . A . 27 HIS HD2 . . . 23 . HD2 . . . . . 27 . HD2 . . c30642_6pv1 1 23 2 OR . 1 1 14 14 PHE HZ H . . . 1 1 23 23 HIS HD2 H . . . . . 2.903 1.850 3.956 . . . . . A . 14 PHE HZ . . A . 23 HIS HD2 . . . 14 . HZ . . . . . 23 . HD2 . . c30642_6pv1 1 24 1 OR . 1 1 28 28 THR H H . . . 1 1 27 27 HIS HB2 H . . . . . 2.913 1.853 3.973 . . . . . A . 28 THR H . . A . 27 HIS HB2 . . . 28 . HN . . . . . 27 . HB1 . . c30642_6pv1 1 24 2 OR . 1 1 27 27 HIS HB2 H . . . 1 1 7 7 TRP HZ2 H . . . . . 2.913 1.853 3.973 . . . . . A . 27 HIS HB2 . . A . 7 TRP HZ2 . . . 27 . HB1 . . . . . 7 . HZ2 . . c30642_6pv1 1 25 1 OR . 1 1 3 3 PHE HB3 H . . . 1 1 20 20 LEU MD1 H . . . . . 2.918 1.853 3.983 . . . . . A . 3 PHE HB3 . . A . 20 LEU MD1 . . . 3 . HB2 . . . . . 20 . HD11 . . c30642_6pv1 1 25 2 OR . 1 1 20 20 LEU MD1 H . . . 1 1 24 24 LYS HE2 H . . . . . 2.918 1.853 3.983 . . . . . A . 20 LEU MD1 . . A . 24 LYS HE2 . . . 20 . HD11 . . . . . 24 . HE1 . . c30642_6pv1 1 26 1 OR . 1 1 23 23 HIS HB3 H . . . 1 1 14 14 PHE HE1 H . . . . . 2.921 1.855 3.987 . . . . . A . 23 HIS HB3 . . A . 14 PHE HE1 . . . 23 . HB2 . . . . . 14 . HE1 . . c30642_6pv1 1 26 2 OR . 1 1 23 23 HIS HB3 H . . . 1 1 14 14 PHE HE2 H . . . . . 2.921 1.855 3.987 . . . . . A . 23 HIS HB3 . . A . 14 PHE HE2 . . . 23 . HB2 . . . . . 14 . HE2 . . c30642_6pv1 1 26 3 OR . 1 1 12 12 LYS HE2 H . . . 1 1 14 14 PHE HE1 H . . . . . 2.921 1.855 3.987 . . . . . A . 12 LYS HE2 . . A . 14 PHE HE1 . . . 12 . HE1 . . . . . 14 . HE1 . . c30642_6pv1 1 26 4 OR . 1 1 12 12 LYS HE2 H . . . 1 1 14 14 PHE HE2 H . . . . . 2.921 1.855 3.987 . . . . . A . 12 LYS HE2 . . A . 14 PHE HE2 . . . 12 . HE1 . . . . . 14 . HE2 . . c30642_6pv1 1 26 5 OR . 1 1 12 12 LYS HE3 H . . . 1 1 14 14 PHE HE1 H . . . . . 2.921 1.855 3.987 . . . . . A . 12 LYS HE3 . . A . 14 PHE HE1 . . . 12 . HE2 . . . . . 14 . HE1 . . c30642_6pv1 1 26 6 OR . 1 1 12 12 LYS HE3 H . . . 1 1 14 14 PHE HE2 H . . . . . 2.921 1.855 3.987 . . . . . A . 12 LYS HE3 . . A . 14 PHE HE2 . . . 12 . HE2 . . . . . 14 . HE2 . . c30642_6pv1 1 27 1 OR . 1 1 20 20 LEU MD2 H . . . 1 1 17 17 SER HA H . . . . . 2.931 1.857 4.005 . . . . . A . 20 LEU MD2 . . A . 17 SER HA . . . 20 . HD21 . . . . . 17 . HA . . c30642_6pv1 1 27 2 OR . 1 1 20 20 LEU MD2 H . . . 1 1 24 24 LYS HE2 H . . . . . 2.931 1.857 4.005 . . . . . A . 20 LEU MD2 . . A . 24 LYS HE2 . . . 20 . HD21 . . . . . 24 . HE1 . . c30642_6pv1 1 28 1 OR . 1 1 21 21 GLN HA H . . . 1 1 24 24 LYS HD2 H . . . . . 2.934 1.858 4.010 . . . . . A . 21 GLN HA . . A . 24 LYS HD2 . . . 21 . HA . . . . . 24 . HD1 . . c30642_6pv1 1 28 2 OR . 1 1 21 21 GLN HA H . . . 1 1 24 24 LYS HD3 H . . . . . 2.934 1.858 4.010 . . . . . A . 21 GLN HA . . A . 24 LYS HD3 . . . 21 . HA . . . . . 24 . HD2 . . c30642_6pv1 1 28 3 OR . 1 1 19 19 GLU HA H . . . 1 1 22 22 ARG HB3 H . . . . . 2.934 1.858 4.010 . . . . . A . 19 GLU HA . . A . 22 ARG HB3 . . . 19 . HA . . . . . 22 . HB2 . . c30642_6pv1 1 29 1 OR . 1 1 11 11 GLY HA2 H . . . 1 1 4 4 NLE HG2 H . . . . . 2.973 1.868 4.078 . . . . . A . 11 GLY HA2 . . A . 4 NLE HG2 . . . 11 . HA1 . . . . . 4 . HG1 . . c30642_6pv1 1 29 2 OR . 1 1 21 21 GLN HA H . . . 1 1 20 20 LEU MD1 H . . . . . 2.973 1.868 4.078 . . . . . A . 21 GLN HA . . A . 20 LEU MD1 . . . 21 . HA . . . . . 20 . HD11 . . c30642_6pv1 1 30 1 OR . 1 1 20 20 LEU HB3 H . . . 1 1 3 3 PHE HD2 H . . . . . 2.990 1.873 4.107 . . . . . A . 20 LEU HB3 . . A . 3 PHE HD2 . . . 20 . HB2 . . . . . 3 . HD2 . . c30642_6pv1 1 30 2 OR . 1 1 20 20 LEU HB3 H . . . 1 1 3 3 PHE HD1 H . . . . . 2.990 1.873 4.107 . . . . . A . 20 LEU HB3 . . A . 3 PHE HD1 . . . 20 . HB2 . . . . . 3 . HD1 . . c30642_6pv1 1 30 3 OR . 1 1 20 20 LEU HB3 H . . . 1 1 14 14 PHE HD2 H . . . . . 2.990 1.873 4.107 . . . . . A . 20 LEU HB3 . . A . 14 PHE HD2 . . . 20 . HB2 . . . . . 14 . HD2 . . c30642_6pv1 1 30 4 OR . 1 1 20 20 LEU HB3 H . . . 1 1 14 14 PHE HD1 H . . . . . 2.990 1.873 4.107 . . . . . A . 20 LEU HB3 . . A . 14 PHE HD1 . . . 20 . HB2 . . . . . 14 . HD1 . . c30642_6pv1 1 31 1 OR . 1 1 21 21 GLN HB3 H . . . 1 1 20 20 LEU H H . . . . . 3.000 1.875 4.125 . . . . . A . 21 GLN HB3 . . A . 20 LEU H . . . 21 . HB2 . . . . . 20 . HN . . c30642_6pv1 1 31 2 OR . 1 1 21 21 GLN HB2 H . . . 1 1 20 20 LEU H H . . . . . 3.000 1.875 4.125 . . . . . A . 21 GLN HB2 . . A . 20 LEU H . . . 21 . HB1 . . . . . 20 . HN . . c30642_6pv1 1 31 3 OR . 1 1 19 19 GLU HG2 H . . . 1 1 20 20 LEU H H . . . . . 3.000 1.875 4.125 . . . . . A . 19 GLU HG2 . . A . 20 LEU H . . . 19 . HG1 . . . . . 20 . HN . . c30642_6pv1 1 31 4 OR . 1 1 19 19 GLU HG3 H . . . 1 1 20 20 LEU H H . . . . . 3.000 1.875 4.125 . . . . . A . 19 GLU HG3 . . A . 20 LEU H . . . 19 . HG2 . . . . . 20 . HN . . c30642_6pv1 1 32 1 OR . 1 1 21 21 GLN HB3 H . . . 1 1 18 18 ASP HB3 H . . . . . 3.116 1.903 4.329 . . . . . A . 21 GLN HB3 . . A . 18 ASP HB3 . . . 21 . HB2 . . . . . 18 . HB2 . . c30642_6pv1 1 32 2 OR . 1 1 21 21 GLN HB2 H . . . 1 1 18 18 ASP HB3 H . . . . . 3.116 1.903 4.329 . . . . . A . 21 GLN HB2 . . A . 18 ASP HB3 . . . 21 . HB1 . . . . . 18 . HB2 . . c30642_6pv1 1 32 3 OR . 1 1 19 19 GLU HG2 H . . . 1 1 14 14 PHE HB2 H . . . . . 3.116 1.903 4.329 . . . . . A . 19 GLU HG2 . . A . 14 PHE HB2 . . . 19 . HG1 . . . . . 14 . HB1 . . c30642_6pv1 1 32 4 OR . 1 1 19 19 GLU HG3 H . . . 1 1 14 14 PHE HB2 H . . . . . 3.116 1.903 4.329 . . . . . A . 19 GLU HG3 . . A . 14 PHE HB2 . . . 19 . HG2 . . . . . 14 . HB1 . . c30642_6pv1 1 33 1 OR . 1 1 20 20 LEU MD1 H . . . 1 1 5 5 CYS H H . . . . . 3.118 1.903 4.333 . . . . . A . 20 LEU MD1 . . A . 5 CYS H . . . 20 . HD11 . . . . . 5 . HN . . c30642_6pv1 1 33 2 OR . 1 1 4 4 NLE HG2 H . . . 1 1 5 5 CYS H H . . . . . 3.118 1.903 4.333 . . . . . A . 4 NLE HG2 . . A . 5 CYS H . . . 4 . HG1 . . . . . 5 . HN . . c30642_6pv1 1 34 1 OR . 1 1 14 14 PHE HD2 H . . . 1 1 4 4 NLE H H . . . . . 3.168 1.914 4.422 . . . . . A . 14 PHE HD2 . . A . 4 NLE H . . . 14 . HD2 . . . . . 4 . HN . . c30642_6pv1 1 34 2 OR . 1 1 14 14 PHE HD1 H . . . 1 1 4 4 NLE H H . . . . . 3.168 1.914 4.422 . . . . . A . 14 PHE HD1 . . A . 4 NLE H . . . 14 . HD1 . . . . . 4 . HN . . c30642_6pv1 1 34 3 OR . 1 1 3 3 PHE HD2 H . . . 1 1 4 4 NLE H H . . . . . 3.168 1.914 4.422 . . . . . A . 3 PHE HD2 . . A . 4 NLE H . . . 3 . HD2 . . . . . 4 . HN . . c30642_6pv1 1 34 4 OR . 1 1 3 3 PHE HD1 H . . . 1 1 4 4 NLE H H . . . . . 3.168 1.914 4.422 . . . . . A . 3 PHE HD1 . . A . 4 NLE H . . . 3 . HD1 . . . . . 4 . HN . . c30642_6pv1 1 35 1 OR . 1 1 20 20 LEU MD1 H . . . 1 1 20 20 LEU H H . . . . . 3.186 1.918 4.454 . . . . . A . 20 LEU MD1 . . A . 20 LEU H . . . 20 . HD11 . . . . . 20 . HN . . c30642_6pv1 1 35 2 OR . 1 1 20 20 LEU MD2 H . . . 1 1 20 20 LEU H H . . . . . 3.186 1.918 4.454 . . . . . A . 20 LEU MD2 . . A . 20 LEU H . . . 20 . HD21 . . . . . 20 . HN . . c30642_6pv1 1 36 1 OR . 1 1 10 10 CYS H H . . . 1 1 7 7 TRP HB2 H . . . . . 3.295 1.938 4.652 . . . . . A . 10 CYS H . . A . 7 TRP HB2 . . . 10 . HN . . . . . 7 . HB1 . . c30642_6pv1 1 36 2 OR . 1 1 9 9 GLY H H . . . 1 1 7 7 TRP HB2 H . . . . . 3.295 1.938 4.652 . . . . . A . 9 GLY H . . A . 7 TRP HB2 . . . 9 . HN . . . . . 7 . HB1 . . c30642_6pv1 1 37 1 OR . 1 1 21 21 GLN HA H . . . 1 1 22 22 ARG H H . . . . . 3.343 1.946 4.740 . . . . . A . 21 GLN HA . . A . 22 ARG H . . . 21 . HA . . . . . 22 . HN . . c30642_6pv1 1 37 2 OR . 1 1 19 19 GLU HA H . . . 1 1 22 22 ARG H H . . . . . 3.343 1.946 4.740 . . . . . A . 19 GLU HA . . A . 22 ARG H . . . 19 . HA . . . . . 22 . HN . . c30642_6pv1 1 38 1 OR . 1 1 14 14 PHE HD2 H . . . 1 1 15 15 THR H H . . . . . 3.431 1.960 4.902 . . . . . A . 14 PHE HD2 . . A . 15 THR H . . . 14 . HD2 . . . . . 15 . HN . . c30642_6pv1 1 38 2 OR . 1 1 14 14 PHE HD1 H . . . 1 1 15 15 THR H H . . . . . 3.431 1.960 4.902 . . . . . A . 14 PHE HD1 . . A . 15 THR H . . . 14 . HD1 . . . . . 15 . HN . . c30642_6pv1 1 38 3 OR . 1 1 3 3 PHE HD2 H . . . 1 1 15 15 THR H H . . . . . 3.431 1.960 4.902 . . . . . A . 3 PHE HD2 . . A . 15 THR H . . . 3 . HD2 . . . . . 15 . HN . . c30642_6pv1 1 38 4 OR . 1 1 3 3 PHE HD1 H . . . 1 1 15 15 THR H H . . . . . 3.431 1.960 4.902 . . . . . A . 3 PHE HD1 . . A . 15 THR H . . . 3 . HD1 . . . . . 15 . HN . . c30642_6pv1 1 39 1 OR . 1 1 10 10 CYS H H . . . 1 1 7 7 TRP H H . . . . . 3.492 1.968 5.016 . . . . . A . 10 CYS H . . A . 7 TRP H . . . 10 . HN . . . . . 7 . HN . . c30642_6pv1 1 39 2 OR . 1 1 9 9 GLY H H . . . 1 1 7 7 TRP H H . . . . . 3.492 1.968 5.016 . . . . . A . 9 GLY H . . A . 7 TRP H . . . 9 . HN . . . . . 7 . HN . . c30642_6pv1 1 40 1 OR . 1 1 9 9 GLY H H . . . 1 1 7 7 TRP HD1 H . . . . . 3.518 1.971 5.065 . . . . . A . 9 GLY H . . A . 7 TRP HD1 . . . 9 . HN . . . . . 7 . HD1 . . c30642_6pv1 1 40 2 OR . 1 1 10 10 CYS H H . . . 1 1 7 7 TRP HD1 H . . . . . 3.518 1.971 5.065 . . . . . A . 10 CYS H . . A . 7 TRP HD1 . . . 10 . HN . . . . . 7 . HD1 . . c30642_6pv1 1 41 1 OR . 1 1 10 10 CYS H H . . . 1 1 6 6 THR HA H . . . . . 3.616 1.982 5.250 . . . . . A . 10 CYS H . . A . 6 THR HA . . . 10 . HN . . . . . 6 . HA . . c30642_6pv1 1 41 2 OR . 1 1 9 9 GLY H H . . . 1 1 6 6 THR HA H . . . . . 3.616 1.982 5.250 . . . . . A . 9 GLY H . . A . 6 THR HA . . . 9 . HN . . . . . 6 . HA . . c30642_6pv1 1 42 1 . . 1 1 11 11 GLY HA3 H . . . 1 1 11 11 GLY HA2 H . . . . . 1.694 1.335 2.053 . . . . . A . 11 GLY HA3 . . A . 11 GLY HA2 . . . 11 . HA2 . . . . . 11 . HA1 . . c30642_6pv1 1 43 1 . . 1 1 30 30 GLU HB3 H . . . 1 1 30 30 GLU HB2 H . . . . . 1.721 1.351 2.091 . . . . . A . 30 GLU HB3 . . A . 30 GLU HB2 . . . 30 . HB2 . . . . . 30 . HB1 . . c30642_6pv1 1 44 1 . . 1 1 9 9 GLY HA2 H . . . 1 1 9 9 GLY HA3 H . . . . . 1.750 1.367 2.133 . . . . . A . 9 GLY HA2 . . A . 9 GLY HA3 . . . 9 . HA1 . . . . . 9 . HA2 . . c30642_6pv1 1 45 1 . . 1 1 7 7 TRP HB2 H . . . 1 1 7 7 TRP HB3 H . . . . . 1.814 1.403 2.225 . . . . . A . 7 TRP HB2 . . A . 7 TRP HB3 . . . 7 . HB1 . . . . . 7 . HB2 . . c30642_6pv1 1 46 1 . . 1 1 5 5 CYS HB2 H . . . 1 1 5 5 CYS HB3 H . . . . . 1.823 1.408 2.238 . . . . . A . 5 CYS HB2 . . A . 5 CYS HB3 . . . 5 . HB1 . . . . . 5 . HB2 . . c30642_6pv1 1 47 1 . . 1 1 3 3 PHE HB3 H . . . 1 1 3 3 PHE HB2 H . . . . . 1.884 1.440 2.328 . . . . . A . 3 PHE HB3 . . A . 3 PHE HB2 . . . 3 . HB2 . . . . . 3 . HB1 . . c30642_6pv1 1 48 1 . . 1 1 14 14 PHE HB2 H . . . 1 1 14 14 PHE HB3 H . . . . . 1.895 1.446 2.344 . . . . . A . 14 PHE HB2 . . A . 14 PHE HB3 . . . 14 . HB1 . . . . . 14 . HB2 . . c30642_6pv1 1 49 1 . . 1 1 7 7 TRP HZ3 H . . . 1 1 7 7 TRP HH2 H . . . . . 1.898 1.448 2.348 . . . . . A . 7 TRP HZ3 . . A . 7 TRP HH2 . . . 7 . HZ3 . . . . . 7 . HH2 . . c30642_6pv1 1 50 1 . . 1 1 17 17 SER HB2 H . . . 1 1 17 17 SER HB3 H . . . . . 1.900 1.449 2.351 . . . . . A . 17 SER HB2 . . A . 17 SER HB3 . . . 17 . HB1 . . . . . 17 . HB2 . . c30642_6pv1 1 51 1 OR . 1 1 3 3 PHE HD2 H . . . 1 1 3 3 PHE HE2 H . . . . . 1.900 1.449 2.351 . . . . . A . 3 PHE HD2 . . A . 3 PHE HE2 . . . 3 . HD2 . . . . . 3 . HE2 . . c30642_6pv1 1 51 2 OR . 1 1 3 3 PHE HD2 H . . . 1 1 3 3 PHE HE1 H . . . . . 1.900 1.449 2.351 . . . . . A . 3 PHE HD2 . . A . 3 PHE HE1 . . . 3 . HD2 . . . . . 3 . HE1 . . c30642_6pv1 1 51 3 OR . 1 1 3 3 PHE HD1 H . . . 1 1 3 3 PHE HE2 H . . . . . 1.900 1.449 2.351 . . . . . A . 3 PHE HD1 . . A . 3 PHE HE2 . . . 3 . HD1 . . . . . 3 . HE2 . . c30642_6pv1 1 51 4 OR . 1 1 3 3 PHE HD1 H . . . 1 1 3 3 PHE HE1 H . . . . . 1.900 1.449 2.351 . . . . . A . 3 PHE HD1 . . A . 3 PHE HE1 . . . 3 . HD1 . . . . . 3 . HE1 . . c30642_6pv1 1 52 1 . . 1 1 23 23 HIS HB3 H . . . 1 1 23 23 HIS HB2 H . . . . . 1.915 1.457 2.373 . . . . . A . 23 HIS HB3 . . A . 23 HIS HB2 . . . 23 . HB2 . . . . . 23 . HB1 . . c30642_6pv1 1 53 1 . . 1 1 20 20 LEU HB3 H . . . 1 1 20 20 LEU HB2 H . . . . . 1.936 1.467 2.405 . . . . . A . 20 LEU HB3 . . A . 20 LEU HB2 . . . 20 . HB2 . . . . . 20 . HB1 . . c30642_6pv1 1 54 1 OR . 1 1 14 14 PHE HE2 H . . . 1 1 14 14 PHE HD2 H . . . . . 1.968 1.484 2.452 . . . . . A . 14 PHE HE2 . . A . 14 PHE HD2 . . . 14 . HE2 . . . . . 14 . HD2 . . c30642_6pv1 1 54 2 OR . 1 1 14 14 PHE HE2 H . . . 1 1 14 14 PHE HD1 H . . . . . 1.968 1.484 2.452 . . . . . A . 14 PHE HE2 . . A . 14 PHE HD1 . . . 14 . HE2 . . . . . 14 . HD1 . . c30642_6pv1 1 54 3 OR . 1 1 14 14 PHE HE1 H . . . 1 1 14 14 PHE HD2 H . . . . . 1.968 1.484 2.452 . . . . . A . 14 PHE HE1 . . A . 14 PHE HD2 . . . 14 . HE1 . . . . . 14 . HD2 . . c30642_6pv1 1 54 4 OR . 1 1 14 14 PHE HE1 H . . . 1 1 14 14 PHE HD1 H . . . . . 1.968 1.484 2.452 . . . . . A . 14 PHE HE1 . . A . 14 PHE HD1 . . . 14 . HE1 . . . . . 14 . HD1 . . c30642_6pv1 1 55 1 OR . 1 1 19 19 GLU HG2 H . . . 1 1 19 19 GLU HB3 H . . . . . 1.975 1.488 2.462 . . . . . A . 19 GLU HG2 . . A . 19 GLU HB3 . . . 19 . HG1 . . . . . 19 . HB2 . . c30642_6pv1 1 55 2 OR . 1 1 19 19 GLU HG3 H . . . 1 1 19 19 GLU HB3 H . . . . . 1.975 1.488 2.462 . . . . . A . 19 GLU HG3 . . A . 19 GLU HB3 . . . 19 . HG2 . . . . . 19 . HB2 . . c30642_6pv1 1 56 1 OR . 1 1 14 14 PHE HZ H . . . 1 1 14 14 PHE HE2 H . . . . . 2.039 1.520 2.558 . . . . . A . 14 PHE HZ . . A . 14 PHE HE2 . . . 14 . HZ . . . . . 14 . HE2 . . c30642_6pv1 1 56 2 OR . 1 1 14 14 PHE HZ H . . . 1 1 14 14 PHE HE1 H . . . . . 2.039 1.520 2.558 . . . . . A . 14 PHE HZ . . A . 14 PHE HE1 . . . 14 . HZ . . . . . 14 . HE1 . . c30642_6pv1 1 57 1 . . 1 1 12 12 LYS HA H . . . 1 1 13 13 ARG H H . . . . . 2.071 1.535 2.607 . . . . . A . 12 LYS HA . . A . 13 ARG H . . . 12 . HA . . . . . 13 . HN . . c30642_6pv1 1 58 1 . . 1 1 20 20 LEU HG H . . . 1 1 20 20 LEU MD1 H . . . . . 2.077 1.538 2.616 . . . . . A . 20 LEU HG . . A . 20 LEU MD1 . . . 20 . HG . . . . . 20 . HD11 . . c30642_6pv1 1 59 1 . . 1 1 6 6 THR HB H . . . 1 1 6 6 THR MG H . . . . . 2.114 1.555 2.673 . . . . . A . 6 THR HB . . A . 6 THR MG . . . 6 . HB . . . . . 6 . HG21 . . c30642_6pv1 1 60 1 . . 1 1 27 27 HIS HB2 H . . . 1 1 27 27 HIS HB3 H . . . . . 2.146 1.570 2.722 . . . . . A . 27 HIS HB2 . . A . 27 HIS HB3 . . . 27 . HB1 . . . . . 27 . HB2 . . c30642_6pv1 1 61 1 . . 1 1 13 13 ARG HA H . . . 1 1 14 14 PHE H H . . . . . 2.155 1.575 2.735 . . . . . A . 13 ARG HA . . A . 14 PHE H . . . 13 . HA . . . . . 14 . HN . . c30642_6pv1 1 62 1 . . 1 1 26 26 THR HB H . . . 1 1 26 26 THR MG H . . . . . 2.168 1.580 2.756 . . . . . A . 26 THR HB . . A . 26 THR MG . . . 26 . HB . . . . . 26 . HG21 . . c30642_6pv1 1 63 1 . . 1 1 7 7 TRP HA H . . . 1 1 8 8 ABA H H . . . . . 2.175 1.584 2.766 . . . . . A . 7 TRP HA . . A . 8 AIB H . . . 7 . HA . . . . . 8 . HN . . c30642_6pv1 1 64 1 . . 1 1 5 5 CYS H H . . . 1 1 4 4 NLE HA H . . . . . 2.182 1.587 2.777 . . . . . A . 5 CYS H . . A . 4 NLE HA . . . 5 . HN . . . . . 4 . HA . . c30642_6pv1 1 65 1 . . 1 1 11 11 GLY HA2 H . . . 1 1 11 11 GLY H H . . . . . 2.185 1.588 2.782 . . . . . A . 11 GLY HA2 . . A . 11 GLY H . . . 11 . HA1 . . . . . 11 . HN . . c30642_6pv1 1 66 1 OR . 1 1 24 24 LYS HA H . . . 1 1 24 24 LYS HB2 H . . . . . 2.204 1.597 2.811 . . . . . A . 24 LYS HA . . A . 24 LYS HB2 . . . 24 . HA . . . . . 24 . HB1 . . c30642_6pv1 1 66 2 OR . 1 1 24 24 LYS HB3 H . . . 1 1 24 24 LYS HA H . . . . . 2.204 1.597 2.811 . . . . . A . 24 LYS HB3 . . A . 24 LYS HA . . . 24 . HB2 . . . . . 24 . HA . . c30642_6pv1 1 67 1 . . 1 1 27 27 HIS HD2 H . . . 1 1 24 24 LYS HA H . . . . . 2.207 1.598 2.816 . . . . . A . 27 HIS HD2 . . A . 24 LYS HA . . . 27 . HD2 . . . . . 24 . HA . . c30642_6pv1 1 68 1 . . 1 1 4 4 NLE H H . . . 1 1 3 3 PHE HA H . . . . . 2.215 1.602 2.828 . . . . . A . 4 NLE H . . A . 3 PHE HA . . . 4 . HN . . . . . 3 . HA . . c30642_6pv1 1 69 1 OR . 1 1 3 3 PHE HD2 H . . . 1 1 3 3 PHE HB2 H . . . . . 2.223 1.605 2.841 . . . . . A . 3 PHE HD2 . . A . 3 PHE HB2 . . . 3 . HD2 . . . . . 3 . HB1 . . c30642_6pv1 1 69 2 OR . 1 1 3 3 PHE HD1 H . . . 1 1 3 3 PHE HB2 H . . . . . 2.223 1.605 2.841 . . . . . A . 3 PHE HD1 . . A . 3 PHE HB2 . . . 3 . HD1 . . . . . 3 . HB1 . . c30642_6pv1 1 70 1 OR . 1 1 14 14 PHE HD2 H . . . 1 1 14 14 PHE HB2 H . . . . . 2.227 1.607 2.847 . . . . . A . 14 PHE HD2 . . A . 14 PHE HB2 . . . 14 . HD2 . . . . . 14 . HB1 . . c30642_6pv1 1 70 2 OR . 1 1 14 14 PHE HD1 H . . . 1 1 14 14 PHE HB2 H . . . . . 2.227 1.607 2.847 . . . . . A . 14 PHE HD1 . . A . 14 PHE HB2 . . . 14 . HD1 . . . . . 14 . HB1 . . c30642_6pv1 1 71 1 OR . 1 1 25 25 ARG HB2 H . . . 1 1 25 25 ARG H H . . . . . 2.239 1.612 2.866 . . . . . A . 25 ARG HB2 . . A . 25 ARG H . . . 25 . HB1 . . . . . 25 . HN . . c30642_6pv1 1 71 2 OR . 1 1 25 25 ARG HB3 H . . . 1 1 25 25 ARG H H . . . . . 2.239 1.612 2.866 . . . . . A . 25 ARG HB3 . . A . 25 ARG H . . . 25 . HB2 . . . . . 25 . HN . . c30642_6pv1 1 72 1 . . 1 1 7 7 TRP HZ3 H . . . 1 1 7 7 TRP HE3 H . . . . . 2.257 1.620 2.894 . . . . . A . 7 TRP HZ3 . . A . 7 TRP HE3 . . . 7 . HZ3 . . . . . 7 . HE3 . . c30642_6pv1 1 73 1 . . 1 1 22 22 ARG HB3 H . . . 1 1 22 22 ARG HA H . . . . . 2.266 1.624 2.908 . . . . . A . 22 ARG HB3 . . A . 22 ARG HA . . . 22 . HB2 . . . . . 22 . HA . . c30642_6pv1 1 74 1 OR . 1 1 14 14 PHE HD2 H . . . 1 1 14 14 PHE HB3 H . . . . . 2.270 1.626 2.914 . . . . . A . 14 PHE HD2 . . A . 14 PHE HB3 . . . 14 . HD2 . . . . . 14 . HB2 . . c30642_6pv1 1 74 2 OR . 1 1 14 14 PHE HD1 H . . . 1 1 14 14 PHE HB3 H . . . . . 2.270 1.626 2.914 . . . . . A . 14 PHE HD1 . . A . 14 PHE HB3 . . . 14 . HD1 . . . . . 14 . HB2 . . c30642_6pv1 1 75 1 . . 1 1 7 7 TRP HD1 H . . . 1 1 7 7 TRP HE1 H . . . . . 2.275 1.628 2.922 . . . . . A . 7 TRP HD1 . . A . 7 TRP HE1 . . . 7 . HD1 . . . . . 7 . HE1 . . c30642_6pv1 1 76 1 . . 1 1 26 26 THR MG H . . . 1 1 26 26 THR HA H . . . . . 2.276 1.628 2.924 . . . . . A . 26 THR MG . . A . 26 THR HA . . . 26 . HG21 . . . . . 26 . HA . . c30642_6pv1 1 77 1 . . 1 1 10 10 CYS HB3 H . . . 1 1 11 11 GLY H H . . . . . 2.276 1.628 2.924 . . . . . A . 10 CYS HB3 . . A . 11 GLY H . . . 10 . HB2 . . . . . 11 . HN . . c30642_6pv1 1 78 1 . . 1 1 6 6 THR HA H . . . 1 1 6 6 THR MG H . . . . . 2.278 1.629 2.927 . . . . . A . 6 THR HA . . A . 6 THR MG . . . 6 . HA . . . . . 6 . HG21 . . c30642_6pv1 1 79 1 OR . 1 1 13 13 ARG HG3 H . . . 1 1 13 13 ARG HD2 H . . . . . 2.280 1.630 2.930 . . . . . A . 13 ARG HG3 . . A . 13 ARG HD2 . . . 13 . HG2 . . . . . 13 . HD1 . . c30642_6pv1 1 79 2 OR . 1 1 13 13 ARG HG3 H . . . 1 1 13 13 ARG HD3 H . . . . . 2.280 1.630 2.930 . . . . . A . 13 ARG HG3 . . A . 13 ARG HD3 . . . 13 . HG2 . . . . . 13 . HD2 . . c30642_6pv1 1 80 1 . . 1 1 7 7 TRP H H . . . 1 1 7 7 TRP HB3 H . . . . . 2.296 1.637 2.955 . . . . . A . 7 TRP H . . A . 7 TRP HB3 . . . 7 . HN . . . . . 7 . HB2 . . c30642_6pv1 1 81 1 . . 1 1 12 12 LYS HA H . . . 1 1 12 12 LYS HG3 H . . . . . 2.300 1.639 2.961 . . . . . A . 12 LYS HA . . A . 12 LYS HG3 . . . 12 . HA . . . . . 12 . HG2 . . c30642_6pv1 1 82 1 . . 1 1 23 23 HIS HD2 H . . . 1 1 5 5 CYS HB2 H . . . . . 2.307 1.642 2.972 . . . . . A . 23 HIS HD2 . . A . 5 CYS HB2 . . . 23 . HD2 . . . . . 5 . HB1 . . c30642_6pv1 1 83 1 . . 1 1 15 15 THR HB H . . . 1 1 15 15 THR MG H . . . . . 2.315 1.645 2.985 . . . . . A . 15 THR HB . . A . 15 THR MG . . . 15 . HB . . . . . 15 . HG21 . . c30642_6pv1 1 84 1 . . 1 1 16 16 ARG HG3 H . . . 1 1 16 16 ARG HD2 H . . . . . 2.320 1.647 2.993 . . . . . A . 16 ARG HG3 . . A . 16 ARG HD2 . . . 16 . HG2 . . . . . 16 . HD1 . . c30642_6pv1 1 85 1 . . 1 1 20 20 LEU HA H . . . 1 1 20 20 LEU MD1 H . . . . . 2.325 1.649 3.001 . . . . . A . 20 LEU HA . . A . 20 LEU MD1 . . . 20 . HA . . . . . 20 . HD11 . . c30642_6pv1 1 86 1 OR . 1 1 1 1 ARG HD2 H . . . 1 1 1 1 ARG HB2 H . . . . . 2.329 1.651 3.007 . . . . . A . 1 ARG HD2 . . A . 1 ARG HB2 . . . 1 . HD1 . . . . . 1 . HB1 . . c30642_6pv1 1 86 2 OR . 1 1 1 1 ARG HD3 H . . . 1 1 1 1 ARG HB2 H . . . . . 2.329 1.651 3.007 . . . . . A . 1 ARG HD3 . . A . 1 ARG HB2 . . . 1 . HD2 . . . . . 1 . HB1 . . c30642_6pv1 1 86 3 OR . 1 1 1 1 ARG HB3 H . . . 1 1 1 1 ARG HD2 H . . . . . 2.329 1.651 3.007 . . . . . A . 1 ARG HB3 . . A . 1 ARG HD2 . . . 1 . HB2 . . . . . 1 . HD1 . . c30642_6pv1 1 86 4 OR . 1 1 1 1 ARG HB3 H . . . 1 1 1 1 ARG HD3 H . . . . . 2.329 1.651 3.007 . . . . . A . 1 ARG HB3 . . A . 1 ARG HD3 . . . 1 . HB2 . . . . . 1 . HD2 . . c30642_6pv1 1 87 1 . . 1 1 20 20 LEU HA H . . . 1 1 20 20 LEU HB2 H . . . . . 2.330 1.651 3.009 . . . . . A . 20 LEU HA . . A . 20 LEU HB2 . . . 20 . HA . . . . . 20 . HB1 . . c30642_6pv1 1 88 1 OR . 1 1 3 3 PHE HB3 H . . . 1 1 3 3 PHE HD2 H . . . . . 2.334 1.653 3.015 . . . . . A . 3 PHE HB3 . . A . 3 PHE HD2 . . . 3 . HB2 . . . . . 3 . HD2 . . c30642_6pv1 1 88 2 OR . 1 1 3 3 PHE HB3 H . . . 1 1 3 3 PHE HD1 H . . . . . 2.334 1.653 3.015 . . . . . A . 3 PHE HB3 . . A . 3 PHE HD1 . . . 3 . HB2 . . . . . 3 . HD1 . . c30642_6pv1 1 89 1 . . 1 1 10 10 CYS HA H . . . 1 1 10 10 CYS HB2 H . . . . . 2.344 1.657 3.031 . . . . . A . 10 CYS HA . . A . 10 CYS HB2 . . . 10 . HA . . . . . 10 . HB1 . . c30642_6pv1 1 90 1 OR . 1 1 25 25 ARG HD2 H . . . 1 1 25 25 ARG HG2 H . . . . . 2.344 1.657 3.031 . . . . . A . 25 ARG HD2 . . A . 25 ARG HG2 . . . 25 . HD1 . . . . . 25 . HG1 . . c30642_6pv1 1 90 2 OR . 1 1 25 25 ARG HD3 H . . . 1 1 25 25 ARG HG2 H . . . . . 2.344 1.657 3.031 . . . . . A . 25 ARG HD3 . . A . 25 ARG HG2 . . . 25 . HD2 . . . . . 25 . HG1 . . c30642_6pv1 1 91 1 . . 1 1 20 20 LEU HB3 H . . . 1 1 20 20 LEU H H . . . . . 2.347 1.659 3.035 . . . . . A . 20 LEU HB3 . . A . 20 LEU H . . . 20 . HB2 . . . . . 20 . HN . . c30642_6pv1 1 92 1 . . 1 1 23 23 HIS H H . . . 1 1 23 23 HIS HB3 H . . . . . 2.350 1.660 3.040 . . . . . A . 23 HIS H . . A . 23 HIS HB3 . . . 23 . HN . . . . . 23 . HB2 . . c30642_6pv1 1 93 1 . . 1 1 12 12 LYS HA H . . . 1 1 12 12 LYS HG2 H . . . . . 2.355 1.661 3.049 . . . . . A . 12 LYS HA . . A . 12 LYS HG2 . . . 12 . HA . . . . . 12 . HG1 . . c30642_6pv1 1 94 1 . . 1 1 28 28 THR HB H . . . 1 1 28 28 THR MG H . . . . . 2.360 1.664 3.056 . . . . . A . 28 THR HB . . A . 28 THR MG . . . 28 . HB . . . . . 28 . HG21 . . c30642_6pv1 1 95 1 . . 1 1 10 10 CYS H H . . . 1 1 10 10 CYS HB2 H . . . . . 2.363 1.665 3.061 . . . . . A . 10 CYS H . . A . 10 CYS HB2 . . . 10 . HN . . . . . 10 . HB1 . . c30642_6pv1 1 96 1 OR . 1 1 12 12 LYS H H . . . 1 1 12 12 LYS HB2 H . . . . . 2.365 1.666 3.064 . . . . . A . 12 LYS H . . A . 12 LYS HB2 . . . 12 . HN . . . . . 12 . HB1 . . c30642_6pv1 1 96 2 OR . 1 1 12 12 LYS H H . . . 1 1 12 12 LYS HB3 H . . . . . 2.365 1.666 3.064 . . . . . A . 12 LYS H . . A . 12 LYS HB3 . . . 12 . HN . . . . . 12 . HB2 . . c30642_6pv1 1 97 1 . . 1 1 20 20 LEU HA H . . . 1 1 23 23 HIS HB3 H . . . . . 2.365 1.666 3.064 . . . . . A . 20 LEU HA . . A . 23 HIS HB3 . . . 20 . HA . . . . . 23 . HB2 . . c30642_6pv1 1 98 1 . . 1 1 22 22 ARG HB2 H . . . 1 1 22 22 ARG HA H . . . . . 2.367 1.667 3.067 . . . . . A . 22 ARG HB2 . . A . 22 ARG HA . . . 22 . HB1 . . . . . 22 . HA . . c30642_6pv1 1 99 1 OR . 1 1 21 21 GLN HB2 H . . . 1 1 21 21 GLN H H . . . . . 2.377 1.671 3.083 . . . . . A . 21 GLN HB2 . . A . 21 GLN H . . . 21 . HB1 . . . . . 21 . HN . . c30642_6pv1 1 99 2 OR . 1 1 21 21 GLN HB3 H . . . 1 1 21 21 GLN H H . . . . . 2.377 1.671 3.083 . . . . . A . 21 GLN HB3 . . A . 21 GLN H . . . 21 . HB2 . . . . . 21 . HN . . c30642_6pv1 1 100 1 . . 1 1 19 19 GLU HB2 H . . . 1 1 19 19 GLU HA H . . . . . 2.385 1.674 3.096 . . . . . A . 19 GLU HB2 . . A . 19 GLU HA . . . 19 . HB1 . . . . . 19 . HA . . c30642_6pv1 1 101 1 . . 1 1 7 7 TRP HB2 H . . . 1 1 7 7 TRP H H . . . . . 2.386 1.674 3.098 . . . . . A . 7 TRP HB2 . . A . 7 TRP H . . . 7 . HB1 . . . . . 7 . HN . . c30642_6pv1 1 102 1 OR . 1 1 24 24 LYS H H . . . 1 1 24 24 LYS HB2 H . . . . . 2.391 1.676 3.106 . . . . . A . 24 LYS H . . A . 24 LYS HB2 . . . 24 . HN . . . . . 24 . HB1 . . c30642_6pv1 1 102 2 OR . 1 1 24 24 LYS H H . . . 1 1 24 24 LYS HB3 H . . . . . 2.391 1.676 3.106 . . . . . A . 24 LYS H . . A . 24 LYS HB3 . . . 24 . HN . . . . . 24 . HB2 . . c30642_6pv1 1 103 1 . . 1 1 18 18 ASP HA H . . . 1 1 18 18 ASP HB3 H . . . . . 2.391 1.676 3.106 . . . . . A . 18 ASP HA . . A . 18 ASP HB3 . . . 18 . HA . . . . . 18 . HB2 . . c30642_6pv1 1 104 1 . . 1 1 19 19 GLU HB2 H . . . 1 1 19 19 GLU H H . . . . . 2.392 1.677 3.107 . . . . . A . 19 GLU HB2 . . A . 19 GLU H . . . 19 . HB1 . . . . . 19 . HN . . c30642_6pv1 1 105 1 . . 1 1 18 18 ASP HA H . . . 1 1 18 18 ASP HB2 H . . . . . 2.395 1.678 3.112 . . . . . A . 18 ASP HA . . A . 18 ASP HB2 . . . 18 . HA . . . . . 18 . HB1 . . c30642_6pv1 1 106 1 OR . 1 1 25 25 ARG HB2 H . . . 1 1 25 25 ARG HA H . . . . . 2.400 1.680 3.120 . . . . . A . 25 ARG HB2 . . A . 25 ARG HA . . . 25 . HB1 . . . . . 25 . HA . . c30642_6pv1 1 106 2 OR . 1 1 25 25 ARG HB3 H . . . 1 1 25 25 ARG HA H . . . . . 2.400 1.680 3.120 . . . . . A . 25 ARG HB3 . . A . 25 ARG HA . . . 25 . HB2 . . . . . 25 . HA . . c30642_6pv1 1 107 1 . . 1 1 7 7 TRP HB3 H . . . 1 1 7 7 TRP HA H . . . . . 2.415 1.686 3.144 . . . . . A . 7 TRP HB3 . . A . 7 TRP HA . . . 7 . HB2 . . . . . 7 . HA . . c30642_6pv1 1 108 1 . . 1 1 16 16 ARG HG3 H . . . 1 1 16 16 ARG H H . . . . . 2.417 1.687 3.147 . . . . . A . 16 ARG HG3 . . A . 16 ARG H . . . 16 . HG2 . . . . . 16 . HN . . c30642_6pv1 1 109 1 . . 1 1 2 2 PRO HA H . . . 1 1 3 3 PHE H H . . . . . 2.419 1.688 3.150 . . . . . A . 2 PRO HA . . A . 3 PHE H . . . 2 . HA . . . . . 3 . HN . . c30642_6pv1 1 110 1 . . 1 1 5 5 CYS HB2 H . . . 1 1 5 5 CYS HA H . . . . . 2.424 1.690 3.158 . . . . . A . 5 CYS HB2 . . A . 5 CYS HA . . . 5 . HB1 . . . . . 5 . HA . . c30642_6pv1 1 111 1 . . 1 1 14 14 PHE HB3 H . . . 1 1 14 14 PHE HA H . . . . . 2.431 1.693 3.169 . . . . . A . 14 PHE HB3 . . A . 14 PHE HA . . . 14 . HB2 . . . . . 14 . HA . . c30642_6pv1 1 112 1 . . 1 1 13 13 ARG HA H . . . 1 1 13 13 ARG HG3 H . . . . . 2.433 1.693 3.173 . . . . . A . 13 ARG HA . . A . 13 ARG HG3 . . . 13 . HA . . . . . 13 . HG2 . . c30642_6pv1 1 113 1 . . 1 1 27 27 HIS HD2 H . . . 1 1 27 27 HIS HB3 H . . . . . 2.443 1.697 3.189 . . . . . A . 27 HIS HD2 . . A . 27 HIS HB3 . . . 27 . HD2 . . . . . 27 . HB2 . . c30642_6pv1 1 114 1 . . 1 1 26 26 THR H H . . . 1 1 26 26 THR MG H . . . . . 2.443 1.697 3.189 . . . . . A . 26 THR H . . A . 26 THR MG . . . 26 . HN . . . . . 26 . HG21 . . c30642_6pv1 1 115 1 . . 1 1 27 27 HIS HB3 H . . . 1 1 27 27 HIS H H . . . . . 2.446 1.698 3.194 . . . . . A . 27 HIS HB3 . . A . 27 HIS H . . . 27 . HB2 . . . . . 27 . HN . . c30642_6pv1 1 116 1 . . 1 1 22 22 ARG HB2 H . . . 1 1 22 22 ARG HD3 H . . . . . 2.447 1.698 3.196 . . . . . A . 22 ARG HB2 . . A . 22 ARG HD3 . . . 22 . HB1 . . . . . 22 . HD2 . . c30642_6pv1 1 117 1 OR . 1 1 21 21 GLN HB2 H . . . 1 1 18 18 ASP HA H . . . . . 2.449 1.700 3.198 . . . . . A . 21 GLN HB2 . . A . 18 ASP HA . . . 21 . HB1 . . . . . 18 . HA . . c30642_6pv1 1 117 2 OR . 1 1 21 21 GLN HB3 H . . . 1 1 18 18 ASP HA H . . . . . 2.449 1.700 3.198 . . . . . A . 21 GLN HB3 . . A . 18 ASP HA . . . 21 . HB2 . . . . . 18 . HA . . c30642_6pv1 1 118 1 . . 1 1 25 25 ARG H H . . . 1 1 25 25 ARG HG2 H . . . . . 2.453 1.701 3.205 . . . . . A . 25 ARG H . . A . 25 ARG HG2 . . . 25 . HN . . . . . 25 . HG1 . . c30642_6pv1 1 119 1 . . 1 1 2 2 PRO HG3 H . . . 1 1 2 2 PRO HB3 H . . . . . 2.460 1.703 3.217 . . . . . A . 2 PRO HG3 . . A . 2 PRO HB3 . . . 2 . HG2 . . . . . 2 . HB2 . . c30642_6pv1 1 120 1 . . 1 1 25 25 ARG HA H . . . 1 1 25 25 ARG HG3 H . . . . . 2.462 1.704 3.220 . . . . . A . 25 ARG HA . . A . 25 ARG HG3 . . . 25 . HA . . . . . 25 . HG2 . . c30642_6pv1 1 121 1 . . 1 1 20 20 LEU H H . . . 1 1 20 20 LEU HB2 H . . . . . 2.463 1.705 3.221 . . . . . A . 20 LEU H . . A . 20 LEU HB2 . . . 20 . HN . . . . . 20 . HB1 . . c30642_6pv1 1 122 1 . . 1 1 11 11 GLY HA3 H . . . 1 1 11 11 GLY H H . . . . . 2.463 1.705 3.221 . . . . . A . 11 GLY HA3 . . A . 11 GLY H . . . 11 . HA2 . . . . . 11 . HN . . c30642_6pv1 1 123 1 . . 1 1 16 16 ARG HG3 H . . . 1 1 16 16 ARG HA H . . . . . 2.465 1.706 3.224 . . . . . A . 16 ARG HG3 . . A . 16 ARG HA . . . 16 . HG2 . . . . . 16 . HA . . c30642_6pv1 1 124 1 . . 1 1 2 2 PRO HA H . . . 1 1 2 2 PRO HB3 H . . . . . 2.465 1.706 3.224 . . . . . A . 2 PRO HA . . A . 2 PRO HB3 . . . 2 . HA . . . . . 2 . HB2 . . c30642_6pv1 1 125 1 . . 1 1 28 28 THR HA H . . . 1 1 28 28 THR MG H . . . . . 2.465 1.706 3.224 . . . . . A . 28 THR HA . . A . 28 THR MG . . . 28 . HA . . . . . 28 . HG21 . . c30642_6pv1 1 126 1 . . 1 1 5 5 CYS H H . . . 1 1 5 5 CYS HB3 H . . . . . 2.466 1.706 3.226 . . . . . A . 5 CYS H . . A . 5 CYS HB3 . . . 5 . HN . . . . . 5 . HB2 . . c30642_6pv1 1 127 1 . . 1 1 20 20 LEU MD1 H . . . 1 1 5 5 CYS HA H . . . . . 2.468 1.707 3.229 . . . . . A . 20 LEU MD1 . . A . 5 CYS HA . . . 20 . HD11 . . . . . 5 . HA . . c30642_6pv1 1 128 1 OR . 1 1 14 14 PHE HD2 H . . . 1 1 14 14 PHE H H . . . . . 2.472 1.708 3.236 . . . . . A . 14 PHE HD2 . . A . 14 PHE H . . . 14 . HD2 . . . . . 14 . HN . . c30642_6pv1 1 128 2 OR . 1 1 14 14 PHE HD1 H . . . 1 1 14 14 PHE H H . . . . . 2.472 1.708 3.236 . . . . . A . 14 PHE HD1 . . A . 14 PHE H . . . 14 . HD1 . . . . . 14 . HN . . c30642_6pv1 1 129 1 . . 1 1 27 27 HIS HE1 H . . . 1 1 10 10 CYS HB2 H . . . . . 2.475 1.709 3.241 . . . . . A . 27 HIS HE1 . . A . 10 CYS HB2 . . . 27 . HE1 . . . . . 10 . HB1 . . c30642_6pv1 1 130 1 . . 1 1 17 17 SER HA H . . . 1 1 17 17 SER HB3 H . . . . . 2.482 1.712 3.252 . . . . . A . 17 SER HA . . A . 17 SER HB3 . . . 17 . HA . . . . . 17 . HB2 . . c30642_6pv1 1 131 1 . . 1 1 7 7 TRP HB3 H . . . 1 1 7 7 TRP HE3 H . . . . . 2.486 1.713 3.259 . . . . . A . 7 TRP HB3 . . A . 7 TRP HE3 . . . 7 . HB2 . . . . . 7 . HE3 . . c30642_6pv1 1 132 1 . . 1 1 17 17 SER HA H . . . 1 1 20 20 LEU HB3 H . . . . . 2.498 1.718 3.278 . . . . . A . 17 SER HA . . A . 20 LEU HB3 . . . 17 . HA . . . . . 20 . HB2 . . c30642_6pv1 1 133 1 . . 1 1 10 10 CYS HB3 H . . . 1 1 10 10 CYS HA H . . . . . 2.498 1.718 3.278 . . . . . A . 10 CYS HB3 . . A . 10 CYS HA . . . 10 . HB2 . . . . . 10 . HA . . c30642_6pv1 1 134 1 OR . 1 1 20 20 LEU MD1 H . . . 1 1 14 14 PHE HD1 H . . . . . 2.508 1.722 3.294 . . . . . A . 20 LEU MD1 . . A . 14 PHE HD1 . . . 20 . HD11 . . . . . 14 . HD1 . . c30642_6pv1 1 134 2 OR . 1 1 20 20 LEU MD1 H . . . 1 1 14 14 PHE HD2 H . . . . . 2.508 1.722 3.294 . . . . . A . 20 LEU MD1 . . A . 14 PHE HD2 . . . 20 . HD11 . . . . . 14 . HD2 . . c30642_6pv1 1 135 1 OR . 1 1 14 14 PHE HD2 H . . . 1 1 14 14 PHE HA H . . . . . 2.508 1.722 3.294 . . . . . A . 14 PHE HD2 . . A . 14 PHE HA . . . 14 . HD2 . . . . . 14 . HA . . c30642_6pv1 1 135 2 OR . 1 1 14 14 PHE HD1 H . . . 1 1 14 14 PHE HA H . . . . . 2.508 1.722 3.294 . . . . . A . 14 PHE HD1 . . A . 14 PHE HA . . . 14 . HD1 . . . . . 14 . HA . . c30642_6pv1 1 136 1 . . 1 1 26 26 THR H H . . . 1 1 27 27 HIS H H . . . . . 2.511 1.723 3.299 . . . . . A . 26 THR H . . A . 27 HIS H . . . 26 . HN . . . . . 27 . HN . . c30642_6pv1 1 137 1 . . 1 1 4 4 NLE HB2 H . . . 1 1 4 4 NLE HA H . . . . . 2.514 1.724 3.304 . . . . . A . 4 NLE HB2 . . A . 4 NLE HA . . . 4 . HB1 . . . . . 4 . HA . . c30642_6pv1 1 138 1 . . 1 1 14 14 PHE HB2 H . . . 1 1 3 3 PHE HB2 H . . . . . 2.518 1.726 3.310 . . . . . A . 14 PHE HB2 . . A . 3 PHE HB2 . . . 14 . HB1 . . . . . 3 . HB1 . . c30642_6pv1 1 139 1 . . 1 1 20 20 LEU MD2 H . . . 1 1 3 3 PHE HB3 H . . . . . 2.521 1.726 3.316 . . . . . A . 20 LEU MD2 . . A . 3 PHE HB3 . . . 20 . HD21 . . . . . 3 . HB2 . . c30642_6pv1 1 140 1 OR . 1 1 14 14 PHE HE2 H . . . 1 1 5 5 CYS HB2 H . . . . . 2.523 1.727 3.319 . . . . . A . 14 PHE HE2 . . A . 5 CYS HB2 . . . 14 . HE2 . . . . . 5 . HB1 . . c30642_6pv1 1 140 2 OR . 1 1 14 14 PHE HE1 H . . . 1 1 5 5 CYS HB2 H . . . . . 2.523 1.727 3.319 . . . . . A . 14 PHE HE1 . . A . 5 CYS HB2 . . . 14 . HE1 . . . . . 5 . HB1 . . c30642_6pv1 1 141 1 OR . 1 1 3 3 PHE HD2 H . . . 1 1 3 3 PHE HA H . . . . . 2.523 1.727 3.319 . . . . . A . 3 PHE HD2 . . A . 3 PHE HA . . . 3 . HD2 . . . . . 3 . HA . . c30642_6pv1 1 141 2 OR . 1 1 3 3 PHE HD1 H . . . 1 1 3 3 PHE HA H . . . . . 2.523 1.727 3.319 . . . . . A . 3 PHE HD1 . . A . 3 PHE HA . . . 3 . HD1 . . . . . 3 . HA . . c30642_6pv1 1 142 1 OR . 1 1 12 12 LYS HA H . . . 1 1 12 12 LYS HB2 H . . . . . 2.525 1.728 3.322 . . . . . A . 12 LYS HA . . A . 12 LYS HB2 . . . 12 . HA . . . . . 12 . HB1 . . c30642_6pv1 1 142 2 OR . 1 1 12 12 LYS HA H . . . 1 1 12 12 LYS HB3 H . . . . . 2.525 1.728 3.322 . . . . . A . 12 LYS HA . . A . 12 LYS HB3 . . . 12 . HA . . . . . 12 . HB2 . . c30642_6pv1 1 143 1 . . 1 1 23 23 HIS HB3 H . . . 1 1 23 23 HIS HD2 H . . . . . 2.530 1.730 3.330 . . . . . A . 23 HIS HB3 . . A . 23 HIS HD2 . . . 23 . HB2 . . . . . 23 . HD2 . . c30642_6pv1 1 144 1 OR . 1 1 19 19 GLU HG2 H . . . 1 1 14 14 PHE HD2 H . . . . . 2.532 1.731 3.333 . . . . . A . 19 GLU HG2 . . A . 14 PHE HD2 . . . 19 . HG1 . . . . . 14 . HD2 . . c30642_6pv1 1 144 2 OR . 1 1 19 19 GLU HG2 H . . . 1 1 14 14 PHE HD1 H . . . . . 2.532 1.731 3.333 . . . . . A . 19 GLU HG2 . . A . 14 PHE HD1 . . . 19 . HG1 . . . . . 14 . HD1 . . c30642_6pv1 1 144 3 OR . 1 1 19 19 GLU HG3 H . . . 1 1 14 14 PHE HD2 H . . . . . 2.532 1.731 3.333 . . . . . A . 19 GLU HG3 . . A . 14 PHE HD2 . . . 19 . HG2 . . . . . 14 . HD2 . . c30642_6pv1 1 144 4 OR . 1 1 19 19 GLU HG3 H . . . 1 1 14 14 PHE HD1 H . . . . . 2.532 1.731 3.333 . . . . . A . 19 GLU HG3 . . A . 14 PHE HD1 . . . 19 . HG2 . . . . . 14 . HD1 . . c30642_6pv1 1 145 1 . . 1 1 2 2 PRO HA H . . . 1 1 2 2 PRO HB2 H . . . . . 2.534 1.732 3.336 . . . . . A . 2 PRO HA . . A . 2 PRO HB2 . . . 2 . HA . . . . . 2 . HB1 . . c30642_6pv1 1 146 1 . . 1 1 19 19 GLU HB2 H . . . 1 1 14 14 PHE HB3 H . . . . . 2.534 1.732 3.336 . . . . . A . 19 GLU HB2 . . A . 14 PHE HB3 . . . 19 . HB1 . . . . . 14 . HB2 . . c30642_6pv1 1 147 1 . . 1 1 16 16 ARG HG3 H . . . 1 1 16 16 ARG HD3 H . . . . . 2.534 1.732 3.336 . . . . . A . 16 ARG HG3 . . A . 16 ARG HD3 . . . 16 . HG2 . . . . . 16 . HD2 . . c30642_6pv1 1 148 1 . . 1 1 17 17 SER HA H . . . 1 1 17 17 SER HB2 H . . . . . 2.536 1.732 3.340 . . . . . A . 17 SER HA . . A . 17 SER HB2 . . . 17 . HA . . . . . 17 . HB1 . . c30642_6pv1 1 149 1 . . 1 1 26 26 THR H H . . . 1 1 25 25 ARG H H . . . . . 2.537 1.732 3.342 . . . . . A . 26 THR H . . A . 25 ARG H . . . 26 . HN . . . . . 25 . HN . . c30642_6pv1 1 150 1 . . 1 1 20 20 LEU MD1 H . . . 1 1 5 5 CYS HB2 H . . . . . 2.549 1.737 3.361 . . . . . A . 20 LEU MD1 . . A . 5 CYS HB2 . . . 20 . HD11 . . . . . 5 . HB1 . . c30642_6pv1 1 151 1 . . 1 1 20 20 LEU MD2 H . . . 1 1 20 20 LEU HB3 H . . . . . 2.549 1.737 3.361 . . . . . A . 20 LEU MD2 . . A . 20 LEU HB3 . . . 20 . HD21 . . . . . 20 . HB2 . . c30642_6pv1 1 152 1 OR . 1 1 24 24 LYS HD2 H . . . 1 1 24 24 LYS HA H . . . . . 2.552 1.738 3.366 . . . . . A . 24 LYS HD2 . . A . 24 LYS HA . . . 24 . HD1 . . . . . 24 . HA . . c30642_6pv1 1 152 2 OR . 1 1 24 24 LYS HD3 H . . . 1 1 24 24 LYS HA H . . . . . 2.552 1.738 3.366 . . . . . A . 24 LYS HD3 . . A . 24 LYS HA . . . 24 . HD2 . . . . . 24 . HA . . c30642_6pv1 1 153 1 . . 1 1 19 19 GLU HA H . . . 1 1 22 22 ARG HB2 H . . . . . 2.556 1.739 3.373 . . . . . A . 19 GLU HA . . A . 22 ARG HB2 . . . 19 . HA . . . . . 22 . HB1 . . c30642_6pv1 1 154 1 . . 1 1 23 23 HIS H H . . . 1 1 23 23 HIS HB2 H . . . . . 2.556 1.739 3.373 . . . . . A . 23 HIS H . . A . 23 HIS HB2 . . . 23 . HN . . . . . 23 . HB1 . . c30642_6pv1 1 155 1 OR . 1 1 12 12 LYS HA H . . . 1 1 12 12 LYS HD2 H . . . . . 2.558 1.740 3.376 . . . . . A . 12 LYS HA . . A . 12 LYS HD2 . . . 12 . HA . . . . . 12 . HD1 . . c30642_6pv1 1 155 2 OR . 1 1 12 12 LYS HA H . . . 1 1 12 12 LYS HD3 H . . . . . 2.558 1.740 3.376 . . . . . A . 12 LYS HA . . A . 12 LYS HD3 . . . 12 . HA . . . . . 12 . HD2 . . c30642_6pv1 1 156 1 . . 1 1 20 20 LEU MD1 H . . . 1 1 20 20 LEU HB2 H . . . . . 2.560 1.741 3.379 . . . . . A . 20 LEU MD1 . . A . 20 LEU HB2 . . . 20 . HD11 . . . . . 20 . HB1 . . c30642_6pv1 1 157 1 . . 1 1 20 20 LEU HG H . . . 1 1 20 20 LEU HB3 H . . . . . 2.562 1.742 3.382 . . . . . A . 20 LEU HG . . A . 20 LEU HB3 . . . 20 . HG . . . . . 20 . HB2 . . c30642_6pv1 1 158 1 OR . 1 1 21 21 GLN HA H . . . 1 1 24 24 LYS HB2 H . . . . . 2.566 1.743 3.389 . . . . . A . 21 GLN HA . . A . 24 LYS HB2 . . . 21 . HA . . . . . 24 . HB1 . . c30642_6pv1 1 158 2 OR . 1 1 21 21 GLN HA H . . . 1 1 24 24 LYS HB3 H . . . . . 2.566 1.743 3.389 . . . . . A . 21 GLN HA . . A . 24 LYS HB3 . . . 21 . HA . . . . . 24 . HB2 . . c30642_6pv1 1 159 1 . . 1 1 2 2 PRO HD3 H . . . 1 1 1 1 ARG HA H . . . . . 2.568 1.744 3.392 . . . . . A . 2 PRO HD3 . . A . 1 ARG HA . . . 2 . HD2 . . . . . 1 . HA . . c30642_6pv1 1 160 1 . . 1 1 7 7 TRP HB2 H . . . 1 1 7 7 TRP HA H . . . . . 2.568 1.744 3.392 . . . . . A . 7 TRP HB2 . . A . 7 TRP HA . . . 7 . HB1 . . . . . 7 . HA . . c30642_6pv1 1 161 1 . . 1 1 15 15 THR MG H . . . 1 1 15 15 THR HA H . . . . . 2.570 1.744 3.396 . . . . . A . 15 THR MG . . A . 15 THR HA . . . 15 . HG21 . . . . . 15 . HA . . c30642_6pv1 1 162 1 OR . 1 1 25 25 ARG HD2 H . . . 1 1 25 25 ARG HG3 H . . . . . 2.572 1.745 3.399 . . . . . A . 25 ARG HD2 . . A . 25 ARG HG3 . . . 25 . HD1 . . . . . 25 . HG2 . . c30642_6pv1 1 162 2 OR . 1 1 25 25 ARG HD3 H . . . 1 1 25 25 ARG HG3 H . . . . . 2.572 1.745 3.399 . . . . . A . 25 ARG HD3 . . A . 25 ARG HG3 . . . 25 . HD2 . . . . . 25 . HG2 . . c30642_6pv1 1 163 1 OR . 1 1 20 20 LEU MD1 H . . . 1 1 14 14 PHE HE2 H . . . . . 2.572 1.745 3.399 . . . . . A . 20 LEU MD1 . . A . 14 PHE HE2 . . . 20 . HD11 . . . . . 14 . HE2 . . c30642_6pv1 1 163 2 OR . 1 1 20 20 LEU MD1 H . . . 1 1 14 14 PHE HE1 H . . . . . 2.572 1.745 3.399 . . . . . A . 20 LEU MD1 . . A . 14 PHE HE1 . . . 20 . HD11 . . . . . 14 . HE1 . . c30642_6pv1 1 164 1 . . 1 1 3 3 PHE HB3 H . . . 1 1 3 3 PHE HA H . . . . . 2.572 1.745 3.399 . . . . . A . 3 PHE HB3 . . A . 3 PHE HA . . . 3 . HB2 . . . . . 3 . HA . . c30642_6pv1 1 165 1 . . 1 1 23 23 HIS HD2 H . . . 1 1 20 20 LEU MD1 H . . . . . 2.572 1.745 3.399 . . . . . A . 23 HIS HD2 . . A . 20 LEU MD1 . . . 23 . HD2 . . . . . 20 . HD11 . . c30642_6pv1 1 166 1 OR . 1 1 13 13 ARG H H . . . 1 1 13 13 ARG HB2 H . . . . . 2.574 1.746 3.402 . . . . . A . 13 ARG H . . A . 13 ARG HB2 . . . 13 . HN . . . . . 13 . HB1 . . c30642_6pv1 1 166 2 OR . 1 1 13 13 ARG H H . . . 1 1 13 13 ARG HB3 H . . . . . 2.574 1.746 3.402 . . . . . A . 13 ARG H . . A . 13 ARG HB3 . . . 13 . HN . . . . . 13 . HB2 . . c30642_6pv1 1 167 1 . . 1 1 5 5 CYS H H . . . 1 1 5 5 CYS HB2 H . . . . . 2.578 1.747 3.409 . . . . . A . 5 CYS H . . A . 5 CYS HB2 . . . 5 . HN . . . . . 5 . HB1 . . c30642_6pv1 1 168 1 . . 1 1 3 3 PHE HB3 H . . . 1 1 20 20 LEU HB2 H . . . . . 2.582 1.749 3.415 . . . . . A . 3 PHE HB3 . . A . 20 LEU HB2 . . . 3 . HB2 . . . . . 20 . HB1 . . c30642_6pv1 1 169 1 OR . 1 1 12 12 LYS HB2 H . . . 1 1 23 23 HIS HE1 H . . . . . 2.584 1.749 3.419 . . . . . A . 12 LYS HB2 . . A . 23 HIS HE1 . . . 12 . HB1 . . . . . 23 . HE1 . . c30642_6pv1 1 169 2 OR . 1 1 12 12 LYS HB3 H . . . 1 1 23 23 HIS HE1 H . . . . . 2.584 1.749 3.419 . . . . . A . 12 LYS HB3 . . A . 23 HIS HE1 . . . 12 . HB2 . . . . . 23 . HE1 . . c30642_6pv1 1 170 1 . . 1 1 23 23 HIS HA H . . . 1 1 23 23 HIS HB2 H . . . . . 2.586 1.750 3.422 . . . . . A . 23 HIS HA . . A . 23 HIS HB2 . . . 23 . HA . . . . . 23 . HB1 . . c30642_6pv1 1 171 1 OR . 1 1 16 16 ARG HA H . . . 1 1 16 16 ARG HB2 H . . . . . 2.591 1.752 3.430 . . . . . A . 16 ARG HA . . A . 16 ARG HB2 . . . 16 . HA . . . . . 16 . HB1 . . c30642_6pv1 1 171 2 OR . 1 1 16 16 ARG HA H . . . 1 1 16 16 ARG HB3 H . . . . . 2.591 1.752 3.430 . . . . . A . 16 ARG HA . . A . 16 ARG HB3 . . . 16 . HA . . . . . 16 . HB2 . . c30642_6pv1 1 172 1 OR . 1 1 12 12 LYS HB2 H . . . 1 1 14 14 PHE HE2 H . . . . . 2.593 1.753 3.433 . . . . . A . 12 LYS HB2 . . A . 14 PHE HE2 . . . 12 . HB1 . . . . . 14 . HE2 . . c30642_6pv1 1 172 2 OR . 1 1 12 12 LYS HB3 H . . . 1 1 14 14 PHE HE2 H . . . . . 2.593 1.753 3.433 . . . . . A . 12 LYS HB3 . . A . 14 PHE HE2 . . . 12 . HB2 . . . . . 14 . HE2 . . c30642_6pv1 1 172 3 OR . 1 1 12 12 LYS HB3 H . . . 1 1 14 14 PHE HE1 H . . . . . 2.593 1.753 3.433 . . . . . A . 12 LYS HB3 . . A . 14 PHE HE1 . . . 12 . HB2 . . . . . 14 . HE1 . . c30642_6pv1 1 172 4 OR . 1 1 12 12 LYS HB2 H . . . 1 1 14 14 PHE HE1 H . . . . . 2.593 1.753 3.433 . . . . . A . 12 LYS HB2 . . A . 14 PHE HE1 . . . 12 . HB1 . . . . . 14 . HE1 . . c30642_6pv1 1 173 1 . . 1 1 10 10 CYS H H . . . 1 1 10 10 CYS HA H . . . . . 2.595 1.753 3.437 . . . . . A . 10 CYS H . . A . 10 CYS HA . . . 10 . HN . . . . . 10 . HA . . c30642_6pv1 1 174 1 . . 1 1 25 25 ARG H H . . . 1 1 25 25 ARG HA H . . . . . 2.597 1.754 3.440 . . . . . A . 25 ARG H . . A . 25 ARG HA . . . 25 . HN . . . . . 25 . HA . . c30642_6pv1 1 175 1 . . 1 1 2 2 PRO HG3 H . . . 1 1 2 2 PRO HD3 H . . . . . 2.597 1.754 3.440 . . . . . A . 2 PRO HG3 . . A . 2 PRO HD3 . . . 2 . HG2 . . . . . 2 . HD2 . . c30642_6pv1 1 176 1 . . 1 1 14 14 PHE HZ H . . . 1 1 23 23 HIS HB2 H . . . . . 2.599 1.755 3.443 . . . . . A . 14 PHE HZ . . A . 23 HIS HB2 . . . 14 . HZ . . . . . 23 . HB1 . . c30642_6pv1 1 177 1 . . 1 1 14 14 PHE HB3 H . . . 1 1 16 16 ARG H H . . . . . 2.601 1.755 3.447 . . . . . A . 14 PHE HB3 . . A . 16 ARG H . . . 14 . HB2 . . . . . 16 . HN . . c30642_6pv1 1 178 1 OR . 1 1 21 21 GLN HA H . . . 1 1 21 21 GLN HG2 H . . . . . 2.603 1.756 3.450 . . . . . A . 21 GLN HA . . A . 21 GLN HG2 . . . 21 . HA . . . . . 21 . HG1 . . c30642_6pv1 1 178 2 OR . 1 1 21 21 GLN HA H . . . 1 1 21 21 GLN HG3 H . . . . . 2.603 1.756 3.450 . . . . . A . 21 GLN HA . . A . 21 GLN HG3 . . . 21 . HA . . . . . 21 . HG2 . . c30642_6pv1 1 179 1 . . 1 1 20 20 LEU HA H . . . 1 1 20 20 LEU HB3 H . . . . . 2.603 1.756 3.450 . . . . . A . 20 LEU HA . . A . 20 LEU HB3 . . . 20 . HA . . . . . 20 . HB2 . . c30642_6pv1 1 180 1 OR . 1 1 21 21 GLN HB2 H . . . 1 1 22 22 ARG H H . . . . . 2.606 1.757 3.455 . . . . . A . 21 GLN HB2 . . A . 22 ARG H . . . 21 . HB1 . . . . . 22 . HN . . c30642_6pv1 1 180 2 OR . 1 1 21 21 GLN HB3 H . . . 1 1 22 22 ARG H H . . . . . 2.606 1.757 3.455 . . . . . A . 21 GLN HB3 . . A . 22 ARG H . . . 21 . HB2 . . . . . 22 . HN . . c30642_6pv1 1 181 1 . . 1 1 14 14 PHE HB2 H . . . 1 1 14 14 PHE H H . . . . . 2.606 1.757 3.455 . . . . . A . 14 PHE HB2 . . A . 14 PHE H . . . 14 . HB1 . . . . . 14 . HN . . c30642_6pv1 1 182 1 OR . 1 1 14 14 PHE HE2 H . . . 1 1 12 12 LYS HG2 H . . . . . 2.606 1.757 3.455 . . . . . A . 14 PHE HE2 . . A . 12 LYS HG2 . . . 14 . HE2 . . . . . 12 . HG1 . . c30642_6pv1 1 182 2 OR . 1 1 14 14 PHE HE1 H . . . 1 1 12 12 LYS HG2 H . . . . . 2.606 1.757 3.455 . . . . . A . 14 PHE HE1 . . A . 12 LYS HG2 . . . 14 . HE1 . . . . . 12 . HG1 . . c30642_6pv1 1 183 1 . . 1 1 21 21 GLN HA H . . . 1 1 21 21 GLN H H . . . . . 2.619 1.762 3.476 . . . . . A . 21 GLN HA . . A . 21 GLN H . . . 21 . HA . . . . . 21 . HN . . c30642_6pv1 1 184 1 . . 1 1 20 20 LEU MD1 H . . . 1 1 20 20 LEU HB3 H . . . . . 2.619 1.762 3.476 . . . . . A . 20 LEU MD1 . . A . 20 LEU HB3 . . . 20 . HD11 . . . . . 20 . HB2 . . c30642_6pv1 1 185 1 . . 1 1 7 7 TRP HB2 H . . . 1 1 7 7 TRP HD1 H . . . . . 2.621 1.762 3.480 . . . . . A . 7 TRP HB2 . . A . 7 TRP HD1 . . . 7 . HB1 . . . . . 7 . HD1 . . c30642_6pv1 1 186 1 . . 1 1 19 19 GLU H H . . . 1 1 19 19 GLU HB3 H . . . . . 2.621 1.762 3.480 . . . . . A . 19 GLU H . . A . 19 GLU HB3 . . . 19 . HN . . . . . 19 . HB2 . . c30642_6pv1 1 187 1 . . 1 1 19 19 GLU HA H . . . 1 1 19 19 GLU H H . . . . . 2.624 1.764 3.484 . . . . . A . 19 GLU HA . . A . 19 GLU H . . . 19 . HA . . . . . 19 . HN . . c30642_6pv1 1 188 1 . . 1 1 23 23 HIS H H . . . 1 1 24 24 LYS H H . . . . . 2.624 1.764 3.484 . . . . . A . 23 HIS H . . A . 24 LYS H . . . 23 . HN . . . . . 24 . HN . . c30642_6pv1 1 189 1 OR . 1 1 22 22 ARG HA H . . . 1 1 22 22 ARG HG2 H . . . . . 2.628 1.764 3.492 . . . . . A . 22 ARG HA . . A . 22 ARG HG2 . . . 22 . HA . . . . . 22 . HG1 . . c30642_6pv1 1 189 2 OR . 1 1 22 22 ARG HA H . . . 1 1 22 22 ARG HG3 H . . . . . 2.628 1.764 3.492 . . . . . A . 22 ARG HA . . A . 22 ARG HG3 . . . 22 . HA . . . . . 22 . HG2 . . c30642_6pv1 1 190 1 . . 1 1 23 23 HIS HA H . . . 1 1 26 26 THR MG H . . . . . 2.628 1.764 3.492 . . . . . A . 23 HIS HA . . A . 26 THR MG . . . 23 . HA . . . . . 26 . HG21 . . c30642_6pv1 1 191 1 . . 1 1 7 7 TRP H H . . . 1 1 7 7 TRP HA H . . . . . 2.631 1.766 3.496 . . . . . A . 7 TRP H . . A . 7 TRP HA . . . 7 . HN . . . . . 7 . HA . . c30642_6pv1 1 192 1 . . 1 1 23 23 HIS HB3 H . . . 1 1 24 24 LYS H H . . . . . 2.638 1.768 3.508 . . . . . A . 23 HIS HB3 . . A . 24 LYS H . . . 23 . HB2 . . . . . 24 . HN . . c30642_6pv1 1 193 1 . . 1 1 21 21 GLN H H . . . 1 1 20 20 LEU H H . . . . . 2.640 1.769 3.511 . . . . . A . 21 GLN H . . A . 20 LEU H . . . 21 . HN . . . . . 20 . HN . . c30642_6pv1 1 194 1 . . 1 1 26 26 THR H H . . . 1 1 26 26 THR HA H . . . . . 2.640 1.769 3.511 . . . . . A . 26 THR H . . A . 26 THR HA . . . 26 . HN . . . . . 26 . HA . . c30642_6pv1 1 195 1 . . 1 1 28 28 THR H H . . . 1 1 27 27 HIS H H . . . . . 2.643 1.770 3.516 . . . . . A . 28 THR H . . A . 27 HIS H . . . 28 . HN . . . . . 27 . HN . . c30642_6pv1 1 196 1 . . 1 1 27 27 HIS HA H . . . 1 1 27 27 HIS H H . . . . . 2.645 1.770 3.520 . . . . . A . 27 HIS HA . . A . 27 HIS H . . . 27 . HA . . . . . 27 . HN . . c30642_6pv1 1 197 1 . . 1 1 11 11 GLY H H . . . 1 1 10 10 CYS HB2 H . . . . . 2.645 1.770 3.520 . . . . . A . 11 GLY H . . A . 10 CYS HB2 . . . 11 . HN . . . . . 10 . HB1 . . c30642_6pv1 1 198 1 . . 1 1 5 5 CYS HB3 H . . . 1 1 5 5 CYS HA H . . . . . 2.650 1.772 3.528 . . . . . A . 5 CYS HB3 . . A . 5 CYS HA . . . 5 . HB2 . . . . . 5 . HA . . c30642_6pv1 1 199 1 . . 1 1 24 24 LYS H H . . . 1 1 25 25 ARG H H . . . . . 2.653 1.774 3.532 . . . . . A . 24 LYS H . . A . 25 ARG H . . . 24 . HN . . . . . 25 . HN . . c30642_6pv1 1 200 1 OR . 1 1 14 14 PHE HD2 H . . . 1 1 20 20 LEU HB2 H . . . . . 2.653 1.774 3.532 . . . . . A . 14 PHE HD2 . . A . 20 LEU HB2 . . . 14 . HD2 . . . . . 20 . HB1 . . c30642_6pv1 1 200 2 OR . 1 1 14 14 PHE HD1 H . . . 1 1 20 20 LEU HB2 H . . . . . 2.653 1.774 3.532 . . . . . A . 14 PHE HD1 . . A . 20 LEU HB2 . . . 14 . HD1 . . . . . 20 . HB1 . . c30642_6pv1 1 201 1 . . 1 1 24 24 LYS H H . . . 1 1 24 24 LYS HA H . . . . . 2.653 1.774 3.532 . . . . . A . 24 LYS H . . A . 24 LYS HA . . . 24 . HN . . . . . 24 . HA . . c30642_6pv1 1 202 1 . . 1 1 22 22 ARG H H . . . 1 1 22 22 ARG HA H . . . . . 2.655 1.774 3.536 . . . . . A . 22 ARG H . . A . 22 ARG HA . . . 22 . HN . . . . . 22 . HA . . c30642_6pv1 1 203 1 . . 1 1 27 27 HIS HA H . . . 1 1 27 27 HIS HB2 H . . . . . 2.660 1.775 3.545 . . . . . A . 27 HIS HA . . A . 27 HIS HB2 . . . 27 . HA . . . . . 27 . HB1 . . c30642_6pv1 1 204 1 OR . 1 1 20 20 LEU MD2 H . . . 1 1 3 3 PHE HD2 H . . . . . 2.665 1.777 3.553 . . . . . A . 20 LEU MD2 . . A . 3 PHE HD2 . . . 20 . HD21 . . . . . 3 . HD2 . . c30642_6pv1 1 204 2 OR . 1 1 20 20 LEU MD2 H . . . 1 1 3 3 PHE HD1 H . . . . . 2.665 1.777 3.553 . . . . . A . 20 LEU MD2 . . A . 3 PHE HD1 . . . 20 . HD21 . . . . . 3 . HD1 . . c30642_6pv1 1 205 1 . . 1 1 13 13 ARG H H . . . 1 1 13 13 ARG HG3 H . . . . . 2.665 1.777 3.553 . . . . . A . 13 ARG H . . A . 13 ARG HG3 . . . 13 . HN . . . . . 13 . HG2 . . c30642_6pv1 1 206 1 OR . 1 1 20 20 LEU MD1 H . . . 1 1 24 24 LYS HG3 H . . . . . 2.668 1.778 3.558 . . . . . A . 20 LEU MD1 . . A . 24 LYS HG3 . . . 20 . HD11 . . . . . 24 . HG2 . . c30642_6pv1 1 206 2 OR . 1 1 20 20 LEU MD1 H . . . 1 1 24 24 LYS HG2 H . . . . . 2.668 1.778 3.558 . . . . . A . 20 LEU MD1 . . A . 24 LYS HG2 . . . 20 . HD11 . . . . . 24 . HG1 . . c30642_6pv1 1 207 1 . . 1 1 19 19 GLU HA H . . . 1 1 19 19 GLU HB3 H . . . . . 2.668 1.778 3.558 . . . . . A . 19 GLU HA . . A . 19 GLU HB3 . . . 19 . HA . . . . . 19 . HB2 . . c30642_6pv1 1 208 1 . . 1 1 14 14 PHE H H . . . 1 1 13 13 ARG HG3 H . . . . . 2.670 1.779 3.561 . . . . . A . 14 PHE H . . A . 13 ARG HG3 . . . 14 . HN . . . . . 13 . HG2 . . c30642_6pv1 1 209 1 . . 1 1 21 21 GLN H H . . . 1 1 20 20 LEU HB3 H . . . . . 2.676 1.781 3.571 . . . . . A . 21 GLN H . . A . 20 LEU HB3 . . . 21 . HN . . . . . 20 . HB2 . . c30642_6pv1 1 210 1 . . 1 1 16 16 ARG HA H . . . 1 1 17 17 SER H H . . . . . 2.681 1.782 3.580 . . . . . A . 16 ARG HA . . A . 17 SER H . . . 16 . HA . . . . . 17 . HN . . c30642_6pv1 1 211 1 . . 1 1 20 20 LEU HA H . . . 1 1 20 20 LEU H H . . . . . 2.681 1.782 3.580 . . . . . A . 20 LEU HA . . A . 20 LEU H . . . 20 . HA . . . . . 20 . HN . . c30642_6pv1 1 212 1 . . 1 1 4 4 NLE HA H . . . 1 1 4 4 NLE HB3 H . . . . . 2.681 1.782 3.580 . . . . . A . 4 NLE HA . . A . 4 NLE HB3 . . . 4 . HA . . . . . 4 . HB2 . . c30642_6pv1 1 213 1 . . 1 1 7 7 TRP HZ2 H . . . 1 1 7 7 TRP HE1 H . . . . . 2.684 1.784 3.584 . . . . . A . 7 TRP HZ2 . . A . 7 TRP HE1 . . . 7 . HZ2 . . . . . 7 . HE1 . . c30642_6pv1 1 214 1 OR . 1 1 13 13 ARG HA H . . . 1 1 13 13 ARG HB2 H . . . . . 2.686 1.784 3.588 . . . . . A . 13 ARG HA . . A . 13 ARG HB2 . . . 13 . HA . . . . . 13 . HB1 . . c30642_6pv1 1 214 2 OR . 1 1 13 13 ARG HA H . . . 1 1 13 13 ARG HB3 H . . . . . 2.686 1.784 3.588 . . . . . A . 13 ARG HA . . A . 13 ARG HB3 . . . 13 . HA . . . . . 13 . HB2 . . c30642_6pv1 1 215 1 . . 1 1 13 13 ARG H H . . . 1 1 12 12 LYS HG2 H . . . . . 2.689 1.785 3.593 . . . . . A . 13 ARG H . . A . 12 LYS HG2 . . . 13 . HN . . . . . 12 . HG1 . . c30642_6pv1 1 216 1 . . 1 1 3 3 PHE HB2 H . . . 1 1 3 3 PHE H H . . . . . 2.692 1.786 3.598 . . . . . A . 3 PHE HB2 . . A . 3 PHE H . . . 3 . HB1 . . . . . 3 . HN . . c30642_6pv1 1 217 1 . . 1 1 14 14 PHE HB2 H . . . 1 1 14 14 PHE HA H . . . . . 2.695 1.787 3.603 . . . . . A . 14 PHE HB2 . . A . 14 PHE HA . . . 14 . HB1 . . . . . 14 . HA . . c30642_6pv1 1 218 1 . . 1 1 23 23 HIS HA H . . . 1 1 23 23 HIS HB3 H . . . . . 2.698 1.788 3.608 . . . . . A . 23 HIS HA . . A . 23 HIS HB3 . . . 23 . HA . . . . . 23 . HB2 . . c30642_6pv1 1 219 1 . . 1 1 7 7 TRP HB2 H . . . 1 1 10 10 CYS HB2 H . . . . . 2.700 1.788 3.612 . . . . . A . 7 TRP HB2 . . A . 10 CYS HB2 . . . 7 . HB1 . . . . . 10 . HB1 . . c30642_6pv1 1 220 1 . . 1 1 2 2 PRO HB2 H . . . 1 1 2 2 PRO HD2 H . . . . . 2.706 1.791 3.621 . . . . . A . 2 PRO HB2 . . A . 2 PRO HD2 . . . 2 . HB1 . . . . . 2 . HD1 . . c30642_6pv1 1 221 1 . . 1 1 2 2 PRO HD2 H . . . 1 1 2 2 PRO HG2 H . . . . . 2.706 1.791 3.621 . . . . . A . 2 PRO HD2 . . A . 2 PRO HG2 . . . 2 . HD1 . . . . . 2 . HG1 . . c30642_6pv1 1 222 1 OR . 1 1 23 23 HIS HD2 H . . . 1 1 14 14 PHE HE2 H . . . . . 2.709 1.792 3.626 . . . . . A . 23 HIS HD2 . . A . 14 PHE HE2 . . . 23 . HD2 . . . . . 14 . HE2 . . c30642_6pv1 1 222 2 OR . 1 1 23 23 HIS HD2 H . . . 1 1 14 14 PHE HE1 H . . . . . 2.709 1.792 3.626 . . . . . A . 23 HIS HD2 . . A . 14 PHE HE1 . . . 23 . HD2 . . . . . 14 . HE1 . . c30642_6pv1 1 223 1 . . 1 1 31 31 LYS HA H . . . 1 1 31 31 LYS HB2 H . . . . . 2.715 1.794 3.636 . . . . . A . 31 LYS HA . . A . 31 LYS HB2 . . . 31 . HA . . . . . 31 . HB1 . . c30642_6pv1 1 224 1 OR . 1 1 21 21 GLN H H . . . 1 1 21 21 GLN HG2 H . . . . . 2.715 1.794 3.636 . . . . . A . 21 GLN H . . A . 21 GLN HG2 . . . 21 . HN . . . . . 21 . HG1 . . c30642_6pv1 1 224 2 OR . 1 1 21 21 GLN H H . . . 1 1 21 21 GLN HG3 H . . . . . 2.715 1.794 3.636 . . . . . A . 21 GLN H . . A . 21 GLN HG3 . . . 21 . HN . . . . . 21 . HG2 . . c30642_6pv1 1 225 1 . . 1 1 15 15 THR H H . . . 1 1 14 14 PHE HA H . . . . . 2.715 1.794 3.636 . . . . . A . 15 THR H . . A . 14 PHE HA . . . 15 . HN . . . . . 14 . HA . . c30642_6pv1 1 226 1 . . 1 1 22 22 ARG H H . . . 1 1 21 21 GLN H H . . . . . 2.715 1.794 3.636 . . . . . A . 22 ARG H . . A . 21 GLN H . . . 22 . HN . . . . . 21 . HN . . c30642_6pv1 1 227 1 . . 1 1 14 14 PHE HZ H . . . 1 1 12 12 LYS HG2 H . . . . . 2.718 1.795 3.641 . . . . . A . 14 PHE HZ . . A . 12 LYS HG2 . . . 14 . HZ . . . . . 12 . HG1 . . c30642_6pv1 1 228 1 . . 1 1 3 3 PHE HB2 H . . . 1 1 20 20 LEU HB2 H . . . . . 2.718 1.795 3.641 . . . . . A . 3 PHE HB2 . . A . 20 LEU HB2 . . . 3 . HB1 . . . . . 20 . HB1 . . c30642_6pv1 1 229 1 OR . 1 1 19 19 GLU HB2 H . . . 1 1 14 14 PHE HD2 H . . . . . 2.721 1.796 3.646 . . . . . A . 19 GLU HB2 . . A . 14 PHE HD2 . . . 19 . HB1 . . . . . 14 . HD2 . . c30642_6pv1 1 229 2 OR . 1 1 19 19 GLU HB2 H . . . 1 1 14 14 PHE HD1 H . . . . . 2.721 1.796 3.646 . . . . . A . 19 GLU HB2 . . A . 14 PHE HD1 . . . 19 . HB1 . . . . . 14 . HD1 . . c30642_6pv1 1 230 1 . . 1 1 4 4 NLE HB2 H . . . 1 1 4 4 NLE H H . . . . . 2.721 1.796 3.646 . . . . . A . 4 NLE HB2 . . A . 4 NLE H . . . 4 . HB1 . . . . . 4 . HN . . c30642_6pv1 1 231 1 OR . 1 1 14 14 PHE HD2 H . . . 1 1 13 13 ARG HA H . . . . . 2.721 1.796 3.646 . . . . . A . 14 PHE HD2 . . A . 13 ARG HA . . . 14 . HD2 . . . . . 13 . HA . . c30642_6pv1 1 231 2 OR . 1 1 14 14 PHE HD1 H . . . 1 1 13 13 ARG HA H . . . . . 2.721 1.796 3.646 . . . . . A . 14 PHE HD1 . . A . 13 ARG HA . . . 14 . HD1 . . . . . 13 . HA . . c30642_6pv1 1 232 1 . . 1 1 25 25 ARG H H . . . 1 1 25 25 ARG HG3 H . . . . . 2.721 1.796 3.646 . . . . . A . 25 ARG H . . A . 25 ARG HG3 . . . 25 . HN . . . . . 25 . HG2 . . c30642_6pv1 1 233 1 . . 1 1 10 10 CYS H H . . . 1 1 11 11 GLY H H . . . . . 2.724 1.797 3.651 . . . . . A . 10 CYS H . . A . 11 GLY H . . . 10 . HN . . . . . 11 . HN . . c30642_6pv1 1 234 1 OR . 1 1 12 12 LYS HB2 H . . . 1 1 14 14 PHE HZ H . . . . . 2.727 1.798 3.656 . . . . . A . 12 LYS HB2 . . A . 14 PHE HZ . . . 12 . HB1 . . . . . 14 . HZ . . c30642_6pv1 1 234 2 OR . 1 1 12 12 LYS HB3 H . . . 1 1 14 14 PHE HZ H . . . . . 2.727 1.798 3.656 . . . . . A . 12 LYS HB3 . . A . 14 PHE HZ . . . 12 . HB2 . . . . . 14 . HZ . . c30642_6pv1 1 235 1 . . 1 1 4 4 NLE H H . . . 1 1 4 4 NLE HB3 H . . . . . 2.742 1.802 3.682 . . . . . A . 4 NLE H . . A . 4 NLE HB3 . . . 4 . HN . . . . . 4 . HB2 . . c30642_6pv1 1 236 1 . . 1 1 10 10 CYS HB3 H . . . 1 1 7 7 TRP HB2 H . . . . . 2.745 1.803 3.687 . . . . . A . 10 CYS HB3 . . A . 7 TRP HB2 . . . 10 . HB2 . . . . . 7 . HB1 . . c30642_6pv1 1 237 1 . . 1 1 20 20 LEU HA H . . . 1 1 23 23 HIS HB2 H . . . . . 2.752 1.805 3.699 . . . . . A . 20 LEU HA . . A . 23 HIS HB2 . . . 20 . HA . . . . . 23 . HB1 . . c30642_6pv1 1 238 1 . . 1 1 23 23 HIS HD2 H . . . 1 1 24 24 LYS HA H . . . . . 2.755 1.806 3.704 . . . . . A . 23 HIS HD2 . . A . 24 LYS HA . . . 23 . HD2 . . . . . 24 . HA . . c30642_6pv1 1 239 1 OR . 1 1 1 1 ARG HB2 H . . . 1 1 1 1 ARG HA H . . . . . 2.755 1.806 3.704 . . . . . A . 1 ARG HB2 . . A . 1 ARG HA . . . 1 . HB1 . . . . . 1 . HA . . c30642_6pv1 1 239 2 OR . 1 1 1 1 ARG HB3 H . . . 1 1 1 1 ARG HA H . . . . . 2.755 1.806 3.704 . . . . . A . 1 ARG HB3 . . A . 1 ARG HA . . . 1 . HB2 . . . . . 1 . HA . . c30642_6pv1 1 240 1 . . 1 1 7 7 TRP HA H . . . 1 1 7 7 TRP HE3 H . . . . . 2.762 1.809 3.715 . . . . . A . 7 TRP HA . . A . 7 TRP HE3 . . . 7 . HA . . . . . 7 . HE3 . . c30642_6pv1 1 241 1 OR . 1 1 3 3 PHE HD2 H . . . 1 1 3 3 PHE H H . . . . . 2.768 1.810 3.726 . . . . . A . 3 PHE HD2 . . A . 3 PHE H . . . 3 . HD2 . . . . . 3 . HN . . c30642_6pv1 1 241 2 OR . 1 1 3 3 PHE HD1 H . . . 1 1 3 3 PHE H H . . . . . 2.768 1.810 3.726 . . . . . A . 3 PHE HD1 . . A . 3 PHE H . . . 3 . HD1 . . . . . 3 . HN . . c30642_6pv1 1 242 1 . . 1 1 16 16 ARG H H . . . 1 1 16 16 ARG HA H . . . . . 2.778 1.813 3.743 . . . . . A . 16 ARG H . . A . 16 ARG HA . . . 16 . HN . . . . . 16 . HA . . c30642_6pv1 1 243 1 . . 1 1 3 3 PHE HB2 H . . . 1 1 3 3 PHE HA H . . . . . 2.782 1.815 3.749 . . . . . A . 3 PHE HB2 . . A . 3 PHE HA . . . 3 . HB1 . . . . . 3 . HA . . c30642_6pv1 1 244 1 OR . 1 1 24 24 LYS HB2 H . . . 1 1 25 25 ARG H H . . . . . 2.785 1.815 3.755 . . . . . A . 24 LYS HB2 . . A . 25 ARG H . . . 24 . HB1 . . . . . 25 . HN . . c30642_6pv1 1 244 2 OR . 1 1 24 24 LYS HB3 H . . . 1 1 25 25 ARG H H . . . . . 2.785 1.815 3.755 . . . . . A . 24 LYS HB3 . . A . 25 ARG H . . . 24 . HB2 . . . . . 25 . HN . . c30642_6pv1 1 245 1 . . 1 1 23 23 HIS HD2 H . . . 1 1 5 5 CYS HB3 H . . . . . 2.785 1.815 3.755 . . . . . A . 23 HIS HD2 . . A . 5 CYS HB3 . . . 23 . HD2 . . . . . 5 . HB2 . . c30642_6pv1 1 246 1 . . 1 1 28 28 THR H H . . . 1 1 28 28 THR MG H . . . . . 2.785 1.815 3.755 . . . . . A . 28 THR H . . A . 28 THR MG . . . 28 . HN . . . . . 28 . HG21 . . c30642_6pv1 1 247 1 . . 1 1 7 7 TRP HB2 H . . . 1 1 7 7 TRP HE3 H . . . . . 2.793 1.818 3.768 . . . . . A . 7 TRP HB2 . . A . 7 TRP HE3 . . . 7 . HB1 . . . . . 7 . HE3 . . c30642_6pv1 1 248 1 . . 1 1 14 14 PHE HB2 H . . . 1 1 20 20 LEU HB2 H . . . . . 2.796 1.819 3.773 . . . . . A . 14 PHE HB2 . . A . 20 LEU HB2 . . . 14 . HB1 . . . . . 20 . HB1 . . c30642_6pv1 1 249 1 OR . 1 1 17 17 SER HA H . . . 1 1 3 3 PHE HE2 H . . . . . 2.796 1.819 3.773 . . . . . A . 17 SER HA . . A . 3 PHE HE2 . . . 17 . HA . . . . . 3 . HE2 . . c30642_6pv1 1 249 2 OR . 1 1 17 17 SER HA H . . . 1 1 3 3 PHE HE1 H . . . . . 2.796 1.819 3.773 . . . . . A . 17 SER HA . . A . 3 PHE HE1 . . . 17 . HA . . . . . 3 . HE1 . . c30642_6pv1 1 250 1 . . 1 1 7 7 TRP HD1 H . . . 1 1 10 10 CYS HB2 H . . . . . 2.796 1.819 3.773 . . . . . A . 7 TRP HD1 . . A . 10 CYS HB2 . . . 7 . HD1 . . . . . 10 . HB1 . . c30642_6pv1 1 251 1 . . 1 1 20 20 LEU HG H . . . 1 1 20 20 LEU HA H . . . . . 2.803 1.821 3.785 . . . . . A . 20 LEU HG . . A . 20 LEU HA . . . 20 . HG . . . . . 20 . HA . . c30642_6pv1 1 252 1 OR . 1 1 22 22 ARG HD3 H . . . 1 1 22 22 ARG HG2 H . . . . . 2.807 1.822 3.792 . . . . . A . 22 ARG HD3 . . A . 22 ARG HG2 . . . 22 . HD2 . . . . . 22 . HG1 . . c30642_6pv1 1 252 2 OR . 1 1 22 22 ARG HD3 H . . . 1 1 22 22 ARG HG3 H . . . . . 2.807 1.822 3.792 . . . . . A . 22 ARG HD3 . . A . 22 ARG HG3 . . . 22 . HD2 . . . . . 22 . HG2 . . c30642_6pv1 1 253 1 . . 1 1 12 12 LYS H H . . . 1 1 5 5 CYS HB3 H . . . . . 2.811 1.823 3.799 . . . . . A . 12 LYS H . . A . 5 CYS HB3 . . . 12 . HN . . . . . 5 . HB2 . . c30642_6pv1 1 254 1 . . 1 1 1 1 ARG HA H . . . 1 1 2 2 PRO HD2 H . . . . . 2.811 1.823 3.799 . . . . . A . 1 ARG HA . . A . 2 PRO HD2 . . . 1 . HA . . . . . 2 . HD1 . . c30642_6pv1 1 255 1 . . 1 1 20 20 LEU MD2 H . . . 1 1 4 4 NLE H H . . . . . 2.815 1.825 3.805 . . . . . A . 20 LEU MD2 . . A . 4 NLE H . . . 20 . HD21 . . . . . 4 . HN . . c30642_6pv1 1 256 1 OR . 1 1 25 25 ARG HD2 H . . . 1 1 22 22 ARG HA H . . . . . 2.822 1.826 3.818 . . . . . A . 25 ARG HD2 . . A . 22 ARG HA . . . 25 . HD1 . . . . . 22 . HA . . c30642_6pv1 1 256 2 OR . 1 1 25 25 ARG HD3 H . . . 1 1 22 22 ARG HA H . . . . . 2.822 1.826 3.818 . . . . . A . 25 ARG HD3 . . A . 22 ARG HA . . . 25 . HD2 . . . . . 22 . HA . . c30642_6pv1 1 257 1 . . 1 1 12 12 LYS H H . . . 1 1 11 11 GLY H H . . . . . 2.826 1.828 3.824 . . . . . A . 12 LYS H . . A . 11 GLY H . . . 12 . HN . . . . . 11 . HN . . c30642_6pv1 1 258 1 . . 1 1 13 13 ARG H H . . . 1 1 13 13 ARG HA H . . . . . 2.830 1.829 3.831 . . . . . A . 13 ARG H . . A . 13 ARG HA . . . 13 . HN . . . . . 13 . HA . . c30642_6pv1 1 259 1 . . 1 1 23 23 HIS H H . . . 1 1 23 23 HIS HA H . . . . . 2.830 1.829 3.831 . . . . . A . 23 HIS H . . A . 23 HIS HA . . . 23 . HN . . . . . 23 . HA . . c30642_6pv1 1 260 1 . . 1 1 27 27 HIS HD2 H . . . 1 1 27 27 HIS HB2 H . . . . . 2.838 1.831 3.845 . . . . . A . 27 HIS HD2 . . A . 27 HIS HB2 . . . 27 . HD2 . . . . . 27 . HB1 . . c30642_6pv1 1 261 1 OR . 1 1 12 12 LYS H H . . . 1 1 12 12 LYS HD2 H . . . . . 2.842 1.832 3.852 . . . . . A . 12 LYS H . . A . 12 LYS HD2 . . . 12 . HN . . . . . 12 . HD1 . . c30642_6pv1 1 261 2 OR . 1 1 12 12 LYS H H . . . 1 1 12 12 LYS HD3 H . . . . . 2.842 1.832 3.852 . . . . . A . 12 LYS H . . A . 12 LYS HD3 . . . 12 . HN . . . . . 12 . HD2 . . c30642_6pv1 1 262 1 OR . 1 1 1 1 ARG HB2 H . . . 1 1 2 2 PRO HD2 H . . . . . 2.842 1.832 3.852 . . . . . A . 1 ARG HB2 . . A . 2 PRO HD2 . . . 1 . HB1 . . . . . 2 . HD1 . . c30642_6pv1 1 262 2 OR . 1 1 1 1 ARG HB3 H . . . 1 1 2 2 PRO HD2 H . . . . . 2.842 1.832 3.852 . . . . . A . 1 ARG HB3 . . A . 2 PRO HD2 . . . 1 . HB2 . . . . . 2 . HD1 . . c30642_6pv1 1 263 1 . . 1 1 19 19 GLU HB2 H . . . 1 1 20 20 LEU H H . . . . . 2.850 1.835 3.865 . . . . . A . 19 GLU HB2 . . A . 20 LEU H . . . 19 . HB1 . . . . . 20 . HN . . c30642_6pv1 1 264 1 OR . 1 1 24 24 LYS H H . . . 1 1 24 24 LYS HG2 H . . . . . 2.850 1.835 3.865 . . . . . A . 24 LYS H . . A . 24 LYS HG2 . . . 24 . HN . . . . . 24 . HG1 . . c30642_6pv1 1 264 2 OR . 1 1 24 24 LYS H H . . . 1 1 24 24 LYS HG3 H . . . . . 2.850 1.835 3.865 . . . . . A . 24 LYS H . . A . 24 LYS HG3 . . . 24 . HN . . . . . 24 . HG2 . . c30642_6pv1 1 265 1 . . 1 1 28 28 THR H H . . . 1 1 27 27 HIS HB3 H . . . . . 2.854 1.836 3.872 . . . . . A . 28 THR H . . A . 27 HIS HB3 . . . 28 . HN . . . . . 27 . HB2 . . c30642_6pv1 1 266 1 . . 1 1 27 27 HIS HB2 H . . . 1 1 27 27 HIS H H . . . . . 2.859 1.838 3.880 . . . . . A . 27 HIS HB2 . . A . 27 HIS H . . . 27 . HB1 . . . . . 27 . HN . . c30642_6pv1 1 267 1 . . 1 1 11 11 GLY HA2 H . . . 1 1 4 4 NLE HE1 H . . . . . 2.859 1.838 3.880 . . . . . A . 11 GLY HA2 . . A . 4 NLE HE1 . . . 11 . HA1 . . . . . 4 . HE1 . . c30642_6pv1 1 268 1 . . 1 1 2 2 PRO HG3 H . . . 1 1 2 2 PRO HD2 H . . . . . 2.859 1.838 3.880 . . . . . A . 2 PRO HG3 . . A . 2 PRO HD2 . . . 2 . HG2 . . . . . 2 . HD1 . . c30642_6pv1 1 269 1 OR . 1 1 14 14 PHE HZ H . . . 1 1 12 12 LYS HD2 H . . . . . 2.859 1.838 3.880 . . . . . A . 14 PHE HZ . . A . 12 LYS HD2 . . . 14 . HZ . . . . . 12 . HD1 . . c30642_6pv1 1 269 2 OR . 1 1 14 14 PHE HZ H . . . 1 1 12 12 LYS HD3 H . . . . . 2.859 1.838 3.880 . . . . . A . 14 PHE HZ . . A . 12 LYS HD3 . . . 14 . HZ . . . . . 12 . HD2 . . c30642_6pv1 1 270 1 . . 1 1 19 19 GLU HB2 H . . . 1 1 16 16 ARG H H . . . . . 2.863 1.839 3.887 . . . . . A . 19 GLU HB2 . . A . 16 ARG H . . . 19 . HB1 . . . . . 16 . HN . . c30642_6pv1 1 271 1 . . 1 1 2 2 PRO HD3 H . . . 1 1 2 2 PRO HG2 H . . . . . 2.863 1.839 3.887 . . . . . A . 2 PRO HD3 . . A . 2 PRO HG2 . . . 2 . HD2 . . . . . 2 . HG1 . . c30642_6pv1 1 272 1 . . 1 1 27 27 HIS HD2 H . . . 1 1 7 7 TRP HB3 H . . . . . 2.863 1.839 3.887 . . . . . A . 27 HIS HD2 . . A . 7 TRP HB3 . . . 27 . HD2 . . . . . 7 . HB2 . . c30642_6pv1 1 273 1 . . 1 1 20 20 LEU MD2 H . . . 1 1 3 3 PHE HB2 H . . . . . 2.871 1.840 3.902 . . . . . A . 20 LEU MD2 . . A . 3 PHE HB2 . . . 20 . HD21 . . . . . 3 . HB1 . . c30642_6pv1 1 274 1 OR . 1 1 19 19 GLU HG2 H . . . 1 1 14 14 PHE HB3 H . . . . . 2.871 1.840 3.902 . . . . . A . 19 GLU HG2 . . A . 14 PHE HB3 . . . 19 . HG1 . . . . . 14 . HB2 . . c30642_6pv1 1 274 2 OR . 1 1 19 19 GLU HG3 H . . . 1 1 14 14 PHE HB3 H . . . . . 2.871 1.840 3.902 . . . . . A . 19 GLU HG3 . . A . 14 PHE HB3 . . . 19 . HG2 . . . . . 14 . HB2 . . c30642_6pv1 1 275 1 . . 1 1 10 10 CYS HB3 H . . . 1 1 27 27 HIS HE1 H . . . . . 2.876 1.842 3.910 . . . . . A . 10 CYS HB3 . . A . 27 HIS HE1 . . . 10 . HB2 . . . . . 27 . HE1 . . c30642_6pv1 1 276 1 . . 1 1 30 30 GLU H H . . . 1 1 30 30 GLU HB2 H . . . . . 2.880 1.843 3.917 . . . . . A . 30 GLU H . . A . 30 GLU HB2 . . . 30 . HN . . . . . 30 . HB1 . . c30642_6pv1 1 277 1 OR . 1 1 12 12 LYS HD2 H . . . 1 1 23 23 HIS HE1 H . . . . . 2.880 1.843 3.917 . . . . . A . 12 LYS HD2 . . A . 23 HIS HE1 . . . 12 . HD1 . . . . . 23 . HE1 . . c30642_6pv1 1 277 2 OR . 1 1 12 12 LYS HD3 H . . . 1 1 23 23 HIS HE1 H . . . . . 2.880 1.843 3.917 . . . . . A . 12 LYS HD3 . . A . 23 HIS HE1 . . . 12 . HD2 . . . . . 23 . HE1 . . c30642_6pv1 1 278 1 . . 1 1 14 14 PHE HB2 H . . . 1 1 16 16 ARG H H . . . . . 2.889 1.846 3.932 . . . . . A . 14 PHE HB2 . . A . 16 ARG H . . . 14 . HB1 . . . . . 16 . HN . . c30642_6pv1 1 279 1 OR . 1 1 13 13 ARG HD2 H . . . 1 1 13 13 ARG HE H . . . . . 2.894 1.847 3.941 . . . . . A . 13 ARG HD2 . . A . 13 ARG HE . . . 13 . HD1 . . . . . 13 . HE . . c30642_6pv1 1 279 2 OR . 1 1 13 13 ARG HD3 H . . . 1 1 13 13 ARG HE H . . . . . 2.894 1.847 3.941 . . . . . A . 13 ARG HD3 . . A . 13 ARG HE . . . 13 . HD2 . . . . . 13 . HE . . c30642_6pv1 1 280 1 . . 1 1 3 3 PHE H H . . . 1 1 2 2 PRO HB3 H . . . . . 2.898 1.848 3.948 . . . . . A . 3 PHE H . . A . 2 PRO HB3 . . . 3 . HN . . . . . 2 . HB2 . . c30642_6pv1 1 281 1 OR . 1 1 3 3 PHE HD2 H . . . 1 1 16 16 ARG H H . . . . . 2.898 1.848 3.948 . . . . . A . 3 PHE HD2 . . A . 16 ARG H . . . 3 . HD2 . . . . . 16 . HN . . c30642_6pv1 1 281 2 OR . 1 1 3 3 PHE HD1 H . . . 1 1 16 16 ARG H H . . . . . 2.898 1.848 3.948 . . . . . A . 3 PHE HD1 . . A . 16 ARG H . . . 3 . HD1 . . . . . 16 . HN . . c30642_6pv1 1 282 1 . . 1 1 13 13 ARG HG2 H . . . 1 1 13 13 ARG HA H . . . . . 2.908 1.851 3.965 . . . . . A . 13 ARG HG2 . . A . 13 ARG HA . . . 13 . HG1 . . . . . 13 . HA . . c30642_6pv1 1 283 1 . . 1 1 5 5 CYS H H . . . 1 1 5 5 CYS HA H . . . . . 2.913 1.853 3.973 . . . . . A . 5 CYS H . . A . 5 CYS HA . . . 5 . HN . . . . . 5 . HA . . c30642_6pv1 1 284 1 . . 1 1 19 19 GLU HB2 H . . . 1 1 14 14 PHE HB2 H . . . . . 2.913 1.853 3.973 . . . . . A . 19 GLU HB2 . . A . 14 PHE HB2 . . . 19 . HB1 . . . . . 14 . HB1 . . c30642_6pv1 1 285 1 . . 1 1 12 12 LYS H H . . . 1 1 12 12 LYS HG3 H . . . . . 2.922 1.855 3.989 . . . . . A . 12 LYS H . . A . 12 LYS HG3 . . . 12 . HN . . . . . 12 . HG2 . . c30642_6pv1 1 286 1 . . 1 1 11 11 GLY H H . . . 1 1 10 10 CYS HA H . . . . . 2.924 1.855 3.993 . . . . . A . 11 GLY H . . A . 10 CYS HA . . . 11 . HN . . . . . 10 . HA . . c30642_6pv1 1 287 1 OR . 1 1 14 14 PHE HE2 H . . . 1 1 5 5 CYS HB3 H . . . . . 2.933 1.858 4.008 . . . . . A . 14 PHE HE2 . . A . 5 CYS HB3 . . . 14 . HE2 . . . . . 5 . HB2 . . c30642_6pv1 1 287 2 OR . 1 1 14 14 PHE HE1 H . . . 1 1 5 5 CYS HB3 H . . . . . 2.933 1.858 4.008 . . . . . A . 14 PHE HE1 . . A . 5 CYS HB3 . . . 14 . HE1 . . . . . 5 . HB2 . . c30642_6pv1 1 288 1 OR . 1 1 3 3 PHE HD2 H . . . 1 1 15 15 THR HA H . . . . . 2.935 1.858 4.012 . . . . . A . 3 PHE HD2 . . A . 15 THR HA . . . 3 . HD2 . . . . . 15 . HA . . c30642_6pv1 1 288 2 OR . 1 1 3 3 PHE HD1 H . . . 1 1 15 15 THR HA H . . . . . 2.935 1.858 4.012 . . . . . A . 3 PHE HD1 . . A . 15 THR HA . . . 3 . HD1 . . . . . 15 . HA . . c30642_6pv1 1 289 1 . . 1 1 3 3 PHE HB2 H . . . 1 1 14 14 PHE H H . . . . . 2.938 1.859 4.017 . . . . . A . 3 PHE HB2 . . A . 14 PHE H . . . 3 . HB1 . . . . . 14 . HN . . c30642_6pv1 1 290 1 OR . 1 1 24 24 LYS HA H . . . 1 1 24 24 LYS HG2 H . . . . . 2.940 1.860 4.020 . . . . . A . 24 LYS HA . . A . 24 LYS HG2 . . . 24 . HA . . . . . 24 . HG1 . . c30642_6pv1 1 290 2 OR . 1 1 24 24 LYS HA H . . . 1 1 24 24 LYS HG3 H . . . . . 2.940 1.860 4.020 . . . . . A . 24 LYS HA . . A . 24 LYS HG3 . . . 24 . HA . . . . . 24 . HG2 . . c30642_6pv1 1 291 1 . . 1 1 31 31 LYS H H . . . 1 1 31 31 LYS HB2 H . . . . . 2.942 1.860 4.024 . . . . . A . 31 LYS H . . A . 31 LYS HB2 . . . 31 . HN . . . . . 31 . HB1 . . c30642_6pv1 1 292 1 . . 1 1 26 26 THR HA H . . . 1 1 27 27 HIS H H . . . . . 2.947 1.862 4.032 . . . . . A . 26 THR HA . . A . 27 HIS H . . . 26 . HA . . . . . 27 . HN . . c30642_6pv1 1 293 1 . . 1 1 3 3 PHE HA H . . . 1 1 3 3 PHE H H . . . . . 2.947 1.861 4.033 . . . . . A . 3 PHE HA . . A . 3 PHE H . . . 3 . HA . . . . . 3 . HN . . c30642_6pv1 1 294 1 . . 1 1 21 21 GLN HA H . . . 1 1 24 24 LYS H H . . . . . 2.951 1.863 4.039 . . . . . A . 21 GLN HA . . A . 24 LYS H . . . 21 . HA . . . . . 24 . HN . . c30642_6pv1 1 295 1 . . 1 1 4 4 NLE HA H . . . 1 1 13 13 ARG HG3 H . . . . . 2.956 1.864 4.048 . . . . . A . 4 NLE HA . . A . 13 ARG HG3 . . . 4 . HA . . . . . 13 . HG2 . . c30642_6pv1 1 296 1 . . 1 1 7 7 TRP H H . . . 1 1 6 6 THR HA H . . . . . 2.957 1.864 4.050 . . . . . A . 7 TRP H . . A . 6 THR HA . . . 7 . HN . . . . . 6 . HA . . c30642_6pv1 1 297 1 . . 1 1 18 18 ASP HA H . . . 1 1 19 19 GLU H H . . . . . 2.969 1.867 4.071 . . . . . A . 18 ASP HA . . A . 19 GLU H . . . 18 . HA . . . . . 19 . HN . . c30642_6pv1 1 298 1 . . 1 1 11 11 GLY HA3 H . . . 1 1 4 4 NLE HE1 H . . . . . 2.971 1.868 4.074 . . . . . A . 11 GLY HA3 . . A . 4 NLE HE1 . . . 11 . HA2 . . . . . 4 . HE1 . . c30642_6pv1 1 299 1 . . 1 1 4 4 NLE HG3 H . . . 1 1 4 4 NLE HA H . . . . . 2.973 1.868 4.078 . . . . . A . 4 NLE HG3 . . A . 4 NLE HA . . . 4 . HG2 . . . . . 4 . HA . . c30642_6pv1 1 300 1 . . 1 1 15 15 THR HB H . . . 1 1 16 16 ARG H H . . . . . 2.977 1.869 4.085 . . . . . A . 15 THR HB . . A . 16 ARG H . . . 15 . HB . . . . . 16 . HN . . c30642_6pv1 1 301 1 OR . 1 1 20 20 LEU HA H . . . 1 1 14 14 PHE HE2 H . . . . . 2.977 1.869 4.085 . . . . . A . 20 LEU HA . . A . 14 PHE HE2 . . . 20 . HA . . . . . 14 . HE2 . . c30642_6pv1 1 301 2 OR . 1 1 20 20 LEU HA H . . . 1 1 14 14 PHE HE1 H . . . . . 2.977 1.869 4.085 . . . . . A . 20 LEU HA . . A . 14 PHE HE1 . . . 20 . HA . . . . . 14 . HE1 . . c30642_6pv1 1 302 1 . . 1 1 4 4 NLE HG2 H . . . 1 1 4 4 NLE HA H . . . . . 2.978 1.869 4.087 . . . . . A . 4 NLE HG2 . . A . 4 NLE HA . . . 4 . HG1 . . . . . 4 . HA . . c30642_6pv1 1 303 1 . . 1 1 21 21 GLN H H . . . 1 1 18 18 ASP HA H . . . . . 2.978 1.869 4.087 . . . . . A . 21 GLN H . . A . 18 ASP HA . . . 21 . HN . . . . . 18 . HA . . c30642_6pv1 1 304 1 . . 1 1 28 28 THR H H . . . 1 1 29 29 GLY H H . . . . . 2.979 1.870 4.088 . . . . . A . 28 THR H . . A . 29 GLY H . . . 28 . HN . . . . . 29 . HN . . c30642_6pv1 1 305 1 . . 1 1 10 10 CYS HB3 H . . . 1 1 7 7 TRP H H . . . . . 2.982 1.870 4.094 . . . . . A . 10 CYS HB3 . . A . 7 TRP H . . . 10 . HB2 . . . . . 7 . HN . . c30642_6pv1 1 306 1 OR . 1 1 21 21 GLN HA H . . . 1 1 24 24 LYS HG2 H . . . . . 2.986 1.871 4.101 . . . . . A . 21 GLN HA . . A . 24 LYS HG2 . . . 21 . HA . . . . . 24 . HG1 . . c30642_6pv1 1 306 2 OR . 1 1 21 21 GLN HA H . . . 1 1 24 24 LYS HG3 H . . . . . 2.986 1.871 4.101 . . . . . A . 21 GLN HA . . A . 24 LYS HG3 . . . 21 . HA . . . . . 24 . HG2 . . c30642_6pv1 1 307 1 . . 1 1 3 3 PHE HB3 H . . . 1 1 14 14 PHE HB2 H . . . . . 2.987 1.872 4.102 . . . . . A . 3 PHE HB3 . . A . 14 PHE HB2 . . . 3 . HB2 . . . . . 14 . HB1 . . c30642_6pv1 1 308 1 . . 1 1 21 21 GLN HA H . . . 1 1 20 20 LEU HG H . . . . . 2.992 1.873 4.111 . . . . . A . 21 GLN HA . . A . 20 LEU HG . . . 21 . HA . . . . . 20 . HG . . c30642_6pv1 1 309 1 . . 1 1 14 14 PHE H H . . . 1 1 14 14 PHE HA H . . . . . 2.992 1.873 4.111 . . . . . A . 14 PHE H . . A . 14 PHE HA . . . 14 . HN . . . . . 14 . HA . . c30642_6pv1 1 310 1 . . 1 1 14 14 PHE HB3 H . . . 1 1 14 14 PHE H H . . . . . 2.992 1.873 4.111 . . . . . A . 14 PHE HB3 . . A . 14 PHE H . . . 14 . HB2 . . . . . 14 . HN . . c30642_6pv1 1 311 1 . . 1 1 7 7 TRP HD1 H . . . 1 1 7 7 TRP HB3 H . . . . . 2.999 1.875 4.123 . . . . . A . 7 TRP HD1 . . A . 7 TRP HB3 . . . 7 . HD1 . . . . . 7 . HB2 . . c30642_6pv1 1 312 1 OR . 1 1 3 3 PHE HD2 H . . . 1 1 16 16 ARG HA H . . . . . 3.000 1.875 4.125 . . . . . A . 3 PHE HD2 . . A . 16 ARG HA . . . 3 . HD2 . . . . . 16 . HA . . c30642_6pv1 1 312 2 OR . 1 1 3 3 PHE HD1 H . . . 1 1 16 16 ARG HA H . . . . . 3.000 1.875 4.125 . . . . . A . 3 PHE HD1 . . A . 16 ARG HA . . . 3 . HD1 . . . . . 16 . HA . . c30642_6pv1 1 313 1 . . 1 1 20 20 LEU MD1 H . . . 1 1 5 5 CYS HB3 H . . . . . 3.005 1.877 4.133 . . . . . A . 20 LEU MD1 . . A . 5 CYS HB3 . . . 20 . HD11 . . . . . 5 . HB2 . . c30642_6pv1 1 314 1 . . 1 1 20 20 LEU HA H . . . 1 1 23 23 HIS H H . . . . . 3.005 1.877 4.133 . . . . . A . 20 LEU HA . . A . 23 HIS H . . . 20 . HA . . . . . 23 . HN . . c30642_6pv1 1 315 1 . . 1 1 27 27 HIS HD2 H . . . 1 1 7 7 TRP HB2 H . . . . . 3.008 1.877 4.139 . . . . . A . 27 HIS HD2 . . A . 7 TRP HB2 . . . 27 . HD2 . . . . . 7 . HB1 . . c30642_6pv1 1 316 1 . . 1 1 23 23 HIS HB3 H . . . 1 1 20 20 LEU MD1 H . . . . . 3.008 1.877 4.139 . . . . . A . 23 HIS HB3 . . A . 20 LEU MD1 . . . 23 . HB2 . . . . . 20 . HD11 . . c30642_6pv1 1 317 1 . . 1 1 30 30 GLU HB3 H . . . 1 1 30 30 GLU H H . . . . . 3.012 1.878 4.146 . . . . . A . 30 GLU HB3 . . A . 30 GLU H . . . 30 . HB2 . . . . . 30 . HN . . c30642_6pv1 1 318 1 . . 1 1 7 7 TRP HZ3 H . . . 1 1 28 28 THR MG H . . . . . 3.015 1.879 4.151 . . . . . A . 7 TRP HZ3 . . A . 28 THR MG . . . 7 . HZ3 . . . . . 28 . HG21 . . c30642_6pv1 1 319 1 . . 1 1 26 26 THR H H . . . 1 1 25 25 ARG HA H . . . . . 3.015 1.879 4.151 . . . . . A . 26 THR H . . A . 25 ARG HA . . . 26 . HN . . . . . 25 . HA . . c30642_6pv1 1 320 1 . . 1 1 19 19 GLU H H . . . 1 1 20 20 LEU H H . . . . . 3.018 1.880 4.156 . . . . . A . 19 GLU H . . A . 20 LEU H . . . 19 . HN . . . . . 20 . HN . . c30642_6pv1 1 321 1 . . 1 1 10 10 CYS HB3 H . . . 1 1 7 7 TRP HD1 H . . . . . 3.025 1.881 4.169 . . . . . A . 10 CYS HB3 . . A . 7 TRP HD1 . . . 10 . HB2 . . . . . 7 . HD1 . . c30642_6pv1 1 322 1 OR . 1 1 25 25 ARG HD2 H . . . 1 1 25 25 ARG HA H . . . . . 3.029 1.882 4.176 . . . . . A . 25 ARG HD2 . . A . 25 ARG HA . . . 25 . HD1 . . . . . 25 . HA . . c30642_6pv1 1 322 2 OR . 1 1 25 25 ARG HD3 H . . . 1 1 25 25 ARG HA H . . . . . 3.029 1.882 4.176 . . . . . A . 25 ARG HD3 . . A . 25 ARG HA . . . 25 . HD2 . . . . . 25 . HA . . c30642_6pv1 1 323 1 . . 1 1 30 30 GLU HA H . . . 1 1 30 30 GLU HB2 H . . . . . 3.029 1.882 4.176 . . . . . A . 30 GLU HA . . A . 30 GLU HB2 . . . 30 . HA . . . . . 30 . HB1 . . c30642_6pv1 1 324 1 . . 1 1 5 5 CYS H H . . . 1 1 13 13 ARG HA H . . . . . 3.030 1.883 4.177 . . . . . A . 5 CYS H . . A . 13 ARG HA . . . 5 . HN . . . . . 13 . HA . . c30642_6pv1 1 325 1 . . 1 1 5 5 CYS HB3 H . . . 1 1 11 11 GLY H H . . . . . 3.034 1.884 4.184 . . . . . A . 5 CYS HB3 . . A . 11 GLY H . . . 5 . HB2 . . . . . 11 . HN . . c30642_6pv1 1 326 1 . . 1 1 28 28 THR H H . . . 1 1 25 25 ARG HA H . . . . . 3.035 1.884 4.186 . . . . . A . 28 THR H . . A . 25 ARG HA . . . 28 . HN . . . . . 25 . HA . . c30642_6pv1 1 327 1 . . 1 1 18 18 ASP HA H . . . 1 1 18 18 ASP H H . . . . . 3.037 1.884 4.190 . . . . . A . 18 ASP HA . . A . 18 ASP H . . . 18 . HA . . . . . 18 . HN . . c30642_6pv1 1 328 1 . . 1 1 20 20 LEU H H . . . 1 1 19 19 GLU HB3 H . . . . . 3.049 1.887 4.211 . . . . . A . 20 LEU H . . A . 19 GLU HB3 . . . 20 . HN . . . . . 19 . HB2 . . c30642_6pv1 1 329 1 . . 1 1 17 17 SER HA H . . . 1 1 20 20 LEU H H . . . . . 3.055 1.888 4.222 . . . . . A . 17 SER HA . . A . 20 LEU H . . . 17 . HA . . . . . 20 . HN . . c30642_6pv1 1 330 1 . . 1 1 4 4 NLE HG3 H . . . 1 1 5 5 CYS H H . . . . . 3.055 1.888 4.222 . . . . . A . 4 NLE HG3 . . A . 5 CYS H . . . 4 . HG2 . . . . . 5 . HN . . c30642_6pv1 1 331 1 . . 1 1 23 23 HIS HA H . . . 1 1 24 24 LYS H H . . . . . 3.059 1.889 4.229 . . . . . A . 23 HIS HA . . A . 24 LYS H . . . 23 . HA . . . . . 24 . HN . . c30642_6pv1 1 332 1 . . 1 1 15 15 THR H H . . . 1 1 16 16 ARG H H . . . . . 3.062 1.890 4.234 . . . . . A . 15 THR H . . A . 16 ARG H . . . 15 . HN . . . . . 16 . HN . . c30642_6pv1 1 333 1 . . 1 1 7 7 TRP HD1 H . . . 1 1 27 27 HIS HE1 H . . . . . 3.067 1.891 4.243 . . . . . A . 7 TRP HD1 . . A . 27 HIS HE1 . . . 7 . HD1 . . . . . 27 . HE1 . . c30642_6pv1 1 334 1 OR . 1 1 17 17 SER HB3 H . . . 1 1 3 3 PHE HE2 H . . . . . 3.068 1.892 4.244 . . . . . A . 17 SER HB3 . . A . 3 PHE HE2 . . . 17 . HB2 . . . . . 3 . HE2 . . c30642_6pv1 1 334 2 OR . 1 1 17 17 SER HB3 H . . . 1 1 3 3 PHE HE1 H . . . . . 3.068 1.892 4.244 . . . . . A . 17 SER HB3 . . A . 3 PHE HE1 . . . 17 . HB2 . . . . . 3 . HE1 . . c30642_6pv1 1 335 1 . . 1 1 3 3 PHE HB2 H . . . 1 1 14 14 PHE HB3 H . . . . . 3.072 1.892 4.252 . . . . . A . 3 PHE HB2 . . A . 14 PHE HB3 . . . 3 . HB1 . . . . . 14 . HB2 . . c30642_6pv1 1 336 1 . . 1 1 20 20 LEU MD2 H . . . 1 1 3 3 PHE HA H . . . . . 3.073 1.893 4.253 . . . . . A . 20 LEU MD2 . . A . 3 PHE HA . . . 20 . HD21 . . . . . 3 . HA . . c30642_6pv1 1 337 1 OR . 1 1 14 14 PHE HZ H . . . 1 1 14 14 PHE HD2 H . . . . . 3.074 1.893 4.255 . . . . . A . 14 PHE HZ . . A . 14 PHE HD2 . . . 14 . HZ . . . . . 14 . HD2 . . c30642_6pv1 1 337 2 OR . 1 1 14 14 PHE HZ H . . . 1 1 14 14 PHE HD1 H . . . . . 3.074 1.893 4.255 . . . . . A . 14 PHE HZ . . A . 14 PHE HD1 . . . 14 . HZ . . . . . 14 . HD1 . . c30642_6pv1 1 338 1 . . 1 1 21 21 GLN H H . . . 1 1 20 20 LEU HB2 H . . . . . 3.074 1.893 4.255 . . . . . A . 21 GLN H . . A . 20 LEU HB2 . . . 21 . HN . . . . . 20 . HB1 . . c30642_6pv1 1 339 1 . . 1 1 14 14 PHE H H . . . 1 1 4 4 NLE HA H . . . . . 3.074 1.892 4.256 . . . . . A . 14 PHE H . . A . 4 NLE HA . . . 14 . HN . . . . . 4 . HA . . c30642_6pv1 1 340 1 . . 1 1 14 14 PHE HB3 H . . . 1 1 15 15 THR HA H . . . . . 3.074 1.892 4.256 . . . . . A . 14 PHE HB3 . . A . 15 THR HA . . . 14 . HB2 . . . . . 15 . HA . . c30642_6pv1 1 341 1 . . 1 1 16 16 ARG H H . . . 1 1 15 15 THR HA H . . . . . 3.075 1.893 4.257 . . . . . A . 16 ARG H . . A . 15 THR HA . . . 16 . HN . . . . . 15 . HA . . c30642_6pv1 1 342 1 . . 1 1 6 6 THR HA H . . . 1 1 11 11 GLY H H . . . . . 3.078 1.894 4.262 . . . . . A . 6 THR HA . . A . 11 GLY H . . . 6 . HA . . . . . 11 . HN . . c30642_6pv1 1 343 1 . . 1 1 28 28 THR H H . . . 1 1 28 28 THR HB H . . . . . 3.079 1.894 4.264 . . . . . A . 28 THR H . . A . 28 THR HB . . . 28 . HN . . . . . 28 . HB . . c30642_6pv1 1 344 1 . . 1 1 18 18 ASP HB3 H . . . 1 1 18 18 ASP H H . . . . . 3.079 1.894 4.264 . . . . . A . 18 ASP HB3 . . A . 18 ASP H . . . 18 . HB2 . . . . . 18 . HN . . c30642_6pv1 1 345 1 OR . 1 1 18 18 ASP HA H . . . 1 1 21 21 GLN HG2 H . . . . . 3.079 1.894 4.264 . . . . . A . 18 ASP HA . . A . 21 GLN HG2 . . . 18 . HA . . . . . 21 . HG1 . . c30642_6pv1 1 345 2 OR . 1 1 18 18 ASP HA H . . . 1 1 21 21 GLN HG3 H . . . . . 3.079 1.894 4.264 . . . . . A . 18 ASP HA . . A . 21 GLN HG3 . . . 18 . HA . . . . . 21 . HG2 . . c30642_6pv1 1 346 1 OR . 1 1 19 19 GLU H H . . . 1 1 16 16 ARG HB2 H . . . . . 3.083 1.895 4.271 . . . . . A . 19 GLU H . . A . 16 ARG HB2 . . . 19 . HN . . . . . 16 . HB1 . . c30642_6pv1 1 346 2 OR . 1 1 19 19 GLU H H . . . 1 1 16 16 ARG HB3 H . . . . . 3.083 1.895 4.271 . . . . . A . 19 GLU H . . A . 16 ARG HB3 . . . 19 . HN . . . . . 16 . HB2 . . c30642_6pv1 1 347 1 . . 1 1 15 15 THR H H . . . 1 1 15 15 THR HA H . . . . . 3.085 1.895 4.275 . . . . . A . 15 THR H . . A . 15 THR HA . . . 15 . HN . . . . . 15 . HA . . c30642_6pv1 1 348 1 . . 1 1 4 4 NLE HG3 H . . . 1 1 11 11 GLY HA2 H . . . . . 3.090 1.896 4.284 . . . . . A . 4 NLE HG3 . . A . 11 GLY HA2 . . . 4 . HG2 . . . . . 11 . HA1 . . c30642_6pv1 1 349 1 . . 1 1 24 24 LYS HA H . . . 1 1 27 27 HIS H H . . . . . 3.092 1.897 4.287 . . . . . A . 24 LYS HA . . A . 27 HIS H . . . 24 . HA . . . . . 27 . HN . . c30642_6pv1 1 350 1 . . 1 1 3 3 PHE HB3 H . . . 1 1 4 4 NLE H H . . . . . 3.093 1.897 4.289 . . . . . A . 3 PHE HB3 . . A . 4 NLE H . . . 3 . HB2 . . . . . 4 . HN . . c30642_6pv1 1 351 1 . . 1 1 3 3 PHE HB3 H . . . 1 1 3 3 PHE H H . . . . . 3.098 1.899 4.297 . . . . . A . 3 PHE HB3 . . A . 3 PHE H . . . 3 . HB2 . . . . . 3 . HN . . c30642_6pv1 1 352 1 . . 1 1 19 19 GLU HB3 H . . . 1 1 16 16 ARG H H . . . . . 3.098 1.899 4.297 . . . . . A . 19 GLU HB3 . . A . 16 ARG H . . . 19 . HB2 . . . . . 16 . HN . . c30642_6pv1 1 353 1 OR . 1 1 16 16 ARG HD2 H . . . 1 1 16 16 ARG HB2 H . . . . . 3.100 1.899 4.301 . . . . . A . 16 ARG HD2 . . A . 16 ARG HB2 . . . 16 . HD1 . . . . . 16 . HB1 . . c30642_6pv1 1 353 2 OR . 1 1 16 16 ARG HD2 H . . . 1 1 16 16 ARG HB3 H . . . . . 3.100 1.899 4.301 . . . . . A . 16 ARG HD2 . . A . 16 ARG HB3 . . . 16 . HD1 . . . . . 16 . HB2 . . c30642_6pv1 1 354 1 . . 1 1 17 17 SER HA H . . . 1 1 17 17 SER H H . . . . . 3.101 1.899 4.303 . . . . . A . 17 SER HA . . A . 17 SER H . . . 17 . HA . . . . . 17 . HN . . c30642_6pv1 1 355 1 . . 1 1 19 19 GLU HA H . . . 1 1 20 20 LEU H H . . . . . 3.116 1.903 4.329 . . . . . A . 19 GLU HA . . A . 20 LEU H . . . 19 . HA . . . . . 20 . HN . . c30642_6pv1 1 356 1 OR . 1 1 16 16 ARG HD3 H . . . 1 1 16 16 ARG HB2 H . . . . . 3.116 1.903 4.329 . . . . . A . 16 ARG HD3 . . A . 16 ARG HB2 . . . 16 . HD2 . . . . . 16 . HB1 . . c30642_6pv1 1 356 2 OR . 1 1 16 16 ARG HD3 H . . . 1 1 16 16 ARG HB3 H . . . . . 3.116 1.903 4.329 . . . . . A . 16 ARG HD3 . . A . 16 ARG HB3 . . . 16 . HD2 . . . . . 16 . HB2 . . c30642_6pv1 1 357 1 OR . 1 1 17 17 SER HB2 H . . . 1 1 3 3 PHE HE2 H . . . . . 3.127 1.904 4.350 . . . . . A . 17 SER HB2 . . A . 3 PHE HE2 . . . 17 . HB1 . . . . . 3 . HE2 . . c30642_6pv1 1 357 2 OR . 1 1 17 17 SER HB2 H . . . 1 1 3 3 PHE HE1 H . . . . . 3.127 1.904 4.350 . . . . . A . 17 SER HB2 . . A . 3 PHE HE1 . . . 17 . HB1 . . . . . 3 . HE1 . . c30642_6pv1 1 358 1 . . 1 1 24 24 LYS H H . . . 1 1 23 23 HIS HB2 H . . . . . 3.132 1.906 4.358 . . . . . A . 24 LYS H . . A . 23 HIS HB2 . . . 24 . HN . . . . . 23 . HB1 . . c30642_6pv1 1 359 1 . . 1 1 15 15 THR H H . . . 1 1 14 14 PHE HB3 H . . . . . 3.137 1.907 4.367 . . . . . A . 15 THR H . . A . 14 PHE HB3 . . . 15 . HN . . . . . 14 . HB2 . . c30642_6pv1 1 360 1 . . 1 1 20 20 LEU H H . . . 1 1 14 14 PHE HB2 H . . . . . 3.140 1.907 4.373 . . . . . A . 20 LEU H . . A . 14 PHE HB2 . . . 20 . HN . . . . . 14 . HB1 . . c30642_6pv1 1 361 1 . . 1 1 15 15 THR HB H . . . 1 1 16 16 ARG HG3 H . . . . . 3.143 1.908 4.378 . . . . . A . 15 THR HB . . A . 16 ARG HG3 . . . 15 . HB . . . . . 16 . HG2 . . c30642_6pv1 1 362 1 OR . 1 1 1 1 ARG HB2 H . . . 1 1 2 2 PRO HD3 H . . . . . 3.146 1.909 4.383 . . . . . A . 1 ARG HB2 . . A . 2 PRO HD3 . . . 1 . HB1 . . . . . 2 . HD2 . . c30642_6pv1 1 362 2 OR . 1 1 1 1 ARG HB3 H . . . 1 1 2 2 PRO HD3 H . . . . . 3.146 1.909 4.383 . . . . . A . 1 ARG HB3 . . A . 2 PRO HD3 . . . 1 . HB2 . . . . . 2 . HD2 . . c30642_6pv1 1 363 1 . . 1 1 17 17 SER HB2 H . . . 1 1 17 17 SER H H . . . . . 3.154 1.910 4.398 . . . . . A . 17 SER HB2 . . A . 17 SER H . . . 17 . HB1 . . . . . 17 . HN . . c30642_6pv1 1 364 1 . . 1 1 19 19 GLU H H . . . 1 1 18 18 ASP HB2 H . . . . . 3.154 1.910 4.398 . . . . . A . 19 GLU H . . A . 18 ASP HB2 . . . 19 . HN . . . . . 18 . HB1 . . c30642_6pv1 1 365 1 . . 1 1 25 25 ARG HA H . . . 1 1 27 27 HIS H H . . . . . 3.156 1.911 4.401 . . . . . A . 25 ARG HA . . A . 27 HIS H . . . 25 . HA . . . . . 27 . HN . . c30642_6pv1 1 366 1 . . 1 1 23 23 HIS HD2 H . . . 1 1 23 23 HIS HB2 H . . . . . 3.158 1.911 4.405 . . . . . A . 23 HIS HD2 . . A . 23 HIS HB2 . . . 23 . HD2 . . . . . 23 . HB1 . . c30642_6pv1 1 367 1 OR . 1 1 14 14 PHE HE2 H . . . 1 1 23 23 HIS HB2 H . . . . . 3.166 1.913 4.419 . . . . . A . 14 PHE HE2 . . A . 23 HIS HB2 . . . 14 . HE2 . . . . . 23 . HB1 . . c30642_6pv1 1 367 2 OR . 1 1 14 14 PHE HE1 H . . . 1 1 23 23 HIS HB2 H . . . . . 3.166 1.913 4.419 . . . . . A . 14 PHE HE1 . . A . 23 HIS HB2 . . . 14 . HE1 . . . . . 23 . HB1 . . c30642_6pv1 1 368 1 . . 1 1 7 7 TRP HH2 H . . . 1 1 28 28 THR MG H . . . . . 3.170 1.914 4.426 . . . . . A . 7 TRP HH2 . . A . 28 THR MG . . . 7 . HH2 . . . . . 28 . HG21 . . c30642_6pv1 1 369 1 . . 1 1 26 26 THR HB H . . . 1 1 27 27 HIS H H . . . . . 3.179 1.916 4.442 . . . . . A . 26 THR HB . . A . 27 HIS H . . . 26 . HB . . . . . 27 . HN . . c30642_6pv1 1 370 1 OR . 1 1 24 24 LYS HD2 H . . . 1 1 27 27 HIS HD2 H . . . . . 3.192 1.918 4.466 . . . . . A . 24 LYS HD2 . . A . 27 HIS HD2 . . . 24 . HD1 . . . . . 27 . HD2 . . c30642_6pv1 1 370 2 OR . 1 1 24 24 LYS HD3 H . . . 1 1 27 27 HIS HD2 H . . . . . 3.192 1.918 4.466 . . . . . A . 24 LYS HD3 . . A . 27 HIS HD2 . . . 24 . HD2 . . . . . 27 . HD2 . . c30642_6pv1 1 371 1 . . 1 1 3 3 PHE H H . . . 1 1 2 2 PRO HB2 H . . . . . 3.196 1.920 4.472 . . . . . A . 3 PHE H . . A . 2 PRO HB2 . . . 3 . HN . . . . . 2 . HB1 . . c30642_6pv1 1 372 1 . . 1 1 19 19 GLU H H . . . 1 1 18 18 ASP HB3 H . . . . . 3.196 1.920 4.472 . . . . . A . 19 GLU H . . A . 18 ASP HB3 . . . 19 . HN . . . . . 18 . HB2 . . c30642_6pv1 1 373 1 OR . 1 1 30 30 GLU HG2 H . . . 1 1 30 30 GLU H H . . . . . 3.199 1.920 4.478 . . . . . A . 30 GLU HG2 . . A . 30 GLU H . . . 30 . HG1 . . . . . 30 . HN . . c30642_6pv1 1 373 2 OR . 1 1 30 30 GLU HG3 H . . . 1 1 30 30 GLU H H . . . . . 3.199 1.920 4.478 . . . . . A . 30 GLU HG3 . . A . 30 GLU H . . . 30 . HG2 . . . . . 30 . HN . . c30642_6pv1 1 374 1 OR . 1 1 27 27 HIS HD2 H . . . 1 1 24 24 LYS HB2 H . . . . . 3.203 1.921 4.485 . . . . . A . 27 HIS HD2 . . A . 24 LYS HB2 . . . 27 . HD2 . . . . . 24 . HB1 . . c30642_6pv1 1 374 2 OR . 1 1 27 27 HIS HD2 H . . . 1 1 24 24 LYS HB3 H . . . . . 3.203 1.921 4.485 . . . . . A . 27 HIS HD2 . . A . 24 LYS HB3 . . . 27 . HD2 . . . . . 24 . HB2 . . c30642_6pv1 1 375 1 . . 1 1 10 10 CYS HB3 H . . . 1 1 7 7 TRP HB3 H . . . . . 3.211 1.922 4.500 . . . . . A . 10 CYS HB3 . . A . 7 TRP HB3 . . . 10 . HB2 . . . . . 7 . HB2 . . c30642_6pv1 1 376 1 . . 1 1 14 14 PHE HZ H . . . 1 1 23 23 HIS HE1 H . . . . . 3.213 1.922 4.504 . . . . . A . 14 PHE HZ . . A . 23 HIS HE1 . . . 14 . HZ . . . . . 23 . HE1 . . c30642_6pv1 1 377 1 OR . 1 1 14 14 PHE HD2 H . . . 1 1 4 4 NLE HA H . . . . . 3.215 1.923 4.507 . . . . . A . 14 PHE HD2 . . A . 4 NLE HA . . . 14 . HD2 . . . . . 4 . HA . . c30642_6pv1 1 377 2 OR . 1 1 14 14 PHE HD1 H . . . 1 1 4 4 NLE HA H . . . . . 3.215 1.923 4.507 . . . . . A . 14 PHE HD1 . . A . 4 NLE HA . . . 14 . HD1 . . . . . 4 . HA . . c30642_6pv1 1 378 1 . . 1 1 4 4 NLE H H . . . 1 1 4 4 NLE HA H . . . . . 3.217 1.923 4.511 . . . . . A . 4 NLE H . . A . 4 NLE HA . . . 4 . HN . . . . . 4 . HA . . c30642_6pv1 1 379 1 . . 1 1 20 20 LEU HA H . . . 1 1 23 23 HIS HD2 H . . . . . 3.220 1.924 4.516 . . . . . A . 20 LEU HA . . A . 23 HIS HD2 . . . 20 . HA . . . . . 23 . HD2 . . c30642_6pv1 1 380 1 . . 1 1 28 28 THR MG H . . . 1 1 25 25 ARG HA H . . . . . 3.222 1.924 4.520 . . . . . A . 28 THR MG . . A . 25 ARG HA . . . 28 . HG21 . . . . . 25 . HA . . c30642_6pv1 1 381 1 . . 1 1 24 24 LYS H H . . . 1 1 20 20 LEU MD1 H . . . . . 3.226 1.925 4.527 . . . . . A . 24 LYS H . . A . 20 LEU MD1 . . . 24 . HN . . . . . 20 . HD11 . . c30642_6pv1 1 382 1 . . 1 1 7 7 TRP HB2 H . . . 1 1 27 27 HIS HE1 H . . . . . 3.228 1.926 4.530 . . . . . A . 7 TRP HB2 . . A . 27 HIS HE1 . . . 7 . HB1 . . . . . 27 . HE1 . . c30642_6pv1 1 383 1 OR . 1 1 16 16 ARG HB2 H . . . 1 1 18 18 ASP H H . . . . . 3.236 1.927 4.545 . . . . . A . 16 ARG HB2 . . A . 18 ASP H . . . 16 . HB1 . . . . . 18 . HN . . c30642_6pv1 1 383 2 OR . 1 1 16 16 ARG HB3 H . . . 1 1 18 18 ASP H H . . . . . 3.236 1.927 4.545 . . . . . A . 16 ARG HB3 . . A . 18 ASP H . . . 16 . HB2 . . . . . 18 . HN . . c30642_6pv1 1 384 1 . . 1 1 16 16 ARG H H . . . 1 1 16 16 ARG HG2 H . . . . . 3.238 1.927 4.549 . . . . . A . 16 ARG H . . A . 16 ARG HG2 . . . 16 . HN . . . . . 16 . HG1 . . c30642_6pv1 1 385 1 . . 1 1 7 7 TRP HD1 H . . . 1 1 7 7 TRP HA H . . . . . 3.238 1.927 4.549 . . . . . A . 7 TRP HD1 . . A . 7 TRP HA . . . 7 . HD1 . . . . . 7 . HA . . c30642_6pv1 1 386 1 OR . 1 1 3 3 PHE HE2 H . . . 1 1 17 17 SER H H . . . . . 3.243 1.928 4.558 . . . . . A . 3 PHE HE2 . . A . 17 SER H . . . 3 . HE2 . . . . . 17 . HN . . c30642_6pv1 1 386 2 OR . 1 1 3 3 PHE HE1 H . . . 1 1 17 17 SER H H . . . . . 3.243 1.928 4.558 . . . . . A . 3 PHE HE1 . . A . 17 SER H . . . 3 . HE1 . . . . . 17 . HN . . c30642_6pv1 1 387 1 . . 1 1 17 17 SER HB3 H . . . 1 1 17 17 SER H H . . . . . 3.243 1.928 4.558 . . . . . A . 17 SER HB3 . . A . 17 SER H . . . 17 . HB2 . . . . . 17 . HN . . c30642_6pv1 1 388 1 OR . 1 1 14 14 PHE HE2 H . . . 1 1 14 14 PHE HB3 H . . . . . 3.251 1.930 4.572 . . . . . A . 14 PHE HE2 . . A . 14 PHE HB3 . . . 14 . HE2 . . . . . 14 . HB2 . . c30642_6pv1 1 388 2 OR . 1 1 14 14 PHE HE1 H . . . 1 1 14 14 PHE HB3 H . . . . . 3.251 1.930 4.572 . . . . . A . 14 PHE HE1 . . A . 14 PHE HB3 . . . 14 . HE1 . . . . . 14 . HB2 . . c30642_6pv1 1 389 1 . . 1 1 26 26 THR H H . . . 1 1 24 24 LYS HA H . . . . . 3.252 1.930 4.574 . . . . . A . 26 THR H . . A . 24 LYS HA . . . 26 . HN . . . . . 24 . HA . . c30642_6pv1 1 390 1 . . 1 1 7 7 TRP H H . . . 1 1 10 10 CYS HB2 H . . . . . 3.266 1.933 4.599 . . . . . A . 7 TRP H . . A . 10 CYS HB2 . . . 7 . HN . . . . . 10 . HB1 . . c30642_6pv1 1 391 1 . . 1 1 12 12 LYS HG3 H . . . 1 1 23 23 HIS HE1 H . . . . . 3.266 1.933 4.599 . . . . . A . 12 LYS HG3 . . A . 23 HIS HE1 . . . 12 . HG2 . . . . . 23 . HE1 . . c30642_6pv1 1 392 1 . . 1 1 15 15 THR MG H . . . 1 1 16 16 ARG H H . . . . . 3.267 1.933 4.601 . . . . . A . 15 THR MG . . A . 16 ARG H . . . 15 . HG21 . . . . . 16 . HN . . c30642_6pv1 1 393 1 OR . 1 1 12 12 LYS HE2 H . . . 1 1 23 23 HIS HE1 H . . . . . 3.270 1.933 4.607 . . . . . A . 12 LYS HE2 . . A . 23 HIS HE1 . . . 12 . HE1 . . . . . 23 . HE1 . . c30642_6pv1 1 393 2 OR . 1 1 12 12 LYS HE3 H . . . 1 1 23 23 HIS HE1 H . . . . . 3.270 1.933 4.607 . . . . . A . 12 LYS HE3 . . A . 23 HIS HE1 . . . 12 . HE2 . . . . . 23 . HE1 . . c30642_6pv1 1 394 1 . . 1 1 2 2 PRO HB3 H . . . 1 1 2 2 PRO HD3 H . . . . . 3.276 1.935 4.617 . . . . . A . 2 PRO HB3 . . A . 2 PRO HD3 . . . 2 . HB2 . . . . . 2 . HD2 . . c30642_6pv1 1 395 1 . . 1 1 15 15 THR H H . . . 1 1 15 15 THR MG H . . . . . 3.276 1.935 4.617 . . . . . A . 15 THR H . . A . 15 THR MG . . . 15 . HN . . . . . 15 . HG21 . . c30642_6pv1 1 396 1 . . 1 1 24 24 LYS HA H . . . 1 1 25 25 ARG H H . . . . . 3.280 1.935 4.625 . . . . . A . 24 LYS HA . . A . 25 ARG H . . . 24 . HA . . . . . 25 . HN . . c30642_6pv1 1 397 1 . . 1 1 22 22 ARG HA H . . . 1 1 25 25 ARG H H . . . . . 3.282 1.935 4.629 . . . . . A . 22 ARG HA . . A . 25 ARG H . . . 22 . HA . . . . . 25 . HN . . c30642_6pv1 1 398 1 . . 1 1 14 14 PHE H H . . . 1 1 3 3 PHE H H . . . . . 3.283 1.935 4.631 . . . . . A . 14 PHE H . . A . 3 PHE H . . . 14 . HN . . . . . 3 . HN . . c30642_6pv1 1 399 1 . . 1 1 4 4 NLE HB2 H . . . 1 1 5 5 CYS H H . . . . . 3.296 1.938 4.654 . . . . . A . 4 NLE HB2 . . A . 5 CYS H . . . 4 . HB1 . . . . . 5 . HN . . c30642_6pv1 1 400 1 OR . 1 1 25 25 ARG HD2 H . . . 1 1 25 25 ARG H H . . . . . 3.306 1.940 4.672 . . . . . A . 25 ARG HD2 . . A . 25 ARG H . . . 25 . HD1 . . . . . 25 . HN . . c30642_6pv1 1 400 2 OR . 1 1 25 25 ARG HD3 H . . . 1 1 25 25 ARG H H . . . . . 3.306 1.940 4.672 . . . . . A . 25 ARG HD3 . . A . 25 ARG H . . . 25 . HD2 . . . . . 25 . HN . . c30642_6pv1 1 401 1 . . 1 1 20 20 LEU HG H . . . 1 1 21 21 GLN H H . . . . . 3.312 1.941 4.683 . . . . . A . 20 LEU HG . . A . 21 GLN H . . . 20 . HG . . . . . 21 . HN . . c30642_6pv1 1 402 1 . . 1 1 20 20 LEU H H . . . 1 1 14 14 PHE HB3 H . . . . . 3.318 1.942 4.694 . . . . . A . 20 LEU H . . A . 14 PHE HB3 . . . 20 . HN . . . . . 14 . HB2 . . c30642_6pv1 1 403 1 OR . 1 1 3 3 PHE HD2 H . . . 1 1 2 2 PRO HA H . . . . . 3.319 1.942 4.696 . . . . . A . 3 PHE HD2 . . A . 2 PRO HA . . . 3 . HD2 . . . . . 2 . HA . . c30642_6pv1 1 403 2 OR . 1 1 3 3 PHE HD1 H . . . 1 1 2 2 PRO HA H . . . . . 3.319 1.942 4.696 . . . . . A . 3 PHE HD1 . . A . 2 PRO HA . . . 3 . HD1 . . . . . 2 . HA . . c30642_6pv1 1 404 1 . . 1 1 16 16 ARG HA H . . . 1 1 16 16 ARG HG2 H . . . . . 3.320 1.942 4.698 . . . . . A . 16 ARG HA . . A . 16 ARG HG2 . . . 16 . HA . . . . . 16 . HG1 . . c30642_6pv1 1 405 1 . . 1 1 26 26 THR MG H . . . 1 1 23 23 HIS HE1 H . . . . . 3.324 1.943 4.705 . . . . . A . 26 THR MG . . A . 23 HIS HE1 . . . 26 . HG21 . . . . . 23 . HE1 . . c30642_6pv1 1 406 1 OR . 1 1 27 27 HIS HD2 H . . . 1 1 24 24 LYS HG2 H . . . . . 3.330 1.944 4.716 . . . . . A . 27 HIS HD2 . . A . 24 LYS HG2 . . . 27 . HD2 . . . . . 24 . HG1 . . c30642_6pv1 1 406 2 OR . 1 1 27 27 HIS HD2 H . . . 1 1 24 24 LYS HG3 H . . . . . 3.330 1.944 4.716 . . . . . A . 27 HIS HD2 . . A . 24 LYS HG3 . . . 27 . HD2 . . . . . 24 . HG2 . . c30642_6pv1 1 407 1 . . 1 1 17 17 SER HA H . . . 1 1 16 16 ARG HA H . . . . . 3.333 1.945 4.721 . . . . . A . 17 SER HA . . A . 16 ARG HA . . . 17 . HA . . . . . 16 . HA . . c30642_6pv1 1 408 1 OR . 1 1 14 14 PHE HD2 H . . . 1 1 5 5 CYS H H . . . . . 3.335 1.945 4.725 . . . . . A . 14 PHE HD2 . . A . 5 CYS H . . . 14 . HD2 . . . . . 5 . HN . . c30642_6pv1 1 408 2 OR . 1 1 14 14 PHE HD1 H . . . 1 1 5 5 CYS H H . . . . . 3.335 1.945 4.725 . . . . . A . 14 PHE HD1 . . A . 5 CYS H . . . 14 . HD1 . . . . . 5 . HN . . c30642_6pv1 1 409 1 . . 1 1 23 23 HIS HD2 H . . . 1 1 5 5 CYS HA H . . . . . 3.339 1.946 4.732 . . . . . A . 23 HIS HD2 . . A . 5 CYS HA . . . 23 . HD2 . . . . . 5 . HA . . c30642_6pv1 1 410 1 . . 1 1 20 20 LEU HA H . . . 1 1 24 24 LYS H H . . . . . 3.340 1.945 4.735 . . . . . A . 20 LEU HA . . A . 24 LYS H . . . 20 . HA . . . . . 24 . HN . . c30642_6pv1 1 411 1 . . 1 1 5 5 CYS H H . . . 1 1 4 4 NLE HB3 H . . . . . 3.344 1.946 4.742 . . . . . A . 5 CYS H . . A . 4 NLE HB3 . . . 5 . HN . . . . . 4 . HB2 . . c30642_6pv1 1 412 1 OR . 1 1 14 14 PHE HE2 H . . . 1 1 5 5 CYS H H . . . . . 3.350 1.947 4.753 . . . . . A . 14 PHE HE2 . . A . 5 CYS H . . . 14 . HE2 . . . . . 5 . HN . . c30642_6pv1 1 412 2 OR . 1 1 14 14 PHE HE1 H . . . 1 1 5 5 CYS H H . . . . . 3.350 1.947 4.753 . . . . . A . 14 PHE HE1 . . A . 5 CYS H . . . 14 . HE1 . . . . . 5 . HN . . c30642_6pv1 1 413 1 OR . 1 1 12 12 LYS HB2 H . . . 1 1 5 5 CYS HB3 H . . . . . 3.357 1.949 4.765 . . . . . A . 12 LYS HB2 . . A . 5 CYS HB3 . . . 12 . HB1 . . . . . 5 . HB2 . . c30642_6pv1 1 413 2 OR . 1 1 12 12 LYS HB3 H . . . 1 1 5 5 CYS HB3 H . . . . . 3.357 1.949 4.765 . . . . . A . 12 LYS HB3 . . A . 5 CYS HB3 . . . 12 . HB2 . . . . . 5 . HB2 . . c30642_6pv1 1 414 1 . . 1 1 7 7 TRP HB3 H . . . 1 1 8 8 ABA H H . . . . . 3.363 1.949 4.777 . . . . . A . 7 TRP HB3 . . A . 8 AIB H . . . 7 . HB2 . . . . . 8 . HN . . c30642_6pv1 1 415 1 . . 1 1 27 27 HIS HB3 H . . . 1 1 24 24 LYS HA H . . . . . 3.366 1.950 4.782 . . . . . A . 27 HIS HB3 . . A . 24 LYS HA . . . 27 . HB2 . . . . . 24 . HA . . c30642_6pv1 1 416 1 OR . 1 1 3 3 PHE HE2 H . . . 1 1 15 15 THR HA H . . . . . 3.383 1.952 4.814 . . . . . A . 3 PHE HE2 . . A . 15 THR HA . . . 3 . HE2 . . . . . 15 . HA . . c30642_6pv1 1 416 2 OR . 1 1 3 3 PHE HE1 H . . . 1 1 15 15 THR HA H . . . . . 3.383 1.952 4.814 . . . . . A . 3 PHE HE1 . . A . 15 THR HA . . . 3 . HE1 . . . . . 15 . HA . . c30642_6pv1 1 417 1 . . 1 1 27 27 HIS HD2 H . . . 1 1 27 27 HIS H H . . . . . 3.385 1.953 4.817 . . . . . A . 27 HIS HD2 . . A . 27 HIS H . . . 27 . HD2 . . . . . 27 . HN . . c30642_6pv1 1 418 1 . . 1 1 7 7 TRP H H . . . 1 1 5 5 CYS HA H . . . . . 3.393 1.954 4.832 . . . . . A . 7 TRP H . . A . 5 CYS HA . . . 7 . HN . . . . . 5 . HA . . c30642_6pv1 1 419 1 . . 1 1 7 7 TRP H H . . . 1 1 7 7 TRP HE3 H . . . . . 3.400 1.955 4.845 . . . . . A . 7 TRP H . . A . 7 TRP HE3 . . . 7 . HN . . . . . 7 . HE3 . . c30642_6pv1 1 420 1 OR . 1 1 16 16 ARG HB2 H . . . 1 1 17 17 SER H H . . . . . 3.416 1.957 4.875 . . . . . A . 16 ARG HB2 . . A . 17 SER H . . . 16 . HB1 . . . . . 17 . HN . . c30642_6pv1 1 420 2 OR . 1 1 16 16 ARG HB3 H . . . 1 1 17 17 SER H H . . . . . 3.416 1.957 4.875 . . . . . A . 16 ARG HB3 . . A . 17 SER H . . . 16 . HB2 . . . . . 17 . HN . . c30642_6pv1 1 421 1 . . 1 1 12 12 LYS H H . . . 1 1 5 5 CYS HB2 H . . . . . 3.420 1.958 4.882 . . . . . A . 12 LYS H . . A . 5 CYS HB2 . . . 12 . HN . . . . . 5 . HB1 . . c30642_6pv1 1 422 1 . . 1 1 21 21 GLN H H . . . 1 1 17 17 SER HA H . . . . . 3.423 1.958 4.888 . . . . . A . 21 GLN H . . A . 17 SER HA . . . 21 . HN . . . . . 17 . HA . . c30642_6pv1 1 423 1 . . 1 1 27 27 HIS HE1 H . . . 1 1 10 10 CYS HA H . . . . . 3.442 1.961 4.923 . . . . . A . 27 HIS HE1 . . A . 10 CYS HA . . . 27 . HE1 . . . . . 10 . HA . . c30642_6pv1 1 424 1 . . 1 1 18 18 ASP HB2 H . . . 1 1 18 18 ASP H H . . . . . 3.453 1.963 4.943 . . . . . A . 18 ASP HB2 . . A . 18 ASP H . . . 18 . HB1 . . . . . 18 . HN . . c30642_6pv1 1 425 1 . . 1 1 7 7 TRP H H . . . 1 1 8 8 ABA H H . . . . . 3.457 1.963 4.951 . . . . . A . 7 TRP H . . A . 8 AIB H . . . 7 . HN . . . . . 8 . HN . . c30642_6pv1 1 426 1 . . 1 1 23 23 HIS HD2 H . . . 1 1 23 23 HIS HE1 H . . . . . 3.465 1.964 4.966 . . . . . A . 23 HIS HD2 . . A . 23 HIS HE1 . . . 23 . HD2 . . . . . 23 . HE1 . . c30642_6pv1 1 427 1 . . 1 1 27 27 HIS HB2 H . . . 1 1 7 7 TRP HE3 H . . . . . 3.475 1.965 4.985 . . . . . A . 27 HIS HB2 . . A . 7 TRP HE3 . . . 27 . HB1 . . . . . 7 . HE3 . . c30642_6pv1 1 428 1 . . 1 1 7 7 TRP H H . . . 1 1 7 7 TRP HD1 H . . . . . 3.479 1.966 4.992 . . . . . A . 7 TRP H . . A . 7 TRP HD1 . . . 7 . HN . . . . . 7 . HD1 . . c30642_6pv1 1 429 1 . . 1 1 17 17 SER HB2 H . . . 1 1 18 18 ASP H H . . . . . 3.479 1.966 4.992 . . . . . A . 17 SER HB2 . . A . 18 ASP H . . . 17 . HB1 . . . . . 18 . HN . . c30642_6pv1 1 430 1 . . 1 1 14 14 PHE HB2 H . . . 1 1 15 15 THR H H . . . . . 3.480 1.966 4.994 . . . . . A . 14 PHE HB2 . . A . 15 THR H . . . 14 . HB1 . . . . . 15 . HN . . c30642_6pv1 1 431 1 . . 1 1 27 27 HIS HB2 H . . . 1 1 7 7 TRP HE1 H . . . . . 3.484 1.967 5.001 . . . . . A . 27 HIS HB2 . . A . 7 TRP HE1 . . . 27 . HB1 . . . . . 7 . HE1 . . c30642_6pv1 1 432 1 . . 1 1 7 7 TRP HB2 H . . . 1 1 8 8 ABA H H . . . . . 3.485 1.967 5.003 . . . . . A . 7 TRP HB2 . . A . 8 AIB H . . . 7 . HB1 . . . . . 8 . HN . . c30642_6pv1 1 433 1 . . 1 1 12 12 LYS HG2 H . . . 1 1 23 23 HIS HE1 H . . . . . 3.499 1.969 5.029 . . . . . A . 12 LYS HG2 . . A . 23 HIS HE1 . . . 12 . HG1 . . . . . 23 . HE1 . . c30642_6pv1 1 434 1 . . 1 1 20 20 LEU HA H . . . 1 1 21 21 GLN H H . . . . . 3.541 1.974 5.108 . . . . . A . 20 LEU HA . . A . 21 GLN H . . . 20 . HA . . . . . 21 . HN . . c30642_6pv1 1 435 1 . . 1 1 27 27 HIS HE1 H . . . 1 1 7 7 TRP HB3 H . . . . . 3.544 1.974 5.114 . . . . . A . 27 HIS HE1 . . A . 7 TRP HB3 . . . 27 . HE1 . . . . . 7 . HB2 . . c30642_6pv1 1 436 1 . . 1 1 12 12 LYS H H . . . 1 1 5 5 CYS H H . . . . . 3.546 1.974 5.118 . . . . . A . 12 LYS H . . A . 5 CYS H . . . 12 . HN . . . . . 5 . HN . . c30642_6pv1 1 437 1 . . 1 1 27 27 HIS HD2 H . . . 1 1 27 27 HIS HE1 H . . . . . 3.548 1.974 5.122 . . . . . A . 27 HIS HD2 . . A . 27 HIS HE1 . . . 27 . HD2 . . . . . 27 . HE1 . . c30642_6pv1 1 438 1 . . 1 1 27 27 HIS HD2 H . . . 1 1 7 7 TRP HE3 H . . . . . 3.550 1.975 5.125 . . . . . A . 27 HIS HD2 . . A . 7 TRP HE3 . . . 27 . HD2 . . . . . 7 . HE3 . . c30642_6pv1 1 439 1 OR . 1 1 3 3 PHE HD2 H . . . 1 1 17 17 SER HB2 H . . . . . 3.576 1.978 5.174 . . . . . A . 3 PHE HD2 . . A . 17 SER HB2 . . . 3 . HD2 . . . . . 17 . HB1 . . c30642_6pv1 1 439 2 OR . 1 1 3 3 PHE HD1 H . . . 1 1 17 17 SER HB2 H . . . . . 3.576 1.978 5.174 . . . . . A . 3 PHE HD1 . . A . 17 SER HB2 . . . 3 . HD1 . . . . . 17 . HB1 . . c30642_6pv1 1 440 1 . . 1 1 7 7 TRP HD1 H . . . 1 1 8 8 ABA H H . . . . . 3.605 1.981 5.229 . . . . . A . 7 TRP HD1 . . A . 8 AIB H . . . 7 . HD1 . . . . . 8 . HN . . c30642_6pv1 1 441 1 OR . 1 1 12 12 LYS HB2 H . . . 1 1 5 5 CYS H H . . . . . 3.611 1.981 5.241 . . . . . A . 12 LYS HB2 . . A . 5 CYS H . . . 12 . HB1 . . . . . 5 . HN . . c30642_6pv1 1 441 2 OR . 1 1 12 12 LYS HB3 H . . . 1 1 5 5 CYS H H . . . . . 3.611 1.981 5.241 . . . . . A . 12 LYS HB3 . . A . 5 CYS H . . . 12 . HB2 . . . . . 5 . HN . . c30642_6pv1 1 442 1 . . 1 1 8 8 ABA H H . . . 1 1 7 7 TRP HE3 H . . . . . 3.642 1.984 5.300 . . . . . A . 8 AIB H . . A . 7 TRP HE3 . . . 8 . HN . . . . . 7 . HE3 . . c30642_6pv1 1 443 1 . . 1 1 23 23 HIS HD2 H . . . 1 1 5 5 CYS H H . . . . . 3.659 1.986 5.332 . . . . . A . 23 HIS HD2 . . A . 5 CYS H . . . 23 . HD2 . . . . . 5 . HN . . c30642_6pv1 1 444 1 . . 1 1 7 7 TRP H H . . . 1 1 5 5 CYS HB3 H . . . . . 3.799 1.995 5.603 . . . . . A . 7 TRP H . . A . 5 CYS HB3 . . . 7 . HN . . . . . 5 . HB2 . . c30642_6pv1 1 445 1 . . 1 1 7 7 TRP HZ3 H . . . 1 1 7 7 TRP HE1 H . . . . . 3.865 1.998 5.732 . . . . . A . 7 TRP HZ3 . . A . 7 TRP HE1 . . . 7 . HZ3 . . . . . 7 . HE1 . . c30642_6pv1 1 446 1 . . 1 1 21 21 GLN H H . . . 1 1 19 19 GLU H H . . . . . 3.927 1.999 5.855 . . . . . A . 21 GLN H . . A . 19 GLU H . . . 21 . HN . . . . . 19 . HN . . c30642_6pv1 1 stop_ loop_ _Gen_dist_constraint_parse_err.ID _Gen_dist_constraint_parse_err.Content _Gen_dist_constraint_parse_err.Begin_line _Gen_dist_constraint_parse_err.Begin_column _Gen_dist_constraint_parse_err.End_line _Gen_dist_constraint_parse_err.End_column _Gen_dist_constraint_parse_err.Entry_ID _Gen_dist_constraint_parse_err.Gen_dist_constraint_list_ID 1 '# Restraints file 1: wsh2031_ambig.tbl' 1 1 1 38 c30642_6pv1 1 2 '# Restraints file 2: wsh2031_unambig.tbl' 145 1 145 40 c30642_6pv1 1 stop_ loop_ _Gen_dist_constraint_comment_org.ID _Gen_dist_constraint_comment_org.Comment_text _Gen_dist_constraint_comment_org.Comment_begin_line _Gen_dist_constraint_comment_org.Comment_begin_column _Gen_dist_constraint_comment_org.Comment_end_line _Gen_dist_constraint_comment_org.Comment_end_column _Gen_dist_constraint_comment_org.Entry_ID _Gen_dist_constraint_comment_org.Gen_dist_constraint_list_ID 1 'spec=NOESY, no=6, id=3, vol=1.930000e+08' 2 127 2 169 c30642_6pv1 1 2 'spec=NOESY, no=22, id=19, vol=7.330000e+07' 6 127 6 171 c30642_6pv1 1 3 'spec=NOESY, no=23, id=20, vol=7.000000e+07' 10 127 10 171 c30642_6pv1 1 4 'spec=NOESY, no=33, id=30, vol=5.340000e+07' 16 127 16 171 c30642_6pv1 1 5 'spec=NOESY, no=39, id=36, vol=4.980000e+07' 20 127 20 171 c30642_6pv1 1 6 'spec=NOESY, no=51, id=48, vol=4.200000e+07' 22 127 22 171 c30642_6pv1 1 7 'spec=NOESY, no=59, id=56, vol=3.840000e+07' 25 127 25 171 c30642_6pv1 1 8 'spec=NOESY, no=72, id=69, vol=3.510000e+07' 27 127 27 171 c30642_6pv1 1 9 'spec=NOESY, no=83, id=80, vol=3.210000e+07' 29 127 29 171 c30642_6pv1 1 10 'spec=NOESY, no=107, id=104, vol=2.680000e+07' 31 127 31 173 c30642_6pv1 1 11 'spec=NOESY, no=129, id=126, vol=2.260000e+07' 33 127 33 173 c30642_6pv1 1 12 'spec=NOESY, no=132, id=129, vol=2.240000e+07' 35 127 35 173 c30642_6pv1 1 13 'spec=NOESY, no=153, id=150, vol=2.050000e+07' 37 127 37 173 c30642_6pv1 1 14 'spec=NOESY, no=188, id=185, vol=1.720000e+07' 39 127 39 173 c30642_6pv1 1 15 'spec=NOESY, no=190, id=187, vol=1.720000e+07' 41 127 41 173 c30642_6pv1 1 16 'spec=NOESY, no=200, id=197, vol=1.640000e+07' 43 127 43 173 c30642_6pv1 1 17 'spec=NOESY, no=224, id=220, vol=1.440000e+07' 46 127 46 173 c30642_6pv1 1 18 'spec=NOESY, no=226, id=222, vol=1.430000e+07' 52 127 52 173 c30642_6pv1 1 19 'spec=NOESY, no=232, id=228, vol=1.350000e+07' 54 127 54 173 c30642_6pv1 1 20 'spec=NOESY, no=247, id=243, vol=1.240000e+07' 57 127 57 173 c30642_6pv1 1 21 'spec=NOESY, no=248, id=244, vol=1.240000e+07' 59 127 59 173 c30642_6pv1 1 22 'spec=NOESY, no=251, id=247, vol=1.210000e+07' 63 127 63 173 c30642_6pv1 1 23 'spec=NOESY, no=260, id=256, vol=1.140000e+07' 66 127 66 173 c30642_6pv1 1 24 'spec=NOESY, no=280, id=276, vol=1.030000e+07' 70 127 70 173 c30642_6pv1 1 25 'spec=NOESY, no=283, id=279, vol=1.010000e+07' 72 127 72 173 c30642_6pv1 1 26 'spec=NOESY, no=285, id=281, vol=9.980000e+06' 74 127 74 173 c30642_6pv1 1 27 'spec=NOESY, no=286, id=282, vol=9.930000e+06' 80 127 80 173 c30642_6pv1 1 28 'spec=NOESY, no=289, id=285, vol=9.730000e+06' 86 127 86 173 c30642_6pv1 1 29 'spec=NOESY, no=291, id=287, vol=9.660000e+06' 92 127 92 173 c30642_6pv1 1 30 'spec=NOESY, no=305, id=301, vol=8.920000e+06' 95 127 95 173 c30642_6pv1 1 31 'spec=NOESY, no=314, id=310, vol=8.630000e+06' 99 127 99 173 c30642_6pv1 1 32 'spec=NOESY, no=319, id=315, vol=8.450000e+06' 103 127 103 173 c30642_6pv1 1 33 'spec=NOESY, no=365, id=361, vol=6.740000e+06' 107 127 107 173 c30642_6pv1 1 34 'spec=NOESY, no=367, id=363, vol=6.710000e+06' 111 127 111 173 c30642_6pv1 1 35 'spec=NOESY, no=380, id=376, vol=6.100000e+06' 115 127 115 173 c30642_6pv1 1 36 'spec=NOESY, no=384, id=380, vol=5.900000e+06' 119 127 119 173 c30642_6pv1 1 37 'spec=NOESY, no=417, id=412, vol=4.820000e+06' 125 127 125 173 c30642_6pv1 1 38 'spec=NOESY, no=435, id=430, vol=4.420000e+06' 127 127 127 173 c30642_6pv1 1 39 'spec=NOESY, no=450, id=445, vol=3.780000e+06' 129 127 129 173 c30642_6pv1 1 40 'spec=NOESY, no=462, id=457, vol=3.400000e+06' 133 127 133 173 c30642_6pv1 1 41 'spec=NOESY, no=464, id=459, vol=3.250000e+06' 135 127 135 173 c30642_6pv1 1 42 'spec=NOESY, no=468, id=463, vol=3.090000e+06' 137 127 137 173 c30642_6pv1 1 43 'spec=NOESY, no=475, id=470, vol=2.760000e+06' 143 127 143 173 c30642_6pv1 1 44 'spec=NOESY, no=3, id=0, vol=2.610000e+08' 146 127 146 169 c30642_6pv1 1 45 'spec=NOESY, no=4, id=1, vol=2.370000e+08' 147 127 147 169 c30642_6pv1 1 46 'spec=NOESY, no=5, id=2, vol=2.150000e+08' 148 127 148 169 c30642_6pv1 1 47 'spec=NOESY, no=7, id=4, vol=1.730000e+08' 149 127 149 169 c30642_6pv1 1 48 'spec=NOESY, no=8, id=5, vol=1.680000e+08' 150 127 150 169 c30642_6pv1 1 49 'spec=NOESY, no=9, id=6, vol=1.380000e+08' 151 127 151 169 c30642_6pv1 1 50 'spec=NOESY, no=10, id=7, vol=1.330000e+08' 152 127 152 170 c30642_6pv1 1 51 'spec=NOESY, no=11, id=8, vol=1.320000e+08' 153 127 153 170 c30642_6pv1 1 52 'spec=NOESY, no=13, id=10, vol=1.310000e+08' 155 127 155 171 c30642_6pv1 1 53 'spec=NOESY, no=12, id=9, vol=1.310000e+08' 154 127 154 170 c30642_6pv1 1 54 'spec=NOESY, no=14, id=11, vol=1.250000e+08' 159 127 159 171 c30642_6pv1 1 55 'spec=NOESY, no=15, id=12, vol=1.220000e+08' 160 127 160 171 c30642_6pv1 1 56 'spec=NOESY, no=17, id=14, vol=1.060000e+08' 162 127 162 171 c30642_6pv1 1 57 'spec=NOESY, no=16, id=13, vol=1.170000e+08' 161 127 161 171 c30642_6pv1 1 58 'spec=NOESY, no=18, id=15, vol=1.040000e+08' 166 127 166 171 c30642_6pv1 1 59 'spec=NOESY, no=19, id=16, vol=8.590000e+07' 168 127 168 171 c30642_6pv1 1 60 'spec=NOESY, no=21, id=18, vol=7.670000e+07' 171 127 171 171 c30642_6pv1 1 61 'spec=NOESY, no=20, id=17, vol=7.810000e+07' 170 127 170 171 c30642_6pv1 1 62 'spec=NOESY, no=24, id=21, vol=6.900000e+07' 174 127 174 171 c30642_6pv1 1 63 'spec=NOESY, no=25, id=22, vol=6.310000e+07' 177 127 177 171 c30642_6pv1 1 64 'spec=NOESY, no=27, id=24, vol=5.930000e+07' 179 127 179 171 c30642_6pv1 1 65 'spec=NOESY, no=26, id=23, vol=6.160000e+07' 178 127 178 171 c30642_6pv1 1 66 'spec=NOESY, no=28, id=25, vol=5.820000e+07' 182 127 182 171 c30642_6pv1 1 67 'spec=NOESY, no=29, id=26, vol=5.720000e+07' 183 127 183 171 c30642_6pv1 1 68 'spec=NOESY, no=31, id=28, vol=5.480000e+07' 185 127 185 171 c30642_6pv1 1 69 'spec=NOESY, no=30, id=27, vol=5.660000e+07' 184 127 184 171 c30642_6pv1 1 70 'spec=NOESY, no=32, id=29, vol=5.380000e+07' 194 127 194 171 c30642_6pv1 1 71 'spec=NOESY, no=35, id=32, vol=5.320000e+07' 197 127 197 171 c30642_6pv1 1 72 'spec=NOESY, no=34, id=31, vol=5.330000e+07' 196 127 196 171 c30642_6pv1 1 73 'spec=NOESY, no=37, id=34, vol=5.110000e+07' 201 127 201 171 c30642_6pv1 1 74 'spec=NOESY, no=36, id=33, vol=5.220000e+07' 200 127 200 171 c30642_6pv1 1 75 'spec=NOESY, no=38, id=35, vol=5.060000e+07' 203 127 203 171 c30642_6pv1 1 76 'spec=NOESY, no=40, id=37, vol=4.890000e+07' 205 127 205 171 c30642_6pv1 1 77 'spec=NOESY, no=42, id=39, vol=4.660000e+07' 207 127 207 171 c30642_6pv1 1 78 'spec=NOESY, no=44, id=41, vol=4.510000e+07' 209 127 209 171 c30642_6pv1 1 79 'spec=NOESY, no=43, id=40, vol=4.560000e+07' 208 127 208 171 c30642_6pv1 1 80 'spec=NOESY, no=46, id=43, vol=4.430000e+07' 212 127 212 171 c30642_6pv1 1 81 'spec=NOESY, no=45, id=42, vol=4.450000e+07' 211 127 211 171 c30642_6pv1 1 82 'spec=NOESY, no=48, id=45, vol=4.410000e+07' 216 127 216 171 c30642_6pv1 1 83 'spec=NOESY, no=47, id=44, vol=4.430000e+07' 215 127 215 171 c30642_6pv1 1 84 'spec=NOESY, no=49, id=46, vol=4.390000e+07' 219 127 219 171 c30642_6pv1 1 85 'spec=NOESY, no=50, id=47, vol=4.210000e+07' 221 127 221 171 c30642_6pv1 1 86 'spec=NOESY, no=52, id=49, vol=4.170000e+07' 222 127 222 171 c30642_6pv1 1 87 'spec=NOESY, no=54, id=51, vol=4.010000e+07' 224 127 224 171 c30642_6pv1 1 88 'spec=NOESY, no=53, id=50, vol=4.090000e+07' 223 127 223 171 c30642_6pv1 1 89 'spec=NOESY, no=56, id=53, vol=3.900000e+07' 228 127 228 171 c30642_6pv1 1 90 'spec=NOESY, no=55, id=52, vol=3.950000e+07' 227 127 227 171 c30642_6pv1 1 91 'spec=NOESY, no=57, id=54, vol=3.860000e+07' 231 127 231 171 c30642_6pv1 1 92 'spec=NOESY, no=60, id=57, vol=3.810000e+07' 236 127 236 171 c30642_6pv1 1 93 'spec=NOESY, no=58, id=55, vol=3.850000e+07' 235 127 235 171 c30642_6pv1 1 94 'spec=NOESY, no=63, id=60, vol=3.720000e+07' 239 127 239 171 c30642_6pv1 1 95 'spec=NOESY, no=62, id=59, vol=3.720000e+07' 238 127 238 171 c30642_6pv1 1 96 'spec=NOESY, no=64, id=61, vol=3.690000e+07' 241 127 241 171 c30642_6pv1 1 97 'spec=NOESY, no=65, id=62, vol=3.660000e+07' 242 127 242 171 c30642_6pv1 1 98 'spec=NOESY, no=68, id=65, vol=3.570000e+07' 244 127 244 171 c30642_6pv1 1 99 'spec=NOESY, no=66, id=63, vol=3.610000e+07' 243 127 243 171 c30642_6pv1 1 100 'spec=NOESY, no=70, id=67, vol=3.520000e+07' 248 127 248 171 c30642_6pv1 1 101 'spec=NOESY, no=69, id=66, vol=3.540000e+07' 247 127 247 171 c30642_6pv1 1 102 'spec=NOESY, no=71, id=68, vol=3.520000e+07' 250 127 250 171 c30642_6pv1 1 103 'spec=NOESY, no=74, id=71, vol=3.420000e+07' 252 127 252 171 c30642_6pv1 1 104 'spec=NOESY, no=73, id=70, vol=3.510000e+07' 251 127 251 171 c30642_6pv1 1 105 'spec=NOESY, no=75, id=72, vol=3.350000e+07' 254 127 254 171 c30642_6pv1 1 106 'spec=NOESY, no=77, id=74, vol=3.330000e+07' 256 127 256 171 c30642_6pv1 1 107 'spec=NOESY, no=76, id=73, vol=3.340000e+07' 255 127 255 171 c30642_6pv1 1 108 'spec=NOESY, no=78, id=75, vol=3.300000e+07' 259 127 259 171 c30642_6pv1 1 109 'spec=NOESY, no=79, id=76, vol=3.300000e+07' 261 127 261 171 c30642_6pv1 1 110 'spec=NOESY, no=80, id=77, vol=3.290000e+07' 262 127 262 171 c30642_6pv1 1 111 'spec=NOESY, no=82, id=79, vol=3.230000e+07' 264 127 264 171 c30642_6pv1 1 112 'spec=NOESY, no=81, id=78, vol=3.270000e+07' 263 127 263 171 c30642_6pv1 1 113 'spec=NOESY, no=85, id=82, vol=3.110000e+07' 266 127 266 171 c30642_6pv1 1 114 'spec=NOESY, no=86, id=83, vol=3.090000e+07' 267 127 267 171 c30642_6pv1 1 115 'spec=NOESY, no=87, id=84, vol=3.080000e+07' 268 127 268 171 c30642_6pv1 1 116 'spec=NOESY, no=88, id=85, vol=3.040000e+07' 269 127 269 171 c30642_6pv1 1 117 'spec=NOESY, no=89, id=86, vol=2.990000e+07' 270 127 270 171 c30642_6pv1 1 118 'spec=NOESY, no=90, id=87, vol=2.970000e+07' 271 127 271 171 c30642_6pv1 1 119 'spec=NOESY, no=92, id=89, vol=2.900000e+07' 273 127 273 171 c30642_6pv1 1 120 'spec=NOESY, no=91, id=88, vol=2.900000e+07' 272 127 272 171 c30642_6pv1 1 121 'spec=NOESY, no=93, id=90, vol=2.880000e+07' 276 127 276 171 c30642_6pv1 1 122 'spec=NOESY, no=95, id=92, vol=2.860000e+07' 278 127 278 171 c30642_6pv1 1 123 'spec=NOESY, no=94, id=91, vol=2.870000e+07' 277 127 277 171 c30642_6pv1 1 124 'spec=NOESY, no=96, id=93, vol=2.830000e+07' 280 127 280 171 c30642_6pv1 1 125 'spec=NOESY, no=97, id=94, vol=2.780000e+07' 281 127 281 171 c30642_6pv1 1 126 'spec=NOESY, no=98, id=95, vol=2.770000e+07' 282 127 282 171 c30642_6pv1 1 127 'spec=NOESY, no=99, id=96, vol=2.760000e+07' 283 127 283 171 c30642_6pv1 1 128 'spec=NOESY, no=100, id=97, vol=2.760000e+07' 284 127 284 172 c30642_6pv1 1 129 'spec=NOESY, no=101, id=98, vol=2.750000e+07' 285 127 285 172 c30642_6pv1 1 130 'spec=NOESY, no=103, id=100, vol=2.750000e+07' 287 127 287 173 c30642_6pv1 1 131 'spec=NOESY, no=102, id=99, vol=2.750000e+07' 286 127 286 172 c30642_6pv1 1 132 'spec=NOESY, no=105, id=102, vol=2.730000e+07' 291 127 291 173 c30642_6pv1 1 133 'spec=NOESY, no=104, id=101, vol=2.740000e+07' 290 127 290 173 c30642_6pv1 1 134 'spec=NOESY, no=106, id=103, vol=2.700000e+07' 294 127 294 173 c30642_6pv1 1 135 'spec=NOESY, no=108, id=105, vol=2.680000e+07' 296 127 296 173 c30642_6pv1 1 136 'spec=NOESY, no=109, id=106, vol=2.640000e+07' 297 127 297 173 c30642_6pv1 1 137 'spec=NOESY, no=110, id=107, vol=2.610000e+07' 298 127 298 173 c30642_6pv1 1 138 'spec=NOESY, no=111, id=108, vol=2.540000e+07' 299 127 299 173 c30642_6pv1 1 139 'spec=NOESY, no=113, id=110, vol=2.480000e+07' 301 127 301 173 c30642_6pv1 1 140 'spec=NOESY, no=112, id=109, vol=2.540000e+07' 300 127 300 173 c30642_6pv1 1 141 'spec=NOESY, no=114, id=111, vol=2.480000e+07' 307 127 307 173 c30642_6pv1 1 142 'spec=NOESY, no=115, id=112, vol=2.460000e+07' 309 127 309 173 c30642_6pv1 1 143 'spec=NOESY, no=116, id=113, vol=2.440000e+07' 310 127 310 173 c30642_6pv1 1 144 'spec=NOESY, no=118, id=115, vol=2.400000e+07' 312 127 312 173 c30642_6pv1 1 145 'spec=NOESY, no=117, id=114, vol=2.420000e+07' 311 127 311 173 c30642_6pv1 1 146 'spec=NOESY, no=119, id=116, vol=2.390000e+07' 315 127 315 173 c30642_6pv1 1 147 'spec=NOESY, no=120, id=117, vol=2.390000e+07' 317 127 317 173 c30642_6pv1 1 148 'spec=NOESY, no=121, id=118, vol=2.380000e+07' 319 127 319 173 c30642_6pv1 1 149 'spec=NOESY, no=123, id=120, vol=2.340000e+07' 322 127 322 173 c30642_6pv1 1 150 'spec=NOESY, no=122, id=119, vol=2.350000e+07' 321 127 321 173 c30642_6pv1 1 151 'spec=NOESY, no=124, id=121, vol=2.330000e+07' 326 127 326 173 c30642_6pv1 1 152 'spec=NOESY, no=125, id=122, vol=2.330000e+07' 327 127 327 173 c30642_6pv1 1 153 'spec=NOESY, no=126, id=123, vol=2.330000e+07' 328 127 328 173 c30642_6pv1 1 154 'spec=NOESY, no=127, id=124, vol=2.320000e+07' 329 127 329 173 c30642_6pv1 1 155 'spec=NOESY, no=130, id=127, vol=2.250000e+07' 331 127 331 173 c30642_6pv1 1 156 'spec=NOESY, no=128, id=125, vol=2.310000e+07' 330 127 330 173 c30642_6pv1 1 157 'spec=NOESY, no=131, id=128, vol=2.250000e+07' 334 127 334 173 c30642_6pv1 1 158 'spec=NOESY, no=133, id=130, vol=2.230000e+07' 337 127 337 173 c30642_6pv1 1 159 'spec=NOESY, no=134, id=131, vol=2.220000e+07' 339 127 339 173 c30642_6pv1 1 160 'spec=NOESY, no=135, id=132, vol=2.210000e+07' 342 127 342 173 c30642_6pv1 1 161 'spec=NOESY, no=137, id=134, vol=2.200000e+07' 344 127 344 173 c30642_6pv1 1 162 'spec=NOESY, no=136, id=133, vol=2.210000e+07' 343 127 343 173 c30642_6pv1 1 163 'spec=NOESY, no=138, id=135, vol=2.190000e+07' 346 127 346 173 c30642_6pv1 1 164 'spec=NOESY, no=140, id=137, vol=2.160000e+07' 350 127 350 173 c30642_6pv1 1 165 'spec=NOESY, no=139, id=136, vol=2.180000e+07' 349 127 349 173 c30642_6pv1 1 166 'spec=NOESY, no=141, id=138, vol=2.150000e+07' 352 127 352 173 c30642_6pv1 1 167 'spec=NOESY, no=143, id=140, vol=2.140000e+07' 354 127 354 173 c30642_6pv1 1 168 'spec=NOESY, no=142, id=139, vol=2.150000e+07' 353 127 353 173 c30642_6pv1 1 169 'spec=NOESY, no=144, id=141, vol=2.130000e+07' 357 127 357 173 c30642_6pv1 1 170 'spec=NOESY, no=145, id=142, vol=2.130000e+07' 359 127 359 173 c30642_6pv1 1 171 'spec=NOESY, no=147, id=144, vol=2.130000e+07' 366 127 366 173 c30642_6pv1 1 172 'spec=NOESY, no=146, id=143, vol=2.130000e+07' 365 127 365 173 c30642_6pv1 1 173 'spec=NOESY, no=148, id=145, vol=2.120000e+07' 369 127 369 173 c30642_6pv1 1 174 'spec=NOESY, no=149, id=146, vol=2.100000e+07' 371 127 371 173 c30642_6pv1 1 175 'spec=NOESY, no=151, id=148, vol=2.070000e+07' 373 127 373 173 c30642_6pv1 1 176 'spec=NOESY, no=150, id=147, vol=2.080000e+07' 372 127 372 173 c30642_6pv1 1 177 'spec=NOESY, no=154, id=151, vol=2.040000e+07' 376 127 376 173 c30642_6pv1 1 178 'spec=NOESY, no=152, id=149, vol=2.060000e+07' 375 127 375 173 c30642_6pv1 1 179 'spec=NOESY, no=155, id=152, vol=2.030000e+07' 378 127 378 173 c30642_6pv1 1 180 'spec=NOESY, no=156, id=153, vol=2.020000e+07' 382 127 382 173 c30642_6pv1 1 181 'spec=NOESY, no=157, id=154, vol=2.010000e+07' 383 127 383 173 c30642_6pv1 1 182 'spec=NOESY, no=158, id=155, vol=2.010000e+07' 384 127 384 173 c30642_6pv1 1 183 'spec=NOESY, no=159, id=156, vol=2.000000e+07' 385 127 385 173 c30642_6pv1 1 184 'spec=NOESY, no=161, id=158, vol=1.980000e+07' 387 127 387 173 c30642_6pv1 1 185 'spec=NOESY, no=160, id=157, vol=1.990000e+07' 386 127 386 173 c30642_6pv1 1 186 'spec=NOESY, no=163, id=160, vol=1.970000e+07' 390 127 390 173 c30642_6pv1 1 187 'spec=NOESY, no=162, id=159, vol=1.980000e+07' 389 127 389 173 c30642_6pv1 1 188 'spec=NOESY, no=165, id=162, vol=1.970000e+07' 393 127 393 173 c30642_6pv1 1 189 'spec=NOESY, no=164, id=161, vol=1.970000e+07' 392 127 392 173 c30642_6pv1 1 190 'spec=NOESY, no=167, id=164, vol=1.910000e+07' 396 127 396 173 c30642_6pv1 1 191 'spec=NOESY, no=166, id=163, vol=1.910000e+07' 395 127 395 173 c30642_6pv1 1 192 'spec=NOESY, no=168, id=165, vol=1.900000e+07' 399 127 399 173 c30642_6pv1 1 193 'spec=NOESY, no=169, id=166, vol=1.900000e+07' 400 127 400 173 c30642_6pv1 1 194 'spec=NOESY, no=170, id=167, vol=1.890000e+07' 401 127 401 173 c30642_6pv1 1 195 'spec=NOESY, no=172, id=169, vol=1.870000e+07' 403 127 403 173 c30642_6pv1 1 196 'spec=NOESY, no=171, id=168, vol=1.890000e+07' 402 127 402 173 c30642_6pv1 1 197 'spec=NOESY, no=173, id=170, vol=1.870000e+07' 405 127 405 173 c30642_6pv1 1 198 'spec=NOESY, no=174, id=171, vol=1.860000e+07' 408 127 408 173 c30642_6pv1 1 199 'spec=NOESY, no=175, id=172, vol=1.830000e+07' 409 127 409 173 c30642_6pv1 1 200 'spec=NOESY, no=176, id=173, vol=1.820000e+07' 410 127 410 173 c30642_6pv1 1 201 'spec=NOESY, no=177, id=174, vol=1.820000e+07' 411 127 411 173 c30642_6pv1 1 202 'spec=NOESY, no=178, id=175, vol=1.810000e+07' 412 127 412 173 c30642_6pv1 1 203 'spec=NOESY, no=179, id=176, vol=1.800000e+07' 413 127 413 173 c30642_6pv1 1 204 'spec=NOESY, no=180, id=177, vol=1.800000e+07' 414 127 414 173 c30642_6pv1 1 205 'spec=NOESY, no=181, id=178, vol=1.780000e+07' 415 127 415 173 c30642_6pv1 1 206 'spec=NOESY, no=183, id=180, vol=1.770000e+07' 417 127 417 173 c30642_6pv1 1 207 'spec=NOESY, no=182, id=179, vol=1.770000e+07' 416 127 416 173 c30642_6pv1 1 208 'spec=NOESY, no=184, id=181, vol=1.770000e+07' 419 127 419 173 c30642_6pv1 1 209 'spec=NOESY, no=185, id=182, vol=1.760000e+07' 420 127 420 173 c30642_6pv1 1 210 'spec=NOESY, no=187, id=184, vol=1.720000e+07' 422 127 422 173 c30642_6pv1 1 211 'spec=NOESY, no=186, id=183, vol=1.740000e+07' 421 127 421 173 c30642_6pv1 1 212 'spec=NOESY, no=191, id=188, vol=1.710000e+07' 429 127 429 173 c30642_6pv1 1 213 'spec=NOESY, no=189, id=186, vol=1.720000e+07' 428 127 428 173 c30642_6pv1 1 214 'spec=NOESY, no=192, id=189, vol=1.710000e+07' 435 127 435 173 c30642_6pv1 1 215 'spec=NOESY, no=193, id=190, vol=1.700000e+07' 436 127 436 173 c30642_6pv1 1 216 'spec=NOESY, no=194, id=191, vol=1.680000e+07' 437 127 437 173 c30642_6pv1 1 217 'spec=NOESY, no=195, id=192, vol=1.660000e+07' 438 127 438 173 c30642_6pv1 1 218 'spec=NOESY, no=196, id=193, vol=1.660000e+07' 439 127 439 173 c30642_6pv1 1 219 'spec=NOESY, no=197, id=194, vol=1.660000e+07' 440 127 440 173 c30642_6pv1 1 220 'spec=NOESY, no=199, id=196, vol=1.640000e+07' 442 127 442 173 c30642_6pv1 1 221 'spec=NOESY, no=198, id=195, vol=1.650000e+07' 441 127 441 173 c30642_6pv1 1 222 'spec=NOESY, no=201, id=198, vol=1.630000e+07' 444 127 444 173 c30642_6pv1 1 223 'spec=NOESY, no=202, id=199, vol=1.620000e+07' 445 127 445 173 c30642_6pv1 1 224 'spec=NOESY, no=204, id=201, vol=1.610000e+07' 446 127 446 173 c30642_6pv1 1 225 'spec=NOESY, no=205, id=202, vol=1.600000e+07' 447 127 447 173 c30642_6pv1 1 226 'spec=NOESY, no=206, id=203, vol=1.590000e+07' 448 127 448 173 c30642_6pv1 1 227 'spec=NOESY, no=207, id=204, vol=1.570000e+07' 449 127 449 173 c30642_6pv1 1 228 'spec=NOESY, no=209, id=206, vol=1.560000e+07' 451 127 451 173 c30642_6pv1 1 229 'spec=NOESY, no=208, id=205, vol=1.570000e+07' 450 127 450 173 c30642_6pv1 1 230 'spec=NOESY, no=212, id=208, vol=1.540000e+07' 454 127 454 173 c30642_6pv1 1 231 'spec=NOESY, no=211, id=207, vol=1.540000e+07' 453 127 453 173 c30642_6pv1 1 232 'spec=NOESY, no=213, id=209, vol=1.540000e+07' 456 127 456 173 c30642_6pv1 1 233 'spec=NOESY, no=214, id=210, vol=1.540000e+07' 457 127 457 173 c30642_6pv1 1 234 'spec=NOESY, no=215, id=211, vol=1.530000e+07' 458 127 458 173 c30642_6pv1 1 235 'spec=NOESY, no=217, id=213, vol=1.520000e+07' 460 127 460 173 c30642_6pv1 1 236 'spec=NOESY, no=216, id=212, vol=1.530000e+07' 459 127 459 173 c30642_6pv1 1 237 'spec=NOESY, no=219, id=215, vol=1.520000e+07' 463 127 463 173 c30642_6pv1 1 238 'spec=NOESY, no=218, id=214, vol=1.520000e+07' 462 127 462 173 c30642_6pv1 1 239 'spec=NOESY, no=220, id=216, vol=1.520000e+07' 465 127 465 173 c30642_6pv1 1 240 'spec=NOESY, no=222, id=218, vol=1.500000e+07' 467 127 467 173 c30642_6pv1 1 241 'spec=NOESY, no=221, id=217, vol=1.510000e+07' 466 127 466 173 c30642_6pv1 1 242 'spec=NOESY, no=223, id=219, vol=1.450000e+07' 469 127 469 173 c30642_6pv1 1 243 'spec=NOESY, no=225, id=221, vol=1.440000e+07' 470 127 470 173 c30642_6pv1 1 244 'spec=NOESY, no=227, id=223, vol=1.420000e+07' 471 127 471 173 c30642_6pv1 1 245 'spec=NOESY, no=229, id=225, vol=1.410000e+07' 473 127 473 173 c30642_6pv1 1 246 'spec=NOESY, no=228, id=224, vol=1.410000e+07' 472 127 472 173 c30642_6pv1 1 247 'spec=NOESY, no=231, id=227, vol=1.370000e+07' 476 127 476 173 c30642_6pv1 1 248 'spec=NOESY, no=230, id=226, vol=1.390000e+07' 475 127 475 173 c30642_6pv1 1 249 'spec=NOESY, no=233, id=229, vol=1.340000e+07' 478 127 478 173 c30642_6pv1 1 250 'spec=NOESY, no=235, id=231, vol=1.320000e+07' 480 127 480 173 c30642_6pv1 1 251 'spec=NOESY, no=234, id=230, vol=1.330000e+07' 479 127 479 173 c30642_6pv1 1 252 'spec=NOESY, no=237, id=233, vol=1.320000e+07' 483 127 483 173 c30642_6pv1 1 253 'spec=NOESY, no=236, id=232, vol=1.320000e+07' 482 127 482 173 c30642_6pv1 1 254 'spec=NOESY, no=238, id=234, vol=1.300000e+07' 486 127 486 173 c30642_6pv1 1 255 'spec=NOESY, no=241, id=237, vol=1.290000e+07' 488 127 488 173 c30642_6pv1 1 256 'spec=NOESY, no=240, id=236, vol=1.290000e+07' 487 127 487 173 c30642_6pv1 1 257 'spec=NOESY, no=242, id=238, vol=1.290000e+07' 490 127 490 173 c30642_6pv1 1 258 'spec=NOESY, no=244, id=240, vol=1.260000e+07' 492 127 492 173 c30642_6pv1 1 259 'spec=NOESY, no=243, id=239, vol=1.270000e+07' 491 127 491 173 c30642_6pv1 1 260 'spec=NOESY, no=245, id=241, vol=1.250000e+07' 494 127 494 173 c30642_6pv1 1 261 'spec=NOESY, no=249, id=245, vol=1.240000e+07' 496 127 496 173 c30642_6pv1 1 262 'spec=NOESY, no=246, id=242, vol=1.250000e+07' 495 127 495 173 c30642_6pv1 1 263 'spec=NOESY, no=250, id=246, vol=1.220000e+07' 499 127 499 173 c30642_6pv1 1 264 'spec=NOESY, no=252, id=248, vol=1.210000e+07' 501 127 501 173 c30642_6pv1 1 265 'spec=NOESY, no=253, id=249, vol=1.200000e+07' 502 127 502 173 c30642_6pv1 1 266 'spec=NOESY, no=254, id=250, vol=1.200000e+07' 503 127 503 173 c30642_6pv1 1 267 'spec=NOESY, no=256, id=252, vol=1.170000e+07' 505 127 505 173 c30642_6pv1 1 268 'spec=NOESY, no=255, id=251, vol=1.180000e+07' 504 127 504 173 c30642_6pv1 1 269 'spec=NOESY, no=257, id=253, vol=1.170000e+07' 507 127 507 173 c30642_6pv1 1 270 'spec=NOESY, no=259, id=255, vol=1.150000e+07' 510 127 510 173 c30642_6pv1 1 271 'spec=NOESY, no=258, id=254, vol=1.150000e+07' 509 127 509 173 c30642_6pv1 1 272 'spec=NOESY, no=261, id=257, vol=1.140000e+07' 512 127 512 173 c30642_6pv1 1 273 'spec=NOESY, no=263, id=259, vol=1.130000e+07' 514 127 514 173 c30642_6pv1 1 274 'spec=NOESY, no=262, id=258, vol=1.130000e+07' 513 127 513 173 c30642_6pv1 1 275 'spec=NOESY, no=264, id=260, vol=1.130000e+07' 517 127 517 173 c30642_6pv1 1 276 'spec=NOESY, no=266, id=262, vol=1.130000e+07' 521 127 521 173 c30642_6pv1 1 277 'spec=NOESY, no=265, id=261, vol=1.130000e+07' 520 127 520 173 c30642_6pv1 1 278 'spec=NOESY, no=267, id=263, vol=1.120000e+07' 523 127 523 173 c30642_6pv1 1 279 'spec=NOESY, no=268, id=264, vol=1.120000e+07' 524 127 524 173 c30642_6pv1 1 280 'spec=NOESY, no=270, id=266, vol=1.100000e+07' 526 127 526 173 c30642_6pv1 1 281 'spec=NOESY, no=269, id=265, vol=1.120000e+07' 525 127 525 173 c30642_6pv1 1 282 'spec=NOESY, no=271, id=267, vol=1.100000e+07' 529 127 529 173 c30642_6pv1 1 283 'spec=NOESY, no=272, id=268, vol=1.090000e+07' 531 127 531 173 c30642_6pv1 1 284 'spec=NOESY, no=274, id=270, vol=1.080000e+07' 533 127 533 173 c30642_6pv1 1 285 'spec=NOESY, no=273, id=269, vol=1.080000e+07' 532 127 532 173 c30642_6pv1 1 286 'spec=NOESY, no=277, id=273, vol=1.050000e+07' 536 127 536 173 c30642_6pv1 1 287 'spec=NOESY, no=276, id=272, vol=1.060000e+07' 535 127 535 173 c30642_6pv1 1 288 'spec=NOESY, no=279, id=275, vol=1.040000e+07' 539 127 539 173 c30642_6pv1 1 289 'spec=NOESY, no=278, id=274, vol=1.040000e+07' 538 127 538 173 c30642_6pv1 1 290 'spec=NOESY, no=281, id=277, vol=1.020000e+07' 541 127 541 173 c30642_6pv1 1 291 'spec=NOESY, no=282, id=278, vol=1.010000e+07' 542 127 542 173 c30642_6pv1 1 292 'spec=NOESY, no=284, id=280, vol=1.010000e+07' 543 127 543 173 c30642_6pv1 1 293 'spec=NOESY, no=287, id=283, vol=9.910000e+06' 544 127 544 173 c30642_6pv1 1 294 'spec=NOESY, no=290, id=286, vol=9.680000e+06' 546 127 546 173 c30642_6pv1 1 295 'spec=NOESY, no=288, id=284, vol=9.860000e+06' 545 127 545 173 c30642_6pv1 1 296 'spec=NOESY, no=292, id=288, vol=9.650000e+06' 548 127 548 173 c30642_6pv1 1 297 'spec=NOESY, no=294, id=290, vol=9.550000e+06' 551 127 551 173 c30642_6pv1 1 298 'spec=NOESY, no=293, id=289, vol=9.580000e+06' 550 127 550 173 c30642_6pv1 1 299 'spec=NOESY, no=295, id=291, vol=9.500000e+06' 553 127 553 173 c30642_6pv1 1 300 'spec=NOESY, no=296, id=292, vol=9.420000e+06' 554 127 554 173 c30642_6pv1 1 301 'spec=NOESY, no=297, id=293, vol=9.410000e+06' 555 127 555 173 c30642_6pv1 1 302 'spec=NOESY, no=298, id=294, vol=9.340000e+06' 556 127 556 173 c30642_6pv1 1 303 'spec=NOESY, no=299, id=295, vol=9.240000e+06' 557 127 557 173 c30642_6pv1 1 304 'spec=NOESY, no=300, id=296, vol=9.230000e+06' 558 127 558 173 c30642_6pv1 1 305 'spec=NOESY, no=303, id=299, vol=8.970000e+06' 560 127 560 173 c30642_6pv1 1 306 'spec=NOESY, no=302, id=298, vol=9.010000e+06' 559 127 559 173 c30642_6pv1 1 307 'spec=NOESY, no=304, id=300, vol=8.920000e+06' 563 127 563 173 c30642_6pv1 1 308 'spec=NOESY, no=307, id=303, vol=8.850000e+06' 565 127 565 173 c30642_6pv1 1 309 'spec=NOESY, no=306, id=302, vol=8.860000e+06' 564 127 564 173 c30642_6pv1 1 310 'spec=NOESY, no=308, id=304, vol=8.840000e+06' 567 127 567 173 c30642_6pv1 1 311 'spec=NOESY, no=309, id=305, vol=8.840000e+06' 568 127 568 173 c30642_6pv1 1 312 'spec=NOESY, no=310, id=306, vol=8.830000e+06' 569 127 569 173 c30642_6pv1 1 313 'spec=NOESY, no=312, id=308, vol=8.690000e+06' 571 127 571 173 c30642_6pv1 1 314 'spec=NOESY, no=311, id=307, vol=8.760000e+06' 570 127 570 173 c30642_6pv1 1 315 'spec=NOESY, no=313, id=309, vol=8.680000e+06' 573 127 573 173 c30642_6pv1 1 316 'spec=NOESY, no=315, id=311, vol=8.600000e+06' 574 127 574 173 c30642_6pv1 1 317 'spec=NOESY, no=316, id=312, vol=8.590000e+06' 575 127 575 173 c30642_6pv1 1 318 'spec=NOESY, no=317, id=313, vol=8.590000e+06' 576 127 576 173 c30642_6pv1 1 319 'spec=NOESY, no=320, id=316, vol=8.450000e+06' 578 127 578 173 c30642_6pv1 1 320 'spec=NOESY, no=318, id=314, vol=8.470000e+06' 577 127 577 173 c30642_6pv1 1 321 'spec=NOESY, no=321, id=317, vol=8.380000e+06' 580 127 580 173 c30642_6pv1 1 322 'spec=NOESY, no=322, id=318, vol=8.380000e+06' 583 127 583 173 c30642_6pv1 1 323 'spec=NOESY, no=324, id=320, vol=8.320000e+06' 585 127 585 173 c30642_6pv1 1 324 'spec=NOESY, no=323, id=319, vol=8.330000e+06' 584 127 584 173 c30642_6pv1 1 325 'spec=NOESY, no=326, id=322, vol=8.210000e+06' 589 127 589 173 c30642_6pv1 1 326 'spec=NOESY, no=325, id=321, vol=8.250000e+06' 588 127 588 173 c30642_6pv1 1 327 'spec=NOESY, no=327, id=323, vol=8.210000e+06' 592 127 592 173 c30642_6pv1 1 328 'spec=NOESY, no=328, id=324, vol=8.160000e+06' 593 127 593 173 c30642_6pv1 1 329 'spec=NOESY, no=330, id=326, vol=7.990000e+06' 595 127 595 173 c30642_6pv1 1 330 'spec=NOESY, no=329, id=325, vol=8.050000e+06' 594 127 594 173 c30642_6pv1 1 331 'spec=NOESY, no=331, id=327, vol=7.980000e+06' 597 127 597 173 c30642_6pv1 1 332 'spec=NOESY, no=332, id=328, vol=7.970000e+06' 598 127 598 173 c30642_6pv1 1 333 'spec=NOESY, no=333, id=329, vol=7.910000e+06' 599 127 599 173 c30642_6pv1 1 334 'spec=NOESY, no=334, id=330, vol=7.890000e+06' 600 127 600 173 c30642_6pv1 1 335 'spec=NOESY, no=335, id=331, vol=7.850000e+06' 601 127 601 173 c30642_6pv1 1 336 'spec=NOESY, no=336, id=332, vol=7.680000e+06' 602 127 602 173 c30642_6pv1 1 337 'spec=NOESY, no=337, id=333, vol=7.580000e+06' 603 127 603 173 c30642_6pv1 1 338 'spec=NOESY, no=338, id=334, vol=7.580000e+06' 604 127 604 173 c30642_6pv1 1 339 'spec=NOESY, no=339, id=335, vol=7.520000e+06' 605 127 605 173 c30642_6pv1 1 340 'spec=NOESY, no=340, id=336, vol=7.480000e+06' 606 127 606 173 c30642_6pv1 1 341 'spec=NOESY, no=342, id=338, vol=7.400000e+06' 608 127 608 173 c30642_6pv1 1 342 'spec=NOESY, no=341, id=337, vol=7.410000e+06' 607 127 607 173 c30642_6pv1 1 343 'spec=NOESY, no=344, id=340, vol=7.320000e+06' 611 127 611 173 c30642_6pv1 1 344 'spec=NOESY, no=343, id=339, vol=7.330000e+06' 610 127 610 173 c30642_6pv1 1 345 'spec=NOESY, no=345, id=341, vol=7.310000e+06' 614 127 614 173 c30642_6pv1 1 346 'spec=NOESY, no=346, id=342, vol=7.310000e+06' 616 127 616 173 c30642_6pv1 1 347 'spec=NOESY, no=347, id=343, vol=7.300000e+06' 617 127 617 173 c30642_6pv1 1 348 'spec=NOESY, no=348, id=344, vol=7.300000e+06' 618 127 618 173 c30642_6pv1 1 349 'spec=NOESY, no=349, id=345, vol=7.290000e+06' 619 127 619 173 c30642_6pv1 1 350 'spec=NOESY, no=350, id=346, vol=7.250000e+06' 620 127 620 173 c30642_6pv1 1 351 'spec=NOESY, no=351, id=347, vol=7.240000e+06' 621 127 621 173 c30642_6pv1 1 352 'spec=NOESY, no=353, id=349, vol=7.230000e+06' 623 127 623 173 c30642_6pv1 1 353 'spec=NOESY, no=352, id=348, vol=7.240000e+06' 622 127 622 173 c30642_6pv1 1 354 'spec=NOESY, no=354, id=350, vol=7.180000e+06' 625 127 625 173 c30642_6pv1 1 355 'spec=NOESY, no=355, id=351, vol=7.150000e+06' 627 127 627 173 c30642_6pv1 1 356 'spec=NOESY, no=356, id=352, vol=7.080000e+06' 628 127 628 173 c30642_6pv1 1 357 'spec=NOESY, no=357, id=353, vol=7.050000e+06' 629 127 629 173 c30642_6pv1 1 358 'spec=NOESY, no=358, id=354, vol=7.040000e+06' 630 127 630 173 c30642_6pv1 1 359 'spec=NOESY, no=359, id=355, vol=6.980000e+06' 631 127 631 173 c30642_6pv1 1 360 'spec=NOESY, no=361, id=357, vol=6.950000e+06' 633 127 633 173 c30642_6pv1 1 361 'spec=NOESY, no=360, id=356, vol=6.980000e+06' 632 127 632 173 c30642_6pv1 1 362 'spec=NOESY, no=362, id=358, vol=6.930000e+06' 635 127 635 173 c30642_6pv1 1 363 'spec=NOESY, no=364, id=360, vol=6.740000e+06' 637 127 637 173 c30642_6pv1 1 364 'spec=NOESY, no=363, id=359, vol=6.740000e+06' 636 127 636 173 c30642_6pv1 1 365 'spec=NOESY, no=368, id=364, vol=6.590000e+06' 639 127 639 173 c30642_6pv1 1 366 'spec=NOESY, no=369, id=365, vol=6.530000e+06' 641 127 641 173 c30642_6pv1 1 367 'spec=NOESY, no=370, id=366, vol=6.470000e+06' 642 127 642 173 c30642_6pv1 1 368 'spec=NOESY, no=371, id=367, vol=6.430000e+06' 643 127 643 173 c30642_6pv1 1 369 'spec=NOESY, no=373, id=369, vol=6.360000e+06' 645 127 645 173 c30642_6pv1 1 370 'spec=NOESY, no=372, id=368, vol=6.400000e+06' 644 127 644 173 c30642_6pv1 1 371 'spec=NOESY, no=374, id=370, vol=6.260000e+06' 647 127 647 173 c30642_6pv1 1 372 'spec=NOESY, no=375, id=371, vol=6.260000e+06' 648 127 648 173 c30642_6pv1 1 373 'spec=NOESY, no=376, id=372, vol=6.240000e+06' 649 127 649 173 c30642_6pv1 1 374 'spec=NOESY, no=379, id=375, vol=6.120000e+06' 651 127 651 173 c30642_6pv1 1 375 'spec=NOESY, no=377, id=373, vol=6.210000e+06' 650 127 650 173 c30642_6pv1 1 376 'spec=NOESY, no=381, id=377, vol=6.080000e+06' 653 127 653 173 c30642_6pv1 1 377 'spec=NOESY, no=385, id=381, vol=5.830000e+06' 657 127 657 173 c30642_6pv1 1 378 'spec=NOESY, no=383, id=379, vol=5.970000e+06' 656 127 656 173 c30642_6pv1 1 379 'spec=NOESY, no=386, id=382, vol=5.790000e+06' 659 127 659 173 c30642_6pv1 1 380 'spec=NOESY, no=388, id=384, vol=5.750000e+06' 661 127 661 173 c30642_6pv1 1 381 'spec=NOESY, no=387, id=383, vol=5.790000e+06' 660 127 660 173 c30642_6pv1 1 382 'spec=NOESY, no=389, id=385, vol=5.710000e+06' 663 127 663 173 c30642_6pv1 1 383 'spec=NOESY, no=390, id=386, vol=5.620000e+06' 665 127 665 173 c30642_6pv1 1 384 'spec=NOESY, no=392, id=388, vol=5.580000e+06' 667 127 667 173 c30642_6pv1 1 385 'spec=NOESY, no=391, id=387, vol=5.600000e+06' 666 127 666 173 c30642_6pv1 1 386 'spec=NOESY, no=393, id=389, vol=5.580000e+06' 670 127 670 173 c30642_6pv1 1 387 'spec=NOESY, no=394, id=390, vol=5.560000e+06' 672 127 672 173 c30642_6pv1 1 388 'spec=NOESY, no=396, id=392, vol=5.510000e+06' 674 127 674 173 c30642_6pv1 1 389 'spec=NOESY, no=395, id=391, vol=5.530000e+06' 673 127 673 173 c30642_6pv1 1 390 'spec=NOESY, no=398, id=393, vol=5.470000e+06' 677 127 677 173 c30642_6pv1 1 391 'spec=NOESY, no=400, id=395, vol=5.370000e+06' 681 127 681 173 c30642_6pv1 1 392 'spec=NOESY, no=399, id=394, vol=5.450000e+06' 680 127 680 173 c30642_6pv1 1 393 'spec=NOESY, no=401, id=396, vol=5.350000e+06' 683 127 683 173 c30642_6pv1 1 394 'spec=NOESY, no=403, id=398, vol=5.300000e+06' 685 127 685 173 c30642_6pv1 1 395 'spec=NOESY, no=402, id=397, vol=5.350000e+06' 684 127 684 173 c30642_6pv1 1 396 'spec=NOESY, no=405, id=400, vol=5.220000e+06' 688 127 688 173 c30642_6pv1 1 397 'spec=NOESY, no=404, id=399, vol=5.300000e+06' 687 127 687 173 c30642_6pv1 1 398 'spec=NOESY, no=406, id=401, vol=5.210000e+06' 690 127 690 173 c30642_6pv1 1 399 'spec=NOESY, no=407, id=402, vol=5.080000e+06' 691 127 691 173 c30642_6pv1 1 400 'spec=NOESY, no=409, id=404, vol=5.070000e+06' 693 127 693 173 c30642_6pv1 1 401 'spec=NOESY, no=408, id=403, vol=5.080000e+06' 692 127 692 173 c30642_6pv1 1 402 'spec=NOESY, no=410, id=405, vol=5.040000e+06' 696 127 696 173 c30642_6pv1 1 403 'spec=NOESY, no=413, id=408, vol=4.990000e+06' 699 127 699 173 c30642_6pv1 1 404 'spec=NOESY, no=412, id=407, vol=4.990000e+06' 698 127 698 173 c30642_6pv1 1 405 'spec=NOESY, no=414, id=409, vol=4.950000e+06' 702 127 702 173 c30642_6pv1 1 406 'spec=NOESY, no=415, id=410, vol=4.930000e+06' 703 127 703 173 c30642_6pv1 1 407 'spec=NOESY, no=416, id=411, vol=4.920000e+06' 704 127 704 173 c30642_6pv1 1 408 'spec=NOESY, no=420, id=415, vol=4.720000e+06' 706 127 706 173 c30642_6pv1 1 409 'spec=NOESY, no=418, id=413, vol=4.810000e+06' 705 127 705 173 c30642_6pv1 1 410 'spec=NOESY, no=421, id=416, vol=4.670000e+06' 708 127 708 173 c30642_6pv1 1 411 'spec=NOESY, no=423, id=418, vol=4.610000e+06' 710 127 710 173 c30642_6pv1 1 412 'spec=NOESY, no=422, id=417, vol=4.620000e+06' 709 127 709 173 c30642_6pv1 1 413 'spec=NOESY, no=425, id=420, vol=4.570000e+06' 713 127 713 173 c30642_6pv1 1 414 'spec=NOESY, no=424, id=419, vol=4.600000e+06' 712 127 712 173 c30642_6pv1 1 415 'spec=NOESY, no=427, id=422, vol=4.520000e+06' 716 127 716 173 c30642_6pv1 1 416 'spec=NOESY, no=430, id=425, vol=4.480000e+06' 719 127 719 173 c30642_6pv1 1 417 'spec=NOESY, no=428, id=423, vol=4.500000e+06' 718 127 718 173 c30642_6pv1 1 418 'spec=NOESY, no=431, id=426, vol=4.450000e+06' 721 127 721 173 c30642_6pv1 1 419 'spec=NOESY, no=434, id=429, vol=4.430000e+06' 723 127 723 173 c30642_6pv1 1 420 'spec=NOESY, no=433, id=428, vol=4.440000e+06' 722 127 722 173 c30642_6pv1 1 421 'spec=NOESY, no=437, id=432, vol=4.360000e+06' 727 127 727 173 c30642_6pv1 1 422 'spec=NOESY, no=436, id=431, vol=4.410000e+06' 726 127 726 173 c30642_6pv1 1 423 'spec=NOESY, no=438, id=433, vol=4.310000e+06' 729 127 729 173 c30642_6pv1 1 424 'spec=NOESY, no=439, id=434, vol=4.260000e+06' 731 127 731 173 c30642_6pv1 1 425 'spec=NOESY, no=440, id=435, vol=4.260000e+06' 734 127 734 173 c30642_6pv1 1 426 'spec=NOESY, no=442, id=437, vol=4.110000e+06' 736 127 736 173 c30642_6pv1 1 427 'spec=NOESY, no=441, id=436, vol=4.240000e+06' 735 127 735 173 c30642_6pv1 1 428 'spec=NOESY, no=443, id=438, vol=4.100000e+06' 738 127 738 173 c30642_6pv1 1 429 'spec=NOESY, no=445, id=440, vol=4.040000e+06' 739 127 739 173 c30642_6pv1 1 430 'spec=NOESY, no=447, id=442, vol=3.880000e+06' 741 127 741 173 c30642_6pv1 1 431 'spec=NOESY, no=446, id=441, vol=3.990000e+06' 740 127 740 173 c30642_6pv1 1 432 'spec=NOESY, no=448, id=443, vol=3.850000e+06' 743 127 743 173 c30642_6pv1 1 433 'spec=NOESY, no=449, id=444, vol=3.830000e+06' 744 127 744 173 c30642_6pv1 1 434 'spec=NOESY, no=451, id=446, vol=3.710000e+06' 745 127 745 173 c30642_6pv1 1 435 'spec=NOESY, no=452, id=447, vol=3.640000e+06' 746 127 746 173 c30642_6pv1 1 436 'spec=NOESY, no=453, id=448, vol=3.610000e+06' 747 127 747 173 c30642_6pv1 1 437 'spec=NOESY, no=454, id=449, vol=3.560000e+06' 748 127 748 173 c30642_6pv1 1 438 'spec=NOESY, no=455, id=450, vol=3.500000e+06' 749 127 749 173 c30642_6pv1 1 439 'spec=NOESY, no=456, id=451, vol=3.480000e+06' 750 127 750 173 c30642_6pv1 1 440 'spec=NOESY, no=457, id=452, vol=3.480000e+06' 751 127 751 173 c30642_6pv1 1 441 'spec=NOESY, no=458, id=453, vol=3.470000e+06' 752 127 752 173 c30642_6pv1 1 442 'spec=NOESY, no=460, id=455, vol=3.450000e+06' 753 127 753 173 c30642_6pv1 1 443 'spec=NOESY, no=461, id=456, vol=3.440000e+06' 754 127 754 173 c30642_6pv1 1 444 'spec=NOESY, no=463, id=458, vol=3.360000e+06' 755 127 755 173 c30642_6pv1 1 445 'spec=NOESY, no=465, id=460, vol=3.130000e+06' 756 127 756 173 c30642_6pv1 1 446 'spec=NOESY, no=466, id=461, vol=3.110000e+06' 757 127 757 173 c30642_6pv1 1 447 'spec=NOESY, no=467, id=462, vol=3.100000e+06' 758 127 758 173 c30642_6pv1 1 448 'spec=NOESY, no=469, id=464, vol=3.090000e+06' 759 127 759 173 c30642_6pv1 1 449 'spec=NOESY, no=471, id=466, vol=2.950000e+06' 761 127 761 173 c30642_6pv1 1 450 'spec=NOESY, no=470, id=465, vol=3.080000e+06' 760 127 760 173 c30642_6pv1 1 451 'spec=NOESY, no=474, id=469, vol=2.780000e+06' 764 127 764 173 c30642_6pv1 1 452 'spec=NOESY, no=473, id=468, vol=2.810000e+06' 763 127 763 173 c30642_6pv1 1 453 'spec=NOESY, no=476, id=471, vol=2.640000e+06' 766 127 766 173 c30642_6pv1 1 454 'spec=NOESY, no=477, id=472, vol=2.570000e+06' 767 127 767 173 c30642_6pv1 1 455 'spec=NOESY, no=478, id=473, vol=2.050000e+06' 768 127 768 173 c30642_6pv1 1 456 'spec=NOESY, no=479, id=474, vol=1.850000e+06' 769 127 769 173 c30642_6pv1 1 457 'spec=NOESY, no=480, id=475, vol=1.680000e+06' 770 127 770 173 c30642_6pv1 1 stop_ loop_ _Gen_dist_constraint_conv_err.ID _Gen_dist_constraint_conv_err.Gen_dist_constraint_parse_file_ID _Gen_dist_constraint_conv_err.Parse_file_constraint_ID _Gen_dist_constraint_conv_err.Conv_error_type _Gen_dist_constraint_conv_err.Conv_error_note _Gen_dist_constraint_conv_err.Entry_ID _Gen_dist_constraint_conv_err.Gen_dist_constraint_list_ID 1 2 17 1 "Not handling restraint 17, item 2, resonance(s) ' .8.HB12' (nmrStar names) not linked" c30642_6pv1 1 2 2 17 1 "Not handling restraint 17, item 3, resonance(s) ' .8.HB11' (nmrStar names) not linked" c30642_6pv1 1 3 2 17 1 "Not handling restraint 17, item 4, resonance(s) ' .8.HB13' (nmrStar names) not linked" c30642_6pv1 1 4 2 42 1 "Not handling restraint 42, item 5, resonance(s) ' .8.HB12' (nmrStar names) not linked" c30642_6pv1 1 5 2 42 1 "Not handling restraint 42, item 6, resonance(s) ' .8.HB11' (nmrStar names) not linked" c30642_6pv1 1 6 2 42 1 "Not handling restraint 42, item 7, resonance(s) ' .8.HB13' (nmrStar names) not linked" c30642_6pv1 1 7 2 55 1 "Not handling restraint 55, item 1, resonance(s) ' .32.HN1' (nmrStar names),' .32.HN2' (nmrStar names) not linked" c30642_6pv1 1 8 2 69 1 "Not handling restraint 69, item 10, resonance(s) ' .8.HB13' (nmrStar names),' .8.HB23' (nmrStar names) not linked" c30642_6pv1 1 9 2 69 1 "Not handling restraint 69, item 2, resonance(s) ' .8.HB12' (nmrStar names),' .8.HB22' (nmrStar names) not linked" c30642_6pv1 1 10 2 69 1 "Not handling restraint 69, item 3, resonance(s) ' .8.HB11' (nmrStar names),' .8.HB22' (nmrStar names) not linked" c30642_6pv1 1 11 2 69 1 "Not handling restraint 69, item 4, resonance(s) ' .8.HB13' (nmrStar names),' .8.HB22' (nmrStar names) not linked" c30642_6pv1 1 12 2 69 1 "Not handling restraint 69, item 5, resonance(s) ' .8.HB12' (nmrStar names),' .8.HB21' (nmrStar names) not linked" c30642_6pv1 1 13 2 69 1 "Not handling restraint 69, item 6, resonance(s) ' .8.HB11' (nmrStar names),' .8.HB21' (nmrStar names) not linked" c30642_6pv1 1 14 2 69 1 "Not handling restraint 69, item 7, resonance(s) ' .8.HB13' (nmrStar names),' .8.HB21' (nmrStar names) not linked" c30642_6pv1 1 15 2 69 1 "Not handling restraint 69, item 8, resonance(s) ' .8.HB12' (nmrStar names),' .8.HB23' (nmrStar names) not linked" c30642_6pv1 1 16 2 69 1 "Not handling restraint 69, item 9, resonance(s) ' .8.HB11' (nmrStar names),' .8.HB23' (nmrStar names) not linked" c30642_6pv1 1 17 2 72 1 "Not handling restraint 72, item 2, resonance(s) ' .8.HB22' (nmrStar names) not linked" c30642_6pv1 1 18 2 72 1 "Not handling restraint 72, item 3, resonance(s) ' .8.HB21' (nmrStar names) not linked" c30642_6pv1 1 19 2 72 1 "Not handling restraint 72, item 4, resonance(s) ' .8.HB23' (nmrStar names) not linked" c30642_6pv1 1 20 2 107 1 "Not handling restraint 107, item 2, resonance(s) ' .8.HB12' (nmrStar names) not linked" c30642_6pv1 1 21 2 107 1 "Not handling restraint 107, item 3, resonance(s) ' .8.HB11' (nmrStar names) not linked" c30642_6pv1 1 22 2 107 1 "Not handling restraint 107, item 4, resonance(s) ' .8.HB13' (nmrStar names) not linked" c30642_6pv1 1 23 2 159 1 "Not handling restraint 159, item 2, resonance(s) ' .8.HB22' (nmrStar names) not linked" c30642_6pv1 1 24 2 159 1 "Not handling restraint 159, item 3, resonance(s) ' .8.HB21' (nmrStar names) not linked" c30642_6pv1 1 25 2 159 1 "Not handling restraint 159, item 4, resonance(s) ' .8.HB23' (nmrStar names) not linked" c30642_6pv1 1 26 2 275 1 "Not handling restraint 275, item 2, resonance(s) ' .8.HB12' (nmrStar names) not linked" c30642_6pv1 1 27 2 275 1 "Not handling restraint 275, item 3, resonance(s) ' .8.HB11' (nmrStar names) not linked" c30642_6pv1 1 28 2 275 1 "Not handling restraint 275, item 4, resonance(s) ' .8.HB13' (nmrStar names) not linked" c30642_6pv1 1 29 2 385 1 "Not handling restraint 385, item 2, resonance(s) ' .8.HB22' (nmrStar names) not linked" c30642_6pv1 1 30 2 385 1 "Not handling restraint 385, item 3, resonance(s) ' .8.HB21' (nmrStar names) not linked" c30642_6pv1 1 31 2 385 1 "Not handling restraint 385, item 4, resonance(s) ' .8.HB23' (nmrStar names) not linked" c30642_6pv1 1 32 2 420 1 "Not handling restraint 420, item 2, resonance(s) ' .8.HB22' (nmrStar names) not linked" c30642_6pv1 1 33 2 420 1 "Not handling restraint 420, item 3, resonance(s) ' .8.HB21' (nmrStar names) not linked" c30642_6pv1 1 34 2 420 1 "Not handling restraint 420, item 4, resonance(s) ' .8.HB23' (nmrStar names) not linked" c30642_6pv1 1 35 2 424 1 "Not handling restraint 424, item 2, resonance(s) ' .8.HB12' (nmrStar names) not linked" c30642_6pv1 1 36 2 424 1 "Not handling restraint 424, item 3, resonance(s) ' .8.HB11' (nmrStar names) not linked" c30642_6pv1 1 37 2 424 1 "Not handling restraint 424, item 4, resonance(s) ' .8.HB13' (nmrStar names) not linked" c30642_6pv1 1 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_3 _Gen_dist_constraint_list.Entry_ID c30642_6pv1 _Gen_dist_constraint_list.ID 2 _Gen_dist_constraint_list.Constraint_type 'hydrogen bond' _Gen_dist_constraint_list.Details 'Generated by Wattos' _Gen_dist_constraint_list.Constraint_file_ID 1 _Gen_dist_constraint_list.Block_ID 3 loop_ _Gen_dist_constraint_software.Software_ID _Gen_dist_constraint_software.Software_label _Gen_dist_constraint_software.Method_ID _Gen_dist_constraint_software.Method_label _Gen_dist_constraint_software.Entry_ID _Gen_dist_constraint_software.Gen_dist_constraint_list_ID . . . . c30642_6pv1 2 stop_ loop_ _Gen_dist_constraint.ID _Gen_dist_constraint.Member_ID _Gen_dist_constraint.Member_logic_code _Gen_dist_constraint.Assembly_atom_ID_1 _Gen_dist_constraint.Entity_assembly_ID_1 _Gen_dist_constraint.Entity_ID_1 _Gen_dist_constraint.Comp_index_ID_1 _Gen_dist_constraint.Seq_ID_1 _Gen_dist_constraint.Comp_ID_1 _Gen_dist_constraint.Atom_ID_1 _Gen_dist_constraint.Atom_type_1 _Gen_dist_constraint.Atom_isotope_number_1 _Gen_dist_constraint.Resonance_ID_1 _Gen_dist_constraint.Assembly_atom_ID_2 _Gen_dist_constraint.Entity_assembly_ID_2 _Gen_dist_constraint.Entity_ID_2 _Gen_dist_constraint.Comp_index_ID_2 _Gen_dist_constraint.Seq_ID_2 _Gen_dist_constraint.Comp_ID_2 _Gen_dist_constraint.Atom_ID_2 _Gen_dist_constraint.Atom_type_2 _Gen_dist_constraint.Atom_isotope_number_2 _Gen_dist_constraint.Resonance_ID_2 _Gen_dist_constraint.Intensity_val _Gen_dist_constraint.Intensity_lower_val_err _Gen_dist_constraint.Intensity_upper_val_err _Gen_dist_constraint.Distance_val _Gen_dist_constraint.Distance_lower_bound_val _Gen_dist_constraint.Distance_upper_bound_val _Gen_dist_constraint.Contribution_fractional_val _Gen_dist_constraint.Spectral_peak_ID _Gen_dist_constraint.Spectral_peak_list_ID _Gen_dist_constraint.PDB_record_ID_1 _Gen_dist_constraint.PDB_model_num_1 _Gen_dist_constraint.PDB_strand_ID_1 _Gen_dist_constraint.PDB_ins_code_1 _Gen_dist_constraint.PDB_residue_no_1 _Gen_dist_constraint.PDB_residue_name_1 _Gen_dist_constraint.PDB_atom_name_1 _Gen_dist_constraint.PDB_record_ID_2 _Gen_dist_constraint.PDB_model_num_2 _Gen_dist_constraint.PDB_strand_ID_2 _Gen_dist_constraint.PDB_ins_code_2 _Gen_dist_constraint.PDB_residue_no_2 _Gen_dist_constraint.PDB_residue_name_2 _Gen_dist_constraint.PDB_atom_name_2 _Gen_dist_constraint.Auth_entity_assembly_ID_1 _Gen_dist_constraint.Auth_asym_ID_1 _Gen_dist_constraint.Auth_chain_ID_1 _Gen_dist_constraint.Auth_seq_ID_1 _Gen_dist_constraint.Auth_comp_ID_1 _Gen_dist_constraint.Auth_atom_ID_1 _Gen_dist_constraint.Auth_alt_ID_1 _Gen_dist_constraint.Auth_atom_name_1 _Gen_dist_constraint.Auth_entity_assembly_ID_2 _Gen_dist_constraint.Auth_asym_ID_2 _Gen_dist_constraint.Auth_chain_ID_2 _Gen_dist_constraint.Auth_seq_ID_2 _Gen_dist_constraint.Auth_comp_ID_2 _Gen_dist_constraint.Auth_atom_ID_2 _Gen_dist_constraint.Auth_alt_ID_2 _Gen_dist_constraint.Auth_atom_name_2 _Gen_dist_constraint.Entry_ID _Gen_dist_constraint.Gen_dist_constraint_list_ID 1 1 . . 1 1 3 3 PHE H H . . . 1 1 14 14 PHE O O . . . . . 1.9 1.8 2.0 . . . . . A . 3 PHE H . . A . 14 PHE O . . . 3 . HN . . . . . 14 . O . . c30642_6pv1 2 2 1 . . 1 1 14 14 PHE O O . . . 1 1 3 3 PHE N N . . . . . 2.9 2.7 3.1 . . . . . A . 14 PHE O . . A . 3 PHE N . . . 14 . O . . . . . 3 . N . . c30642_6pv1 2 3 1 . . 1 1 14 14 PHE H H . . . 1 1 3 3 PHE O O . . . . . 1.9 1.8 2.0 . . . . . A . 14 PHE H . . A . 3 PHE O . . . 14 . HN . . . . . 3 . O . . c30642_6pv1 2 4 1 . . 1 1 3 3 PHE O O . . . 1 1 14 14 PHE N N . . . . . 2.9 2.7 3.1 . . . . . A . 3 PHE O . . A . 14 PHE N . . . 3 . O . . . . . 14 . N . . c30642_6pv1 2 5 1 . . 1 1 5 5 CYS H H . . . 1 1 12 12 LYS O O . . . . . 1.9 1.8 2.0 . . . . . A . 5 CYS H . . A . 12 LYS O . . . 5 . HN . . . . . 12 . O . . c30642_6pv1 2 6 1 . . 1 1 12 12 LYS O O . . . 1 1 5 5 CYS N N . . . . . 2.9 2.7 3.1 . . . . . A . 12 LYS O . . A . 5 CYS N . . . 12 . O . . . . . 5 . N . . c30642_6pv1 2 7 1 . . 1 1 11 11 GLY H H . . . 1 1 5 5 CYS O O . . . . . 1.9 1.8 2.0 . . . . . A . 11 GLY H . . A . 5 CYS O . . . 11 . HN . . . . . 5 . O . . c30642_6pv1 2 8 1 . . 1 1 5 5 CYS O O . . . 1 1 11 11 GLY N N . . . . . 2.9 2.7 3.1 . . . . . A . 5 CYS O . . A . 11 GLY N . . . 5 . O . . . . . 11 . N . . c30642_6pv1 2 9 1 . . 1 1 5 5 CYS H H . . . 1 1 12 12 LYS O O . . . . . 1.9 1.8 2.0 . . . . . A . 5 CYS H . . A . 12 LYS O . . . 5 . HN . . . . . 12 . O . . c30642_6pv1 2 10 1 . . 1 1 12 12 LYS O O . . . 1 1 5 5 CYS N N . . . . . 2.9 2.7 3.1 . . . . . A . 12 LYS O . . A . 5 CYS N . . . 12 . O . . . . . 5 . N . . c30642_6pv1 2 11 1 . . 1 1 20 20 LEU H H . . . 1 1 16 16 ARG O O . . . . . 1.9 1.8 2.0 . . . . . A . 20 LEU H . . A . 16 ARG O . . . 20 . HN . . . . . 16 . O . . c30642_6pv1 2 12 1 . . 1 1 16 16 ARG O O . . . 1 1 20 20 LEU N N . . . . . 2.9 2.7 3.1 . . . . . A . 16 ARG O . . A . 20 LEU N . . . 16 . O . . . . . 20 . N . . c30642_6pv1 2 13 1 . . 1 1 21 21 GLN H H . . . 1 1 17 17 SER O O . . . . . 1.9 1.8 2.0 . . . . . A . 21 GLN H . . A . 17 SER O . . . 21 . HN . . . . . 17 . O . . c30642_6pv1 2 14 1 . . 1 1 17 17 SER O O . . . 1 1 21 21 GLN N N . . . . . 2.9 2.7 3.1 . . . . . A . 17 SER O . . A . 21 GLN N . . . 17 . O . . . . . 21 . N . . c30642_6pv1 2 15 1 . . 1 1 22 22 ARG H H . . . 1 1 18 18 ASP O O . . . . . 1.9 1.8 2.0 . . . . . A . 22 ARG H . . A . 18 ASP O . . . 22 . HN . . . . . 18 . O . . c30642_6pv1 2 16 1 . . 1 1 18 18 ASP O O . . . 1 1 22 22 ARG N N . . . . . 2.9 2.7 3.1 . . . . . A . 18 ASP O . . A . 22 ARG N . . . 18 . O . . . . . 22 . N . . c30642_6pv1 2 17 1 . . 1 1 23 23 HIS H H . . . 1 1 19 19 GLU O O . . . . . 1.9 1.8 2.0 . . . . . A . 23 HIS H . . A . 19 GLU O . . . 23 . HN . . . . . 19 . O . . c30642_6pv1 2 18 1 . . 1 1 19 19 GLU O O . . . 1 1 23 23 HIS N N . . . . . 2.9 2.7 3.1 . . . . . A . 19 GLU O . . A . 23 HIS N . . . 19 . O . . . . . 23 . N . . c30642_6pv1 2 19 1 . . 1 1 24 24 LYS H H . . . 1 1 20 20 LEU O O . . . . . 1.9 1.8 2.0 . . . . . A . 24 LYS H . . A . 20 LEU O . . . 24 . HN . . . . . 20 . O . . c30642_6pv1 2 20 1 . . 1 1 20 20 LEU O O . . . 1 1 24 24 LYS N N . . . . . 2.9 2.7 3.1 . . . . . A . 20 LEU O . . A . 24 LYS N . . . 20 . O . . . . . 24 . N . . c30642_6pv1 2 21 1 . . 1 1 25 25 ARG H H . . . 1 1 21 21 GLN O O . . . . . 1.9 1.8 2.0 . . . . . A . 25 ARG H . . A . 21 GLN O . . . 25 . HN . . . . . 21 . O . . c30642_6pv1 2 22 1 . . 1 1 21 21 GLN O O . . . 1 1 25 25 ARG N N . . . . . 2.9 2.7 3.1 . . . . . A . 21 GLN O . . A . 25 ARG N . . . 21 . O . . . . . 25 . N . . c30642_6pv1 2 23 1 . . 1 1 25 25 ARG H H . . . 1 1 22 22 ARG O O . . . . . 1.9 1.8 2.0 . . . . . A . 25 ARG H . . A . 22 ARG O . . . 25 . HN . . . . . 22 . O . . c30642_6pv1 2 24 1 . . 1 1 25 25 ARG N N . . . 1 1 22 22 ARG O O . . . . . 2.9 2.7 3.1 . . . . . A . 25 ARG N . . A . 22 ARG O . . . 25 . N . . . . . 22 . O . . c30642_6pv1 2 25 1 . . 1 1 26 26 THR H H . . . 1 1 23 23 HIS O O . . . . . 1.9 1.8 2.0 . . . . . A . 26 THR H . . A . 23 HIS O . . . 26 . HN . . . . . 23 . O . . c30642_6pv1 2 26 1 . . 1 1 23 23 HIS O O . . . 1 1 26 26 THR N N . . . . . 2.9 2.7 3.1 . . . . . A . 23 HIS O . . A . 26 THR N . . . 23 . O . . . . . 26 . N . . c30642_6pv1 2 27 1 . . 1 1 27 27 HIS H H . . . 1 1 24 24 LYS O O . . . . . 1.9 1.8 2.0 . . . . . A . 27 HIS H . . A . 24 LYS O . . . 27 . HN . . . . . 24 . O . . c30642_6pv1 2 28 1 . . 1 1 24 24 LYS O O . . . 1 1 27 27 HIS N N . . . . . 2.9 2.7 3.1 . . . . . A . 24 LYS O . . A . 27 HIS N . . . 24 . O . . . . . 27 . N . . c30642_6pv1 2 29 1 . . 1 1 28 28 THR H H . . . 1 1 24 24 LYS O O . . . . . 1.9 1.8 2.0 . . . . . A . 28 THR H . . A . 24 LYS O . . . 28 . HN . . . . . 24 . O . . c30642_6pv1 2 30 1 . . 1 1 24 24 LYS O O . . . 1 1 28 28 THR N N . . . . . 2.9 2.7 3.1 . . . . . A . 24 LYS O . . A . 28 THR N . . . 24 . O . . . . . 28 . N . . c30642_6pv1 2 stop_ loop_ _Gen_dist_constraint_comment_org.ID _Gen_dist_constraint_comment_org.Comment_text _Gen_dist_constraint_comment_org.Comment_begin_line _Gen_dist_constraint_comment_org.Comment_begin_column _Gen_dist_constraint_comment_org.Comment_end_line _Gen_dist_constraint_comment_org.Comment_end_column _Gen_dist_constraint_comment_org.Entry_ID _Gen_dist_constraint_comment_org.Gen_dist_constraint_list_ID 1 hairpin 2 1 2 9 c30642_6pv1 2 2 helix 15 1 15 7 c30642_6pv1 2 stop_ loop_ _Gen_dist_constraint_parse_err.ID _Gen_dist_constraint_parse_err.Content _Gen_dist_constraint_parse_err.Begin_line _Gen_dist_constraint_parse_err.Begin_column _Gen_dist_constraint_parse_err.End_line _Gen_dist_constraint_parse_err.End_column _Gen_dist_constraint_parse_err.Entry_ID _Gen_dist_constraint_parse_err.Gen_dist_constraint_list_ID 1 '# Restraints file 3: wsh2031_hbonds_v2.tbl' 1 1 1 42 c30642_6pv1 2 stop_ save_ save_CNS/XPLOR_dihedral_4 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Sf_framecode CNS/XPLOR_dihedral_4 _Torsion_angle_constraint_list.Entry_ID c30642_6pv1 _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Details 'Generated by Wattos' _Torsion_angle_constraint_list.Constraint_file_ID 1 _Torsion_angle_constraint_list.Block_ID 4 loop_ _Torsion_angle_constraint_software.Software_ID _Torsion_angle_constraint_software.Software_label _Torsion_angle_constraint_software.Method_ID _Torsion_angle_constraint_software.Method_label _Torsion_angle_constraint_software.Entry_ID _Torsion_angle_constraint_software.Torsion_angle_constraint_list_ID . . . . c30642_6pv1 1 stop_ loop_ _Torsion_angle_constraint.ID _Torsion_angle_constraint.Torsion_angle_name _Torsion_angle_constraint.Assembly_atom_ID_1 _Torsion_angle_constraint.Entity_assembly_ID_1 _Torsion_angle_constraint.Entity_ID_1 _Torsion_angle_constraint.Comp_index_ID_1 _Torsion_angle_constraint.Seq_ID_1 _Torsion_angle_constraint.Comp_ID_1 _Torsion_angle_constraint.Atom_ID_1 _Torsion_angle_constraint.Atom_type_1 _Torsion_angle_constraint.Resonance_ID_1 _Torsion_angle_constraint.Assembly_atom_ID_2 _Torsion_angle_constraint.Entity_assembly_ID_2 _Torsion_angle_constraint.Entity_ID_2 _Torsion_angle_constraint.Comp_index_ID_2 _Torsion_angle_constraint.Seq_ID_2 _Torsion_angle_constraint.Comp_ID_2 _Torsion_angle_constraint.Atom_ID_2 _Torsion_angle_constraint.Atom_type_2 _Torsion_angle_constraint.Resonance_ID_2 _Torsion_angle_constraint.Assembly_atom_ID_3 _Torsion_angle_constraint.Entity_assembly_ID_3 _Torsion_angle_constraint.Entity_ID_3 _Torsion_angle_constraint.Comp_index_ID_3 _Torsion_angle_constraint.Seq_ID_3 _Torsion_angle_constraint.Comp_ID_3 _Torsion_angle_constraint.Atom_ID_3 _Torsion_angle_constraint.Atom_type_3 _Torsion_angle_constraint.Resonance_ID_3 _Torsion_angle_constraint.Assembly_atom_ID_4 _Torsion_angle_constraint.Entity_assembly_ID_4 _Torsion_angle_constraint.Entity_ID_4 _Torsion_angle_constraint.Comp_index_ID_4 _Torsion_angle_constraint.Seq_ID_4 _Torsion_angle_constraint.Comp_ID_4 _Torsion_angle_constraint.Atom_ID_4 _Torsion_angle_constraint.Atom_type_4 _Torsion_angle_constraint.Resonance_ID_4 _Torsion_angle_constraint.Angle_lower_bound_val _Torsion_angle_constraint.Angle_upper_bound_val _Torsion_angle_constraint.Source_experiment_ID _Torsion_angle_constraint.PDB_record_ID_1 _Torsion_angle_constraint.PDB_model_num_1 _Torsion_angle_constraint.PDB_strand_ID_1 _Torsion_angle_constraint.PDB_ins_code_1 _Torsion_angle_constraint.PDB_residue_no_1 _Torsion_angle_constraint.PDB_residue_name_1 _Torsion_angle_constraint.PDB_atom_name_1 _Torsion_angle_constraint.PDB_record_ID_2 _Torsion_angle_constraint.PDB_model_num_2 _Torsion_angle_constraint.PDB_strand_ID_2 _Torsion_angle_constraint.PDB_ins_code_2 _Torsion_angle_constraint.PDB_residue_no_2 _Torsion_angle_constraint.PDB_residue_name_2 _Torsion_angle_constraint.PDB_atom_name_2 _Torsion_angle_constraint.PDB_record_ID_3 _Torsion_angle_constraint.PDB_model_num_3 _Torsion_angle_constraint.PDB_strand_ID_3 _Torsion_angle_constraint.PDB_ins_code_3 _Torsion_angle_constraint.PDB_residue_no_3 _Torsion_angle_constraint.PDB_residue_name_3 _Torsion_angle_constraint.PDB_atom_name_3 _Torsion_angle_constraint.PDB_record_ID_4 _Torsion_angle_constraint.PDB_model_num_4 _Torsion_angle_constraint.PDB_strand_ID_4 _Torsion_angle_constraint.PDB_ins_code_4 _Torsion_angle_constraint.PDB_residue_no_4 _Torsion_angle_constraint.PDB_residue_name_4 _Torsion_angle_constraint.PDB_atom_name_4 _Torsion_angle_constraint.Auth_entity_assembly_ID_1 _Torsion_angle_constraint.Auth_asym_ID_1 _Torsion_angle_constraint.Auth_chain_ID_1 _Torsion_angle_constraint.Auth_seq_ID_1 _Torsion_angle_constraint.Auth_comp_ID_1 _Torsion_angle_constraint.Auth_atom_ID_1 _Torsion_angle_constraint.Auth_alt_ID_1 _Torsion_angle_constraint.Auth_atom_name_1 _Torsion_angle_constraint.Auth_entity_assembly_ID_2 _Torsion_angle_constraint.Auth_asym_ID_2 _Torsion_angle_constraint.Auth_chain_ID_2 _Torsion_angle_constraint.Auth_seq_ID_2 _Torsion_angle_constraint.Auth_comp_ID_2 _Torsion_angle_constraint.Auth_atom_ID_2 _Torsion_angle_constraint.Auth_alt_ID_2 _Torsion_angle_constraint.Auth_atom_name_2 _Torsion_angle_constraint.Auth_entity_assembly_ID_3 _Torsion_angle_constraint.Auth_asym_ID_3 _Torsion_angle_constraint.Auth_chain_ID_3 _Torsion_angle_constraint.Auth_seq_ID_3 _Torsion_angle_constraint.Auth_comp_ID_3 _Torsion_angle_constraint.Auth_atom_ID_3 _Torsion_angle_constraint.Auth_alt_ID_3 _Torsion_angle_constraint.Auth_atom_name_3 _Torsion_angle_constraint.Auth_entity_assembly_ID_4 _Torsion_angle_constraint.Auth_asym_ID_4 _Torsion_angle_constraint.Auth_chain_ID_4 _Torsion_angle_constraint.Auth_seq_ID_4 _Torsion_angle_constraint.Auth_comp_ID_4 _Torsion_angle_constraint.Auth_atom_ID_4 _Torsion_angle_constraint.Auth_alt_ID_4 _Torsion_angle_constraint.Auth_atom_name_4 _Torsion_angle_constraint.Entry_ID _Torsion_angle_constraint.Torsion_angle_constraint_list_ID 1 . . 1 1 2 2 PRO C C . . 1 1 3 3 PHE N N . . 1 1 3 3 PHE CA C . . 1 1 3 3 PHE C C . -160.0 -80.0 . . . A . 2 PRO C . . A . 3 PHE N . . A . 3 PHE CA . . A . 3 PHE C . . . 2 . C . . . . . 3 . N . . . . . 3 . CA . . . . . 3 . C . . c30642_6pv1 1 2 . . 1 1 4 4 NLE C C . . 1 1 5 5 CYS N N . . 1 1 5 5 CYS CA C . . 1 1 5 5 CYS C C . -90.0 -40.0 . . . A . 4 NLE C . . A . 5 CYS N . . A . 5 CYS CA . . A . 5 CYS C . . . 4 . C . . . . . 5 . N . . . . . 5 . CA . . . . . 5 . C . . c30642_6pv1 1 3 . . 1 1 6 6 THR C C . . 1 1 7 7 TRP N N . . 1 1 7 7 TRP CA C . . 1 1 7 7 TRP C C . -90.0 -40.0 . . . A . 6 THR C . . A . 7 TRP N . . A . 7 TRP CA . . A . 7 TRP C . . . 6 . C . . . . . 7 . N . . . . . 7 . CA . . . . . 7 . C . . c30642_6pv1 1 4 . . 1 1 11 11 GLY C C . . 1 1 12 12 LYS N N . . 1 1 12 12 LYS CA C . . 1 1 12 12 LYS C C . -90.0 -40.0 . . . A . 11 GLY C . . A . 12 LYS N . . A . 12 LYS CA . . A . 12 LYS C . . . 11 . C . . . . . 12 . N . . . . . 12 . CA . . . . . 12 . C . . c30642_6pv1 1 5 . . 1 1 12 12 LYS C C . . 1 1 13 13 ARG N N . . 1 1 13 13 ARG CA C . . 1 1 13 13 ARG C C . -160.0 -80.0 . . . A . 12 LYS C . . A . 13 ARG N . . A . 13 ARG CA . . A . 13 ARG C . . . 12 . C . . . . . 13 . N . . . . . 13 . CA . . . . . 13 . C . . c30642_6pv1 1 6 . . 1 1 13 13 ARG C C . . 1 1 14 14 PHE N N . . 1 1 14 14 PHE CA C . . 1 1 14 14 PHE C C . -160.0 -80.0 . . . A . 13 ARG C . . A . 14 PHE N . . A . 14 PHE CA . . A . 14 PHE C . . . 13 . C . . . . . 14 . N . . . . . 14 . CA . . . . . 14 . C . . c30642_6pv1 1 7 . . 1 1 14 14 PHE C C . . 1 1 15 15 THR N N . . 1 1 15 15 THR CA C . . 1 1 15 15 THR C C . -160.0 -80.0 . . . A . 14 PHE C . . A . 15 THR N . . A . 15 THR CA . . A . 15 THR C . . . 14 . C . . . . . 15 . N . . . . . 15 . CA . . . . . 15 . C . . c30642_6pv1 1 8 . . 1 1 15 15 THR C C . . 1 1 16 16 ARG N N . . 1 1 16 16 ARG CA C . . 1 1 16 16 ARG C C . -160.0 -80.0 . . . A . 15 THR C . . A . 16 ARG N . . A . 16 ARG CA . . A . 16 ARG C . . . 15 . C . . . . . 16 . N . . . . . 16 . CA . . . . . 16 . C . . c30642_6pv1 1 9 . . 1 1 18 18 ASP C C . . 1 1 19 19 GLU N N . . 1 1 19 19 GLU CA C . . 1 1 19 19 GLU C C . -90.0 -40.0 . . . A . 18 ASP C . . A . 19 GLU N . . A . 19 GLU CA . . A . 19 GLU C . . . 18 . C . . . . . 19 . N . . . . . 19 . CA . . . . . 19 . C . . c30642_6pv1 1 10 . . 1 1 19 19 GLU C C . . 1 1 20 20 LEU N N . . 1 1 20 20 LEU CA C . . 1 1 20 20 LEU C C . -90.0 -40.0 . . . A . 19 GLU C . . A . 20 LEU N . . A . 20 LEU CA . . A . 20 LEU C . . . 19 . C . . . . . 20 . N . . . . . 20 . CA . . . . . 20 . C . . c30642_6pv1 1 11 . . 1 1 20 20 LEU C C . . 1 1 21 21 GLN N N . . 1 1 21 21 GLN CA C . . 1 1 21 21 GLN C C . -90.0 -40.0 . . . A . 20 LEU C . . A . 21 GLN N . . A . 21 GLN CA . . A . 21 GLN C . . . 20 . C . . . . . 21 . N . . . . . 21 . CA . . . . . 21 . C . . c30642_6pv1 1 12 . . 1 1 22 22 ARG C C . . 1 1 23 23 HIS N N . . 1 1 23 23 HIS CA C . . 1 1 23 23 HIS C C . -90.0 -40.0 . . . A . 22 ARG C . . A . 23 HIS N . . A . 23 HIS CA . . A . 23 HIS C . . . 22 . C . . . . . 23 . N . . . . . 23 . CA . . . . . 23 . C . . c30642_6pv1 1 13 . . 1 1 24 24 LYS C C . . 1 1 25 25 ARG N N . . 1 1 25 25 ARG CA C . . 1 1 25 25 ARG C C . -90.0 -40.0 . . . A . 24 LYS C . . A . 25 ARG N . . A . 25 ARG CA . . A . 25 ARG C . . . 24 . C . . . . . 25 . N . . . . . 25 . CA . . . . . 25 . C . . c30642_6pv1 1 stop_ loop_ _TA_constraint_comment_org.ID _TA_constraint_comment_org.Comment_text _TA_constraint_comment_org.Comment_begin_line _TA_constraint_comment_org.Comment_begin_column _TA_constraint_comment_org.Comment_end_line _TA_constraint_comment_org.Comment_end_column _TA_constraint_comment_org.Entry_ID _TA_constraint_comment_org.Torsion_angle_constraint_list_ID 1 ; Phi angle constraints F3 ; 2 1 4 4 c30642_6pv1 1 2 C5 7 1 7 4 c30642_6pv1 1 3 W7 10 1 10 4 c30642_6pv1 1 4 K12 13 1 13 5 c30642_6pv1 1 5 R13 16 1 16 5 c30642_6pv1 1 6 F14 19 1 19 5 c30642_6pv1 1 7 T15 22 1 22 5 c30642_6pv1 1 8 R16 25 1 25 5 c30642_6pv1 1 9 E19 28 1 28 5 c30642_6pv1 1 10 L20 31 1 31 5 c30642_6pv1 1 11 L21 34 1 34 5 c30642_6pv1 1 12 H23 37 1 37 5 c30642_6pv1 1 13 R25 40 1 40 5 c30642_6pv1 1 stop_ loop_ _TA_constraint_parse_err.ID _TA_constraint_parse_err.Content _TA_constraint_parse_err.Begin_line _TA_constraint_parse_err.Begin_column _TA_constraint_parse_err.End_line _TA_constraint_parse_err.End_column _TA_constraint_parse_err.Entry_ID _TA_constraint_parse_err.Torsion_angle_constraint_list_ID 1 '# Restraints file 4: wsh2031_dihedrals.tbl' 1 1 1 42 c30642_6pv1 1 stop_ save_ save_MR_file_comment_1 _Org_constr_file_comment.Sf_framecode MR_file_comment_1 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID c30642_6pv1 _Org_constr_file_comment.ID 1 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 1 _Org_constr_file_comment.Details 'Generated by Wattos' _Org_constr_file_comment.Comment '*HEADER DNA BINDING PROTEIN 19-JUL-19 6PV1 *TITLE BACKBONE-MODIFIED VARIANT OF ZINC FINGER 2 FROM THE TRANSCRIPTION *TITLE 2 FACTOR SP1 DNA BINDING DOMAIN: AIB IN THE METAL-BINDING TURN *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: TRANSCRIPTION FACTOR SP1; *COMPND 3 CHAIN: A; *COMPND 4 FRAGMENT: DNA-BINDING DOMAIN, ZINC FINGER 2 RESIDUES 654-684; *COMPND 5 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 ORGANISM_SCIENTIFIC: HOMO SAPIENS; *SOURCE 4 ORGANISM_COMMON: HUMAN; *SOURCE 5 ORGANISM_TAXID: 9606 *KEYWDS ZINC FINGER, PROTEOMIMETIC, FOLDAMER, DNA BINDING PROTEIN *EXPDTA SOLUTION NMR *NUMMDL 10 *AUTHOR S.R.RAO,W.S.HORNE *REVDAT 1 24-JUN-20 6PV1 0' save_