data_c30498_6e5j ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID c30498_6e5j _Entry.Title ; Heterogeneous-Backbone Mimics of a Designed Disulfide-Rich Protein: Aib turn, beta3 helix, N-methyl hairpin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-07-20 _Entry.Accession_date 2018-07-20 _Entry.Last_release_date 2018-07-31 _Entry.Original_release_date 2018-07-31 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _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' c30498_6e5j 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 C. Cabalteja C. C. . . c30498_6e5j 2 D. Mihalko D. S. . . c30498_6e5j 3 W. Horne W. S. . . c30498_6e5j stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'DE NOVO PROTEIN' . c30498_6e5j 'heterogeneous backbone foldamer' . c30498_6e5j stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 c30498_6e5j stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 177 c30498_6e5j 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 . . 2018-11-12 . original BMRB . c30498_6e5j stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6E5J . c30498_6e5j stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID c30498_6e5j _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 30326175 _Citation.Full_citation . _Citation.Title ; Heterogeneous-Backbone Foldamer Mimics of a Computationally Designed, Disulfide-Rich Miniprotein ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Chembiochem. _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 2018 _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 C. Cabalteja C. C. . . c30498_6e5j 1 2 D. Mihalko D. S. . . c30498_6e5j 1 3 W. Horne W. S. . . c30498_6e5j 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID c30498_6e5j _Assembly.ID 1 _Assembly.Name 'Designed peptide NC_HEE_D1: Aib turn, beta3 helix, N-methyl hairpin mutant' _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 . . . . . . c30498_6e5j 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 disulfide single . 1 . 1 CYS 4 4 SG . 1 . 1 CYS 18 18 SG . . . . . . . . . . . . c30498_6e5j 1 2 disulfide single . 1 . 1 CYS 14 14 SG . 1 . 1 CYS 27 27 SG . . . . . . . . . . . . c30498_6e5j 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID c30498_6e5j _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 ; NDXCKXLKXRYXGCEXRCDX PRYEXHCX ; _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 28 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method syn _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 3328.933 _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 . ASN . c30498_6e5j 1 2 . ASP . c30498_6e5j 1 3 . B3K . c30498_6e5j 1 4 . CYS . c30498_6e5j 1 5 . LYS . c30498_6e5j 1 6 . B3E . c30498_6e5j 1 7 . LEU . c30498_6e5j 1 8 . LYS . c30498_6e5j 1 9 . B3K . c30498_6e5j 1 10 . ARG . c30498_6e5j 1 11 . TYR . c30498_6e5j 1 12 . AIB . c30498_6e5j 1 13 . GLY . c30498_6e5j 1 14 . CYS . c30498_6e5j 1 15 . GLU . c30498_6e5j 1 16 . MVA . c30498_6e5j 1 17 . ARG . c30498_6e5j 1 18 . CYS . c30498_6e5j 1 19 . ASP . c30498_6e5j 1 20 . DPR . c30498_6e5j 1 21 . PRO . c30498_6e5j 1 22 . ARG . c30498_6e5j 1 23 . TYR . c30498_6e5j 1 24 . GLU . c30498_6e5j 1 25 . MVA . c30498_6e5j 1 26 . HIS . c30498_6e5j 1 27 . CYS . c30498_6e5j 1 28 . NH2 . c30498_6e5j 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 . ASN 1 1 c30498_6e5j 1 . ASP 2 2 c30498_6e5j 1 . B3K 3 3 c30498_6e5j 1 . CYS 4 4 c30498_6e5j 1 . LYS 5 5 c30498_6e5j 1 . B3E 6 6 c30498_6e5j 1 . LEU 7 7 c30498_6e5j 1 . LYS 8 8 c30498_6e5j 1 . B3K 9 9 c30498_6e5j 1 . ARG 10 10 c30498_6e5j 1 . TYR 11 11 c30498_6e5j 1 . AIB 12 12 c30498_6e5j 1 . GLY 13 13 c30498_6e5j 1 . CYS 14 14 c30498_6e5j 1 . GLU 15 15 c30498_6e5j 1 . MVA 16 16 c30498_6e5j 1 . ARG 17 17 c30498_6e5j 1 . CYS 18 18 c30498_6e5j 1 . ASP 19 19 c30498_6e5j 1 . DPR 20 20 c30498_6e5j 1 . PRO 21 21 c30498_6e5j 1 . ARG 22 22 c30498_6e5j 1 . TYR 23 23 c30498_6e5j 1 . GLU 24 24 c30498_6e5j 1 . MVA 25 25 c30498_6e5j 1 . HIS 26 26 c30498_6e5j 1 . CYS 27 27 c30498_6e5j 1 . NH2 28 28 c30498_6e5j 1 stop_ save_ #################### # Natural source # #################### 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 c30498_6e5j _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 . 32630 'no natural source' . 'synthetic construct' . . . . . . . . . . . . . . . . . . . . c30498_6e5j 1 stop_ save_ ######################### # Experimental source # ######################### 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 c30498_6e5j _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' . . . . . . . . . . . . . . . . c30498_6e5j 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_B3E _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_B3E _Chem_comp.Entry_ID c30498_6e5j _Chem_comp.ID B3E _Chem_comp.Provenance PDB _Chem_comp.Name '(3S)-3-AMINOHEXANEDIOIC ACID' _Chem_comp.Type 'L-PEPTIDE LINKING' _Chem_comp.BMRB_code B3E _Chem_comp.PDB_code B3E _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 E _Chem_comp.Three_letter_code B3E _Chem_comp.Number_atoms_all 22 _Chem_comp.Number_atoms_nh 11 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C6H11NO4/c7-4(3-6(10)11)1-2-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)/t4-/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 GLU _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 H11 N O4' _Chem_comp.Formula_weight 161.156 _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 V1.4.2' _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 C(CC(=O)O)C(CC(=O)O)N SMILES 'OpenEye OEToolkits' 1.5.0 c30498_6e5j B3E C(CC(=O)O)[C@@H](CC(=O)O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 c30498_6e5j B3E InChI=1S/C6H11NO4/c7-4(3-6(10)11)1-2-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)/t4-/m0/s1 InChI InChI 1.03 c30498_6e5j B3E N[C@@H](CCC(O)=O)CC(O)=O SMILES_CANONICAL CACTVS 3.341 c30498_6e5j B3E N[CH](CCC(O)=O)CC(O)=O SMILES CACTVS 3.341 c30498_6e5j B3E O=C(O)CCC(N)CC(=O)O SMILES ACDLabs 10.04 c30498_6e5j B3E XABCFXXGZPWJQP-BYPYZUCNSA-N InChIKey InChI 1.03 c30498_6e5j B3E 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 '(3S)-3-aminohexanedioic acid' 'SYSTEMATIC NAME' ACDLabs 10.04 c30498_6e5j B3E '(3S)-3-aminohexanedioic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 c30498_6e5j B3E 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 . . . . -3.923 . -5.219 . 3.478 . 1.125 -1.960 0.018 1 . c30498_6e5j B3E CB CB CB CB . C . . S 0 . . . 1 no no . . . . -3.635 . -6.488 . 4.152 . 0.951 -3.339 0.484 2 . c30498_6e5j B3E CG CG CG CG . C . . N 0 . . . 1 no no . . . . -4.245 . -7.630 . 3.355 . -0.437 -3.867 0.064 3 . c30498_6e5j B3E CD CD CD CD . C . . N 0 . . . 1 no no . . . . -5.158 . -8.465 . 4.254 . -1.615 -3.035 0.586 4 . c30498_6e5j B3E CE CE CE CE . C . . N 0 . . . 1 no no . . . . -6.560 . -8.661 . 3.678 . -2.962 -3.617 0.219 5 . c30498_6e5j B3E OF2 OF2 OF2 OF2 . O . . N 0 . . . 1 no no . . . . -6.699 . -8.336 . 2.482 . -3.144 -4.607 -0.476 6 . c30498_6e5j B3E OF1 OF1 OF1 OF1 . O . . N 0 . . . 1 no no . . . . -7.497 . -9.153 . 4.407 . -3.978 -2.912 0.783 7 . c30498_6e5j B3E CA CA CA CA . C . . N 0 . . . 1 no no . . . . -2.148 . -6.708 . 4.216 . 2.081 -4.205 -0.091 8 . c30498_6e5j B3E C C C C . C . . N 0 . . . 1 no no . . . . -1.505 . -6.023 . 5.372 . 2.014 -5.633 0.387 9 . c30498_6e5j B3E O O O O . O . . N 0 . . . 1 no no . . . . -1.810 . -6.392 . 6.483 . 1.521 -5.989 1.448 10 . c30498_6e5j B3E OXT OXT OXT OXT . O . . N 0 . . . 1 no yes . . . . -0.614 . -5.064 . 5.099 . 2.583 -6.478 -0.507 11 . c30498_6e5j B3E H H H 1HN . H . . N 0 . . . 1 no no . . . . -3.989 . -4.488 . 4.157 . 1.909 -1.451 0.356 12 . c30498_6e5j B3E H2 H2 H2 2HN . H . . N 0 . . . 1 no yes . . . . -3.188 . -5.010 . 2.833 . 0.358 -1.528 -0.445 13 . c30498_6e5j B3E HB HB HB HB . H . . N 0 . . . 1 no no . . . . -4.056 . -6.454 . 5.168 . 1.021 -3.334 1.578 14 . c30498_6e5j B3E HG2 HG2 HG2 1HG . H . . N 0 . . . 1 no no . . . . -4.833 . -7.218 . 2.521 . -0.498 -3.917 -1.030 15 . c30498_6e5j B3E HG3 HG3 HG3 2HG . H . . N 0 . . . 1 no no . . . . -3.439 . -8.269 . 2.964 . -0.557 -4.897 0.426 16 . c30498_6e5j B3E HD2 HD2 HD2 1HD . H . . N 0 . . . 1 no no . . . . -4.699 . -9.456 . 4.385 . -1.554 -2.008 0.213 17 . c30498_6e5j B3E HD3 HD3 HD3 2HD . H . . N 0 . . . 1 no no . . . . -5.267 . -7.922 . 5.204 . -1.565 -3.007 1.681 18 . c30498_6e5j B3E HOF1 HOF1 HOF1 HOF1 . H . . N 0 . . . 0 no no . . . . -8.293 . -9.225 . 3.894 . -4.877 -3.256 0.593 19 . c30498_6e5j B3E HA1 HA1 HA1 1HA . H . . N 0 . . . 1 no no . . . . -1.963 . -7.788 . 4.309 . 2.048 -4.228 -1.188 20 . c30498_6e5j B3E HA2 HA2 HA2 2HA . H . . N 0 . . . 1 no no . . . . -1.712 . -6.286 . 3.298 . 3.064 -3.799 0.180 21 . c30498_6e5j B3E HXT HXT HXT HXT . H . . N 0 . . . 1 no yes . . . . -0.260 . -4.720 . 5.911 . 2.551 -7.410 -0.201 22 . c30498_6e5j B3E 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 CB no N 1 . c30498_6e5j B3E 2 . SING N H no N 2 . c30498_6e5j B3E 3 . SING N H2 no N 3 . c30498_6e5j B3E 4 . SING CB CG no N 4 . c30498_6e5j B3E 5 . SING CB CA no N 5 . c30498_6e5j B3E 6 . SING CB HB no N 6 . c30498_6e5j B3E 7 . SING CG CD no N 7 . c30498_6e5j B3E 8 . SING CG HG2 no N 8 . c30498_6e5j B3E 9 . SING CG HG3 no N 9 . c30498_6e5j B3E 10 . SING CD CE no N 10 . c30498_6e5j B3E 11 . SING CD HD2 no N 11 . c30498_6e5j B3E 12 . SING CD HD3 no N 12 . c30498_6e5j B3E 13 . DOUB CE OF2 no N 13 . c30498_6e5j B3E 14 . SING CE OF1 no N 14 . c30498_6e5j B3E 15 . SING OF1 HOF1 no N 15 . c30498_6e5j B3E 16 . SING CA C no N 16 . c30498_6e5j B3E 17 . SING CA HA1 no N 17 . c30498_6e5j B3E 18 . SING CA HA2 no N 18 . c30498_6e5j B3E 19 . SING C OXT no N 19 . c30498_6e5j B3E 20 . DOUB C O no N 20 . c30498_6e5j B3E 21 . SING OXT HXT no N 21 . c30498_6e5j B3E stop_ save_ save_chem_comp_B3K _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_B3K _Chem_comp.Entry_ID c30498_6e5j _Chem_comp.ID B3K _Chem_comp.Provenance PDB _Chem_comp.Name '(3S)-3,7-DIAMINOHEPTANOIC ACID' _Chem_comp.Type 'L-PEPTIDE LINKING' _Chem_comp.BMRB_code B3K _Chem_comp.PDB_code B3K _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 K _Chem_comp.Three_letter_code B3K _Chem_comp.Number_atoms_all 27 _Chem_comp.Number_atoms_nh 11 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C7H16N2O2/c8-4-2-1-3-6(9)5-7(10)11/h6H,1-5,8-9H2,(H,10,11)/t6-/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 LYS _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 'C7 H16 N2 O2' _Chem_comp.Formula_weight 160.214 _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 V1.4.2' _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 C(CCN)CC(CC(=O)O)N SMILES 'OpenEye OEToolkits' 1.5.0 c30498_6e5j B3K C(CCN)C[C@@H](CC(=O)O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 c30498_6e5j B3K InChI=1S/C7H16N2O2/c8-4-2-1-3-6(9)5-7(10)11/h6H,1-5,8-9H2,(H,10,11)/t6-/m0/s1 InChI InChI 1.03 c30498_6e5j B3K NCCCC[C@H](N)CC(O)=O SMILES_CANONICAL CACTVS 3.341 c30498_6e5j B3K NCCCC[CH](N)CC(O)=O SMILES CACTVS 3.341 c30498_6e5j B3K O=C(O)CC(N)CCCCN SMILES ACDLabs 10.04 c30498_6e5j B3K PJDINCOFOROBQW-LURJTMIESA-N InChIKey InChI 1.03 c30498_6e5j B3K 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 '(3S)-3,7-diaminoheptanoic acid' 'SYSTEMATIC NAME' ACDLabs 10.04 c30498_6e5j B3K '(3S)-3,7-diaminoheptanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 c30498_6e5j B3K 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 . . . . -4.637 . -7.266 . 29.890 . 0.348 -3.287 -0.934 1 . c30498_6e5j B3K CB CB CB CB . C . . S 0 . . . 1 no no . . . . -4.334 . -8.529 . 30.560 . 0.720 -2.031 -0.275 2 . c30498_6e5j B3K CG CG CG CG . C . . N 0 . . . 1 no no . . . . -4.810 . -9.671 . 29.699 . 2.199 -1.706 -0.570 3 . c30498_6e5j B3K CD CD CD CD . C . . N 0 . . . 1 no no . . . . -6.288 . -9.600 . 29.401 . 3.214 -2.740 -0.063 4 . c30498_6e5j B3K CE CE CE CE . C . . N 0 . . . 1 no no . . . . -6.541 . -9.873 . 27.927 . 4.670 -2.338 -0.313 5 . c30498_6e5j B3K CF CF CF CF . C . . N 0 . . . 1 no no . . . . -6.958 . -11.287 . 27.644 . 5.633 -3.392 0.233 6 . c30498_6e5j B3K NZ NZ NZ NZ . N . . N 0 . . . 1 no no . . . . -7.572 . -11.356 . 26.331 . 7.013 -3.002 -0.031 7 . c30498_6e5j B3K CA CA CA CA . C . . N 0 . . . 1 no no . . . . -2.864 . -8.813 . 30.822 . -0.211 -0.910 -0.769 8 . c30498_6e5j B3K C C C C . C . . N 0 . . . 1 no no . . . . -2.336 . -8.086 . 32.051 . 0.063 0.418 -0.101 9 . c30498_6e5j B3K O O O O . O . . N 0 . . . 1 no no . . . . -2.663 . -8.462 . 33.167 . 0.516 0.579 1.022 10 . c30498_6e5j B3K OXT OXT OXT OXT . O . . N 0 . . . 1 no yes . . . . -1.525 . -7.056 . 31.828 . -0.232 1.437 -0.948 11 . c30498_6e5j B3K H H H 1HN . H . . N 0 . . . 1 no no . . . . -4.706 . -6.536 . 30.570 . 0.329 -3.300 -1.928 12 . c30498_6e5j B3K H2 H2 H2 2HN . H . . N 0 . . . 1 no yes . . . . -3.907 . -7.049 . 29.241 . -0.061 -4.000 -0.374 13 . c30498_6e5j B3K HB HB HB HB . H . . N 0 . . . 1 no no . . . . -4.838 . -8.438 . 31.533 . 0.582 -2.160 0.804 14 . c30498_6e5j B3K HG2 HG2 HG2 1HG . H . . N 0 . . . 1 no no . . . . -4.608 . -10.613 . 30.229 . 2.341 -1.588 -1.651 15 . c30498_6e5j B3K HG3 HG3 HG3 2HG . H . . N 0 . . . 1 no no . . . . -4.273 . -9.613 . 28.741 . 2.454 -0.735 -0.124 16 . c30498_6e5j B3K HD2 HD2 HD2 1HD . H . . N 0 . . . 1 no no . . . . -6.660 . -8.596 . 29.652 . 3.017 -3.719 -0.517 17 . c30498_6e5j B3K HD3 HD3 HD3 2HD . H . . N 0 . . . 1 no no . . . . -6.812 . -10.358 . 30.002 . 3.058 -2.864 1.016 18 . c30498_6e5j B3K HE2 HE2 HE2 1HE . H . . N 0 . . . 1 no no . . . . -5.610 . -9.673 . 27.377 . 4.845 -2.212 -1.387 19 . c30498_6e5j B3K HE3 HE3 HE3 2HE . H . . N 0 . . . 1 no no . . . . -7.368 . -9.220 . 27.611 . 4.869 -1.370 0.165 20 . c30498_6e5j B3K HF1 HF1 HF1 1HF . H . . N 0 . . . 1 no no . . . . -7.681 . -11.615 . 28.405 . 5.491 -3.514 1.312 21 . c30498_6e5j B3K HF2 HF2 HF2 2HF . H . . N 0 . . . 1 no no . . . . -6.075 . -11.942 . 27.671 . 5.439 -4.360 -0.242 22 . c30498_6e5j B3K HNZ1 HNZ1 HNZ1 1HNZ . H . . N 0 . . . 0 no no . . . . -8.567 . -11.372 . 26.428 . 7.477 -2.427 0.640 23 . c30498_6e5j B3K HNZ2 HNZ2 HNZ2 2HNZ . H . . N 0 . . . 0 no no . . . . -7.302 . -10.556 . 25.795 . 7.376 -3.145 -0.950 24 . c30498_6e5j B3K HA1 HA1 HA1 1HA . H . . N 0 . . . 1 no no . . . . -2.742 . -9.895 . 30.979 . -0.078 -0.751 -1.846 25 . c30498_6e5j B3K HA2 HA2 HA2 2HA . H . . N 0 . . . 1 no no . . . . -2.294 . -8.456 . 29.952 . -1.257 -1.188 -0.590 26 . c30498_6e5j B3K HXT HXT HXT HXT . H . . N 0 . . . 1 no yes . . . . -1.256 . -6.679 . 32.657 . -0.037 2.312 -0.548 27 . c30498_6e5j B3K 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 CB no N 1 . c30498_6e5j B3K 2 . SING N H no N 2 . c30498_6e5j B3K 3 . SING N H2 no N 3 . c30498_6e5j B3K 4 . SING CB CG no N 4 . c30498_6e5j B3K 5 . SING CB CA no N 5 . c30498_6e5j B3K 6 . SING CB HB no N 6 . c30498_6e5j B3K 7 . SING CG CD no N 7 . c30498_6e5j B3K 8 . SING CG HG2 no N 8 . c30498_6e5j B3K 9 . SING CG HG3 no N 9 . c30498_6e5j B3K 10 . SING CD CE no N 10 . c30498_6e5j B3K 11 . SING CD HD2 no N 11 . c30498_6e5j B3K 12 . SING CD HD3 no N 12 . c30498_6e5j B3K 13 . SING CE CF no N 13 . c30498_6e5j B3K 14 . SING CE HE2 no N 14 . c30498_6e5j B3K 15 . SING CE HE3 no N 15 . c30498_6e5j B3K 16 . SING CF NZ no N 16 . c30498_6e5j B3K 17 . SING CF HF1 no N 17 . c30498_6e5j B3K 18 . SING CF HF2 no N 18 . c30498_6e5j B3K 19 . SING NZ HNZ1 no N 19 . c30498_6e5j B3K 20 . SING NZ HNZ2 no N 20 . c30498_6e5j B3K 21 . SING CA C no N 21 . c30498_6e5j B3K 22 . SING CA HA1 no N 22 . c30498_6e5j B3K 23 . SING CA HA2 no N 23 . c30498_6e5j B3K 24 . SING C OXT no N 24 . c30498_6e5j B3K 25 . DOUB C O no N 25 . c30498_6e5j B3K 26 . SING OXT HXT no N 26 . c30498_6e5j B3K stop_ save_ save_chem_comp_MVA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_MVA _Chem_comp.Entry_ID c30498_6e5j _Chem_comp.ID MVA _Chem_comp.Provenance PDB _Chem_comp.Name N-METHYLVALINE _Chem_comp.Type 'L-PEPTIDE LINKING' _Chem_comp.BMRB_code MVA _Chem_comp.PDB_code MVA _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 V _Chem_comp.Three_letter_code MVA _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/c1-4(2)5(7-3)6(8)9/h4-5,7H,1-3H3,(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 VAL _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 yes _Chem_comp.Ideal_coordinates_details Corina _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 AKCRVYNORCOYQT-YFKPBYRVSA-N InChIKey InChI 1.03 c30498_6e5j MVA CC(C)C(C(=O)O)NC SMILES 'OpenEye OEToolkits' 1.7.0 c30498_6e5j MVA CC(C)[C@@H](C(=O)O)NC SMILES_CANONICAL 'OpenEye OEToolkits' 1.7.0 c30498_6e5j MVA CN[C@@H](C(C)C)C(O)=O SMILES_CANONICAL CACTVS 3.370 c30498_6e5j MVA CN[CH](C(C)C)C(O)=O SMILES CACTVS 3.370 c30498_6e5j MVA InChI=1S/C6H13NO2/c1-4(2)5(7-3)6(8)9/h4-5,7H,1-3H3,(H,8,9)/t5-/m0/s1 InChI InChI 1.03 c30498_6e5j MVA O=C(O)C(NC)C(C)C SMILES ACDLabs 12.01 c30498_6e5j MVA 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)-3-methyl-2-(methylamino)butanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.7.0 c30498_6e5j MVA N-methyl-L-valine 'SYSTEMATIC NAME' ACDLabs 12.01 c30498_6e5j MVA 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 . . . . 2.302 . 33.720 . 20.379 . -0.221 -1.592 -0.317 1 . c30498_6e5j MVA CN CN CN CN . C . . N 0 . . . 1 no no . . . . 2.140 . 32.333 . 19.874 . -1.035 -2.384 0.616 2 . c30498_6e5j MVA CA CA CA CA . C . . S 0 . . . 1 no no . . . . 3.419 . 34.046 . 21.268 . 0.072 -0.264 0.237 3 . c30498_6e5j MVA CB CB CB CB . C . . N 0 . . . 1 no no . . . . 3.436 . 33.107 . 22.557 . 1.362 0.275 -0.385 4 . c30498_6e5j MVA CG1 CG1 CG1 CG1 . C . . N 0 . . . 1 no no . . . . 4.442 . 33.606 . 23.582 . 1.667 1.659 0.192 5 . c30498_6e5j MVA CG2 CG2 CG2 CG2 . C . . N 0 . . . 1 no no . . . . 2.092 . 33.174 . 23.311 . 2.517 -0.676 -0.068 6 . c30498_6e5j MVA C C C C . C . . N 0 . . . 1 no no . . . . 4.699 . 33.893 . 20.424 . -1.066 0.673 -0.075 7 . c30498_6e5j MVA O O O O . O . . N 0 . . . 1 no no . . . . 5.302 . 32.805 . 20.434 . -1.754 0.484 -1.050 8 . c30498_6e5j MVA OXT OXT OXT OXT . O . . N 0 . . . 1 no yes . . . . . . . . . . -1.316 1.718 0.730 9 . c30498_6e5j MVA H H H HN . H . . N 0 . . . 1 no yes . . . . 2.411 . 34.299 . 19.571 . 0.629 -2.079 -0.558 10 . c30498_6e5j MVA HN1 HN1 HN1 HN1 . H . . N 0 . . . 1 no no . . . . 1.253 . 32.280 . 19.226 . -0.463 -2.576 1.524 11 . c30498_6e5j MVA HN2 HN2 HN2 HN2 . H . . N 0 . . . 1 no no . . . . 3.032 . 32.046 . 19.298 . -1.941 -1.832 0.866 12 . c30498_6e5j MVA HN3 HN3 HN3 HN3 . H . . N 0 . . . 1 no no . . . . 2.015 . 31.646 . 20.724 . -1.304 -3.331 0.149 13 . c30498_6e5j MVA HA HA HA HA . H . . N 0 . . . 1 no no . . . . 3.331 . 35.071 . 21.658 . 0.194 -0.340 1.318 14 . c30498_6e5j MVA HB HB HB HB . H . . N 0 . . . 1 no no . . . . 3.667 . 32.098 . 22.184 . 1.240 0.351 -1.465 15 . c30498_6e5j MVA HG11 HG11 HG11 HG11 . H . . N 0 . . . 0 no no . . . . 4.433 . 32.942 . 24.459 . 2.586 2.042 -0.251 16 . c30498_6e5j MVA HG12 HG12 HG12 HG12 . H . . N 0 . . . 0 no no . . . . 5.448 . 33.611 . 23.136 . 0.844 2.336 -0.034 17 . c30498_6e5j MVA HG13 HG13 HG13 HG13 . H . . N 0 . . . 0 no no . . . . 4.173 . 34.626 . 23.893 . 1.789 1.583 1.273 18 . c30498_6e5j MVA HG21 HG21 HG21 HG21 . H . . N 0 . . . 0 no no . . . . 2.133 . 32.518 . 24.193 . 2.300 -1.662 -0.479 19 . c30498_6e5j MVA HG22 HG22 HG22 HG22 . H . . N 0 . . . 0 no no . . . . 1.903 . 34.209 . 23.632 . 3.436 -0.293 -0.511 20 . c30498_6e5j MVA HG23 HG23 HG23 HG23 . H . . N 0 . . . 0 no no . . . . 1.281 . 32.843 . 22.645 . 2.639 -0.752 1.013 21 . c30498_6e5j MVA HXT HXT HXT HXT . H . . N 0 . . . 1 no yes . . . . 0.789 . -0.094 . -0.520 . -2.056 2.291 0.488 22 . c30498_6e5j MVA 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 CN no N 1 . c30498_6e5j MVA 2 . SING N CA no N 2 . c30498_6e5j MVA 3 . SING N H no N 3 . c30498_6e5j MVA 4 . SING CN HN1 no N 4 . c30498_6e5j MVA 5 . SING CN HN2 no N 5 . c30498_6e5j MVA 6 . SING CN HN3 no N 6 . c30498_6e5j MVA 7 . SING CA CB no N 7 . c30498_6e5j MVA 8 . SING CA C no N 8 . c30498_6e5j MVA 9 . SING CA HA no N 9 . c30498_6e5j MVA 10 . SING CB CG1 no N 10 . c30498_6e5j MVA 11 . SING CB CG2 no N 11 . c30498_6e5j MVA 12 . SING CB HB no N 12 . c30498_6e5j MVA 13 . SING CG1 HG11 no N 13 . c30498_6e5j MVA 14 . SING CG1 HG12 no N 14 . c30498_6e5j MVA 15 . SING CG1 HG13 no N 15 . c30498_6e5j MVA 16 . SING CG2 HG21 no N 16 . c30498_6e5j MVA 17 . SING CG2 HG22 no N 17 . c30498_6e5j MVA 18 . SING CG2 HG23 no N 18 . c30498_6e5j MVA 19 . DOUB C O no N 19 . c30498_6e5j MVA 20 . SING C OXT no N 20 . c30498_6e5j MVA 21 . SING OXT HXT no N 21 . c30498_6e5j MVA stop_ save_ save_chem_comp_AIB _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_AIB _Chem_comp.Entry_ID c30498_6e5j _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 c30498_6e5j AIB CC(C)(C(=O)O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 c30498_6e5j AIB CC(C)(N)C(O)=O SMILES CACTVS 3.341 c30498_6e5j AIB CC(C)(N)C(O)=O SMILES_CANONICAL CACTVS 3.341 c30498_6e5j AIB FUOOLUPWFVMBKG-UHFFFAOYSA-N InChIKey InChI 1.03 c30498_6e5j AIB InChI=1S/C4H9NO2/c1-4(2,5)3(6)7/h5H2,1-2H3,(H,6,7) InChI InChI 1.03 c30498_6e5j AIB O=C(O)C(N)(C)C SMILES ACDLabs 10.04 c30498_6e5j 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 c30498_6e5j AIB 2-methyl-L-alanine 'SYSTEMATIC NAME' ACDLabs 10.04 c30498_6e5j 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 . c30498_6e5j AIB CA CA CA CA . C . . N 0 . . . 1 no no . . . . 46.920 . 3.266 . -2.573 . -0.053 0.002 0.646 2 . c30498_6e5j AIB C C C C . C . . N 0 . . . 1 no no . . . . 45.865 . 2.301 . -3.116 . 0.144 -0.009 -0.847 3 . c30498_6e5j AIB O O O O1 . O . . N 0 . . . 1 no no . . . . 44.700 . 2.587 . -2.746 . 1.261 -0.025 -1.308 4 . c30498_6e5j AIB OXT OXT OXT O2 . O . . N 0 . . . 1 no yes . . . . 46.136 . 1.294 . -3.808 . -0.919 -0.003 -1.665 5 . c30498_6e5j AIB CB1 CB1 CB1 CB1 . C . . N 0 . . . 1 no no . . . . 47.457 . 4.132 . -3.656 . 1.126 0.715 1.311 6 . c30498_6e5j AIB CB2 CB2 CB2 CB2 . C . . N 0 . . . 1 no no . . . . 46.329 . 4.215 . -1.516 . -0.136 -1.435 1.161 7 . c30498_6e5j AIB H H H 1HN . H . . N 0 . . . 1 no no . . . . 48.768 . 3.105 . -1.601 . -1.199 1.649 0.612 8 . c30498_6e5j AIB H2 H2 H2 2HN . H . . N 0 . . . 1 no yes . . . . 48.457 . 1.787 . -2.620 . -2.030 0.272 0.430 9 . c30498_6e5j AIB HO2 HO2 HO2 HO2 . H . . N 0 . . . 1 no no . . . . 45.480 . 0.694 . -4.145 . -0.792 -0.010 -2.624 10 . c30498_6e5j AIB HB11 HB11 HB11 1HB1 . H . . N 0 . . . 0 no no . . . . 46.620 . 4.719 . -4.101 . 0.983 0.723 2.391 11 . c30498_6e5j AIB HB12 HB12 HB12 2HB1 . H . . N 0 . . . 0 no no . . . . 48.291 . 4.782 . -3.304 . 2.050 0.189 1.071 12 . c30498_6e5j AIB HB13 HB13 HB13 3HB1 . H . . N 0 . . . 0 no no . . . . 48.022 . 3.551 . -4.422 . 1.185 1.739 0.944 13 . c30498_6e5j AIB HB21 HB21 HB21 1HB2 . H . . N 0 . . . 0 no no . . . . 45.492 . 4.802 . -1.961 . 0.787 -1.961 0.921 14 . c30498_6e5j AIB HB22 HB22 HB22 2HB2 . H . . N 0 . . . 0 no no . . . . 46.015 . 3.672 . -0.593 . -0.279 -1.426 2.242 15 . c30498_6e5j AIB HB23 HB23 HB23 3HB2 . H . . N 0 . . . 0 no no . . . . 47.106 . 4.871 . -1.060 . -0.976 -1.943 0.687 16 . c30498_6e5j 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 . c30498_6e5j AIB 2 . SING N H no N 2 . c30498_6e5j AIB 3 . SING N H2 no N 3 . c30498_6e5j AIB 4 . SING CA C no N 4 . c30498_6e5j AIB 5 . SING CA CB1 no N 5 . c30498_6e5j AIB 6 . SING CA CB2 no N 6 . c30498_6e5j AIB 7 . DOUB C O no N 7 . c30498_6e5j AIB 8 . SING C OXT no N 8 . c30498_6e5j AIB 9 . SING OXT HO2 no N 9 . c30498_6e5j AIB 10 . SING CB1 HB11 no N 10 . c30498_6e5j AIB 11 . SING CB1 HB12 no N 11 . c30498_6e5j AIB 12 . SING CB1 HB13 no N 12 . c30498_6e5j AIB 13 . SING CB2 HB21 no N 13 . c30498_6e5j AIB 14 . SING CB2 HB22 no N 14 . c30498_6e5j AIB 15 . SING CB2 HB23 no N 15 . c30498_6e5j AIB stop_ save_ save_chem_comp_DPR _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_DPR _Chem_comp.Entry_ID c30498_6e5j _Chem_comp.ID DPR _Chem_comp.Provenance PDB _Chem_comp.Name D-PROLINE _Chem_comp.Type 'D-PEPTIDE LINKING' _Chem_comp.BMRB_code DPR _Chem_comp.PDB_code DPR _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 P _Chem_comp.Three_letter_code DPR _Chem_comp.Number_atoms_all 17 _Chem_comp.Number_atoms_nh 8 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m1/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 . _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 'C5 H9 N O2' _Chem_comp.Formula_weight 115.130 _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 yes _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 C1CC(NC1)C(=O)O SMILES 'OpenEye OEToolkits' 1.7.0 c30498_6e5j DPR C1C[C@@H](NC1)C(=O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.7.0 c30498_6e5j DPR InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m1/s1 InChI InChI 1.03 c30498_6e5j DPR O=C(O)C1NCCC1 SMILES ACDLabs 12.01 c30498_6e5j DPR OC(=O)[C@H]1CCCN1 SMILES_CANONICAL CACTVS 3.370 c30498_6e5j DPR OC(=O)[CH]1CCCN1 SMILES CACTVS 3.370 c30498_6e5j DPR ONIBWKKTOPOVIA-SCSAIBSYSA-N InChIKey InChI 1.03 c30498_6e5j DPR 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 '(2R)-pyrrolidine-2-carboxylic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.7.0 c30498_6e5j DPR D-proline 'SYSTEMATIC NAME' ACDLabs 12.01 c30498_6e5j DPR 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 . . . . -4.206 . 7.451 . -17.843 . 0.814 0.974 0.670 1 . c30498_6e5j DPR CA CA CA CA . C . . R 0 . . . 1 no no . . . . -3.893 . 8.671 . -18.566 . -0.014 -0.244 0.598 2 . c30498_6e5j DPR CB CB CB CB . C . . N 0 . . . 1 no no . . . . -5.242 . 9.255 . -18.952 . 0.728 -1.247 -0.310 3 . c30498_6e5j DPR CG CG CG CG . C . . N 0 . . . 1 no no . . . . -6.239 . 8.113 . -18.840 . 2.199 -0.759 -0.242 4 . c30498_6e5j DPR CD CD CD CD . C . . N 0 . . . 1 no no . . . . -5.571 . 6.986 . -18.070 . 2.016 0.777 -0.168 5 . c30498_6e5j DPR C C C C . C . . N 0 . . . 1 no no . . . . -2.999 . 8.379 . -19.774 . -1.360 0.086 0.006 6 . c30498_6e5j DPR O O O O . O . . N 0 . . . 1 no no . . . . -3.431 . 7.734 . -20.727 . -1.509 1.105 -0.626 7 . c30498_6e5j DPR OXT OXT OXT OXT . O . . N 0 . . . 1 no yes . . . . . . . . . . -2.393 -0.753 0.180 8 . c30498_6e5j DPR H H H HT1 . H . . N 0 . . . 1 no yes . . . . -3.576 . 6.736 . -18.147 . 0.293 1.784 0.370 9 . c30498_6e5j DPR HA HA HA HA . H . . N 0 . . . 1 no no . . . . -3.318 . 9.388 . -17.962 . -0.138 -0.667 1.595 10 . c30498_6e5j DPR HB2 HB2 HB2 HB1 . H . . N 0 . . . 1 no no . . . . -5.517 . 10.078 . -18.276 . 0.639 -2.260 0.083 11 . c30498_6e5j DPR HB3 HB3 HB3 HB2 . H . . N 0 . . . 1 no no . . . . -5.215 . 9.648 . -19.979 . 0.351 -1.194 -1.331 12 . c30498_6e5j DPR HG2 HG2 HG2 HG1 . H . . N 0 . . . 1 no no . . . . -7.140 . 8.451 . -18.307 . 2.695 -1.137 0.653 13 . c30498_6e5j DPR HG3 HG3 HG3 HG2 . H . . N 0 . . . 1 no no . . . . -6.527 . 7.765 . -19.843 . 2.747 -1.045 -1.140 14 . c30498_6e5j DPR HD2 HD2 HD2 HD1 . H . . N 0 . . . 1 no no . . . . -5.580 . 6.051 . -18.650 . 1.855 1.188 -1.165 15 . c30498_6e5j DPR HD3 HD3 HD3 HD2 . H . . N 0 . . . 1 no no . . . . -6.088 . 6.796 . -17.118 . 2.885 1.241 0.299 16 . c30498_6e5j DPR HXT HXT HXT HXT . H . . N 0 . . . 1 no yes . . . . . . . . . . -3.237 -0.500 -0.219 17 . c30498_6e5j DPR 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 . c30498_6e5j DPR 2 . SING N CD no N 2 . c30498_6e5j DPR 3 . SING N H no N 3 . c30498_6e5j DPR 4 . SING CA CB no N 4 . c30498_6e5j DPR 5 . SING CA C no N 5 . c30498_6e5j DPR 6 . SING CA HA no N 6 . c30498_6e5j DPR 7 . SING CB CG no N 7 . c30498_6e5j DPR 8 . SING CB HB2 no N 8 . c30498_6e5j DPR 9 . SING CB HB3 no N 9 . c30498_6e5j DPR 10 . SING CG CD no N 10 . c30498_6e5j DPR 11 . SING CG HG2 no N 11 . c30498_6e5j DPR 12 . SING CG HG3 no N 12 . c30498_6e5j DPR 13 . SING CD HD2 no N 13 . c30498_6e5j DPR 14 . SING CD HD3 no N 14 . c30498_6e5j DPR 15 . DOUB C O no N 15 . c30498_6e5j DPR 16 . SING C OXT no N 16 . c30498_6e5j DPR 17 . SING OXT HXT no N 17 . c30498_6e5j DPR stop_ save_ save_chem_comp_NH2 _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_NH2 _Chem_comp.Entry_ID c30498_6e5j _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 c30498_6e5j NH2 N SMILES ACDLabs 10.04 c30498_6e5j NH2 QGZKDVFQNNGYKY-UHFFFAOYAF InChIKey InChI 1.02b c30498_6e5j NH2 [NH2] SMILES CACTVS 3.341 c30498_6e5j NH2 [NH2] SMILES 'OpenEye OEToolkits' 1.5.0 c30498_6e5j NH2 [NH2] SMILES_CANONICAL CACTVS 3.341 c30498_6e5j NH2 [NH2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 c30498_6e5j 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 c30498_6e5j NH2 l^{2}-azane 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 c30498_6e5j 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 . c30498_6e5j NH2 HN1 HN1 HN1 1HN . H . . N 0 . . . 1 no no . . . . 9.517 . 8.769 . -7.044 . -0.385 -0.545 -0.771 2 . c30498_6e5j NH2 HN2 HN2 HN2 2HN . H . . N 0 . . . 1 no no . . . . 10.323 . 9.890 . -8.082 . 1.020 0.000 0.000 3 . c30498_6e5j 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 . c30498_6e5j NH2 2 . SING N HN2 no N 2 . c30498_6e5j NH2 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID c30498_6e5j _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.2 mM NA DSS, 1.4 mM NA Designed peptide NC_HEE_D1: Aib turn, beta3 helix, N-methyl hairpin mutant, 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 DSS 'natural abundance' . . . . . . 0.2 . . mM . . . . c30498_6e5j 1 2 'Designed peptide NC_HEE_D1: Aib turn, beta3 helix, N-methyl hairpin mutant' 'natural abundance' 1 $assembly 1 $entity_1 . . 1.4 . . mM . . . . c30498_6e5j 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID c30498_6e5j _Sample_condition_list.ID 1 _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' 5 . mM c30498_6e5j 1 pH 4.0 . pH c30498_6e5j 1 pressure 1 . atm c30498_6e5j 1 temperature 275 . K c30498_6e5j 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID c30498_6e5j _Software.ID 1 _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 . . c30498_6e5j 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' c30498_6e5j 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID c30498_6e5j _Software.ID 2 _Software.Type . _Software.Name ARIA _Software.Version 2.3 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Linge, O'Donoghue and Nilges" . . c30498_6e5j 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' c30498_6e5j 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID c30498_6e5j _NMR_spectrometer.ID 1 _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 c30498_6e5j _NMR_spectrometer_list.ID 1 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 . . . c30498_6e5j 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID c30498_6e5j _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 TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . c30498_6e5j 1 2 '2D NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . c30498_6e5j 1 3 '2D COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . c30498_6e5j 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ 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 c30498_6e5j _Chem_shift_reference.ID 1 _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 . . . . . c30498_6e5j 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### 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 c30498_6e5j _Assigned_chem_shift_list.ID 1 _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 TOCSY' . . . c30498_6e5j 1 2 '2D NOESY' . . . c30498_6e5j 1 3 '2D COSY' . . . c30498_6e5j 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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 ASN HA H 1 4.352 0.000 . 1 . . . . A 1 ASN HA . c30498_6e5j 1 2 . 1 1 1 1 ASN HB2 H 1 3.044 0.000 . 1 . . . . A 1 ASN HB2 . c30498_6e5j 1 3 . 1 1 1 1 ASN HB3 H 1 3.044 0.000 . 1 . . . . A 1 ASN HB3 . c30498_6e5j 1 4 . 1 1 1 1 ASN HD21 H 1 7.100 0.000 . 2 . . . . A 1 ASN HD21 . c30498_6e5j 1 5 . 1 1 1 1 ASN HD22 H 1 7.755 0.001 . 2 . . . . A 1 ASN HD22 . c30498_6e5j 1 6 . 1 1 2 2 ASP H H 1 8.800 0.001 . 1 . . . . A 2 ASP H . c30498_6e5j 1 7 . 1 1 2 2 ASP HA H 1 4.665 0.000 . 1 . . . . A 2 ASP HA . c30498_6e5j 1 8 . 1 1 2 2 ASP HB2 H 1 2.761 0.000 . 1 . . . . A 2 ASP HB2 . c30498_6e5j 1 9 . 1 1 2 2 ASP HB3 H 1 2.761 0.000 . 1 . . . . A 2 ASP HB3 . c30498_6e5j 1 10 . 1 1 3 3 B3K H H 1 7.939 0.001 . 1 . . . . A 3 B3K H . c30498_6e5j 1 11 . 1 1 3 3 B3K HA1 H 1 2.466 0.000 . 1 . . . . A 3 B3K HA1 . c30498_6e5j 1 12 . 1 1 3 3 B3K HB H 1 4.171 0.000 . 1 . . . . A 3 B3K HB . c30498_6e5j 1 13 . 1 1 3 3 B3K HD3 H 1 1.415 0.000 . 2 . . . . A 3 B3K HD3 . c30498_6e5j 1 14 . 1 1 3 3 B3K HE3 H 1 1.650 0.000 . 1 . . . . A 3 B3K HE3 . c30498_6e5j 1 15 . 1 1 3 3 B3K HF1 H 1 2.990 0.000 . 1 . . . . A 3 B3K HF1 . c30498_6e5j 1 16 . 1 1 3 3 B3K HG3 H 1 1.568 0.001 . 1 . . . . A 3 B3K HG3 . c30498_6e5j 1 17 . 1 1 3 3 B3K HNZ1 H 1 7.538 0.000 . 1 . . . . A 3 B3K HNZ1 . c30498_6e5j 1 18 . 1 1 4 4 CYS H H 1 8.307 0.000 . 1 . . . . A 4 CYS H . c30498_6e5j 1 19 . 1 1 4 4 CYS HA H 1 4.356 0.001 . 1 . . . . A 4 CYS HA . c30498_6e5j 1 20 . 1 1 4 4 CYS HB2 H 1 3.100 0.000 . 2 . . . . A 4 CYS HB2 . c30498_6e5j 1 21 . 1 1 4 4 CYS HB3 H 1 2.878 0.001 . 2 . . . . A 4 CYS HB3 . c30498_6e5j 1 22 . 1 1 5 5 LYS H H 1 8.215 0.001 . 1 . . . . A 5 LYS H . c30498_6e5j 1 23 . 1 1 5 5 LYS HA H 1 4.154 0.000 . 1 . . . . A 5 LYS HA . c30498_6e5j 1 24 . 1 1 5 5 LYS HB2 H 1 1.822 0.005 . 2 . . . . A 5 LYS HB2 . c30498_6e5j 1 25 . 1 1 5 5 LYS HB3 H 1 1.780 0.001 . 2 . . . . A 5 LYS HB3 . c30498_6e5j 1 26 . 1 1 5 5 LYS HG2 H 1 1.483 0.000 . 2 . . . . A 5 LYS HG2 . c30498_6e5j 1 27 . 1 1 5 5 LYS HG3 H 1 1.382 0.001 . 2 . . . . A 5 LYS HG3 . c30498_6e5j 1 28 . 1 1 5 5 LYS HD2 H 1 1.679 0.000 . 1 . . . . A 5 LYS HD2 . c30498_6e5j 1 29 . 1 1 5 5 LYS HD3 H 1 1.679 0.000 . 1 . . . . A 5 LYS HD3 . c30498_6e5j 1 30 . 1 1 5 5 LYS HE2 H 1 2.984 0.001 . 1 . . . . A 5 LYS HE2 . c30498_6e5j 1 31 . 1 1 5 5 LYS HE3 H 1 2.984 0.001 . 1 . . . . A 5 LYS HE3 . c30498_6e5j 1 32 . 1 1 5 5 LYS HZ1 H 1 7.541 0.000 . 1 . . . . A 5 LYS HZ1 . c30498_6e5j 1 33 . 1 1 5 5 LYS HZ2 H 1 7.541 0.000 . 1 . . . . A 5 LYS HZ2 . c30498_6e5j 1 34 . 1 1 5 5 LYS HZ3 H 1 7.541 0.000 . 1 . . . . A 5 LYS HZ3 . c30498_6e5j 1 35 . 1 1 6 6 B3E H H 1 7.849 0.002 . 1 . . . . A 6 B3E H . c30498_6e5j 1 36 . 1 1 6 6 B3E HA1 H 1 2.498 0.001 . 1 . . . . A 6 B3E HA1 . c30498_6e5j 1 37 . 1 1 6 6 B3E HB H 1 4.189 0.001 . 1 . . . . A 6 B3E HB . c30498_6e5j 1 38 . 1 1 6 6 B3E HD3 H 1 2.381 0.003 . 2 . . . . A 6 B3E HD3 . c30498_6e5j 1 39 . 1 1 6 6 B3E HG3 H 1 1.890 0.000 . 2 . . . . A 6 B3E HG3 . c30498_6e5j 1 40 . 1 1 7 7 LEU H H 1 8.233 0.000 . 1 . . . . A 7 LEU H . c30498_6e5j 1 41 . 1 1 7 7 LEU HA H 1 4.213 0.001 . 1 . . . . A 7 LEU HA . c30498_6e5j 1 42 . 1 1 7 7 LEU HB2 H 1 1.746 0.000 . 2 . . . . A 7 LEU HB2 . c30498_6e5j 1 43 . 1 1 7 7 LEU HB3 H 1 1.588 0.000 . 2 . . . . A 7 LEU HB3 . c30498_6e5j 1 44 . 1 1 7 7 LEU HG H 1 1.471 0.001 . 1 . . . . A 7 LEU HG . c30498_6e5j 1 45 . 1 1 7 7 LEU HD11 H 1 0.758 0.002 . 2 . . . . A 7 LEU HD11 . c30498_6e5j 1 46 . 1 1 7 7 LEU HD12 H 1 0.758 0.002 . 2 . . . . A 7 LEU HD12 . c30498_6e5j 1 47 . 1 1 7 7 LEU HD13 H 1 0.758 0.002 . 2 . . . . A 7 LEU HD13 . c30498_6e5j 1 48 . 1 1 7 7 LEU HD21 H 1 0.788 0.002 . 2 . . . . A 7 LEU HD21 . c30498_6e5j 1 49 . 1 1 7 7 LEU HD22 H 1 0.788 0.002 . 2 . . . . A 7 LEU HD22 . c30498_6e5j 1 50 . 1 1 7 7 LEU HD23 H 1 0.788 0.002 . 2 . . . . A 7 LEU HD23 . c30498_6e5j 1 51 . 1 1 8 8 LYS H H 1 8.076 0.001 . 1 . . . . A 8 LYS H . c30498_6e5j 1 52 . 1 1 8 8 LYS HA H 1 4.163 0.000 . 1 . . . . A 8 LYS HA . c30498_6e5j 1 53 . 1 1 8 8 LYS HB2 H 1 1.845 0.000 . 2 . . . . A 8 LYS HB2 . c30498_6e5j 1 54 . 1 1 8 8 LYS HB3 H 1 1.741 0.000 . 2 . . . . A 8 LYS HB3 . c30498_6e5j 1 55 . 1 1 8 8 LYS HG2 H 1 1.544 0.000 . 2 . . . . A 8 LYS HG2 . c30498_6e5j 1 56 . 1 1 8 8 LYS HG3 H 1 1.365 0.000 . 2 . . . . A 8 LYS HG3 . c30498_6e5j 1 57 . 1 1 8 8 LYS HD2 H 1 1.655 0.000 . 1 . . . . A 8 LYS HD2 . c30498_6e5j 1 58 . 1 1 8 8 LYS HD3 H 1 1.655 0.000 . 1 . . . . A 8 LYS HD3 . c30498_6e5j 1 59 . 1 1 8 8 LYS HE2 H 1 2.959 0.000 . 1 . . . . A 8 LYS HE2 . c30498_6e5j 1 60 . 1 1 8 8 LYS HE3 H 1 2.959 0.000 . 1 . . . . A 8 LYS HE3 . c30498_6e5j 1 61 . 1 1 9 9 B3K H H 1 7.734 0.001 . 1 . . . . A 9 B3K H . c30498_6e5j 1 62 . 1 1 9 9 B3K HA1 H 1 2.444 0.001 . 1 . . . . A 9 B3K HA1 . c30498_6e5j 1 63 . 1 1 9 9 B3K HB H 1 4.125 0.000 . 1 . . . . A 9 B3K HB . c30498_6e5j 1 64 . 1 1 9 9 B3K HD3 H 1 1.436 0.000 . 1 . . . . A 9 B3K HD3 . c30498_6e5j 1 65 . 1 1 9 9 B3K HE3 H 1 1.661 0.001 . 1 . . . . A 9 B3K HE3 . c30498_6e5j 1 66 . 1 1 9 9 B3K HF1 H 1 2.982 0.000 . 1 . . . . A 9 B3K HF1 . c30498_6e5j 1 67 . 1 1 9 9 B3K HG3 H 1 1.558 0.000 . 1 . . . . A 9 B3K HG3 . c30498_6e5j 1 68 . 1 1 9 9 B3K HNZ1 H 1 7.542 0.000 . 1 . . . . A 9 B3K HNZ1 . c30498_6e5j 1 69 . 1 1 10 10 ARG H H 1 8.133 0.001 . 1 . . . . A 10 ARG H . c30498_6e5j 1 70 . 1 1 10 10 ARG HA H 1 4.151 0.000 . 1 . . . . A 10 ARG HA . c30498_6e5j 1 71 . 1 1 10 10 ARG HB2 H 1 1.656 0.001 . 2 . . . . A 10 ARG HB2 . c30498_6e5j 1 72 . 1 1 10 10 ARG HB3 H 1 1.536 0.002 . 2 . . . . A 10 ARG HB3 . c30498_6e5j 1 73 . 1 1 10 10 ARG HG2 H 1 1.257 0.000 . 2 . . . . A 10 ARG HG2 . c30498_6e5j 1 74 . 1 1 10 10 ARG HG3 H 1 1.206 0.000 . 2 . . . . A 10 ARG HG3 . c30498_6e5j 1 75 . 1 1 10 10 ARG HD2 H 1 3.034 0.000 . 2 . . . . A 10 ARG HD2 . c30498_6e5j 1 76 . 1 1 10 10 ARG HD3 H 1 2.987 0.002 . 2 . . . . A 10 ARG HD3 . c30498_6e5j 1 77 . 1 1 10 10 ARG HE H 1 7.078 0.000 . 1 . . . . A 10 ARG HE . c30498_6e5j 1 78 . 1 1 11 11 TYR H H 1 8.283 0.001 . 1 . . . . A 11 TYR H . c30498_6e5j 1 79 . 1 1 11 11 TYR HA H 1 4.697 0.000 . 1 . . . . A 11 TYR HA . c30498_6e5j 1 80 . 1 1 11 11 TYR HB2 H 1 3.076 0.000 . 2 . . . . A 11 TYR HB2 . c30498_6e5j 1 81 . 1 1 11 11 TYR HB3 H 1 2.759 0.000 . 2 . . . . A 11 TYR HB3 . c30498_6e5j 1 82 . 1 1 11 11 TYR HD1 H 1 7.103 0.001 . 1 . . . . A 11 TYR HD1 . c30498_6e5j 1 83 . 1 1 11 11 TYR HD2 H 1 7.103 0.001 . 1 . . . . A 11 TYR HD2 . c30498_6e5j 1 84 . 1 1 11 11 TYR HE1 H 1 6.771 0.001 . 1 . . . . A 11 TYR HE1 . c30498_6e5j 1 85 . 1 1 11 11 TYR HE2 H 1 6.771 0.001 . 1 . . . . A 11 TYR HE2 . c30498_6e5j 1 86 . 1 1 12 12 AIB H H 1 7.905 0.000 . 1 . . . . A 12 AIB H . c30498_6e5j 1 87 . 1 1 12 12 AIB HB11 H 1 1.431 0.000 . 2 . . . . A 12 AIB HB11 . c30498_6e5j 1 88 . 1 1 12 12 AIB HB21 H 1 1.483 0.000 . 2 . . . . A 12 AIB HB21 . c30498_6e5j 1 89 . 1 1 13 13 GLY H H 1 8.542 0.000 . 1 . . . . A 13 GLY H . c30498_6e5j 1 90 . 1 1 13 13 GLY HA2 H 1 4.051 0.001 . 2 . . . . A 13 GLY HA2 . c30498_6e5j 1 91 . 1 1 13 13 GLY HA3 H 1 3.894 0.001 . 2 . . . . A 13 GLY HA3 . c30498_6e5j 1 92 . 1 1 14 14 CYS H H 1 8.151 0.000 . 1 . . . . A 14 CYS H . c30498_6e5j 1 93 . 1 1 14 14 CYS HA H 1 5.131 0.001 . 1 . . . . A 14 CYS HA . c30498_6e5j 1 94 . 1 1 14 14 CYS HB2 H 1 3.376 0.000 . 2 . . . . A 14 CYS HB2 . c30498_6e5j 1 95 . 1 1 14 14 CYS HB3 H 1 2.534 0.000 . 2 . . . . A 14 CYS HB3 . c30498_6e5j 1 96 . 1 1 15 15 GLU H H 1 8.794 0.001 . 1 . . . . A 15 GLU H . c30498_6e5j 1 97 . 1 1 15 15 GLU HA H 1 5.079 0.002 . 1 . . . . A 15 GLU HA . c30498_6e5j 1 98 . 1 1 15 15 GLU HB2 H 1 2.160 0.000 . 1 . . . . A 15 GLU HB2 . c30498_6e5j 1 99 . 1 1 15 15 GLU HB3 H 1 2.160 0.000 . 1 . . . . A 15 GLU HB3 . c30498_6e5j 1 100 . 1 1 15 15 GLU HG2 H 1 2.530 0.000 . 2 . . . . A 15 GLU HG2 . c30498_6e5j 1 101 . 1 1 15 15 GLU HG3 H 1 2.445 0.005 . 2 . . . . A 15 GLU HG3 . c30498_6e5j 1 102 . 1 1 16 16 MVA HA H 1 5.115 0.001 . 1 . . . . A 16 MVA HA . c30498_6e5j 1 103 . 1 1 16 16 MVA HB H 1 2.173 0.001 . 1 . . . . A 16 MVA HB . c30498_6e5j 1 104 . 1 1 16 16 MVA HG13 H 1 0.741 0.001 . 2 . . . . A 16 MVA HG13 . c30498_6e5j 1 105 . 1 1 16 16 MVA HG21 H 1 0.826 0.001 . 2 . . . . A 16 MVA HG21 . c30498_6e5j 1 106 . 1 1 16 16 MVA HN1 H 1 3.318 0.001 . 1 . . . . A 16 MVA HN1 . c30498_6e5j 1 107 . 1 1 17 17 ARG H H 1 8.501 0.000 . 1 . . . . A 17 ARG H . c30498_6e5j 1 108 . 1 1 17 17 ARG HA H 1 4.674 0.001 . 1 . . . . A 17 ARG HA . c30498_6e5j 1 109 . 1 1 17 17 ARG HB2 H 1 1.859 0.003 . 2 . . . . A 17 ARG HB2 . c30498_6e5j 1 110 . 1 1 17 17 ARG HB3 H 1 1.739 0.002 . 2 . . . . A 17 ARG HB3 . c30498_6e5j 1 111 . 1 1 17 17 ARG HG2 H 1 1.612 0.000 . 2 . . . . A 17 ARG HG2 . c30498_6e5j 1 112 . 1 1 17 17 ARG HG3 H 1 1.560 0.001 . 2 . . . . A 17 ARG HG3 . c30498_6e5j 1 113 . 1 1 17 17 ARG HD2 H 1 3.137 0.006 . 1 . . . . A 17 ARG HD2 . c30498_6e5j 1 114 . 1 1 17 17 ARG HD3 H 1 3.137 0.006 . 1 . . . . A 17 ARG HD3 . c30498_6e5j 1 115 . 1 1 17 17 ARG HE H 1 7.189 0.001 . 1 . . . . A 17 ARG HE . c30498_6e5j 1 116 . 1 1 18 18 CYS H H 1 8.777 0.000 . 1 . . . . A 18 CYS H . c30498_6e5j 1 117 . 1 1 18 18 CYS HA H 1 5.056 0.000 . 1 . . . . A 18 CYS HA . c30498_6e5j 1 118 . 1 1 18 18 CYS HB2 H 1 3.300 0.000 . 2 . . . . A 18 CYS HB2 . c30498_6e5j 1 119 . 1 1 18 18 CYS HB3 H 1 2.966 0.001 . 2 . . . . A 18 CYS HB3 . c30498_6e5j 1 120 . 1 1 19 19 ASP H H 1 8.684 0.000 . 1 . . . . A 19 ASP H . c30498_6e5j 1 121 . 1 1 19 19 ASP HA H 1 5.147 0.002 . 1 . . . . A 19 ASP HA . c30498_6e5j 1 122 . 1 1 19 19 ASP HB2 H 1 2.760 0.002 . 2 . . . . A 19 ASP HB2 . c30498_6e5j 1 123 . 1 1 19 19 ASP HB3 H 1 2.556 0.001 . 2 . . . . A 19 ASP HB3 . c30498_6e5j 1 124 . 1 1 20 20 DPR HA H 1 4.736 0.000 . 1 . . . . A 20 DPR HA . c30498_6e5j 1 125 . 1 1 20 20 DPR HB2 H 1 1.923 0.001 . 2 . . . . A 20 DPR HB2 . c30498_6e5j 1 126 . 1 1 20 20 DPR HB3 H 1 2.321 0.001 . 2 . . . . A 20 DPR HB3 . c30498_6e5j 1 127 . 1 1 20 20 DPR HD2 H 1 3.518 0.002 . 2 . . . . A 20 DPR HD2 . c30498_6e5j 1 128 . 1 1 20 20 DPR HD3 H 1 3.881 0.002 . 2 . . . . A 20 DPR HD3 . c30498_6e5j 1 129 . 1 1 20 20 DPR HG2 H 1 2.031 0.001 . 2 . . . . A 20 DPR HG2 . c30498_6e5j 1 130 . 1 1 20 20 DPR HG3 H 1 2.164 0.003 . 2 . . . . A 20 DPR HG3 . c30498_6e5j 1 131 . 1 1 21 21 PRO HA H 1 4.543 0.000 . 1 . . . . A 21 PRO HA . c30498_6e5j 1 132 . 1 1 21 21 PRO HB2 H 1 2.243 0.002 . 1 . . . . A 21 PRO HB2 . c30498_6e5j 1 133 . 1 1 21 21 PRO HB3 H 1 2.243 0.002 . 1 . . . . A 21 PRO HB3 . c30498_6e5j 1 134 . 1 1 21 21 PRO HG2 H 1 2.110 0.003 . 2 . . . . A 21 PRO HG2 . c30498_6e5j 1 135 . 1 1 21 21 PRO HG3 H 1 1.905 0.003 . 2 . . . . A 21 PRO HG3 . c30498_6e5j 1 136 . 1 1 21 21 PRO HD2 H 1 3.990 0.001 . 2 . . . . A 21 PRO HD2 . c30498_6e5j 1 137 . 1 1 21 21 PRO HD3 H 1 3.730 0.002 . 2 . . . . A 21 PRO HD3 . c30498_6e5j 1 138 . 1 1 22 22 ARG H H 1 7.656 0.000 . 1 . . . . A 22 ARG H . c30498_6e5j 1 139 . 1 1 22 22 ARG HA H 1 4.460 0.001 . 1 . . . . A 22 ARG HA . c30498_6e5j 1 140 . 1 1 22 22 ARG HB2 H 1 1.878 0.003 . 1 . . . . A 22 ARG HB2 . c30498_6e5j 1 141 . 1 1 22 22 ARG HB3 H 1 1.878 0.003 . 1 . . . . A 22 ARG HB3 . c30498_6e5j 1 142 . 1 1 22 22 ARG HG2 H 1 1.605 0.002 . 1 . . . . A 22 ARG HG2 . c30498_6e5j 1 143 . 1 1 22 22 ARG HG3 H 1 1.605 0.002 . 1 . . . . A 22 ARG HG3 . c30498_6e5j 1 144 . 1 1 22 22 ARG HD2 H 1 3.233 0.001 . 1 . . . . A 22 ARG HD2 . c30498_6e5j 1 145 . 1 1 22 22 ARG HD3 H 1 3.233 0.001 . 1 . . . . A 22 ARG HD3 . c30498_6e5j 1 146 . 1 1 22 22 ARG HE H 1 7.231 0.000 . 1 . . . . A 22 ARG HE . c30498_6e5j 1 147 . 1 1 23 23 TYR H H 1 8.323 0.000 . 1 . . . . A 23 TYR H . c30498_6e5j 1 148 . 1 1 23 23 TYR HA H 1 5.125 0.001 . 1 . . . . A 23 TYR HA . c30498_6e5j 1 149 . 1 1 23 23 TYR HB2 H 1 2.780 0.002 . 1 . . . . A 23 TYR HB2 . c30498_6e5j 1 150 . 1 1 23 23 TYR HB3 H 1 2.780 0.002 . 1 . . . . A 23 TYR HB3 . c30498_6e5j 1 151 . 1 1 23 23 TYR HD1 H 1 6.937 0.002 . 1 . . . . A 23 TYR HD1 . c30498_6e5j 1 152 . 1 1 23 23 TYR HD2 H 1 6.937 0.002 . 1 . . . . A 23 TYR HD2 . c30498_6e5j 1 153 . 1 1 23 23 TYR HE1 H 1 6.797 0.001 . 1 . . . . A 23 TYR HE1 . c30498_6e5j 1 154 . 1 1 23 23 TYR HE2 H 1 6.797 0.001 . 1 . . . . A 23 TYR HE2 . c30498_6e5j 1 155 . 1 1 24 24 GLU H H 1 8.962 0.001 . 1 . . . . A 24 GLU H . c30498_6e5j 1 156 . 1 1 24 24 GLU HA H 1 5.156 0.006 . 1 . . . . A 24 GLU HA . c30498_6e5j 1 157 . 1 1 24 24 GLU HB2 H 1 1.968 0.002 . 2 . . . . A 24 GLU HB2 . c30498_6e5j 1 158 . 1 1 24 24 GLU HB3 H 1 1.894 0.001 . 2 . . . . A 24 GLU HB3 . c30498_6e5j 1 159 . 1 1 24 24 GLU HG2 H 1 2.322 0.002 . 1 . . . . A 24 GLU HG2 . c30498_6e5j 1 160 . 1 1 24 24 GLU HG3 H 1 2.322 0.002 . 1 . . . . A 24 GLU HG3 . c30498_6e5j 1 161 . 1 1 25 25 MVA HA H 1 5.017 0.000 . 1 . . . . A 25 MVA HA . c30498_6e5j 1 162 . 1 1 25 25 MVA HB H 1 2.160 0.001 . 1 . . . . A 25 MVA HB . c30498_6e5j 1 163 . 1 1 25 25 MVA HG13 H 1 0.610 0.001 . 2 . . . . A 25 MVA HG13 . c30498_6e5j 1 164 . 1 1 25 25 MVA HG21 H 1 0.722 0.000 . 2 . . . . A 25 MVA HG21 . c30498_6e5j 1 165 . 1 1 25 25 MVA HN1 H 1 3.217 0.000 . 1 . . . . A 25 MVA HN1 . c30498_6e5j 1 166 . 1 1 26 26 HIS H H 1 8.833 0.000 . 1 . . . . A 26 HIS H . c30498_6e5j 1 167 . 1 1 26 26 HIS HA H 1 5.039 0.000 . 1 . . . . A 26 HIS HA . c30498_6e5j 1 168 . 1 1 26 26 HIS HB2 H 1 3.305 0.000 . 2 . . . . A 26 HIS HB2 . c30498_6e5j 1 169 . 1 1 26 26 HIS HB3 H 1 3.121 0.000 . 2 . . . . A 26 HIS HB3 . c30498_6e5j 1 170 . 1 1 26 26 HIS HD2 H 1 7.218 0.000 . 4 . . . . A 26 HIS HD2 . c30498_6e5j 1 171 . 1 1 26 26 HIS HE1 H 1 8.645 0.000 . 4 . . . . A 26 HIS HE1 . c30498_6e5j 1 172 . 1 1 27 27 CYS H H 1 9.142 0.000 . 1 . . . . A 27 CYS H . c30498_6e5j 1 173 . 1 1 27 27 CYS HA H 1 4.916 0.004 . 1 . . . . A 27 CYS HA . c30498_6e5j 1 174 . 1 1 27 27 CYS HB2 H 1 3.203 0.003 . 2 . . . . A 27 CYS HB2 . c30498_6e5j 1 175 . 1 1 27 27 CYS HB3 H 1 2.931 0.001 . 2 . . . . A 27 CYS HB3 . c30498_6e5j 1 176 . 1 1 28 28 NH2 HN1 H 1 7.183 0.000 . 2 . . . . A 28 NH2 HN1 . c30498_6e5j 1 177 . 1 1 28 28 NH2 HN2 H 1 7.668 0.001 . 2 . . . . A 28 NH2 HN2 . c30498_6e5j 1 stop_ save_ ############################## # Structure determinations # ############################## ########################## # Conformer statistics # ########################## save_conformer_statistics _Conformer_stat_list.Sf_category conformer_statistics _Conformer_stat_list.Sf_framecode conformer_statistics _Conformer_stat_list.Entry_ID c30498_6e5j _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_ ##################################### # Conformer family coordinate set # ##################################### 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 c30498_6e5j _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 . . . c30498_6e5j 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 . . . . c30498_6e5j 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 ASN C C 11.089 -3.884 -0.602 . . . 1.0 . . . . . . . . . . . . A . 1 ASN C . . . . . . . . . c30498_6e5j 1 . 1 . 2 . 1 1 1 ASN CA C 12.265 -3.526 0.295 . . . 1.0 . . . . . . . . . . . . A . 1 ASN CA . . . . . . . . . c30498_6e5j 1 . 1 . 3 . 1 1 1 ASN CB C 12.067 -2.126 0.882 . . . 1.0 . . . . . . . . . . . . A . 1 ASN CB . . . . . . . . . c30498_6e5j 1 . 1 . 4 . 1 1 1 ASN CG C 10.947 -2.058 1.908 . . . 1.0 . . . . . . . . . . . . A . 1 ASN CG . . . . . . . . . c30498_6e5j 1 . 1 . 5 . 1 1 1 ASN H1 H 13.477 -2.894 -1.268 . . . 1.0 . . . . . . . . . . . . A . 1 ASN H1 . . . . . . . . . c30498_6e5j 1 . 1 . 6 . 1 1 1 ASN H2 H 13.654 -4.527 -0.883 . . . 1.0 . . . . . . . . . . . . A . 1 ASN H2 . . . . . . . . . c30498_6e5j 1 . 1 . 7 . 1 1 1 ASN H3 H 14.331 -3.346 0.118 . . . 1.0 . . . . . . . . . . . . A . 1 ASN H3 . . . . . . . . . c30498_6e5j 1 . 1 . 8 . 1 1 1 ASN HA H 12.331 -4.246 1.097 . . . 1.0 . . . . . . . . . . . . A . 1 ASN HA . . . . . . . . . c30498_6e5j 1 . 1 . 9 . 1 1 1 ASN HB2 H 12.982 -1.813 1.359 . . . 1.0 . . . . . . . . . . . . A . 1 ASN HB2 . . . . . . . . . c30498_6e5j 1 . 1 . 10 . 1 1 1 ASN HB3 H 11.834 -1.440 0.080 . . . 1.0 . . . . . . . . . . . . A . 1 ASN HB3 . . . . . . . . . c30498_6e5j 1 . 1 . 11 . 1 1 1 ASN HD21 H 11.842 -0.538 2.819 . . . 1.0 . . . . . . . . . . . . A . 1 ASN HD21 . . . . . . . . . c30498_6e5j 1 . 1 . 12 . 1 1 1 ASN HD22 H 10.345 -1.060 3.515 . . . 1.0 . . . . . . . . . . . . A . 1 ASN HD22 . . . . . . . . . c30498_6e5j 1 . 1 . 13 . 1 1 1 ASN N N 13.519 -3.577 -0.487 . . . 1.0 . . . . . . . . . . . . A . 1 ASN N . . . . . . . . . c30498_6e5j 1 . 1 . 14 . 1 1 1 ASN ND2 N 11.056 -1.126 2.842 . . . 1.0 . . . . . . . . . . . . A . 1 ASN ND2 . . . . . . . . . c30498_6e5j 1 . 1 . 15 . 1 1 1 ASN O O 10.847 -3.223 -1.612 . . . 1.0 . . . . . . . . . . . . A . 1 ASN O . . . . . . . . . c30498_6e5j 1 . 1 . 16 . 1 1 1 ASN OD1 O 9.993 -2.830 1.866 . . . 1.0 . . . . . . . . . . . . A . 1 ASN OD1 . . . . . . . . . c30498_6e5j 1 . 1 . 17 . 1 1 2 ASP C C 7.916 -5.022 -0.425 . . . 1.0 . . . . . . . . . . . . A . 2 ASP C . . . . . . . . . c30498_6e5j 1 . 1 . 18 . 1 1 2 ASP CA C 9.251 -5.413 -1.044 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CA . . . . . . . . . c30498_6e5j 1 . 1 . 19 . 1 1 2 ASP CB C 9.320 -6.932 -1.203 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CB . . . . . . . . . c30498_6e5j 1 . 1 . 20 . 1 1 2 ASP CG C 9.040 -7.673 0.089 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CG . . . . . . . . . c30498_6e5j 1 . 1 . 21 . 1 1 2 ASP H H 10.592 -5.403 0.595 . . . 1.0 . . . . . . . . . . . . A . 2 ASP H . . . . . . . . . c30498_6e5j 1 . 1 . 22 . 1 1 2 ASP HA H 9.327 -4.954 -2.019 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HA . . . . . . . . . c30498_6e5j 1 . 1 . 23 . 1 1 2 ASP HB2 H 8.591 -7.241 -1.936 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HB2 . . . . . . . . . c30498_6e5j 1 . 1 . 24 . 1 1 2 ASP HB3 H 10.305 -7.205 -1.546 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HB3 . . . . . . . . . c30498_6e5j 1 . 1 . 25 . 1 1 2 ASP N N 10.367 -4.933 -0.238 . . . 1.0 . . . . . . . . . . . . A . 2 ASP N . . . . . . . . . c30498_6e5j 1 . 1 . 26 . 1 1 2 ASP O O 6.854 -5.417 -0.912 . . . 1.0 . . . . . . . . . . . . A . 2 ASP O . . . . . . . . . c30498_6e5j 1 . 1 . 27 . 1 1 2 ASP OD1 O 7.972 -8.309 0.196 . . . 1.0 . . . . . . . . . . . . A . 2 ASP OD1 . . . . . . . . . c30498_6e5j 1 . 1 . 28 . 1 1 2 ASP OD2 O 9.886 -7.620 1.008 . . . 1.0 . . . . . . . . . . . . A . 2 ASP OD2 . . . . . . . . . c30498_6e5j 1 . 1 . 29 . 1 1 3 B3K C C 5.292 -2.113 0.174 . . . 1.0 . . . . . . . . . . . . A . 3 B3K C . . . . . . . . . c30498_6e5j 1 . 1 . 30 . 1 1 3 B3K CA C 6.501 -2.333 1.044 . . . 1.0 . . . . . . . . . . . . A . 3 B3K CA . . . . . . . . . c30498_6e5j 1 . 1 . 31 . 1 1 3 B3K CB C 6.758 -3.814 1.308 . . . 1.0 . . . . . . . . . . . . A . 3 B3K CB . . . . . . . . . c30498_6e5j 1 . 1 . 32 . 1 1 3 B3K CD C 7.106 -5.445 3.258 . . . 1.0 . . . . . . . . . . . . A . 3 B3K CD . . . . . . . . . c30498_6e5j 1 . 1 . 33 . 1 1 3 B3K CE C 5.957 -6.342 2.830 . . . 1.0 . . . . . . . . . . . . A . 3 B3K CE . . . . . . . . . c30498_6e5j 1 . 1 . 34 . 1 1 3 B3K CF C 6.146 -7.770 3.314 . . . 1.0 . . . . . . . . . . . . A . 3 B3K CF . . . . . . . . . c30498_6e5j 1 . 1 . 35 . 1 1 3 B3K CG C 6.881 -4.002 2.827 . . . 1.0 . . . . . . . . . . . . A . 3 B3K CG . . . . . . . . . c30498_6e5j 1 . 1 . 36 . 1 1 3 B3K H H 8.839 -3.965 1.003 . . . 1.0 . . . . . . . . . . . . A . 3 B3K H . . . . . . . . . c30498_6e5j 1 . 1 . 37 . 1 1 3 B3K HA1 H 6.342 -1.832 1.986 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HA1 . . . . . . . . . c30498_6e5j 1 . 1 . 38 . 1 1 3 B3K HA2 H 7.361 -1.905 0.549 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HA2 . . . . . . . . . c30498_6e5j 1 . 1 . 39 . 1 1 3 B3K HB H 5.937 -4.411 0.888 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HB . . . . . . . . . c30498_6e5j 1 . 1 . 40 . 1 1 3 B3K HD2 H 7.197 -5.478 4.334 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HD2 . . . . . . . . . c30498_6e5j 1 . 1 . 41 . 1 1 3 B3K HD3 H 8.018 -5.807 2.808 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HD3 . . . . . . . . . c30498_6e5j 1 . 1 . 42 . 1 1 3 B3K HE2 H 5.899 -6.343 1.751 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HE2 . . . . . . . . . c30498_6e5j 1 . 1 . 43 . 1 1 3 B3K HE3 H 5.038 -5.954 3.240 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HE3 . . . . . . . . . c30498_6e5j 1 . 1 . 44 . 1 1 3 B3K HF1 H 5.314 -8.366 2.968 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HF1 . . . . . . . . . c30498_6e5j 1 . 1 . 45 . 1 1 3 B3K HF2 H 6.164 -7.772 4.393 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HF2 . . . . . . . . . c30498_6e5j 1 . 1 . 46 . 1 1 3 B3K HG2 H 5.975 -3.647 3.294 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HG2 . . . . . . . . . c30498_6e5j 1 . 1 . 47 . 1 1 3 B3K HG3 H 7.711 -3.411 3.183 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HG3 . . . . . . . . . c30498_6e5j 1 . 1 . 48 . 1 1 3 B3K HNZ1 H 7.467 -8.282 1.771 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HNZ1 . . . . . . . . . c30498_6e5j 1 . 1 . 49 . 1 1 3 B3K HNZ2 H 7.452 -9.377 3.061 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HNZ2 . . . . . . . . . c30498_6e5j 1 . 1 . 50 . 1 1 3 B3K N N 7.966 -4.253 0.653 . . . 1.0 . . . . . . . . . . . . A . 3 B3K N . . . . . . . . . c30498_6e5j 1 . 1 . 51 . 1 1 3 B3K NZ N 7.410 -8.370 2.811 . . . 1.0 . . . . . . . . . . . . A . 3 B3K NZ . . . . . . . . . c30498_6e5j 1 . 1 . 52 . 1 1 3 B3K O O 4.176 -2.522 0.513 . . . 1.0 . . . . . . . . . . . . A . 3 B3K O . . . . . . . . . c30498_6e5j 1 . 1 . 53 . 1 1 4 CYS C C 3.986 -2.580 -2.501 . . . 1.0 . . . . . . . . . . . . A . 4 CYS C . . . . . . . . . c30498_6e5j 1 . 1 . 54 . 1 1 4 CYS CA C 4.477 -1.255 -1.947 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CA . . . . . . . . . c30498_6e5j 1 . 1 . 55 . 1 1 4 CYS CB C 4.982 -0.376 -3.095 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CB . . . . . . . . . c30498_6e5j 1 . 1 . 56 . 1 1 4 CYS H H 6.429 -1.155 -1.162 . . . 1.0 . . . . . . . . . . . . A . 4 CYS H . . . . . . . . . c30498_6e5j 1 . 1 . 57 . 1 1 4 CYS HA H 3.658 -0.756 -1.451 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HA . . . . . . . . . c30498_6e5j 1 . 1 . 58 . 1 1 4 CYS HB2 H 5.794 -0.881 -3.595 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB2 . . . . . . . . . c30498_6e5j 1 . 1 . 59 . 1 1 4 CYS HB3 H 4.176 -0.225 -3.797 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB3 . . . . . . . . . c30498_6e5j 1 . 1 . 60 . 1 1 4 CYS N N 5.523 -1.478 -0.969 . . . 1.0 . . . . . . . . . . . . A . 4 CYS N . . . . . . . . . c30498_6e5j 1 . 1 . 61 . 1 1 4 CYS O O 2.793 -2.861 -2.455 . . . 1.0 . . . . . . . . . . . . A . 4 CYS O . . . . . . . . . c30498_6e5j 1 . 1 . 62 . 1 1 4 CYS SG S 5.587 1.265 -2.586 . . . 1.0 . . . . . . . . . . . . A . 4 CYS SG . . . . . . . . . c30498_6e5j 1 . 1 . 63 . 1 1 5 LYS C C 3.630 -5.484 -2.816 . . . 1.0 . . . . . . . . . . . . A . 5 LYS C . . . . . . . . . c30498_6e5j 1 . 1 . 64 . 1 1 5 LYS CA C 4.605 -4.661 -3.646 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CA . . . . . . . . . c30498_6e5j 1 . 1 . 65 . 1 1 5 LYS CB C 5.879 -5.466 -3.903 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CB . . . . . . . . . c30498_6e5j 1 . 1 . 66 . 1 1 5 LYS CD C 8.157 -5.552 -4.967 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CD . . . . . . . . . c30498_6e5j 1 . 1 . 67 . 1 1 5 LYS CE C 7.937 -6.977 -5.451 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CE . . . . . . . . . c30498_6e5j 1 . 1 . 68 . 1 1 5 LYS CG C 6.847 -4.787 -4.856 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CG . . . . . . . . . c30498_6e5j 1 . 1 . 69 . 1 1 5 LYS H H 5.871 -3.141 -2.886 . . . 1.0 . . . . . . . . . . . . A . 5 LYS H . . . . . . . . . c30498_6e5j 1 . 1 . 70 . 1 1 5 LYS HA H 4.143 -4.429 -4.593 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HA . . . . . . . . . c30498_6e5j 1 . 1 . 71 . 1 1 5 LYS HB2 H 6.385 -5.627 -2.964 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HB2 . . . . . . . . . c30498_6e5j 1 . 1 . 72 . 1 1 5 LYS HB3 H 5.604 -6.421 -4.323 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HB3 . . . . . . . . . c30498_6e5j 1 . 1 . 73 . 1 1 5 LYS HD2 H 8.800 -5.042 -5.668 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HD2 . . . . . . . . . c30498_6e5j 1 . 1 . 74 . 1 1 5 LYS HD3 H 8.628 -5.580 -3.997 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HD3 . . . . . . . . . c30498_6e5j 1 . 1 . 75 . 1 1 5 LYS HE2 H 7.314 -7.493 -4.738 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HE2 . . . . . . . . . c30498_6e5j 1 . 1 . 76 . 1 1 5 LYS HE3 H 7.438 -6.946 -6.407 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HE3 . . . . . . . . . c30498_6e5j 1 . 1 . 77 . 1 1 5 LYS HG2 H 6.392 -4.729 -5.833 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HG2 . . . . . . . . . c30498_6e5j 1 . 1 . 78 . 1 1 5 LYS HG3 H 7.051 -3.791 -4.493 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HG3 . . . . . . . . . c30498_6e5j 1 . 1 . 79 . 1 1 5 LYS HZ1 H 9.030 -8.686 -5.935 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ1 . . . . . . . . . c30498_6e5j 1 . 1 . 80 . 1 1 5 LYS HZ2 H 9.706 -7.776 -4.682 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ2 . . . . . . . . . c30498_6e5j 1 . 1 . 81 . 1 1 5 LYS HZ3 H 9.833 -7.240 -6.280 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ3 . . . . . . . . . c30498_6e5j 1 . 1 . 82 . 1 1 5 LYS N N 4.926 -3.396 -2.986 . . . 1.0 . . . . . . . . . . . . A . 5 LYS N . . . . . . . . . c30498_6e5j 1 . 1 . 83 . 1 1 5 LYS NZ N 9.216 -7.719 -5.597 . . . 1.0 . . . . . . . . . . . . A . 5 LYS NZ . . . . . . . . . c30498_6e5j 1 . 1 . 84 . 1 1 5 LYS O O 2.462 -5.626 -3.181 . . . 1.0 . . . . . . . . . . . . A . 5 LYS O . . . . . . . . . c30498_6e5j 1 . 1 . 85 . 1 1 6 B3E C C 1.915 -5.639 0.960 . . . 1.0 . . . . . . . . . . . . A . 6 B3E C . . . . . . . . . c30498_6e5j 1 . 1 . 86 . 1 1 6 B3E CA C 3.237 -6.266 0.587 . . . 1.0 . . . . . . . . . . . . A . 6 B3E CA . . . . . . . . . c30498_6e5j 1 . 1 . 87 . 1 1 6 B3E CB C 3.241 -6.802 -0.840 . . . 1.0 . . . . . . . . . . . . A . 6 B3E CB . . . . . . . . . c30498_6e5j 1 . 1 . 88 . 1 1 6 B3E CD C 3.695 -8.929 -2.165 . . . 1.0 . . . . . . . . . . . . A . 6 B3E CD . . . . . . . . . c30498_6e5j 1 . 1 . 89 . 1 1 6 B3E CE C 4.292 -10.317 -2.150 . . . 1.0 . . . . . . . . . . . . A . 6 B3E CE . . . . . . . . . c30498_6e5j 1 . 1 . 90 . 1 1 6 B3E CG C 3.734 -8.253 -0.806 . . . 1.0 . . . . . . . . . . . . A . 6 B3E CG . . . . . . . . . c30498_6e5j 1 . 1 . 91 . 1 1 6 B3E H H 5.040 -5.870 -1.445 . . . 1.0 . . . . . . . . . . . . A . 6 B3E H . . . . . . . . . c30498_6e5j 1 . 1 . 92 . 1 1 6 B3E HA1 H 3.434 -7.079 1.268 . . . 1.0 . . . . . . . . . . . . A . 6 B3E HA1 . . . . . . . . . c30498_6e5j 1 . 1 . 93 . 1 1 6 B3E HA2 H 4.009 -5.518 0.689 . . . 1.0 . . . . . . . . . . . . A . 6 B3E HA2 . . . . . . . . . c30498_6e5j 1 . 1 . 94 . 1 1 6 B3E HB H 2.228 -6.726 -1.263 . . . 1.0 . . . . . . . . . . . . A . 6 B3E HB . . . . . . . . . c30498_6e5j 1 . 1 . 95 . 1 1 6 B3E HD2 H 4.246 -8.324 -2.870 . . . 1.0 . . . . . . . . . . . . A . 6 B3E HD2 . . . . . . . . . c30498_6e5j 1 . 1 . 96 . 1 1 6 B3E HD3 H 2.667 -9.004 -2.486 . . . 1.0 . . . . . . . . . . . . A . 6 B3E HD3 . . . . . . . . . c30498_6e5j 1 . 1 . 97 . 1 1 6 B3E HG2 H 3.114 -8.816 -0.127 . . . 1.0 . . . . . . . . . . . . A . 6 B3E HG2 . . . . . . . . . c30498_6e5j 1 . 1 . 98 . 1 1 6 B3E HG3 H 4.753 -8.267 -0.447 . . . 1.0 . . . . . . . . . . . . A . 6 B3E HG3 . . . . . . . . . c30498_6e5j 1 . 1 . 99 . 1 1 6 B3E N N 4.097 -6.017 -1.697 . . . 1.0 . . . . . . . . . . . . A . 6 B3E N . . . . . . . . . c30498_6e5j 1 . 1 . 100 . 1 1 6 B3E O O 0.941 -6.327 1.300 . . . 1.0 . . . . . . . . . . . . A . 6 B3E O . . . . . . . . . c30498_6e5j 1 . 1 . 101 . 1 1 6 B3E OF1 O 3.611 -11.260 -1.697 . . . 1.0 . . . . . . . . . . . . A . 6 B3E OF1 . . . . . . . . . c30498_6e5j 1 . 1 . 102 . 1 1 6 B3E OF2 O 5.439 -10.479 -2.620 . . . 1.0 . . . . . . . . . . . . A . 6 B3E OF2 . . . . . . . . . c30498_6e5j 1 . 1 . 103 . 1 1 7 LEU C C -0.283 -3.553 0.020 . . . 1.0 . . . . . . . . . . . . A . 7 LEU C . . . . . . . . . c30498_6e5j 1 . 1 . 104 . 1 1 7 LEU CA C 0.681 -3.563 1.200 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CA . . . . . . . . . c30498_6e5j 1 . 1 . 105 . 1 1 7 LEU CB C 1.039 -2.133 1.610 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CB . . . . . . . . . c30498_6e5j 1 . 1 . 106 . 1 1 7 LEU CD1 C 2.377 -0.586 3.055 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CD1 . . . . . . . . . c30498_6e5j 1 . 1 . 107 . 1 1 7 LEU CD2 C 1.183 -2.509 4.090 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CD2 . . . . . . . . . c30498_6e5j 1 . 1 . 108 . 1 1 7 LEU CG C 1.923 -2.020 2.856 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CG . . . . . . . . . c30498_6e5j 1 . 1 . 109 . 1 1 7 LEU H H 2.691 -3.826 0.609 . . . 1.0 . . . . . . . . . . . . A . 7 LEU H . . . . . . . . . c30498_6e5j 1 . 1 . 110 . 1 1 7 LEU HA H 0.200 -4.054 2.032 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HA . . . . . . . . . c30498_6e5j 1 . 1 . 111 . 1 1 7 LEU HB2 H 1.553 -1.663 0.784 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HB2 . . . . . . . . . c30498_6e5j 1 . 1 . 112 . 1 1 7 LEU HB3 H 0.124 -1.594 1.796 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HB3 . . . . . . . . . c30498_6e5j 1 . 1 . 113 . 1 1 7 LEU HD11 H 1.514 0.053 3.163 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD11 . . . . . . . . . c30498_6e5j 1 . 1 . 114 . 1 1 7 LEU HD12 H 2.956 -0.272 2.200 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD12 . . . . . . . . . c30498_6e5j 1 . 1 . 115 . 1 1 7 LEU HD13 H 2.985 -0.523 3.945 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD13 . . . . . . . . . c30498_6e5j 1 . 1 . 116 . 1 1 7 LEU HD21 H 0.925 -3.550 3.969 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD21 . . . . . . . . . c30498_6e5j 1 . 1 . 117 . 1 1 7 LEU HD22 H 0.282 -1.928 4.221 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD22 . . . . . . . . . c30498_6e5j 1 . 1 . 118 . 1 1 7 LEU HD23 H 1.815 -2.392 4.957 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD23 . . . . . . . . . c30498_6e5j 1 . 1 . 119 . 1 1 7 LEU HG H 2.802 -2.635 2.726 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HG . . . . . . . . . c30498_6e5j 1 . 1 . 120 . 1 1 7 LEU N N 1.879 -4.314 0.884 . . . 1.0 . . . . . . . . . . . . A . 7 LEU N . . . . . . . . . c30498_6e5j 1 . 1 . 121 . 1 1 7 LEU O O -1.472 -3.818 0.192 . . . 1.0 . . . . . . . . . . . . A . 7 LEU O . . . . . . . . . c30498_6e5j 1 . 1 . 122 . 1 1 8 LYS C C -1.158 -4.663 -2.603 . . . 1.0 . . . . . . . . . . . . A . 8 LYS C . . . . . . . . . c30498_6e5j 1 . 1 . 123 . 1 1 8 LYS CA C -0.615 -3.261 -2.373 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CA . . . . . . . . . c30498_6e5j 1 . 1 . 124 . 1 1 8 LYS CB C 0.158 -2.772 -3.600 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CB . . . . . . . . . c30498_6e5j 1 . 1 . 125 . 1 1 8 LYS CD C 0.087 -1.960 -5.974 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CD . . . . . . . . . c30498_6e5j 1 . 1 . 126 . 1 1 8 LYS CE C -0.801 -1.439 -7.093 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CE . . . . . . . . . c30498_6e5j 1 . 1 . 127 . 1 1 8 LYS CG C -0.731 -2.387 -4.766 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CG . . . . . . . . . c30498_6e5j 1 . 1 . 128 . 1 1 8 LYS H H 1.186 -3.062 -1.269 . . . 1.0 . . . . . . . . . . . . A . 8 LYS H . . . . . . . . . c30498_6e5j 1 . 1 . 129 . 1 1 8 LYS HA H -1.444 -2.594 -2.186 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HA . . . . . . . . . c30498_6e5j 1 . 1 . 130 . 1 1 8 LYS HB2 H 0.743 -1.908 -3.320 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB2 . . . . . . . . . c30498_6e5j 1 . 1 . 131 . 1 1 8 LYS HB3 H 0.826 -3.556 -3.927 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB3 . . . . . . . . . c30498_6e5j 1 . 1 . 132 . 1 1 8 LYS HD2 H 0.771 -1.180 -5.678 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD2 . . . . . . . . . c30498_6e5j 1 . 1 . 133 . 1 1 8 LYS HD3 H 0.644 -2.811 -6.337 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD3 . . . . . . . . . c30498_6e5j 1 . 1 . 134 . 1 1 8 LYS HE2 H -1.370 -0.599 -6.721 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE2 . . . . . . . . . c30498_6e5j 1 . 1 . 135 . 1 1 8 LYS HE3 H -0.175 -1.112 -7.908 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE3 . . . . . . . . . c30498_6e5j 1 . 1 . 136 . 1 1 8 LYS HG2 H -1.336 -3.235 -5.037 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG2 . . . . . . . . . c30498_6e5j 1 . 1 . 137 . 1 1 8 LYS HG3 H -1.368 -1.568 -4.466 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG3 . . . . . . . . . c30498_6e5j 1 . 1 . 138 . 1 1 8 LYS HZ1 H -2.367 -2.072 -8.316 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ1 . . . . . . . . . c30498_6e5j 1 . 1 . 139 . 1 1 8 LYS HZ2 H -2.327 -2.836 -6.811 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ2 . . . . . . . . . c30498_6e5j 1 . 1 . 140 . 1 1 8 LYS HZ3 H -1.214 -3.270 -8.008 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ3 . . . . . . . . . c30498_6e5j 1 . 1 . 141 . 1 1 8 LYS N N 0.228 -3.266 -1.182 . . . 1.0 . . . . . . . . . . . . A . 8 LYS N . . . . . . . . . c30498_6e5j 1 . 1 . 142 . 1 1 8 LYS NZ N -1.743 -2.476 -7.590 . . . 1.0 . . . . . . . . . . . . A . 8 LYS NZ . . . . . . . . . c30498_6e5j 1 . 1 . 143 . 1 1 8 LYS O O -2.331 -4.849 -2.921 . . . 1.0 . . . . . . . . . . . . A . 8 LYS O . . . . . . . . . c30498_6e5j 1 . 1 . 144 . 1 1 9 B3K C C -1.494 -8.290 -0.530 . . . 1.0 . . . . . . . . . . . . A . 9 B3K C . . . . . . . . . c30498_6e5j 1 . 1 . 145 . 1 1 9 B3K CA C -0.298 -7.773 -1.291 . . . 1.0 . . . . . . . . . . . . A . 9 B3K CA . . . . . . . . . c30498_6e5j 1 . 1 . 146 . 1 1 9 B3K CB C -0.663 -7.033 -2.574 . . . 1.0 . . . . . . . . . . . . A . 9 B3K CB . . . . . . . . . c30498_6e5j 1 . 1 . 147 . 1 1 9 B3K CD C -0.119 -7.062 -5.084 . . . 1.0 . . . . . . . . . . . . A . 9 B3K CD . . . . . . . . . c30498_6e5j 1 . 1 . 148 . 1 1 9 B3K CE C 0.662 -7.781 -6.176 . . . 1.0 . . . . . . . . . . . . A . 9 B3K CE . . . . . . . . . c30498_6e5j 1 . 1 . 149 . 1 1 9 B3K CF C 2.164 -7.731 -5.925 . . . 1.0 . . . . . . . . . . . . A . 9 B3K CF . . . . . . . . . c30498_6e5j 1 . 1 . 150 . 1 1 9 B3K CG C 0.097 -7.708 -3.725 . . . 1.0 . . . . . . . . . . . . A . 9 B3K CG . . . . . . . . . c30498_6e5j 1 . 1 . 151 . 1 1 9 B3K H H 0.661 -5.420 -2.278 . . . 1.0 . . . . . . . . . . . . A . 9 B3K H . . . . . . . . . c30498_6e5j 1 . 1 . 152 . 1 1 9 B3K HA1 H 0.331 -8.613 -1.542 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HA1 . . . . . . . . . c30498_6e5j 1 . 1 . 153 . 1 1 9 B3K HA2 H 0.246 -7.103 -0.644 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HA2 . . . . . . . . . c30498_6e5j 1 . 1 . 154 . 1 1 9 B3K HB H -1.749 -7.063 -2.725 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HB . . . . . . . . . c30498_6e5j 1 . 1 . 155 . 1 1 9 B3K HD2 H 0.206 -6.032 -5.040 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HD2 . . . . . . . . . c30498_6e5j 1 . 1 . 156 . 1 1 9 B3K HD3 H -1.171 -7.098 -5.326 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HD3 . . . . . . . . . c30498_6e5j 1 . 1 . 157 . 1 1 9 B3K HE2 H 0.451 -7.311 -7.125 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HE2 . . . . . . . . . c30498_6e5j 1 . 1 . 158 . 1 1 9 B3K HE3 H 0.350 -8.814 -6.207 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HE3 . . . . . . . . . c30498_6e5j 1 . 1 . 159 . 1 1 9 B3K HF1 H 2.373 -8.193 -4.971 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HF1 . . . . . . . . . c30498_6e5j 1 . 1 . 160 . 1 1 9 B3K HF2 H 2.480 -6.700 -5.900 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HF2 . . . . . . . . . c30498_6e5j 1 . 1 . 161 . 1 1 9 B3K HG2 H -0.215 -8.740 -3.789 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HG2 . . . . . . . . . c30498_6e5j 1 . 1 . 162 . 1 1 9 B3K HG3 H 1.153 -7.677 -3.504 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HG3 . . . . . . . . . c30498_6e5j 1 . 1 . 163 . 1 1 9 B3K HNZ1 H 3.951 -8.368 -6.801 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HNZ1 . . . . . . . . . c30498_6e5j 1 . 1 . 164 . 1 1 9 B3K HNZ2 H 2.723 -8.035 -7.914 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HNZ2 . . . . . . . . . c30498_6e5j 1 . 1 . 165 . 1 1 9 B3K N N -0.281 -5.644 -2.455 . . . 1.0 . . . . . . . . . . . . A . 9 B3K N . . . . . . . . . c30498_6e5j 1 . 1 . 166 . 1 1 9 B3K NZ N 2.929 -8.445 -6.982 . . . 1.0 . . . . . . . . . . . . A . 9 B3K NZ . . . . . . . . . c30498_6e5j 1 . 1 . 167 . 1 1 9 B3K O O -2.321 -9.033 -1.060 . . . 1.0 . . . . . . . . . . . . A . 9 B3K O . . . . . . . . . c30498_6e5j 1 . 1 . 168 . 1 1 10 ARG C C -3.923 -7.576 1.488 . . . 1.0 . . . . . . . . . . . . A . 10 ARG C . . . . . . . . . c30498_6e5j 1 . 1 . 169 . 1 1 10 ARG CA C -2.626 -8.364 1.632 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CA . . . . . . . . . c30498_6e5j 1 . 1 . 170 . 1 1 10 ARG CB C -2.148 -8.286 3.082 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CB . . . . . . . . . c30498_6e5j 1 . 1 . 171 . 1 1 10 ARG CD C -0.576 -9.094 4.859 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CD . . . . . . . . . c30498_6e5j 1 . 1 . 172 . 1 1 10 ARG CG C -0.975 -9.197 3.397 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CG . . . . . . . . . c30498_6e5j 1 . 1 . 173 . 1 1 10 ARG CZ C -0.668 -6.943 6.083 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CZ . . . . . . . . . c30498_6e5j 1 . 1 . 174 . 1 1 10 ARG H H -0.919 -7.230 1.070 . . . 1.0 . . . . . . . . . . . . A . 10 ARG H . . . . . . . . . c30498_6e5j 1 . 1 . 175 . 1 1 10 ARG HA H -2.819 -9.394 1.384 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HA . . . . . . . . . c30498_6e5j 1 . 1 . 176 . 1 1 10 ARG HB2 H -1.853 -7.267 3.296 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HB2 . . . . . . . . . c30498_6e5j 1 . 1 . 177 . 1 1 10 ARG HB3 H -2.968 -8.553 3.729 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HB3 . . . . . . . . . c30498_6e5j 1 . 1 . 178 . 1 1 10 ARG HD2 H -1.439 -9.315 5.468 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HD2 . . . . . . . . . c30498_6e5j 1 . 1 . 179 . 1 1 10 ARG HD3 H 0.198 -9.822 5.059 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HD3 . . . . . . . . . c30498_6e5j 1 . 1 . 180 . 1 1 10 ARG HE H 0.762 -7.470 4.780 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HE . . . . . . . . . c30498_6e5j 1 . 1 . 181 . 1 1 10 ARG HG2 H -1.254 -10.217 3.180 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HG2 . . . . . . . . . c30498_6e5j 1 . 1 . 182 . 1 1 10 ARG HG3 H -0.133 -8.912 2.783 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HG3 . . . . . . . . . c30498_6e5j 1 . 1 . 183 . 1 1 10 ARG HH11 H -2.274 -6.655 7.296 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH11 . . . . . . . . . c30498_6e5j 1 . 1 . 184 . 1 1 10 ARG HH12 H -2.282 -8.137 6.395 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH12 . . . . . . . . . c30498_6e5j 1 . 1 . 185 . 1 1 10 ARG HH21 H -0.546 -5.162 7.045 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH21 . . . . . . . . . c30498_6e5j 1 . 1 . 186 . 1 1 10 ARG HH22 H 0.769 -5.516 5.967 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH22 . . . . . . . . . c30498_6e5j 1 . 1 . 187 . 1 1 10 ARG N N -1.584 -7.877 0.732 . . . 1.0 . . . . . . . . . . . . A . 10 ARG N . . . . . . . . . c30498_6e5j 1 . 1 . 188 . 1 1 10 ARG NE N -0.078 -7.760 5.207 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NE . . . . . . . . . c30498_6e5j 1 . 1 . 189 . 1 1 10 ARG NH1 N -1.833 -7.274 6.635 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NH1 . . . . . . . . . c30498_6e5j 1 . 1 . 190 . 1 1 10 ARG NH2 N -0.104 -5.780 6.386 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NH2 . . . . . . . . . c30498_6e5j 1 . 1 . 191 . 1 1 10 ARG O O -4.998 -8.066 1.829 . . . 1.0 . . . . . . . . . . . . A . 10 ARG O . . . . . . . . . c30498_6e5j 1 . 1 . 192 . 1 1 11 TYR C C -5.577 -5.540 -0.526 . . . 1.0 . . . . . . . . . . . . A . 11 TYR C . . . . . . . . . c30498_6e5j 1 . 1 . 193 . 1 1 11 TYR CA C -4.992 -5.492 0.880 . . . 1.0 . . . . . . . . . . . . A . 11 TYR CA . . . . . . . . . c30498_6e5j 1 . 1 . 194 . 1 1 11 TYR CB C -4.618 -4.062 1.268 . . . 1.0 . . . . . . . . . . . . A . 11 TYR CB . . . . . . . . . c30498_6e5j 1 . 1 . 195 . 1 1 11 TYR CD1 C -4.970 -4.186 3.763 . . . 1.0 . . . . . . . . . . . . A . 11 TYR CD1 . . . . . . . . . c30498_6e5j 1 . 1 . 196 . 1 1 11 TYR CD2 C -2.806 -3.595 2.966 . . . 1.0 . . . . . . . . . . . . A . 11 TYR CD2 . . . . . . . . . c30498_6e5j 1 . 1 . 197 . 1 1 11 TYR CE1 C -4.524 -4.083 5.066 . . . 1.0 . . . . . . . . . . . . A . 11 TYR CE1 . . . . . . . . . c30498_6e5j 1 . 1 . 198 . 1 1 11 TYR CE2 C -2.352 -3.489 4.266 . . . 1.0 . . . . . . . . . . . . A . 11 TYR CE2 . . . . . . . . . c30498_6e5j 1 . 1 . 199 . 1 1 11 TYR CG C -4.121 -3.946 2.692 . . . 1.0 . . . . . . . . . . . . A . 11 TYR CG . . . . . . . . . c30498_6e5j 1 . 1 . 200 . 1 1 11 TYR CZ C -3.215 -3.734 5.312 . . . 1.0 . . . . . . . . . . . . A . 11 TYR CZ . . . . . . . . . c30498_6e5j 1 . 1 . 201 . 1 1 11 TYR H H -2.956 -6.031 0.674 . . . 1.0 . . . . . . . . . . . . A . 11 TYR H . . . . . . . . . c30498_6e5j 1 . 1 . 202 . 1 1 11 TYR HA H -5.733 -5.859 1.573 . . . 1.0 . . . . . . . . . . . . A . 11 TYR HA . . . . . . . . . c30498_6e5j 1 . 1 . 203 . 1 1 11 TYR HB2 H -3.836 -3.710 0.612 . . . 1.0 . . . . . . . . . . . . A . 11 TYR HB2 . . . . . . . . . c30498_6e5j 1 . 1 . 204 . 1 1 11 TYR HB3 H -5.484 -3.428 1.163 . . . 1.0 . . . . . . . . . . . . A . 11 TYR HB3 . . . . . . . . . c30498_6e5j 1 . 1 . 205 . 1 1 11 TYR HD1 H -5.995 -4.462 3.567 . . . 1.0 . . . . . . . . . . . . A . 11 TYR HD1 . . . . . . . . . c30498_6e5j 1 . 1 . 206 . 1 1 11 TYR HD2 H -2.134 -3.404 2.144 . . . 1.0 . . . . . . . . . . . . A . 11 TYR HD2 . . . . . . . . . c30498_6e5j 1 . 1 . 207 . 1 1 11 TYR HE1 H -5.203 -4.273 5.885 . . . 1.0 . . . . . . . . . . . . A . 11 TYR HE1 . . . . . . . . . c30498_6e5j 1 . 1 . 208 . 1 1 11 TYR HE2 H -1.327 -3.216 4.458 . . . 1.0 . . . . . . . . . . . . A . 11 TYR HE2 . . . . . . . . . c30498_6e5j 1 . 1 . 209 . 1 1 11 TYR HH H -3.068 -4.400 7.116 . . . 1.0 . . . . . . . . . . . . A . 11 TYR HH . . . . . . . . . c30498_6e5j 1 . 1 . 210 . 1 1 11 TYR N N -3.826 -6.357 0.986 . . . 1.0 . . . . . . . . . . . . A . 11 TYR N . . . . . . . . . c30498_6e5j 1 . 1 . 211 . 1 1 11 TYR O O -6.186 -4.577 -0.994 . . . 1.0 . . . . . . . . . . . . A . 11 TYR O . . . . . . . . . c30498_6e5j 1 . 1 . 212 . 1 1 11 TYR OH O -2.766 -3.630 6.610 . . . 1.0 . . . . . . . . . . . . A . 11 TYR OH . . . . . . . . . c30498_6e5j 1 . 1 . 213 . 1 1 12 ABA C C -7.390 -6.672 -2.657 . . . 1.0 . . . . . . . . . . . . A . 12 AIB C . . . . . . . . . c30498_6e5j 1 . 1 . 214 . 1 1 12 ABA CA C -5.881 -6.926 -2.543 . . . 1.0 . . . . . . . . . . . . A . 12 AIB CA . . . . . . . . . c30498_6e5j 1 . 1 . 215 . 1 1 12 ABA H H -4.966 -7.428 -0.696 . . . 1.0 . . . . . . . . . . . . A . 12 AIB H . . . . . . . . . c30498_6e5j 1 . 1 . 216 . 1 1 12 ABA N N -5.417 -6.696 -1.167 . . . 1.0 . . . . . . . . . . . . A . 12 AIB N . . . . . . . . . c30498_6e5j 1 . 1 . 217 . 1 1 12 ABA O O -7.870 -6.175 -3.679 . . . 1.0 . . . . . . . . . . . . A . 12 AIB O . . . . . . . . . c30498_6e5j 1 . 1 . 218 . 1 1 13 GLY C C -9.995 -5.471 -1.151 . . . 1.0 . . . . . . . . . . . . A . 13 GLY C . . . . . . . . . c30498_6e5j 1 . 1 . 219 . 1 1 13 GLY CA C -9.568 -6.841 -1.636 . . . 1.0 . . . . . . . . . . . . A . 13 GLY CA . . . . . . . . . c30498_6e5j 1 . 1 . 220 . 1 1 13 GLY H H -7.697 -7.391 -0.817 . . . 1.0 . . . . . . . . . . . . A . 13 GLY H . . . . . . . . . c30498_6e5j 1 . 1 . 221 . 1 1 13 GLY HA2 H -9.919 -6.979 -2.648 . . . 1.0 . . . . . . . . . . . . A . 13 GLY HA2 . . . . . . . . . c30498_6e5j 1 . 1 . 222 . 1 1 13 GLY HA3 H -10.020 -7.590 -1.006 . . . 1.0 . . . . . . . . . . . . A . 13 GLY HA3 . . . . . . . . . c30498_6e5j 1 . 1 . 223 . 1 1 13 GLY N N -8.130 -7.016 -1.613 . . . 1.0 . . . . . . . . . . . . A . 13 GLY N . . . . . . . . . c30498_6e5j 1 . 1 . 224 . 1 1 13 GLY O O -11.183 -5.208 -0.968 . . . 1.0 . . . . . . . . . . . . A . 13 GLY O . . . . . . . . . c30498_6e5j 1 . 1 . 225 . 1 1 14 CYS C C -8.600 -2.221 -1.337 . . . 1.0 . . . . . . . . . . . . A . 14 CYS C . . . . . . . . . c30498_6e5j 1 . 1 . 226 . 1 1 14 CYS CA C -9.289 -3.254 -0.459 . . . 1.0 . . . . . . . . . . . . A . 14 CYS CA . . . . . . . . . c30498_6e5j 1 . 1 . 227 . 1 1 14 CYS CB C -8.797 -3.131 0.980 . . . 1.0 . . . . . . . . . . . . A . 14 CYS CB . . . . . . . . . c30498_6e5j 1 . 1 . 228 . 1 1 14 CYS H H -8.096 -4.852 -1.144 . . . 1.0 . . . . . . . . . . . . A . 14 CYS H . . . . . . . . . c30498_6e5j 1 . 1 . 229 . 1 1 14 CYS HA H -10.355 -3.089 -0.487 . . . 1.0 . . . . . . . . . . . . A . 14 CYS HA . . . . . . . . . c30498_6e5j 1 . 1 . 230 . 1 1 14 CYS HB2 H -7.740 -3.354 1.010 . . . 1.0 . . . . . . . . . . . . A . 14 CYS HB2 . . . . . . . . . c30498_6e5j 1 . 1 . 231 . 1 1 14 CYS HB3 H -8.955 -2.119 1.322 . . . 1.0 . . . . . . . . . . . . A . 14 CYS HB3 . . . . . . . . . c30498_6e5j 1 . 1 . 232 . 1 1 14 CYS N N -9.025 -4.594 -0.952 . . . 1.0 . . . . . . . . . . . . A . 14 CYS N . . . . . . . . . c30498_6e5j 1 . 1 . 233 . 1 1 14 CYS O O -8.014 -2.566 -2.367 . . . 1.0 . . . . . . . . . . . . A . 14 CYS O . . . . . . . . . c30498_6e5j 1 . 1 . 234 . 1 1 14 CYS SG S -9.636 -4.253 2.146 . . . 1.0 . . . . . . . . . . . . A . 14 CYS SG . . . . . . . . . c30498_6e5j 1 . 1 . 235 . 1 1 15 GLU C C -6.598 0.292 -1.118 . . . 1.0 . . . . . . . . . . . . A . 15 GLU C . . . . . . . . . c30498_6e5j 1 . 1 . 236 . 1 1 15 GLU CA C -8.008 0.106 -1.663 . . . 1.0 . . . . . . . . . . . . A . 15 GLU CA . . . . . . . . . c30498_6e5j 1 . 1 . 237 . 1 1 15 GLU CB C -8.794 1.409 -1.553 . . . 1.0 . . . . . . . . . . . . A . 15 GLU CB . . . . . . . . . c30498_6e5j 1 . 1 . 238 . 1 1 15 GLU CD C -9.889 1.166 -3.804 . . . 1.0 . . . . . . . . . . . . A . 15 GLU CD . . . . . . . . . c30498_6e5j 1 . 1 . 239 . 1 1 15 GLU CG C -10.100 1.391 -2.322 . . . 1.0 . . . . . . . . . . . . A . 15 GLU CG . . . . . . . . . c30498_6e5j 1 . 1 . 240 . 1 1 15 GLU H H -9.195 -0.736 -0.129 . . . 1.0 . . . . . . . . . . . . A . 15 GLU H . . . . . . . . . c30498_6e5j 1 . 1 . 241 . 1 1 15 GLU HA H -7.948 -0.185 -2.701 . . . 1.0 . . . . . . . . . . . . A . 15 GLU HA . . . . . . . . . c30498_6e5j 1 . 1 . 242 . 1 1 15 GLU HB2 H -9.016 1.596 -0.514 . . . 1.0 . . . . . . . . . . . . A . 15 GLU HB2 . . . . . . . . . c30498_6e5j 1 . 1 . 243 . 1 1 15 GLU HB3 H -8.188 2.217 -1.934 . . . 1.0 . . . . . . . . . . . . A . 15 GLU HB3 . . . . . . . . . c30498_6e5j 1 . 1 . 244 . 1 1 15 GLU HG2 H -10.719 0.596 -1.938 . . . 1.0 . . . . . . . . . . . . A . 15 GLU HG2 . . . . . . . . . c30498_6e5j 1 . 1 . 245 . 1 1 15 GLU HG3 H -10.600 2.336 -2.182 . . . 1.0 . . . . . . . . . . . . A . 15 GLU HG3 . . . . . . . . . c30498_6e5j 1 . 1 . 246 . 1 1 15 GLU N N -8.680 -0.958 -0.941 . . . 1.0 . . . . . . . . . . . . A . 15 GLU N . . . . . . . . . c30498_6e5j 1 . 1 . 247 . 1 1 15 GLU O O -6.396 0.262 0.094 . . . 1.0 . . . . . . . . . . . . A . 15 GLU O . . . . . . . . . c30498_6e5j 1 . 1 . 248 . 1 1 15 GLU OE1 O -9.577 2.140 -4.521 . . . 1.0 . . . . . . . . . . . . A . 15 GLU OE1 . . . . . . . . . c30498_6e5j 1 . 1 . 249 . 1 1 15 GLU OE2 O -10.022 0.012 -4.260 . . . 1.0 . . . . . . . . . . . . A . 15 GLU OE2 . . . . . . . . . c30498_6e5j 1 . 1 . 250 . 1 1 16 MVA C C -3.273 1.128 -2.657 . . . 1.0 . . . . . . . . . . . . A . 16 MVA C . . . . . . . . . c30498_6e5j 1 . 1 . 251 . 1 1 16 MVA CA C -4.206 0.621 -1.550 . . . 1.0 . . . . . . . . . . . . A . 16 MVA CA . . . . . . . . . c30498_6e5j 1 . 1 . 252 . 1 1 16 MVA CB C -3.674 -0.725 -0.990 . . . 1.0 . . . . . . . . . . . . A . 16 MVA CB . . . . . . . . . c30498_6e5j 1 . 1 . 253 . 1 1 16 MVA CG1 C -3.859 -1.860 -1.988 . . . 1.0 . . . . . . . . . . . . A . 16 MVA CG1 . . . . . . . . . c30498_6e5j 1 . 1 . 254 . 1 1 16 MVA CG2 C -2.213 -0.594 -0.581 . . . 1.0 . . . . . . . . . . . . A . 16 MVA CG2 . . . . . . . . . c30498_6e5j 1 . 1 . 255 . 1 1 16 MVA CN C -5.935 0.636 -3.435 . . . 1.0 . . . . . . . . . . . . A . 16 MVA CN . . . . . . . . . c30498_6e5j 1 . 1 . 256 . 1 1 16 MVA HA H -4.156 1.336 -0.741 . . . 1.0 . . . . . . . . . . . . A . 16 MVA HA . . . . . . . . . c30498_6e5j 1 . 1 . 257 . 1 1 16 MVA HB H -4.246 -0.969 -0.106 . . . 1.0 . . . . . . . . . . . . A . 16 MVA HB . . . . . . . . . c30498_6e5j 1 . 1 . 258 . 1 1 16 MVA HG11 H -4.912 -1.989 -2.195 . . . 1.0 . . . . . . . . . . . . A . 16 MVA HG11 . . . . . . . . . c30498_6e5j 1 . 1 . 259 . 1 1 16 MVA HG12 H -3.459 -2.773 -1.575 . . . 1.0 . . . . . . . . . . . . A . 16 MVA HG12 . . . . . . . . . c30498_6e5j 1 . 1 . 260 . 1 1 16 MVA HG13 H -3.340 -1.620 -2.904 . . . 1.0 . . . . . . . . . . . . A . 16 MVA HG13 . . . . . . . . . c30498_6e5j 1 . 1 . 261 . 1 1 16 MVA HG21 H -2.117 0.180 0.165 . . . 1.0 . . . . . . . . . . . . A . 16 MVA HG21 . . . . . . . . . c30498_6e5j 1 . 1 . 262 . 1 1 16 MVA HG22 H -1.620 -0.333 -1.447 . . . 1.0 . . . . . . . . . . . . A . 16 MVA HG22 . . . . . . . . . c30498_6e5j 1 . 1 . 263 . 1 1 16 MVA HG23 H -1.865 -1.533 -0.177 . . . 1.0 . . . . . . . . . . . . A . 16 MVA HG23 . . . . . . . . . c30498_6e5j 1 . 1 . 264 . 1 1 16 MVA HN1 H -5.070 1.000 -3.969 . . . 1.0 . . . . . . . . . . . . A . 16 MVA HN1 . . . . . . . . . c30498_6e5j 1 . 1 . 265 . 1 1 16 MVA HN2 H -6.750 1.333 -3.553 . . . 1.0 . . . . . . . . . . . . A . 16 MVA HN2 . . . . . . . . . c30498_6e5j 1 . 1 . 266 . 1 1 16 MVA HN3 H -6.221 -0.326 -3.832 . . . 1.0 . . . . . . . . . . . . A . 16 MVA HN3 . . . . . . . . . c30498_6e5j 1 . 1 . 267 . 1 1 16 MVA N N -5.606 0.500 -1.998 . . . 1.0 . . . . . . . . . . . . A . 16 MVA N . . . . . . . . . c30498_6e5j 1 . 1 . 268 . 1 1 16 MVA O O -3.038 0.466 -3.676 . . . 1.0 . . . . . . . . . . . . A . 16 MVA O . . . . . . . . . c30498_6e5j 1 . 1 . 269 . 1 1 17 ARG C C -0.562 3.342 -2.758 . . . 1.0 . . . . . . . . . . . . A . 17 ARG C . . . . . . . . . c30498_6e5j 1 . 1 . 270 . 1 1 17 ARG CA C -1.883 2.968 -3.406 . . . 1.0 . . . . . . . . . . . . A . 17 ARG CA . . . . . . . . . c30498_6e5j 1 . 1 . 271 . 1 1 17 ARG CB C -2.561 4.223 -3.954 . . . 1.0 . . . . . . . . . . . . A . 17 ARG CB . . . . . . . . . c30498_6e5j 1 . 1 . 272 . 1 1 17 ARG CD C -4.565 5.263 -5.047 . . . 1.0 . . . . . . . . . . . . A . 17 ARG CD . . . . . . . . . c30498_6e5j 1 . 1 . 273 . 1 1 17 ARG CG C -3.908 3.964 -4.607 . . . 1.0 . . . . . . . . . . . . A . 17 ARG CG . . . . . . . . . c30498_6e5j 1 . 1 . 274 . 1 1 17 ARG CZ C -4.518 7.443 -3.886 . . . 1.0 . . . . . . . . . . . . A . 17 ARG CZ . . . . . . . . . c30498_6e5j 1 . 1 . 275 . 1 1 17 ARG H H -2.904 2.759 -1.573 . . . 1.0 . . . . . . . . . . . . A . 17 ARG H . . . . . . . . . c30498_6e5j 1 . 1 . 276 . 1 1 17 ARG HA H -1.698 2.277 -4.214 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HA . . . . . . . . . c30498_6e5j 1 . 1 . 277 . 1 1 17 ARG HB2 H -2.706 4.919 -3.142 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HB2 . . . . . . . . . c30498_6e5j 1 . 1 . 278 . 1 1 17 ARG HB3 H -1.910 4.673 -4.688 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HB3 . . . . . . . . . c30498_6e5j 1 . 1 . 279 . 1 1 17 ARG HD2 H -3.902 5.767 -5.730 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HD2 . . . . . . . . . c30498_6e5j 1 . 1 . 280 . 1 1 17 ARG HD3 H -5.492 5.032 -5.551 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HD3 . . . . . . . . . c30498_6e5j 1 . 1 . 281 . 1 1 17 ARG HE H -5.311 5.762 -3.142 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HE . . . . . . . . . c30498_6e5j 1 . 1 . 282 . 1 1 17 ARG HG2 H -3.764 3.333 -5.471 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HG2 . . . . . . . . . c30498_6e5j 1 . 1 . 283 . 1 1 17 ARG HG3 H -4.553 3.465 -3.898 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HG3 . . . . . . . . . c30498_6e5j 1 . 1 . 284 . 1 1 17 ARG HH11 H -3.661 7.453 -5.727 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HH11 . . . . . . . . . c30498_6e5j 1 . 1 . 285 . 1 1 17 ARG HH12 H -3.643 8.970 -4.890 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HH12 . . . . . . . . . c30498_6e5j 1 . 1 . 286 . 1 1 17 ARG HH21 H -4.570 9.151 -2.791 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HH21 . . . . . . . . . c30498_6e5j 1 . 1 . 287 . 1 1 17 ARG HH22 H -5.296 7.764 -2.038 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HH22 . . . . . . . . . c30498_6e5j 1 . 1 . 288 . 1 1 17 ARG N N -2.740 2.316 -2.437 . . . 1.0 . . . . . . . . . . . . A . 17 ARG N . . . . . . . . . c30498_6e5j 1 . 1 . 289 . 1 1 17 ARG NE N -4.846 6.151 -3.918 . . . 1.0 . . . . . . . . . . . . A . 17 ARG NE . . . . . . . . . c30498_6e5j 1 . 1 . 290 . 1 1 17 ARG NH1 N -3.890 8.000 -4.918 . . . 1.0 . . . . . . . . . . . . A . 17 ARG NH1 . . . . . . . . . c30498_6e5j 1 . 1 . 291 . 1 1 17 ARG NH2 N -4.817 8.177 -2.821 . . . 1.0 . . . . . . . . . . . . A . 17 ARG NH2 . . . . . . . . . c30498_6e5j 1 . 1 . 292 . 1 1 17 ARG O O -0.521 4.149 -1.831 . . . 1.0 . . . . . . . . . . . . A . 17 ARG O . . . . . . . . . c30498_6e5j 1 . 1 . 293 . 1 1 18 CYS C C 2.598 3.911 -3.660 . . . 1.0 . . . . . . . . . . . . A . 18 CYS C . . . . . . . . . c30498_6e5j 1 . 1 . 294 . 1 1 18 CYS CA C 1.819 3.042 -2.687 . . . 1.0 . . . . . . . . . . . . A . 18 CYS CA . . . . . . . . . c30498_6e5j 1 . 1 . 295 . 1 1 18 CYS CB C 2.581 1.753 -2.400 . . . 1.0 . . . . . . . . . . . . A . 18 CYS CB . . . . . . . . . c30498_6e5j 1 . 1 . 296 . 1 1 18 CYS H H 0.426 2.111 -3.973 . . . 1.0 . . . . . . . . . . . . A . 18 CYS H . . . . . . . . . c30498_6e5j 1 . 1 . 297 . 1 1 18 CYS HA H 1.680 3.583 -1.763 . . . 1.0 . . . . . . . . . . . . A . 18 CYS HA . . . . . . . . . c30498_6e5j 1 . 1 . 298 . 1 1 18 CYS HB2 H 1.938 1.080 -1.852 . . . 1.0 . . . . . . . . . . . . A . 18 CYS HB2 . . . . . . . . . c30498_6e5j 1 . 1 . 299 . 1 1 18 CYS HB3 H 2.863 1.295 -3.336 . . . 1.0 . . . . . . . . . . . . A . 18 CYS HB3 . . . . . . . . . c30498_6e5j 1 . 1 . 300 . 1 1 18 CYS N N 0.510 2.749 -3.232 . . . 1.0 . . . . . . . . . . . . A . 18 CYS N . . . . . . . . . c30498_6e5j 1 . 1 . 301 . 1 1 18 CYS O O 2.594 3.665 -4.868 . . . 1.0 . . . . . . . . . . . . A . 18 CYS O . . . . . . . . . c30498_6e5j 1 . 1 . 302 . 1 1 18 CYS SG S 4.098 1.996 -1.418 . . . 1.0 . . . . . . . . . . . . A . 18 CYS SG . . . . . . . . . c30498_6e5j 1 . 1 . 303 . 1 1 19 ASP C C 5.305 6.196 -3.228 . . . 1.0 . . . . . . . . . . . . A . 19 ASP C . . . . . . . . . c30498_6e5j 1 . 1 . 304 . 1 1 19 ASP CA C 4.037 5.823 -3.972 . . . 1.0 . . . . . . . . . . . . A . 19 ASP CA . . . . . . . . . c30498_6e5j 1 . 1 . 305 . 1 1 19 ASP CB C 3.243 7.077 -4.340 . . . 1.0 . . . . . . . . . . . . A . 19 ASP CB . . . . . . . . . c30498_6e5j 1 . 1 . 306 . 1 1 19 ASP CG C 3.913 7.889 -5.430 . . . 1.0 . . . . . . . . . . . . A . 19 ASP CG . . . . . . . . . c30498_6e5j 1 . 1 . 307 . 1 1 19 ASP H H 3.193 5.099 -2.176 . . . 1.0 . . . . . . . . . . . . A . 19 ASP H . . . . . . . . . c30498_6e5j 1 . 1 . 308 . 1 1 19 ASP HA H 4.301 5.291 -4.873 . . . 1.0 . . . . . . . . . . . . A . 19 ASP HA . . . . . . . . . c30498_6e5j 1 . 1 . 309 . 1 1 19 ASP HB2 H 2.262 6.787 -4.685 . . . 1.0 . . . . . . . . . . . . A . 19 ASP HB2 . . . . . . . . . c30498_6e5j 1 . 1 . 310 . 1 1 19 ASP HB3 H 3.142 7.699 -3.463 . . . 1.0 . . . . . . . . . . . . A . 19 ASP HB3 . . . . . . . . . c30498_6e5j 1 . 1 . 311 . 1 1 19 ASP N N 3.241 4.936 -3.145 . . . 1.0 . . . . . . . . . . . . A . 19 ASP N . . . . . . . . . c30498_6e5j 1 . 1 . 312 . 1 1 19 ASP O O 5.341 7.193 -2.505 . . . 1.0 . . . . . . . . . . . . A . 19 ASP O . . . . . . . . . c30498_6e5j 1 . 1 . 313 . 1 1 19 ASP OD1 O 4.441 8.983 -5.133 . . . 1.0 . . . . . . . . . . . . A . 19 ASP OD1 . . . . . . . . . c30498_6e5j 1 . 1 . 314 . 1 1 19 ASP OD2 O 3.907 7.447 -6.599 . . . 1.0 . . . . . . . . . . . . A . 19 ASP OD2 . . . . . . . . . c30498_6e5j 1 . 1 . 315 . 1 1 20 DPR C C 7.396 5.602 -1.142 . . . 1.0 . . . . . . . . . . . . A . 20 DPR C . . . . . . . . . c30498_6e5j 1 . 1 . 316 . 1 1 20 DPR CA C 7.615 5.554 -2.654 . . . 1.0 . . . . . . . . . . . . A . 20 DPR CA . . . . . . . . . c30498_6e5j 1 . 1 . 317 . 1 1 20 DPR CB C 8.428 4.319 -3.038 . . . 1.0 . . . . . . . . . . . . A . 20 DPR CB . . . . . . . . . c30498_6e5j 1 . 1 . 318 . 1 1 20 DPR CD C 6.408 4.229 -4.302 . . . 1.0 . . . . . . . . . . . . A . 20 DPR CD . . . . . . . . . c30498_6e5j 1 . 1 . 319 . 1 1 20 DPR CG C 7.868 3.886 -4.347 . . . 1.0 . . . . . . . . . . . . A . 20 DPR CG . . . . . . . . . c30498_6e5j 1 . 1 . 320 . 1 1 20 DPR HA H 8.142 6.438 -2.971 . . . 1.0 . . . . . . . . . . . . A . 20 DPR HA . . . . . . . . . c30498_6e5j 1 . 1 . 321 . 1 1 20 DPR HB2 H 8.304 3.556 -2.286 . . . 1.0 . . . . . . . . . . . . A . 20 DPR HB2 . . . . . . . . . c30498_6e5j 1 . 1 . 322 . 1 1 20 DPR HB3 H 9.470 4.585 -3.122 . . . 1.0 . . . . . . . . . . . . A . 20 DPR HB3 . . . . . . . . . c30498_6e5j 1 . 1 . 323 . 1 1 20 DPR HD2 H 5.836 3.400 -3.912 . . . 1.0 . . . . . . . . . . . . A . 20 DPR HD2 . . . . . . . . . c30498_6e5j 1 . 1 . 324 . 1 1 20 DPR HD3 H 6.057 4.503 -5.286 . . . 1.0 . . . . . . . . . . . . A . 20 DPR HD3 . . . . . . . . . c30498_6e5j 1 . 1 . 325 . 1 1 20 DPR HG2 H 8.000 2.821 -4.470 . . . 1.0 . . . . . . . . . . . . A . 20 DPR HG2 . . . . . . . . . c30498_6e5j 1 . 1 . 326 . 1 1 20 DPR HG3 H 8.354 4.420 -5.149 . . . 1.0 . . . . . . . . . . . . A . 20 DPR HG3 . . . . . . . . . c30498_6e5j 1 . 1 . 327 . 1 1 20 DPR N N 6.358 5.382 -3.385 . . . 1.0 . . . . . . . . . . . . A . 20 DPR N . . . . . . . . . c30498_6e5j 1 . 1 . 328 . 1 1 20 DPR O O 7.009 4.608 -0.528 . . . 1.0 . . . . . . . . . . . . A . 20 DPR O . . . . . . . . . c30498_6e5j 1 . 1 . 329 . 1 1 21 PRO C C 5.994 7.023 1.346 . . . 1.0 . . . . . . . . . . . . A . 21 PRO C . . . . . . . . . c30498_6e5j 1 . 1 . 330 . 1 1 21 PRO CA C 7.461 6.956 0.916 . . . 1.0 . . . . . . . . . . . . A . 21 PRO CA . . . . . . . . . c30498_6e5j 1 . 1 . 331 . 1 1 21 PRO CB C 8.149 8.297 1.175 . . . 1.0 . . . . . . . . . . . . A . 21 PRO CB . . . . . . . . . c30498_6e5j 1 . 1 . 332 . 1 1 21 PRO CD C 8.113 7.993 -1.191 . . . 1.0 . . . . . . . . . . . . A . 21 PRO CD . . . . . . . . . c30498_6e5j 1 . 1 . 333 . 1 1 21 PRO CG C 8.027 9.035 -0.111 . . . 1.0 . . . . . . . . . . . . A . 21 PRO CG . . . . . . . . . c30498_6e5j 1 . 1 . 334 . 1 1 21 PRO HA H 7.961 6.181 1.474 . . . 1.0 . . . . . . . . . . . . A . 21 PRO HA . . . . . . . . . c30498_6e5j 1 . 1 . 335 . 1 1 21 PRO HB2 H 7.645 8.813 1.980 . . . 1.0 . . . . . . . . . . . . A . 21 PRO HB2 . . . . . . . . . c30498_6e5j 1 . 1 . 336 . 1 1 21 PRO HB3 H 9.183 8.130 1.438 . . . 1.0 . . . . . . . . . . . . A . 21 PRO HB3 . . . . . . . . . c30498_6e5j 1 . 1 . 337 . 1 1 21 PRO HD2 H 7.474 8.256 -2.021 . . . 1.0 . . . . . . . . . . . . A . 21 PRO HD2 . . . . . . . . . c30498_6e5j 1 . 1 . 338 . 1 1 21 PRO HD3 H 9.134 7.876 -1.521 . . . 1.0 . . . . . . . . . . . . A . 21 PRO HD3 . . . . . . . . . c30498_6e5j 1 . 1 . 339 . 1 1 21 PRO HG2 H 7.075 9.541 -0.155 . . . 1.0 . . . . . . . . . . . . A . 21 PRO HG2 . . . . . . . . . c30498_6e5j 1 . 1 . 340 . 1 1 21 PRO HG3 H 8.834 9.744 -0.208 . . . 1.0 . . . . . . . . . . . . A . 21 PRO HG3 . . . . . . . . . c30498_6e5j 1 . 1 . 341 . 1 1 21 PRO N N 7.632 6.768 -0.528 . . . 1.0 . . . . . . . . . . . . A . 21 PRO N . . . . . . . . . c30498_6e5j 1 . 1 . 342 . 1 1 21 PRO O O 5.685 6.947 2.536 . . . 1.0 . . . . . . . . . . . . A . 21 PRO O . . . . . . . . . c30498_6e5j 1 . 1 . 343 . 1 1 22 ARG C C 2.963 5.955 0.634 . . . 1.0 . . . . . . . . . . . . A . 22 ARG C . . . . . . . . . c30498_6e5j 1 . 1 . 344 . 1 1 22 ARG CA C 3.674 7.293 0.700 . . . 1.0 . . . . . . . . . . . . A . 22 ARG CA . . . . . . . . . c30498_6e5j 1 . 1 . 345 . 1 1 22 ARG CB C 2.989 8.297 -0.228 . . . 1.0 . . . . . . . . . . . . A . 22 ARG CB . . . . . . . . . c30498_6e5j 1 . 1 . 346 . 1 1 22 ARG CD C 2.956 10.028 1.599 . . . 1.0 . . . . . . . . . . . . A . 22 ARG CD . . . . . . . . . c30498_6e5j 1 . 1 . 347 . 1 1 22 ARG CG C 3.263 9.749 0.131 . . . 1.0 . . . . . . . . . . . . A . 22 ARG CG . . . . . . . . . c30498_6e5j 1 . 1 . 348 . 1 1 22 ARG CZ C 1.473 8.822 3.172 . . . 1.0 . . . . . . . . . . . . A . 22 ARG CZ . . . . . . . . . c30498_6e5j 1 . 1 . 349 . 1 1 22 ARG H H 5.377 7.160 -0.557 . . . 1.0 . . . . . . . . . . . . A . 22 ARG H . . . . . . . . . c30498_6e5j 1 . 1 . 350 . 1 1 22 ARG HA H 3.605 7.661 1.712 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HA . . . . . . . . . c30498_6e5j 1 . 1 . 351 . 1 1 22 ARG HB2 H 3.335 8.128 -1.239 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HB2 . . . . . . . . . c30498_6e5j 1 . 1 . 352 . 1 1 22 ARG HB3 H 1.923 8.132 -0.192 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HB3 . . . . . . . . . c30498_6e5j 1 . 1 . 353 . 1 1 22 ARG HD2 H 3.738 9.598 2.204 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HD2 . . . . . . . . . c30498_6e5j 1 . 1 . 354 . 1 1 22 ARG HD3 H 2.935 11.098 1.750 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HD3 . . . . . . . . . c30498_6e5j 1 . 1 . 355 . 1 1 22 ARG HE H 0.909 9.555 1.394 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HE . . . . . . . . . c30498_6e5j 1 . 1 . 356 . 1 1 22 ARG HG2 H 4.304 9.964 -0.055 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HG2 . . . . . . . . . c30498_6e5j 1 . 1 . 357 . 1 1 22 ARG HG3 H 2.646 10.386 -0.487 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HG3 . . . . . . . . . c30498_6e5j 1 . 1 . 358 . 1 1 22 ARG HH11 H 2.309 8.225 4.924 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HH11 . . . . . . . . . c30498_6e5j 1 . 1 . 359 . 1 1 22 ARG HH12 H 3.360 9.111 3.863 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HH12 . . . . . . . . . c30498_6e5j 1 . 1 . 360 . 1 1 22 ARG HH21 H 0.141 7.814 4.315 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HH21 . . . . . . . . . c30498_6e5j 1 . 1 . 361 . 1 1 22 ARG HH22 H -0.470 8.368 2.781 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HH22 . . . . . . . . . c30498_6e5j 1 . 1 . 362 . 1 1 22 ARG N N 5.089 7.163 0.385 . . . 1.0 . . . . . . . . . . . . A . 22 ARG N . . . . . . . . . c30498_6e5j 1 . 1 . 363 . 1 1 22 ARG NE N 1.667 9.462 2.016 . . . 1.0 . . . . . . . . . . . . A . 22 ARG NE . . . . . . . . . c30498_6e5j 1 . 1 . 364 . 1 1 22 ARG NH1 N 2.461 8.709 4.054 . . . 1.0 . . . . . . . . . . . . A . 22 ARG NH1 . . . . . . . . . c30498_6e5j 1 . 1 . 365 . 1 1 22 ARG NH2 N 0.289 8.294 3.447 . . . 1.0 . . . . . . . . . . . . A . 22 ARG NH2 . . . . . . . . . c30498_6e5j 1 . 1 . 366 . 1 1 22 ARG O O 3.102 5.211 -0.335 . . . 1.0 . . . . . . . . . . . . A . 22 ARG O . . . . . . . . . c30498_6e5j 1 . 1 . 367 . 1 1 23 TYR C C -0.024 4.699 1.986 . . . 1.0 . . . . . . . . . . . . A . 23 TYR C . . . . . . . . . c30498_6e5j 1 . 1 . 368 . 1 1 23 TYR CA C 1.455 4.419 1.757 . . . 1.0 . . . . . . . . . . . . A . 23 TYR CA . . . . . . . . . c30498_6e5j 1 . 1 . 369 . 1 1 23 TYR CB C 1.988 3.551 2.895 . . . 1.0 . . . . . . . . . . . . A . 23 TYR CB . . . . . . . . . c30498_6e5j 1 . 1 . 370 . 1 1 23 TYR CD1 C 4.390 3.809 3.625 . . . 1.0 . . . . . . . . . . . . A . 23 TYR CD1 . . . . . . . . . c30498_6e5j 1 . 1 . 371 . 1 1 23 TYR CD2 C 3.912 2.308 1.842 . . . 1.0 . . . . . . . . . . . . A . 23 TYR CD2 . . . . . . . . . c30498_6e5j 1 . 1 . 372 . 1 1 23 TYR CE1 C 5.733 3.498 3.533 . . . 1.0 . . . . . . . . . . . . A . 23 TYR CE1 . . . . . . . . . c30498_6e5j 1 . 1 . 373 . 1 1 23 TYR CE2 C 5.252 1.992 1.741 . . . 1.0 . . . . . . . . . . . . A . 23 TYR CE2 . . . . . . . . . c30498_6e5j 1 . 1 . 374 . 1 1 23 TYR CG C 3.458 3.217 2.785 . . . 1.0 . . . . . . . . . . . . A . 23 TYR CG . . . . . . . . . c30498_6e5j 1 . 1 . 375 . 1 1 23 TYR CZ C 6.159 2.589 2.589 . . . 1.0 . . . . . . . . . . . . A . 23 TYR CZ . . . . . . . . . c30498_6e5j 1 . 1 . 376 . 1 1 23 TYR H H 2.136 6.304 2.411 . . . 1.0 . . . . . . . . . . . . A . 23 TYR H . . . . . . . . . c30498_6e5j 1 . 1 . 377 . 1 1 23 TYR HA H 1.576 3.891 0.822 . . . 1.0 . . . . . . . . . . . . A . 23 TYR HA . . . . . . . . . c30498_6e5j 1 . 1 . 378 . 1 1 23 TYR HB2 H 1.838 4.069 3.831 . . . 1.0 . . . . . . . . . . . . A . 23 TYR HB2 . . . . . . . . . c30498_6e5j 1 . 1 . 379 . 1 1 23 TYR HB3 H 1.437 2.623 2.914 . . . 1.0 . . . . . . . . . . . . A . 23 TYR HB3 . . . . . . . . . c30498_6e5j 1 . 1 . 380 . 1 1 23 TYR HD1 H 4.053 4.521 4.364 . . . 1.0 . . . . . . . . . . . . A . 23 TYR HD1 . . . . . . . . . c30498_6e5j 1 . 1 . 381 . 1 1 23 TYR HD2 H 3.199 1.843 1.177 . . . 1.0 . . . . . . . . . . . . A . 23 TYR HD2 . . . . . . . . . c30498_6e5j 1 . 1 . 382 . 1 1 23 TYR HE1 H 6.441 3.968 4.196 . . . 1.0 . . . . . . . . . . . . A . 23 TYR HE1 . . . . . . . . . c30498_6e5j 1 . 1 . 383 . 1 1 23 TYR HE2 H 5.582 1.281 1.000 . . . 1.0 . . . . . . . . . . . . A . 23 TYR HE2 . . . . . . . . . c30498_6e5j 1 . 1 . 384 . 1 1 23 TYR HH H 7.837 2.060 3.374 . . . 1.0 . . . . . . . . . . . . A . 23 TYR HH . . . . . . . . . c30498_6e5j 1 . 1 . 385 . 1 1 23 TYR N N 2.200 5.662 1.674 . . . 1.0 . . . . . . . . . . . . A . 23 TYR N . . . . . . . . . c30498_6e5j 1 . 1 . 386 . 1 1 23 TYR O O -0.449 4.939 3.115 . . . 1.0 . . . . . . . . . . . . A . 23 TYR O . . . . . . . . . c30498_6e5j 1 . 1 . 387 . 1 1 23 TYR OH O 7.496 2.272 2.495 . . . 1.0 . . . . . . . . . . . . A . 23 TYR OH . . . . . . . . . c30498_6e5j 1 . 1 . 388 . 1 1 24 GLU C C -2.922 3.513 1.112 . . . 1.0 . . . . . . . . . . . . A . 24 GLU C . . . . . . . . . c30498_6e5j 1 . 1 . 389 . 1 1 24 GLU CA C -2.237 4.869 1.025 . . . 1.0 . . . . . . . . . . . . A . 24 GLU CA . . . . . . . . . c30498_6e5j 1 . 1 . 390 . 1 1 24 GLU CB C -2.775 5.646 -0.178 . . . 1.0 . . . . . . . . . . . . A . 24 GLU CB . . . . . . . . . c30498_6e5j 1 . 1 . 391 . 1 1 24 GLU CD C -2.553 7.892 0.952 . . . 1.0 . . . . . . . . . . . . A . 24 GLU CD . . . . . . . . . c30498_6e5j 1 . 1 . 392 . 1 1 24 GLU CG C -2.247 7.066 -0.279 . . . 1.0 . . . . . . . . . . . . A . 24 GLU CG . . . . . . . . . c30498_6e5j 1 . 1 . 393 . 1 1 24 GLU H H -0.403 4.519 0.035 . . . 1.0 . . . . . . . . . . . . A . 24 GLU H . . . . . . . . . c30498_6e5j 1 . 1 . 394 . 1 1 24 GLU HA H -2.434 5.426 1.926 . . . 1.0 . . . . . . . . . . . . A . 24 GLU HA . . . . . . . . . c30498_6e5j 1 . 1 . 395 . 1 1 24 GLU HB2 H -2.502 5.121 -1.080 . . . 1.0 . . . . . . . . . . . . A . 24 GLU HB2 . . . . . . . . . c30498_6e5j 1 . 1 . 396 . 1 1 24 GLU HB3 H -3.852 5.688 -0.112 . . . 1.0 . . . . . . . . . . . . A . 24 GLU HB3 . . . . . . . . . c30498_6e5j 1 . 1 . 397 . 1 1 24 GLU HG2 H -1.177 7.029 -0.412 . . . 1.0 . . . . . . . . . . . . A . 24 GLU HG2 . . . . . . . . . c30498_6e5j 1 . 1 . 398 . 1 1 24 GLU HG3 H -2.699 7.544 -1.136 . . . 1.0 . . . . . . . . . . . . A . 24 GLU HG3 . . . . . . . . . c30498_6e5j 1 . 1 . 399 . 1 1 24 GLU N N -0.800 4.681 0.919 . . . 1.0 . . . . . . . . . . . . A . 24 GLU N . . . . . . . . . c30498_6e5j 1 . 1 . 400 . 1 1 24 GLU O O -2.617 2.620 0.327 . . . 1.0 . . . . . . . . . . . . A . 24 GLU O . . . . . . . . . c30498_6e5j 1 . 1 . 401 . 1 1 24 GLU OE1 O -3.745 8.036 1.301 . . . 1.0 . . . . . . . . . . . . A . 24 GLU OE1 . . . . . . . . . c30498_6e5j 1 . 1 . 402 . 1 1 24 GLU OE2 O -1.605 8.421 1.567 . . . 1.0 . . . . . . . . . . . . A . 24 GLU OE2 . . . . . . . . . c30498_6e5j 1 . 1 . 403 . 1 1 25 MVA C C -5.843 2.110 2.991 . . . 1.0 . . . . . . . . . . . . A . 25 MVA C . . . . . . . . . c30498_6e5j 1 . 1 . 404 . 1 1 25 MVA CA C -4.532 2.028 2.198 . . . 1.0 . . . . . . . . . . . . A . 25 MVA CA . . . . . . . . . c30498_6e5j 1 . 1 . 405 . 1 1 25 MVA CB C -3.601 0.960 2.834 . . . 1.0 . . . . . . . . . . . . A . 25 MVA CB . . . . . . . . . c30498_6e5j 1 . 1 . 406 . 1 1 25 MVA CG1 C -3.009 1.433 4.154 . . . 1.0 . . . . . . . . . . . . A . 25 MVA CG1 . . . . . . . . . c30498_6e5j 1 . 1 . 407 . 1 1 25 MVA CG2 C -4.347 -0.354 3.019 . . . 1.0 . . . . . . . . . . . . A . 25 MVA CG2 . . . . . . . . . c30498_6e5j 1 . 1 . 408 . 1 1 25 MVA CN C -4.208 4.452 2.956 . . . 1.0 . . . . . . . . . . . . A . 25 MVA CN . . . . . . . . . c30498_6e5j 1 . 1 . 409 . 1 1 25 MVA HA H -4.788 1.666 1.213 . . . 1.0 . . . . . . . . . . . . A . 25 MVA HA . . . . . . . . . c30498_6e5j 1 . 1 . 410 . 1 1 25 MVA HB H -2.783 0.782 2.152 . . . 1.0 . . . . . . . . . . . . A . 25 MVA HB . . . . . . . . . c30498_6e5j 1 . 1 . 411 . 1 1 25 MVA HG11 H -2.381 0.657 4.566 . . . 1.0 . . . . . . . . . . . . A . 25 MVA HG11 . . . . . . . . . c30498_6e5j 1 . 1 . 412 . 1 1 25 MVA HG12 H -3.807 1.657 4.846 . . . 1.0 . . . . . . . . . . . . A . 25 MVA HG12 . . . . . . . . . c30498_6e5j 1 . 1 . 413 . 1 1 25 MVA HG13 H -2.418 2.321 3.984 . . . 1.0 . . . . . . . . . . . . A . 25 MVA HG13 . . . . . . . . . c30498_6e5j 1 . 1 . 414 . 1 1 25 MVA HG21 H -4.700 -0.706 2.059 . . . 1.0 . . . . . . . . . . . . A . 25 MVA HG21 . . . . . . . . . c30498_6e5j 1 . 1 . 415 . 1 1 25 MVA HG22 H -5.189 -0.202 3.677 . . . 1.0 . . . . . . . . . . . . A . 25 MVA HG22 . . . . . . . . . c30498_6e5j 1 . 1 . 416 . 1 1 25 MVA HG23 H -3.682 -1.090 3.448 . . . 1.0 . . . . . . . . . . . . A . 25 MVA HG23 . . . . . . . . . c30498_6e5j 1 . 1 . 417 . 1 1 25 MVA HN1 H -5.073 4.183 3.543 . . . 1.0 . . . . . . . . . . . . A . 25 MVA HN1 . . . . . . . . . c30498_6e5j 1 . 1 . 418 . 1 1 25 MVA HN2 H -4.432 5.326 2.362 . . . 1.0 . . . . . . . . . . . . A . 25 MVA HN2 . . . . . . . . . c30498_6e5j 1 . 1 . 419 . 1 1 25 MVA HN3 H -3.380 4.667 3.616 . . . 1.0 . . . . . . . . . . . . A . 25 MVA HN3 . . . . . . . . . c30498_6e5j 1 . 1 . 420 . 1 1 25 MVA N N -3.851 3.329 2.062 . . . 1.0 . . . . . . . . . . . . A . 25 MVA N . . . . . . . . . c30498_6e5j 1 . 1 . 421 . 1 1 25 MVA O O -5.867 2.385 4.196 . . . 1.0 . . . . . . . . . . . . A . 25 MVA O . . . . . . . . . c30498_6e5j 1 . 1 . 422 . 1 1 26 HIS C C -8.823 0.448 2.863 . . . 1.0 . . . . . . . . . . . . A . 26 HIS C . . . . . . . . . c30498_6e5j 1 . 1 . 423 . 1 1 26 HIS CA C -8.256 1.858 2.897 . . . 1.0 . . . . . . . . . . . . A . 26 HIS CA . . . . . . . . . c30498_6e5j 1 . 1 . 424 . 1 1 26 HIS CB C -9.194 2.821 2.163 . . . 1.0 . . . . . . . . . . . . A . 26 HIS CB . . . . . . . . . c30498_6e5j 1 . 1 . 425 . 1 1 26 HIS CD2 C -7.978 4.908 1.212 . . . 1.0 . . . . . . . . . . . . A . 26 HIS CD2 . . . . . . . . . c30498_6e5j 1 . 1 . 426 . 1 1 26 HIS CE1 C -8.421 6.311 2.831 . . . 1.0 . . . . . . . . . . . . A . 26 HIS CE1 . . . . . . . . . c30498_6e5j 1 . 1 . 427 . 1 1 26 HIS CG C -8.715 4.243 2.133 . . . 1.0 . . . . . . . . . . . . A . 26 HIS CG . . . . . . . . . c30498_6e5j 1 . 1 . 428 . 1 1 26 HIS H H -6.846 1.618 1.342 . . . 1.0 . . . . . . . . . . . . A . 26 HIS H . . . . . . . . . c30498_6e5j 1 . 1 . 429 . 1 1 26 HIS HA H -8.154 2.172 3.926 . . . 1.0 . . . . . . . . . . . . A . 26 HIS HA . . . . . . . . . c30498_6e5j 1 . 1 . 430 . 1 1 26 HIS HB2 H -9.308 2.489 1.145 . . . 1.0 . . . . . . . . . . . . A . 26 HIS HB2 . . . . . . . . . c30498_6e5j 1 . 1 . 431 . 1 1 26 HIS HB3 H -10.158 2.806 2.646 . . . 1.0 . . . . . . . . . . . . A . 26 HIS HB3 . . . . . . . . . c30498_6e5j 1 . 1 . 432 . 1 1 26 HIS HD1 H -9.510 4.979 3.945 . . . 1.0 . . . . . . . . . . . . A . 26 HIS HD1 . . . . . . . . . c30498_6e5j 1 . 1 . 433 . 1 1 26 HIS HD2 H -7.604 4.507 0.283 . . . 1.0 . . . . . . . . . . . . A . 26 HIS HD2 . . . . . . . . . c30498_6e5j 1 . 1 . 434 . 1 1 26 HIS HE1 H -8.458 7.206 3.433 . . . 1.0 . . . . . . . . . . . . A . 26 HIS HE1 . . . . . . . . . c30498_6e5j 1 . 1 . 435 . 1 1 26 HIS HE2 H -7.450 6.936 1.140 . . . 1.0 . . . . . . . . . . . . A . 26 HIS HE2 . . . . . . . . . c30498_6e5j 1 . 1 . 436 . 1 1 26 HIS N N -6.936 1.853 2.294 . . . 1.0 . . . . . . . . . . . . A . 26 HIS N . . . . . . . . . c30498_6e5j 1 . 1 . 437 . 1 1 26 HIS ND1 N -8.977 5.152 3.135 . . . 1.0 . . . . . . . . . . . . A . 26 HIS ND1 . . . . . . . . . c30498_6e5j 1 . 1 . 438 . 1 1 26 HIS NE2 N -7.808 6.188 1.669 . . . 1.0 . . . . . . . . . . . . A . 26 HIS NE2 . . . . . . . . . c30498_6e5j 1 . 1 . 439 . 1 1 26 HIS O O -9.232 -0.045 1.805 . . . 1.0 . . . . . . . . . . . . A . 26 HIS O . . . . . . . . . c30498_6e5j 1 . 1 . 440 . 1 1 27 CYS C C -9.995 -1.826 5.413 . . . 1.0 . . . . . . . . . . . . A . 27 CYS C . . . . . . . . . c30498_6e5j 1 . 1 . 441 . 1 1 27 CYS CA C -9.245 -1.588 4.109 . . . 1.0 . . . . . . . . . . . . A . 27 CYS CA . . . . . . . . . c30498_6e5j 1 . 1 . 442 . 1 1 27 CYS CB C -8.027 -2.506 4.028 . . . 1.0 . . . . . . . . . . . . A . 27 CYS CB . . . . . . . . . c30498_6e5j 1 . 1 . 443 . 1 1 27 CYS H H -8.528 0.261 4.826 . . . 1.0 . . . . . . . . . . . . A . 27 CYS H . . . . . . . . . c30498_6e5j 1 . 1 . 444 . 1 1 27 CYS HA H -9.901 -1.797 3.278 . . . 1.0 . . . . . . . . . . . . A . 27 CYS HA . . . . . . . . . c30498_6e5j 1 . 1 . 445 . 1 1 27 CYS HB2 H -7.406 -2.192 3.203 . . . 1.0 . . . . . . . . . . . . A . 27 CYS HB2 . . . . . . . . . c30498_6e5j 1 . 1 . 446 . 1 1 27 CYS HB3 H -7.466 -2.423 4.947 . . . 1.0 . . . . . . . . . . . . A . 27 CYS HB3 . . . . . . . . . c30498_6e5j 1 . 1 . 447 . 1 1 27 CYS N N -8.822 -0.203 4.014 . . . 1.0 . . . . . . . . . . . . A . 27 CYS N . . . . . . . . . c30498_6e5j 1 . 1 . 448 . 1 1 27 CYS O O -9.393 -2.088 6.453 . . . 1.0 . . . . . . . . . . . . A . 27 CYS O . . . . . . . . . c30498_6e5j 1 . 1 . 449 . 1 1 27 CYS SG S -8.430 -4.266 3.777 . . . 1.0 . . . . . . . . . . . . A . 27 CYS SG . . . . . . . . . c30498_6e5j 1 . 1 . 450 . 1 1 28 NH2 HN1 H -11.724 -1.502 4.497 . . . 1.0 . . . . . . . . . . . . A . 28 NH2 HN1 . . . . . . . . . c30498_6e5j 1 . 1 . 451 . 1 1 28 NH2 HN2 H -11.818 -1.854 6.186 . . . 1.0 . . . . . . . . . . . . A . 28 NH2 HN2 . . . . . . . . . c30498_6e5j 1 . 1 . 452 . 1 1 28 NH2 N N -11.310 -1.715 5.361 . . . 1.0 . . . . . . . . . . . . A . 28 NH2 N . . . . . . . . . c30498_6e5j 1 . 2 . 453 . 1 1 1 ASN C C 10.509 -3.310 -1.938 . . . 1.0 . . . . . . . . . . . . A . 1 ASN C . . . . . . . . . c30498_6e5j 1 . 2 . 454 . 1 1 1 ASN CA C 11.224 -1.963 -1.940 . . . 1.0 . . . . . . . . . . . . A . 1 ASN CA . . . . . . . . . c30498_6e5j 1 . 2 . 455 . 1 1 1 ASN CB C 10.201 -0.831 -1.743 . . . 1.0 . . . . . . . . . . . . A . 1 ASN CB . . . . . . . . . c30498_6e5j 1 . 2 . 456 . 1 1 1 ASN CG C 9.085 -0.838 -2.777 . . . 1.0 . . . . . . . . . . . . A . 1 ASN CG . . . . . . . . . c30498_6e5j 1 . 2 . 457 . 1 1 1 ASN H1 H 12.445 -0.855 -3.215 . . . 1.0 . . . . . . . . . . . . A . 1 ASN H1 . . . . . . . . . c30498_6e5j 1 . 2 . 458 . 1 1 1 ASN H2 H 11.313 -1.823 -4.016 . . . 1.0 . . . . . . . . . . . . A . 1 ASN H2 . . . . . . . . . c30498_6e5j 1 . 2 . 459 . 1 1 1 ASN H3 H 12.679 -2.527 -3.315 . . . 1.0 . . . . . . . . . . . . A . 1 ASN H3 . . . . . . . . . c30498_6e5j 1 . 2 . 460 . 1 1 1 ASN HA H 11.936 -1.944 -1.128 . . . 1.0 . . . . . . . . . . . . A . 1 ASN HA . . . . . . . . . c30498_6e5j 1 . 2 . 461 . 1 1 1 ASN HB2 H 9.755 -0.930 -0.766 . . . 1.0 . . . . . . . . . . . . A . 1 ASN HB2 . . . . . . . . . c30498_6e5j 1 . 2 . 462 . 1 1 1 ASN HB3 H 10.712 0.117 -1.800 . . . 1.0 . . . . . . . . . . . . A . 1 ASN HB3 . . . . . . . . . c30498_6e5j 1 . 2 . 463 . 1 1 1 ASN HD21 H 10.110 0.411 -3.938 . . . 1.0 . . . . . . . . . . . . A . 1 ASN HD21 . . . . . . . . . c30498_6e5j 1 . 2 . 464 . 1 1 1 ASN HD22 H 8.566 -0.092 -4.547 . . . 1.0 . . . . . . . . . . . . A . 1 ASN HD22 . . . . . . . . . c30498_6e5j 1 . 2 . 465 . 1 1 1 ASN N N 11.965 -1.777 -3.208 . . . 1.0 . . . . . . . . . . . . A . 1 ASN N . . . . . . . . . c30498_6e5j 1 . 2 . 466 . 1 1 1 ASN ND2 N 9.273 -0.099 -3.860 . . . 1.0 . . . . . . . . . . . . A . 1 ASN ND2 . . . . . . . . . c30498_6e5j 1 . 2 . 467 . 1 1 1 ASN O O 10.048 -3.777 -2.979 . . . 1.0 . . . . . . . . . . . . A . 1 ASN O . . . . . . . . . c30498_6e5j 1 . 2 . 468 . 1 1 1 ASN OD1 O 8.054 -1.488 -2.596 . . . 1.0 . . . . . . . . . . . . A . 1 ASN OD1 . . . . . . . . . c30498_6e5j 1 . 2 . 469 . 1 1 2 ASP C C 8.249 -4.899 -0.297 . . . 1.0 . . . . . . . . . . . . A . 2 ASP C . . . . . . . . . c30498_6e5j 1 . 2 . 470 . 1 1 2 ASP CA C 9.710 -5.192 -0.613 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CA . . . . . . . . . c30498_6e5j 1 . 2 . 471 . 1 1 2 ASP CB C 10.331 -6.080 0.478 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CB . . . . . . . . . c30498_6e5j 1 . 2 . 472 . 1 1 2 ASP CG C 10.304 -5.450 1.860 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CG . . . . . . . . . c30498_6e5j 1 . 2 . 473 . 1 1 2 ASP H H 10.913 -3.560 0.008 . . . 1.0 . . . . . . . . . . . . A . 2 ASP H . . . . . . . . . c30498_6e5j 1 . 2 . 474 . 1 1 2 ASP HA H 9.756 -5.714 -1.557 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HA . . . . . . . . . c30498_6e5j 1 . 2 . 475 . 1 1 2 ASP HB2 H 9.787 -7.011 0.523 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HB2 . . . . . . . . . c30498_6e5j 1 . 2 . 476 . 1 1 2 ASP HB3 H 11.358 -6.285 0.220 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HB3 . . . . . . . . . c30498_6e5j 1 . 2 . 477 . 1 1 2 ASP N N 10.446 -3.941 -0.768 . . . 1.0 . . . . . . . . . . . . A . 2 ASP N . . . . . . . . . c30498_6e5j 1 . 2 . 478 . 1 1 2 ASP O O 7.346 -5.549 -0.827 . . . 1.0 . . . . . . . . . . . . A . 2 ASP O . . . . . . . . . c30498_6e5j 1 . 2 . 479 . 1 1 2 ASP OD1 O 9.542 -5.929 2.727 . . . 1.0 . . . . . . . . . . . . A . 2 ASP OD1 . . . . . . . . . c30498_6e5j 1 . 2 . 480 . 1 1 2 ASP OD2 O 11.048 -4.475 2.088 . . . 1.0 . . . . . . . . . . . . A . 2 ASP OD2 . . . . . . . . . c30498_6e5j 1 . 2 . 481 . 1 1 3 B3K C C 5.232 -1.885 -0.347 . . . 1.0 . . . . . . . . . . . . A . 3 B3K C . . . . . . . . . c30498_6e5j 1 . 2 . 482 . 1 1 3 B3K CA C 6.418 -2.064 0.574 . . . 1.0 . . . . . . . . . . . . A . 3 B3K CA . . . . . . . . . c30498_6e5j 1 . 2 . 483 . 1 1 3 B3K CB C 6.669 -3.526 0.925 . . . 1.0 . . . . . . . . . . . . A . 3 B3K CB . . . . . . . . . c30498_6e5j 1 . 2 . 484 . 1 1 3 B3K CD C 6.444 -5.158 2.883 . . . 1.0 . . . . . . . . . . . . A . 3 B3K CD . . . . . . . . . c30498_6e5j 1 . 2 . 485 . 1 1 3 B3K CE C 6.109 -5.289 4.363 . . . 1.0 . . . . . . . . . . . . A . 3 B3K CE . . . . . . . . . c30498_6e5j 1 . 2 . 486 . 1 1 3 B3K CF C 7.177 -4.659 5.245 . . . 1.0 . . . . . . . . . . . . A . 3 B3K CF . . . . . . . . . c30498_6e5j 1 . 2 . 487 . 1 1 3 B3K CG C 6.433 -3.708 2.428 . . . 1.0 . . . . . . . . . . . . A . 3 B3K CG . . . . . . . . . c30498_6e5j 1 . 2 . 488 . 1 1 3 B3K H H 8.778 -3.449 0.969 . . . 1.0 . . . . . . . . . . . . A . 3 B3K H . . . . . . . . . c30498_6e5j 1 . 2 . 489 . 1 1 3 B3K HA1 H 6.230 -1.513 1.483 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HA1 . . . . . . . . . c30498_6e5j 1 . 2 . 490 . 1 1 3 B3K HA2 H 7.293 -1.661 0.087 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HA2 . . . . . . . . . c30498_6e5j 1 . 2 . 491 . 1 1 3 B3K HB H 5.990 -4.150 0.349 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HB . . . . . . . . . c30498_6e5j 1 . 2 . 492 . 1 1 3 B3K HD2 H 7.426 -5.571 2.708 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HD2 . . . . . . . . . c30498_6e5j 1 . 2 . 493 . 1 1 3 B3K HD3 H 5.714 -5.710 2.310 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HD3 . . . . . . . . . c30498_6e5j 1 . 2 . 494 . 1 1 3 B3K HE2 H 6.024 -6.336 4.609 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HE2 . . . . . . . . . c30498_6e5j 1 . 2 . 495 . 1 1 3 B3K HE3 H 5.167 -4.797 4.551 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HE3 . . . . . . . . . c30498_6e5j 1 . 2 . 496 . 1 1 3 B3K HF1 H 6.846 -4.703 6.273 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HF1 . . . . . . . . . c30498_6e5j 1 . 2 . 497 . 1 1 3 B3K HF2 H 7.303 -3.627 4.955 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HF2 . . . . . . . . . c30498_6e5j 1 . 2 . 498 . 1 1 3 B3K HG2 H 5.476 -3.280 2.682 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HG2 . . . . . . . . . c30498_6e5j 1 . 2 . 499 . 1 1 3 B3K HG3 H 7.206 -3.180 2.966 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HG3 . . . . . . . . . c30498_6e5j 1 . 2 . 500 . 1 1 3 B3K HNZ1 H 8.800 -5.375 4.130 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HNZ1 . . . . . . . . . c30498_6e5j 1 . 2 . 501 . 1 1 3 B3K HNZ2 H 8.407 -6.334 5.472 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HNZ2 . . . . . . . . . c30498_6e5j 1 . 2 . 502 . 1 1 3 B3K N N 8.019 -3.915 0.564 . . . 1.0 . . . . . . . . . . . . A . 3 B3K N . . . . . . . . . c30498_6e5j 1 . 2 . 503 . 1 1 3 B3K NZ N 8.487 -5.355 5.128 . . . 1.0 . . . . . . . . . . . . A . 3 B3K NZ . . . . . . . . . c30498_6e5j 1 . 2 . 504 . 1 1 3 B3K O O 4.094 -2.222 -0.006 . . . 1.0 . . . . . . . . . . . . A . 3 B3K O . . . . . . . . . c30498_6e5j 1 . 2 . 505 . 1 1 4 CYS C C 4.132 -2.363 -3.291 . . . 1.0 . . . . . . . . . . . . A . 4 CYS C . . . . . . . . . c30498_6e5j 1 . 2 . 506 . 1 1 4 CYS CA C 4.489 -1.093 -2.523 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CA . . . . . . . . . c30498_6e5j 1 . 2 . 507 . 1 1 4 CYS CB C 4.978 0.005 -3.473 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CB . . . . . . . . . c30498_6e5j 1 . 2 . 508 . 1 1 4 CYS H H 6.454 -1.173 -1.756 . . . 1.0 . . . . . . . . . . . . A . 4 CYS H . . . . . . . . . c30498_6e5j 1 . 2 . 509 . 1 1 4 CYS HA H 3.612 -0.745 -2.001 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HA . . . . . . . . . c30498_6e5j 1 . 2 . 510 . 1 1 4 CYS HB2 H 5.271 0.863 -2.889 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB2 . . . . . . . . . c30498_6e5j 1 . 2 . 511 . 1 1 4 CYS HB3 H 5.839 -0.360 -4.015 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB3 . . . . . . . . . c30498_6e5j 1 . 2 . 512 . 1 1 4 CYS N N 5.515 -1.370 -1.534 . . . 1.0 . . . . . . . . . . . . A . 4 CYS N . . . . . . . . . c30498_6e5j 1 . 2 . 513 . 1 1 4 CYS O O 3.016 -2.513 -3.782 . . . 1.0 . . . . . . . . . . . . A . 4 CYS O . . . . . . . . . c30498_6e5j 1 . 2 . 514 . 1 1 4 CYS SG S 3.755 0.576 -4.703 . . . 1.0 . . . . . . . . . . . . A . 4 CYS SG . . . . . . . . . c30498_6e5j 1 . 2 . 515 . 1 1 5 LYS C C 3.964 -5.444 -3.126 . . . 1.0 . . . . . . . . . . . . A . 5 LYS C . . . . . . . . . c30498_6e5j 1 . 2 . 516 . 1 1 5 LYS CA C 4.820 -4.564 -4.031 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CA . . . . . . . . . c30498_6e5j 1 . 2 . 517 . 1 1 5 LYS CB C 6.130 -5.266 -4.386 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CB . . . . . . . . . c30498_6e5j 1 . 2 . 518 . 1 1 5 LYS CD C 6.143 -4.708 -6.836 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CD . . . . . . . . . c30498_6e5j 1 . 2 . 519 . 1 1 5 LYS CE C 6.923 -4.089 -7.984 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CE . . . . . . . . . c30498_6e5j 1 . 2 . 520 . 1 1 5 LYS CG C 6.891 -4.594 -5.516 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CG . . . . . . . . . c30498_6e5j 1 . 2 . 521 . 1 1 5 LYS H H 5.971 -3.099 -3.024 . . . 1.0 . . . . . . . . . . . . A . 5 LYS H . . . . . . . . . c30498_6e5j 1 . 2 . 522 . 1 1 5 LYS HA H 4.269 -4.367 -4.938 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HA . . . . . . . . . c30498_6e5j 1 . 2 . 523 . 1 1 5 LYS HB2 H 6.765 -5.281 -3.513 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HB2 . . . . . . . . . c30498_6e5j 1 . 2 . 524 . 1 1 5 LYS HB3 H 5.913 -6.281 -4.681 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HB3 . . . . . . . . . c30498_6e5j 1 . 2 . 525 . 1 1 5 LYS HD2 H 5.974 -5.752 -7.053 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HD2 . . . . . . . . . c30498_6e5j 1 . 2 . 526 . 1 1 5 LYS HD3 H 5.194 -4.201 -6.744 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HD3 . . . . . . . . . c30498_6e5j 1 . 2 . 527 . 1 1 5 LYS HE2 H 7.920 -4.502 -7.986 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HE2 . . . . . . . . . c30498_6e5j 1 . 2 . 528 . 1 1 5 LYS HE3 H 6.430 -4.337 -8.912 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HE3 . . . . . . . . . c30498_6e5j 1 . 2 . 529 . 1 1 5 LYS HG2 H 7.020 -3.549 -5.278 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HG2 . . . . . . . . . c30498_6e5j 1 . 2 . 530 . 1 1 5 LYS HG3 H 7.858 -5.065 -5.617 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HG3 . . . . . . . . . c30498_6e5j 1 . 2 . 531 . 1 1 5 LYS HZ1 H 7.465 -2.347 -6.964 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ1 . . . . . . . . . c30498_6e5j 1 . 2 . 532 . 1 1 5 LYS HZ2 H 6.069 -2.187 -7.909 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ2 . . . . . . . . . c30498_6e5j 1 . 2 . 533 . 1 1 5 LYS HZ3 H 7.586 -2.227 -8.647 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ3 . . . . . . . . . c30498_6e5j 1 . 2 . 534 . 1 1 5 LYS N N 5.080 -3.284 -3.388 . . . 1.0 . . . . . . . . . . . . A . 5 LYS N . . . . . . . . . c30498_6e5j 1 . 2 . 535 . 1 1 5 LYS NZ N 7.017 -2.610 -7.866 . . . 1.0 . . . . . . . . . . . . A . 5 LYS NZ . . . . . . . . . c30498_6e5j 1 . 2 . 536 . 1 1 5 LYS O O 2.762 -5.600 -3.352 . . . 1.0 . . . . . . . . . . . . A . 5 LYS O . . . . . . . . . c30498_6e5j 1 . 2 . 537 . 1 1 6 B3E C C 2.692 -5.889 0.882 . . . 1.0 . . . . . . . . . . . . A . 6 B3E C . . . . . . . . . c30498_6e5j 1 . 2 . 538 . 1 1 6 B3E CA C 4.004 -6.326 0.272 . . . 1.0 . . . . . . . . . . . . A . 6 B3E CA . . . . . . . . . c30498_6e5j 1 . 2 . 539 . 1 1 6 B3E CB C 3.851 -6.839 -1.157 . . . 1.0 . . . . . . . . . . . . A . 6 B3E CB . . . . . . . . . c30498_6e5j 1 . 2 . 540 . 1 1 6 B3E CD C 4.252 -8.935 -2.568 . . . 1.0 . . . . . . . . . . . . A . 6 B3E CD . . . . . . . . . c30498_6e5j 1 . 2 . 541 . 1 1 6 B3E CE C 4.859 -10.323 -2.605 . . . 1.0 . . . . . . . . . . . . A . 6 B3E CE . . . . . . . . . c30498_6e5j 1 . 2 . 542 . 1 1 6 B3E CG C 4.389 -8.274 -1.206 . . . 1.0 . . . . . . . . . . . . A . 6 B3E CG . . . . . . . . . c30498_6e5j 1 . 2 . 543 . 1 1 6 B3E H H 5.532 -5.834 -1.942 . . . 1.0 . . . . . . . . . . . . A . 6 B3E H . . . . . . . . . c30498_6e5j 1 . 2 . 544 . 1 1 6 B3E HA1 H 4.420 -7.113 0.884 . . . 1.0 . . . . . . . . . . . . A . 6 B3E HA1 . . . . . . . . . c30498_6e5j 1 . 2 . 545 . 1 1 6 B3E HA2 H 4.675 -5.483 0.276 . . . 1.0 . . . . . . . . . . . . A . 6 B3E HA2 . . . . . . . . . c30498_6e5j 1 . 2 . 546 . 1 1 6 B3E HB H 2.796 -6.798 -1.446 . . . 1.0 . . . . . . . . . . . . A . 6 B3E HB . . . . . . . . . c30498_6e5j 1 . 2 . 547 . 1 1 6 B3E HD2 H 4.749 -8.322 -3.304 . . . 1.0 . . . . . . . . . . . . A . 6 B3E HD2 . . . . . . . . . c30498_6e5j 1 . 2 . 548 . 1 1 6 B3E HD3 H 3.204 -9.012 -2.814 . . . 1.0 . . . . . . . . . . . . A . 6 B3E HD3 . . . . . . . . . c30498_6e5j 1 . 2 . 549 . 1 1 6 B3E HG2 H 3.849 -8.870 -0.486 . . . 1.0 . . . . . . . . . . . . A . 6 B3E HG2 . . . . . . . . . c30498_6e5j 1 . 2 . 550 . 1 1 6 B3E HG3 H 5.435 -8.265 -0.939 . . . 1.0 . . . . . . . . . . . . A . 6 B3E HG3 . . . . . . . . . c30498_6e5j 1 . 2 . 551 . 1 1 6 B3E N N 4.575 -6.000 -2.087 . . . 1.0 . . . . . . . . . . . . A . 6 B3E N . . . . . . . . . c30498_6e5j 1 . 2 . 552 . 1 1 6 B3E O O 1.811 -6.708 1.159 . . . 1.0 . . . . . . . . . . . . A . 6 B3E O . . . . . . . . . c30498_6e5j 1 . 2 . 553 . 1 1 6 B3E OF1 O 4.149 -11.301 -2.293 . . . 1.0 . . . . . . . . . . . . A . 6 B3E OF1 . . . . . . . . . c30498_6e5j 1 . 2 . 554 . 1 1 6 B3E OF2 O 6.053 -10.445 -2.949 . . . 1.0 . . . . . . . . . . . . A . 6 B3E OF2 . . . . . . . . . c30498_6e5j 1 . 2 . 555 . 1 1 7 LEU C C 0.238 -3.954 0.636 . . . 1.0 . . . . . . . . . . . . A . 7 LEU C . . . . . . . . . c30498_6e5j 1 . 2 . 556 . 1 1 7 LEU CA C 1.353 -4.018 1.666 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CA . . . . . . . . . c30498_6e5j 1 . 2 . 557 . 1 1 7 LEU CB C 1.623 -2.625 2.240 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CB . . . . . . . . . c30498_6e5j 1 . 2 . 558 . 1 1 7 LEU CD1 C 2.875 -1.137 3.817 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CD1 . . . . . . . . . c30498_6e5j 1 . 2 . 559 . 1 1 7 LEU CD2 C 2.232 -3.438 4.538 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CD2 . . . . . . . . . c30498_6e5j 1 . 2 . 560 . 1 1 7 LEU CG C 2.660 -2.570 3.365 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CG . . . . . . . . . c30498_6e5j 1 . 2 . 561 . 1 1 7 LEU H H 3.282 -3.975 0.808 . . . 1.0 . . . . . . . . . . . . A . 7 LEU H . . . . . . . . . c30498_6e5j 1 . 2 . 562 . 1 1 7 LEU HA H 1.042 -4.672 2.465 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HA . . . . . . . . . c30498_6e5j 1 . 2 . 563 . 1 1 7 LEU HB2 H 1.960 -1.986 1.437 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HB2 . . . . . . . . . c30498_6e5j 1 . 2 . 564 . 1 1 7 LEU HB3 H 0.694 -2.231 2.623 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HB3 . . . . . . . . . c30498_6e5j 1 . 2 . 565 . 1 1 7 LEU HD11 H 3.231 -0.547 2.985 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD11 . . . . . . . . . c30498_6e5j 1 . 2 . 566 . 1 1 7 LEU HD12 H 3.606 -1.115 4.612 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD12 . . . . . . . . . c30498_6e5j 1 . 2 . 567 . 1 1 7 LEU HD13 H 1.942 -0.728 4.173 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD13 . . . . . . . . . c30498_6e5j 1 . 2 . 568 . 1 1 7 LEU HD21 H 2.203 -4.472 4.232 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD21 . . . . . . . . . c30498_6e5j 1 . 2 . 569 . 1 1 7 LEU HD22 H 1.252 -3.134 4.872 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD22 . . . . . . . . . c30498_6e5j 1 . 2 . 570 . 1 1 7 LEU HD23 H 2.938 -3.323 5.347 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD23 . . . . . . . . . c30498_6e5j 1 . 2 . 571 . 1 1 7 LEU HG H 3.601 -2.946 2.995 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HG . . . . . . . . . c30498_6e5j 1 . 2 . 572 . 1 1 7 LEU N N 2.556 -4.579 1.077 . . . 1.0 . . . . . . . . . . . . A . 7 LEU N . . . . . . . . . c30498_6e5j 1 . 2 . 573 . 1 1 7 LEU O O -0.865 -4.432 0.896 . . . 1.0 . . . . . . . . . . . . A . 7 LEU O . . . . . . . . . c30498_6e5j 1 . 2 . 574 . 1 1 8 LYS C C -1.046 -4.645 -1.883 . . . 1.0 . . . . . . . . . . . . A . 8 LYS C . . . . . . . . . c30498_6e5j 1 . 2 . 575 . 1 1 8 LYS CA C -0.454 -3.275 -1.603 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CA . . . . . . . . . c30498_6e5j 1 . 2 . 576 . 1 1 8 LYS CB C 0.170 -2.699 -2.874 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CB . . . . . . . . . c30498_6e5j 1 . 2 . 577 . 1 1 8 LYS CD C -0.164 -1.950 -5.249 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CD . . . . . . . . . c30498_6e5j 1 . 2 . 578 . 1 1 8 LYS CE C -1.172 -1.711 -6.361 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CE . . . . . . . . . c30498_6e5j 1 . 2 . 579 . 1 1 8 LYS CG C -0.833 -2.474 -3.993 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CG . . . . . . . . . c30498_6e5j 1 . 2 . 580 . 1 1 8 LYS H H 1.439 -3.036 -0.688 . . . 1.0 . . . . . . . . . . . . A . 8 LYS H . . . . . . . . . c30498_6e5j 1 . 2 . 581 . 1 1 8 LYS HA H -1.237 -2.617 -1.262 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HA . . . . . . . . . c30498_6e5j 1 . 2 . 582 . 1 1 8 LYS HB2 H 0.632 -1.751 -2.638 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB2 . . . . . . . . . c30498_6e5j 1 . 2 . 583 . 1 1 8 LYS HB3 H 0.929 -3.379 -3.231 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB3 . . . . . . . . . c30498_6e5j 1 . 2 . 584 . 1 1 8 LYS HD2 H 0.331 -1.017 -5.020 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD2 . . . . . . . . . c30498_6e5j 1 . 2 . 585 . 1 1 8 LYS HD3 H 0.565 -2.673 -5.584 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD3 . . . . . . . . . c30498_6e5j 1 . 2 . 586 . 1 1 8 LYS HE2 H -1.666 -2.644 -6.588 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE2 . . . . . . . . . c30498_6e5j 1 . 2 . 587 . 1 1 8 LYS HE3 H -1.901 -0.992 -6.020 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE3 . . . . . . . . . c30498_6e5j 1 . 2 . 588 . 1 1 8 LYS HG2 H -1.317 -3.411 -4.220 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG2 . . . . . . . . . c30498_6e5j 1 . 2 . 589 . 1 1 8 LYS HG3 H -1.569 -1.757 -3.662 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG3 . . . . . . . . . c30498_6e5j 1 . 2 . 590 . 1 1 8 LYS HZ1 H -1.234 -1.016 -8.325 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ1 . . . . . . . . . c30498_6e5j 1 . 2 . 591 . 1 1 8 LYS HZ2 H 0.161 -1.893 -7.956 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ2 . . . . . . . . . c30498_6e5j 1 . 2 . 592 . 1 1 8 LYS HZ3 H -0.018 -0.310 -7.388 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ3 . . . . . . . . . c30498_6e5j 1 . 2 . 593 . 1 1 8 LYS N N 0.536 -3.383 -0.536 . . . 1.0 . . . . . . . . . . . . A . 8 LYS N . . . . . . . . . c30498_6e5j 1 . 2 . 594 . 1 1 8 LYS NZ N -0.521 -1.197 -7.593 . . . 1.0 . . . . . . . . . . . . A . 8 LYS NZ . . . . . . . . . c30498_6e5j 1 . 2 . 595 . 1 1 8 LYS O O -2.240 -4.865 -1.694 . . . 1.0 . . . . . . . . . . . . A . 8 LYS O . . . . . . . . . c30498_6e5j 1 . 2 . 596 . 1 1 9 B3K C C -1.035 -8.309 -0.491 . . . 1.0 . . . . . . . . . . . . A . 9 B3K C . . . . . . . . . c30498_6e5j 1 . 2 . 597 . 1 1 9 B3K CA C -0.042 -7.864 -1.535 . . . 1.0 . . . . . . . . . . . . A . 9 B3K CA . . . . . . . . . c30498_6e5j 1 . 2 . 598 . 1 1 9 B3K CB C -0.646 -6.913 -2.569 . . . 1.0 . . . . . . . . . . . . A . 9 B3K CB . . . . . . . . . c30498_6e5j 1 . 2 . 599 . 1 1 9 B3K CD C -0.697 -8.728 -4.381 . . . 1.0 . . . . . . . . . . . . A . 9 B3K CD . . . . . . . . . c30498_6e5j 1 . 2 . 600 . 1 1 9 B3K CE C -0.178 -9.130 -5.754 . . . 1.0 . . . . . . . . . . . . A . 9 B3K CE . . . . . . . . . c30498_6e5j 1 . 2 . 601 . 1 1 9 B3K CF C 1.339 -9.255 -5.770 . . . 1.0 . . . . . . . . . . . . A . 9 B3K CF . . . . . . . . . c30498_6e5j 1 . 2 . 602 . 1 1 9 B3K CG C -0.172 -7.362 -3.959 . . . 1.0 . . . . . . . . . . . . A . 9 B3K CG . . . . . . . . . c30498_6e5j 1 . 2 . 603 . 1 1 9 B3K H H 0.740 -5.332 -2.476 . . . 1.0 . . . . . . . . . . . . A . 9 B3K H . . . . . . . . . c30498_6e5j 1 . 2 . 604 . 1 1 9 B3K HA1 H 0.334 -8.737 -2.041 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HA1 . . . . . . . . . c30498_6e5j 1 . 2 . 605 . 1 1 9 B3K HA2 H 0.774 -7.367 -1.031 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HA2 . . . . . . . . . c30498_6e5j 1 . 2 . 606 . 1 1 9 B3K HB H -1.746 -6.905 -2.477 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HB . . . . . . . . . c30498_6e5j 1 . 2 . 607 . 1 1 9 B3K HD2 H -1.777 -8.694 -4.411 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HD2 . . . . . . . . . c30498_6e5j 1 . 2 . 608 . 1 1 9 B3K HD3 H -0.380 -9.465 -3.661 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HD3 . . . . . . . . . c30498_6e5j 1 . 2 . 609 . 1 1 9 B3K HE2 H -0.477 -8.383 -6.473 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HE2 . . . . . . . . . c30498_6e5j 1 . 2 . 610 . 1 1 9 B3K HE3 H -0.609 -10.083 -6.025 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HE3 . . . . . . . . . c30498_6e5j 1 . 2 . 611 . 1 1 9 B3K HF1 H 1.636 -9.994 -5.040 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HF1 . . . . . . . . . c30498_6e5j 1 . 2 . 612 . 1 1 9 B3K HF2 H 1.769 -8.301 -5.509 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HF2 . . . . . . . . . c30498_6e5j 1 . 2 . 613 . 1 1 9 B3K HG2 H 0.906 -7.398 -3.962 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HG2 . . . . . . . . . c30498_6e5j 1 . 2 . 614 . 1 1 9 B3K HG3 H -0.500 -6.636 -4.688 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HG3 . . . . . . . . . c30498_6e5j 1 . 2 . 615 . 1 1 9 B3K HNZ1 H 1.577 -8.960 -7.823 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HNZ1 . . . . . . . . . c30498_6e5j 1 . 2 . 616 . 1 1 9 B3K HNZ2 H 1.457 -10.586 -7.374 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HNZ2 . . . . . . . . . c30498_6e5j 1 . 2 . 617 . 1 1 9 B3K N N -0.203 -5.570 -2.318 . . . 1.0 . . . . . . . . . . . . A . 9 B3K N . . . . . . . . . c30498_6e5j 1 . 2 . 618 . 1 1 9 B3K NZ N 1.850 -9.661 -7.106 . . . 1.0 . . . . . . . . . . . . A . 9 B3K NZ . . . . . . . . . c30498_6e5j 1 . 2 . 619 . 1 1 9 B3K O O -1.748 -9.297 -0.664 . . . 1.0 . . . . . . . . . . . . A . 9 B3K O . . . . . . . . . c30498_6e5j 1 . 2 . 620 . 1 1 10 ARG C C -3.340 -7.240 1.486 . . . 1.0 . . . . . . . . . . . . A . 10 ARG C . . . . . . . . . c30498_6e5j 1 . 2 . 621 . 1 1 10 ARG CA C -1.969 -7.862 1.717 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CA . . . . . . . . . c30498_6e5j 1 . 2 . 622 . 1 1 10 ARG CB C -1.390 -7.332 3.033 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CB . . . . . . . . . c30498_6e5j 1 . 2 . 623 . 1 1 10 ARG CD C 0.499 -7.292 4.685 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CD . . . . . . . . . c30498_6e5j 1 . 2 . 624 . 1 1 10 ARG CG C -0.037 -7.920 3.409 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CG . . . . . . . . . c30498_6e5j 1 . 2 . 625 . 1 1 10 ARG CZ C 2.587 -7.259 6.002 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CZ . . . . . . . . . c30498_6e5j 1 . 2 . 626 . 1 1 10 ARG H H -0.487 -6.781 0.672 . . . 1.0 . . . . . . . . . . . . A . 10 ARG H . . . . . . . . . c30498_6e5j 1 . 2 . 627 . 1 1 10 ARG HA H -2.076 -8.933 1.782 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HA . . . . . . . . . c30498_6e5j 1 . 2 . 628 . 1 1 10 ARG HB2 H -1.279 -6.261 2.957 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HB2 . . . . . . . . . c30498_6e5j 1 . 2 . 629 . 1 1 10 ARG HB3 H -2.084 -7.552 3.830 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HB3 . . . . . . . . . c30498_6e5j 1 . 2 . 630 . 1 1 10 ARG HD2 H 0.513 -6.219 4.562 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HD2 . . . . . . . . . c30498_6e5j 1 . 2 . 631 . 1 1 10 ARG HD3 H -0.160 -7.550 5.501 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HD3 . . . . . . . . . c30498_6e5j 1 . 2 . 632 . 1 1 10 ARG HE H 2.238 -8.459 4.439 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HE . . . . . . . . . c30498_6e5j 1 . 2 . 633 . 1 1 10 ARG HG2 H -0.147 -8.984 3.560 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HG2 . . . . . . . . . c30498_6e5j 1 . 2 . 634 . 1 1 10 ARG HG3 H 0.662 -7.738 2.606 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HG3 . . . . . . . . . c30498_6e5j 1 . 2 . 635 . 1 1 10 ARG HH11 H 2.646 -5.946 7.547 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH11 . . . . . . . . . c30498_6e5j 1 . 2 . 636 . 1 1 10 ARG HH12 H 1.161 -5.973 6.650 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH12 . . . . . . . . . c30498_6e5j 1 . 2 . 637 . 1 1 10 ARG HH21 H 4.370 -7.354 6.959 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH21 . . . . . . . . . c30498_6e5j 1 . 2 . 638 . 1 1 10 ARG HH22 H 4.188 -8.439 5.615 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH22 . . . . . . . . . c30498_6e5j 1 . 2 . 639 . 1 1 10 ARG N N -1.075 -7.562 0.608 . . . 1.0 . . . . . . . . . . . . A . 10 ARG N . . . . . . . . . c30498_6e5j 1 . 2 . 640 . 1 1 10 ARG NE N 1.852 -7.750 5.005 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NE . . . . . . . . . c30498_6e5j 1 . 2 . 641 . 1 1 10 ARG NH1 N 2.092 -6.317 6.795 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NH1 . . . . . . . . . c30498_6e5j 1 . 2 . 642 . 1 1 10 ARG NH2 N 3.812 -7.719 6.210 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NH2 . . . . . . . . . c30498_6e5j 1 . 2 . 643 . 1 1 10 ARG O O -4.364 -7.918 1.554 . . . 1.0 . . . . . . . . . . . . A . 10 ARG O . . . . . . . . . c30498_6e5j 1 . 2 . 644 . 1 1 11 TYR C C -5.200 -5.301 -0.308 . . . 1.0 . . . . . . . . . . . . A . 11 TYR C . . . . . . . . . c30498_6e5j 1 . 2 . 645 . 1 1 11 TYR CA C -4.575 -5.180 1.079 . . . 1.0 . . . . . . . . . . . . A . 11 TYR CA . . . . . . . . . c30498_6e5j 1 . 2 . 646 . 1 1 11 TYR CB C -4.289 -3.712 1.398 . . . 1.0 . . . . . . . . . . . . A . 11 TYR CB . . . . . . . . . c30498_6e5j 1 . 2 . 647 . 1 1 11 TYR CD1 C -4.480 -3.766 3.916 . . . 1.0 . . . . . . . . . . . . A . 11 TYR CD1 . . . . . . . . . c30498_6e5j 1 . 2 . 648 . 1 1 11 TYR CD2 C -2.450 -2.964 2.961 . . . 1.0 . . . . . . . . . . . . A . 11 TYR CD2 . . . . . . . . . c30498_6e5j 1 . 2 . 649 . 1 1 11 TYR CE1 C -3.975 -3.545 5.183 . . . 1.0 . . . . . . . . . . . . A . 11 TYR CE1 . . . . . . . . . c30498_6e5j 1 . 2 . 650 . 1 1 11 TYR CE2 C -1.937 -2.742 4.223 . . . 1.0 . . . . . . . . . . . . A . 11 TYR CE2 . . . . . . . . . c30498_6e5j 1 . 2 . 651 . 1 1 11 TYR CG C -3.728 -3.480 2.785 . . . 1.0 . . . . . . . . . . . . A . 11 TYR CG . . . . . . . . . c30498_6e5j 1 . 2 . 652 . 1 1 11 TYR CZ C -2.704 -3.034 5.331 . . . 1.0 . . . . . . . . . . . . A . 11 TYR CZ . . . . . . . . . c30498_6e5j 1 . 2 . 653 . 1 1 11 TYR H H -2.491 -5.504 0.978 . . . 1.0 . . . . . . . . . . . . A . 11 TYR H . . . . . . . . . c30498_6e5j 1 . 2 . 654 . 1 1 11 TYR HA H -5.267 -5.569 1.810 . . . 1.0 . . . . . . . . . . . . A . 11 TYR HA . . . . . . . . . c30498_6e5j 1 . 2 . 655 . 1 1 11 TYR HB2 H -3.574 -3.331 0.685 . . . 1.0 . . . . . . . . . . . . A . 11 TYR HB2 . . . . . . . . . c30498_6e5j 1 . 2 . 656 . 1 1 11 TYR HB3 H -5.204 -3.151 1.313 . . . 1.0 . . . . . . . . . . . . A . 11 TYR HB3 . . . . . . . . . c30498_6e5j 1 . 2 . 657 . 1 1 11 TYR HD1 H -5.475 -4.168 3.795 . . . 1.0 . . . . . . . . . . . . A . 11 TYR HD1 . . . . . . . . . c30498_6e5j 1 . 2 . 658 . 1 1 11 TYR HD2 H -1.849 -2.737 2.091 . . . 1.0 . . . . . . . . . . . . A . 11 TYR HD2 . . . . . . . . . c30498_6e5j 1 . 2 . 659 . 1 1 11 TYR HE1 H -4.575 -3.776 6.050 . . . 1.0 . . . . . . . . . . . . A . 11 TYR HE1 . . . . . . . . . c30498_6e5j 1 . 2 . 660 . 1 1 11 TYR HE2 H -0.943 -2.340 4.337 . . . 1.0 . . . . . . . . . . . . A . 11 TYR HE2 . . . . . . . . . c30498_6e5j 1 . 2 . 661 . 1 1 11 TYR HH H -1.695 -1.985 6.597 . . . 1.0 . . . . . . . . . . . . A . 11 TYR HH . . . . . . . . . c30498_6e5j 1 . 2 . 662 . 1 1 11 TYR N N -3.344 -5.951 1.172 . . . 1.0 . . . . . . . . . . . . A . 11 TYR N . . . . . . . . . c30498_6e5j 1 . 2 . 663 . 1 1 11 TYR O O -5.821 -4.359 -0.805 . . . 1.0 . . . . . . . . . . . . A . 11 TYR O . . . . . . . . . c30498_6e5j 1 . 2 . 664 . 1 1 11 TYR OH O -2.192 -2.815 6.592 . . . 1.0 . . . . . . . . . . . . A . 11 TYR OH . . . . . . . . . c30498_6e5j 1 . 2 . 665 . 1 1 12 ABA C C -7.044 -6.445 -2.380 . . . 1.0 . . . . . . . . . . . . A . 12 AIB C . . . . . . . . . c30498_6e5j 1 . 2 . 666 . 1 1 12 ABA CA C -5.546 -6.764 -2.260 . . . 1.0 . . . . . . . . . . . . A . 12 AIB CA . . . . . . . . . c30498_6e5j 1 . 2 . 667 . 1 1 12 ABA H H -4.608 -7.198 -0.407 . . . 1.0 . . . . . . . . . . . . A . 12 AIB H . . . . . . . . . c30498_6e5j 1 . 2 . 668 . 1 1 12 ABA N N -5.061 -6.483 -0.902 . . . 1.0 . . . . . . . . . . . . A . 12 AIB N . . . . . . . . . c30498_6e5j 1 . 2 . 669 . 1 1 12 ABA O O -7.513 -6.008 -3.432 . . . 1.0 . . . . . . . . . . . . A . 12 AIB O . . . . . . . . . c30498_6e5j 1 . 2 . 670 . 1 1 13 GLY C C -9.626 -5.060 -0.903 . . . 1.0 . . . . . . . . . . . . A . 13 GLY C . . . . . . . . . c30498_6e5j 1 . 2 . 671 . 1 1 13 GLY CA C -9.222 -6.454 -1.342 . . . 1.0 . . . . . . . . . . . . A . 13 GLY CA . . . . . . . . . c30498_6e5j 1 . 2 . 672 . 1 1 13 GLY H H -7.359 -6.970 -0.479 . . . 1.0 . . . . . . . . . . . . A . 13 GLY H . . . . . . . . . c30498_6e5j 1 . 2 . 673 . 1 1 13 GLY HA2 H -9.571 -6.616 -2.349 . . . 1.0 . . . . . . . . . . . . A . 13 GLY HA2 . . . . . . . . . c30498_6e5j 1 . 2 . 674 . 1 1 13 GLY HA3 H -9.691 -7.173 -0.691 . . . 1.0 . . . . . . . . . . . . A . 13 GLY HA3 . . . . . . . . . c30498_6e5j 1 . 2 . 675 . 1 1 13 GLY N N -7.787 -6.664 -1.305 . . . 1.0 . . . . . . . . . . . . A . 13 GLY N . . . . . . . . . c30498_6e5j 1 . 2 . 676 . 1 1 13 GLY O O -10.814 -4.753 -0.796 . . . 1.0 . . . . . . . . . . . . A . 13 GLY O . . . . . . . . . c30498_6e5j 1 . 2 . 677 . 1 1 14 CYS C C -8.508 -1.868 -1.298 . . . 1.0 . . . . . . . . . . . . A . 14 CYS C . . . . . . . . . c30498_6e5j 1 . 2 . 678 . 1 1 14 CYS CA C -8.892 -2.855 -0.208 . . . 1.0 . . . . . . . . . . . . A . 14 CYS CA . . . . . . . . . c30498_6e5j 1 . 2 . 679 . 1 1 14 CYS CB C -8.073 -2.562 1.051 . . . 1.0 . . . . . . . . . . . . A . 14 CYS CB . . . . . . . . . c30498_6e5j 1 . 2 . 680 . 1 1 14 CYS H H -7.714 -4.512 -0.777 . . . 1.0 . . . . . . . . . . . . A . 14 CYS H . . . . . . . . . c30498_6e5j 1 . 2 . 681 . 1 1 14 CYS HA H -9.943 -2.754 0.013 . . . 1.0 . . . . . . . . . . . . A . 14 CYS HA . . . . . . . . . c30498_6e5j 1 . 2 . 682 . 1 1 14 CYS HB2 H -7.025 -2.602 0.801 . . . 1.0 . . . . . . . . . . . . A . 14 CYS HB2 . . . . . . . . . c30498_6e5j 1 . 2 . 683 . 1 1 14 CYS HB3 H -8.312 -1.570 1.404 . . . 1.0 . . . . . . . . . . . . A . 14 CYS HB3 . . . . . . . . . c30498_6e5j 1 . 2 . 684 . 1 1 14 CYS N N -8.642 -4.216 -0.653 . . . 1.0 . . . . . . . . . . . . A . 14 CYS N . . . . . . . . . c30498_6e5j 1 . 2 . 685 . 1 1 14 CYS O O -7.951 -2.253 -2.328 . . . 1.0 . . . . . . . . . . . . A . 14 CYS O . . . . . . . . . c30498_6e5j 1 . 2 . 686 . 1 1 14 CYS SG S -8.356 -3.722 2.428 . . . 1.0 . . . . . . . . . . . . A . 14 CYS SG . . . . . . . . . c30498_6e5j 1 . 2 . 687 . 1 1 15 GLU C C -6.937 0.833 -1.480 . . . 1.0 . . . . . . . . . . . . A . 15 GLU C . . . . . . . . . c30498_6e5j 1 . 2 . 688 . 1 1 15 GLU CA C -8.341 0.466 -1.934 . . . 1.0 . . . . . . . . . . . . A . 15 GLU CA . . . . . . . . . c30498_6e5j 1 . 2 . 689 . 1 1 15 GLU CB C -9.249 1.702 -1.861 . . . 1.0 . . . . . . . . . . . . A . 15 GLU CB . . . . . . . . . c30498_6e5j 1 . 2 . 690 . 1 1 15 GLU CD C -11.434 0.434 -2.037 . . . 1.0 . . . . . . . . . . . . A . 15 GLU CD . . . . . . . . . c30498_6e5j 1 . 2 . 691 . 1 1 15 GLU CG C -10.580 1.555 -2.584 . . . 1.0 . . . . . . . . . . . . A . 15 GLU CG . . . . . . . . . c30498_6e5j 1 . 2 . 692 . 1 1 15 GLU H H -9.408 -0.377 -0.315 . . . 1.0 . . . . . . . . . . . . A . 15 GLU H . . . . . . . . . c30498_6e5j 1 . 2 . 693 . 1 1 15 GLU HA H -8.307 0.100 -2.948 . . . 1.0 . . . . . . . . . . . . A . 15 GLU HA . . . . . . . . . c30498_6e5j 1 . 2 . 694 . 1 1 15 GLU HB2 H -9.454 1.920 -0.824 . . . 1.0 . . . . . . . . . . . . A . 15 GLU HB2 . . . . . . . . . c30498_6e5j 1 . 2 . 695 . 1 1 15 GLU HB3 H -8.723 2.541 -2.293 . . . 1.0 . . . . . . . . . . . . A . 15 GLU HB3 . . . . . . . . . c30498_6e5j 1 . 2 . 696 . 1 1 15 GLU HG2 H -11.127 2.479 -2.486 . . . 1.0 . . . . . . . . . . . . A . 15 GLU HG2 . . . . . . . . . c30498_6e5j 1 . 2 . 697 . 1 1 15 GLU HG3 H -10.386 1.365 -3.629 . . . 1.0 . . . . . . . . . . . . A . 15 GLU HG3 . . . . . . . . . c30498_6e5j 1 . 2 . 698 . 1 1 15 GLU N N -8.828 -0.602 -1.078 . . . 1.0 . . . . . . . . . . . . A . 15 GLU N . . . . . . . . . c30498_6e5j 1 . 2 . 699 . 1 1 15 GLU O O -6.766 1.383 -0.396 . . . 1.0 . . . . . . . . . . . . A . 15 GLU O . . . . . . . . . c30498_6e5j 1 . 2 . 700 . 1 1 15 GLU OE1 O -12.104 0.641 -1.003 . . . 1.0 . . . . . . . . . . . . A . 15 GLU OE1 . . . . . . . . . c30498_6e5j 1 . 2 . 701 . 1 1 15 GLU OE2 O -11.441 -0.657 -2.641 . . . 1.0 . . . . . . . . . . . . A . 15 GLU OE2 . . . . . . . . . c30498_6e5j 1 . 2 . 702 . 1 1 16 MVA C C -3.586 1.251 -2.877 . . . 1.0 . . . . . . . . . . . . A . 16 MVA C . . . . . . . . . c30498_6e5j 1 . 2 . 703 . 1 1 16 MVA CA C -4.532 0.715 -1.801 . . . 1.0 . . . . . . . . . . . . A . 16 MVA CA . . . . . . . . . c30498_6e5j 1 . 2 . 704 . 1 1 16 MVA CB C -3.959 -0.595 -1.184 . . . 1.0 . . . . . . . . . . . . A . 16 MVA CB . . . . . . . . . c30498_6e5j 1 . 2 . 705 . 1 1 16 MVA CG1 C -4.001 -1.759 -2.164 . . . 1.0 . . . . . . . . . . . . A . 16 MVA CG1 . . . . . . . . . c30498_6e5j 1 . 2 . 706 . 1 1 16 MVA CG2 C -2.539 -0.367 -0.682 . . . 1.0 . . . . . . . . . . . . A . 16 MVA CG2 . . . . . . . . . c30498_6e5j 1 . 2 . 707 . 1 1 16 MVA CN C -6.171 0.097 -3.672 . . . 1.0 . . . . . . . . . . . . A . 16 MVA CN . . . . . . . . . c30498_6e5j 1 . 2 . 708 . 1 1 16 MVA HA H -4.538 1.448 -1.004 . . . 1.0 . . . . . . . . . . . . A . 16 MVA HA . . . . . . . . . c30498_6e5j 1 . 2 . 709 . 1 1 16 MVA HB H -4.571 -0.858 -0.334 . . . 1.0 . . . . . . . . . . . . A . 16 MVA HB . . . . . . . . . c30498_6e5j 1 . 2 . 710 . 1 1 16 MVA HG11 H -3.558 -2.631 -1.708 . . . 1.0 . . . . . . . . . . . . A . 16 MVA HG11 . . . . . . . . . c30498_6e5j 1 . 2 . 711 . 1 1 16 MVA HG12 H -3.452 -1.498 -3.054 . . . 1.0 . . . . . . . . . . . . A . 16 MVA HG12 . . . . . . . . . c30498_6e5j 1 . 2 . 712 . 1 1 16 MVA HG13 H -5.027 -1.972 -2.423 . . . 1.0 . . . . . . . . . . . . A . 16 MVA HG13 . . . . . . . . . c30498_6e5j 1 . 2 . 713 . 1 1 16 MVA HG21 H -1.888 -0.169 -1.521 . . . 1.0 . . . . . . . . . . . . A . 16 MVA HG21 . . . . . . . . . c30498_6e5j 1 . 2 . 714 . 1 1 16 MVA HG22 H -2.196 -1.247 -0.157 . . . 1.0 . . . . . . . . . . . . A . 16 MVA HG22 . . . . . . . . . c30498_6e5j 1 . 2 . 715 . 1 1 16 MVA HG23 H -2.526 0.480 -0.012 . . . 1.0 . . . . . . . . . . . . A . 16 MVA HG23 . . . . . . . . . c30498_6e5j 1 . 2 . 716 . 1 1 16 MVA HN1 H -6.787 0.827 -4.174 . . . 1.0 . . . . . . . . . . . . A . 16 MVA HN1 . . . . . . . . . c30498_6e5j 1 . 2 . 717 . 1 1 16 MVA HN2 H -6.680 -0.856 -3.656 . . . 1.0 . . . . . . . . . . . . A . 16 MVA HN2 . . . . . . . . . c30498_6e5j 1 . 2 . 718 . 1 1 16 MVA HN3 H -5.235 -0.005 -4.199 . . . 1.0 . . . . . . . . . . . . A . 16 MVA HN3 . . . . . . . . . c30498_6e5j 1 . 2 . 719 . 1 1 16 MVA N N -5.911 0.541 -2.283 . . . 1.0 . . . . . . . . . . . . A . 16 MVA N . . . . . . . . . c30498_6e5j 1 . 2 . 720 . 1 1 16 MVA O O -3.254 0.581 -3.859 . . . 1.0 . . . . . . . . . . . . A . 16 MVA O . . . . . . . . . c30498_6e5j 1 . 2 . 721 . 1 1 17 ARG C C -0.944 3.435 -2.855 . . . 1.0 . . . . . . . . . . . . A . 17 ARG C . . . . . . . . . c30498_6e5j 1 . 2 . 722 . 1 1 17 ARG CA C -2.248 3.146 -3.574 . . . 1.0 . . . . . . . . . . . . A . 17 ARG CA . . . . . . . . . c30498_6e5j 1 . 2 . 723 . 1 1 17 ARG CB C -2.863 4.447 -4.087 . . . 1.0 . . . . . . . . . . . . A . 17 ARG CB . . . . . . . . . c30498_6e5j 1 . 2 . 724 . 1 1 17 ARG CD C -4.795 5.585 -5.224 . . . 1.0 . . . . . . . . . . . . A . 17 ARG CD . . . . . . . . . c30498_6e5j 1 . 2 . 725 . 1 1 17 ARG CG C -4.216 4.261 -4.754 . . . 1.0 . . . . . . . . . . . . A . 17 ARG CG . . . . . . . . . c30498_6e5j 1 . 2 . 726 . 1 1 17 ARG CZ C -6.035 7.174 -3.787 . . . 1.0 . . . . . . . . . . . . A . 17 ARG CZ . . . . . . . . . c30498_6e5j 1 . 2 . 727 . 1 1 17 ARG H H -3.448 2.951 -1.856 . . . 1.0 . . . . . . . . . . . . A . 17 ARG H . . . . . . . . . c30498_6e5j 1 . 2 . 728 . 1 1 17 ARG HA H -2.056 2.486 -4.405 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HA . . . . . . . . . c30498_6e5j 1 . 2 . 729 . 1 1 17 ARG HB2 H -2.985 5.124 -3.256 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HB2 . . . . . . . . . c30498_6e5j 1 . 2 . 730 . 1 1 17 ARG HB3 H -2.190 4.890 -4.805 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HB3 . . . . . . . . . c30498_6e5j 1 . 2 . 731 . 1 1 17 ARG HD2 H -4.155 5.992 -5.993 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HD2 . . . . . . . . . c30498_6e5j 1 . 2 . 732 . 1 1 17 ARG HD3 H -5.777 5.406 -5.634 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HD3 . . . . . . . . . c30498_6e5j 1 . 2 . 733 . 1 1 17 ARG HE H -4.080 6.762 -3.634 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HE . . . . . . . . . c30498_6e5j 1 . 2 . 734 . 1 1 17 ARG HG2 H -4.099 3.607 -5.605 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HG2 . . . . . . . . . c30498_6e5j 1 . 2 . 735 . 1 1 17 ARG HG3 H -4.896 3.812 -4.044 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HG3 . . . . . . . . . c30498_6e5j 1 . 2 . 736 . 1 1 17 ARG HH11 H -7.186 6.281 -5.198 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HH11 . . . . . . . . . c30498_6e5j 1 . 2 . 737 . 1 1 17 ARG HH12 H -8.011 7.408 -4.167 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HH12 . . . . . . . . . c30498_6e5j 1 . 2 . 738 . 1 1 17 ARG HH21 H -6.875 8.513 -2.522 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HH21 . . . . . . . . . c30498_6e5j 1 . 2 . 739 . 1 1 17 ARG HH22 H -5.176 8.243 -2.300 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HH22 . . . . . . . . . c30498_6e5j 1 . 2 . 740 . 1 1 17 ARG N N -3.157 2.480 -2.667 . . . 1.0 . . . . . . . . . . . . A . 17 ARG N . . . . . . . . . c30498_6e5j 1 . 2 . 741 . 1 1 17 ARG NE N -4.905 6.554 -4.134 . . . 1.0 . . . . . . . . . . . . A . 17 ARG NE . . . . . . . . . c30498_6e5j 1 . 2 . 742 . 1 1 17 ARG NH1 N -7.167 6.933 -4.436 . . . 1.0 . . . . . . . . . . . . A . 17 ARG NH1 . . . . . . . . . c30498_6e5j 1 . 2 . 743 . 1 1 17 ARG NH2 N -6.028 8.043 -2.789 . . . 1.0 . . . . . . . . . . . . A . 17 ARG NH2 . . . . . . . . . c30498_6e5j 1 . 2 . 744 . 1 1 17 ARG O O -0.895 4.251 -1.935 . . . 1.0 . . . . . . . . . . . . A . 17 ARG O . . . . . . . . . c30498_6e5j 1 . 2 . 745 . 1 1 18 CYS C C 2.281 3.781 -3.546 . . . 1.0 . . . . . . . . . . . . A . 18 CYS C . . . . . . . . . c30498_6e5j 1 . 2 . 746 . 1 1 18 CYS CA C 1.402 2.926 -2.649 . . . 1.0 . . . . . . . . . . . . A . 18 CYS CA . . . . . . . . . c30498_6e5j 1 . 2 . 747 . 1 1 18 CYS CB C 2.053 1.572 -2.375 . . . 1.0 . . . . . . . . . . . . A . 18 CYS CB . . . . . . . . . c30498_6e5j 1 . 2 . 748 . 1 1 18 CYS H H -0.006 2.087 -3.976 . . . 1.0 . . . . . . . . . . . . A . 18 CYS H . . . . . . . . . c30498_6e5j 1 . 2 . 749 . 1 1 18 CYS HA H 1.257 3.439 -1.710 . . . 1.0 . . . . . . . . . . . . A . 18 CYS HA . . . . . . . . . c30498_6e5j 1 . 2 . 750 . 1 1 18 CYS HB2 H 3.097 1.721 -2.141 . . . 1.0 . . . . . . . . . . . . A . 18 CYS HB2 . . . . . . . . . c30498_6e5j 1 . 2 . 751 . 1 1 18 CYS HB3 H 1.560 1.113 -1.532 . . . 1.0 . . . . . . . . . . . . A . 18 CYS HB3 . . . . . . . . . c30498_6e5j 1 . 2 . 752 . 1 1 18 CYS N N 0.098 2.740 -3.251 . . . 1.0 . . . . . . . . . . . . A . 18 CYS N . . . . . . . . . c30498_6e5j 1 . 2 . 753 . 1 1 18 CYS O O 2.264 3.639 -4.770 . . . 1.0 . . . . . . . . . . . . A . 18 CYS O . . . . . . . . . c30498_6e5j 1 . 2 . 754 . 1 1 18 CYS SG S 1.959 0.405 -3.771 . . . 1.0 . . . . . . . . . . . . A . 18 CYS SG . . . . . . . . . c30498_6e5j 1 . 2 . 755 . 1 1 19 ASP C C 5.220 5.761 -2.958 . . . 1.0 . . . . . . . . . . . . A . 19 ASP C . . . . . . . . . c30498_6e5j 1 . 2 . 756 . 1 1 19 ASP CA C 3.894 5.586 -3.685 . . . 1.0 . . . . . . . . . . . . A . 19 ASP CA . . . . . . . . . c30498_6e5j 1 . 2 . 757 . 1 1 19 ASP CB C 3.204 6.940 -3.869 . . . 1.0 . . . . . . . . . . . . A . 19 ASP CB . . . . . . . . . c30498_6e5j 1 . 2 . 758 . 1 1 19 ASP CG C 3.991 7.879 -4.760 . . . 1.0 . . . . . . . . . . . . A . 19 ASP CG . . . . . . . . . c30498_6e5j 1 . 2 . 759 . 1 1 19 ASP H H 3.017 4.743 -1.956 . . . 1.0 . . . . . . . . . . . . A . 19 ASP H . . . . . . . . . c30498_6e5j 1 . 2 . 760 . 1 1 19 ASP HA H 4.079 5.147 -4.652 . . . 1.0 . . . . . . . . . . . . A . 19 ASP HA . . . . . . . . . c30498_6e5j 1 . 2 . 761 . 1 1 19 ASP HB2 H 2.233 6.783 -4.313 . . . 1.0 . . . . . . . . . . . . A . 19 ASP HB2 . . . . . . . . . c30498_6e5j 1 . 2 . 762 . 1 1 19 ASP HB3 H 3.082 7.407 -2.903 . . . 1.0 . . . . . . . . . . . . A . 19 ASP HB3 . . . . . . . . . c30498_6e5j 1 . 2 . 763 . 1 1 19 ASP N N 3.034 4.683 -2.939 . . . 1.0 . . . . . . . . . . . . A . 19 ASP N . . . . . . . . . c30498_6e5j 1 . 2 . 764 . 1 1 19 ASP O O 5.392 6.698 -2.180 . . . 1.0 . . . . . . . . . . . . A . 19 ASP O . . . . . . . . . c30498_6e5j 1 . 2 . 765 . 1 1 19 ASP OD1 O 4.540 8.875 -4.242 . . . 1.0 . . . . . . . . . . . . A . 19 ASP OD1 . . . . . . . . . c30498_6e5j 1 . 2 . 766 . 1 1 19 ASP OD2 O 4.077 7.625 -5.978 . . . 1.0 . . . . . . . . . . . . A . 19 ASP OD2 . . . . . . . . . c30498_6e5j 1 . 2 . 767 . 1 1 20 DPR C C 7.293 4.676 -0.999 . . . 1.0 . . . . . . . . . . . . A . 20 DPR C . . . . . . . . . c30498_6e5j 1 . 2 . 768 . 1 1 20 DPR CA C 7.468 4.860 -2.505 . . . 1.0 . . . . . . . . . . . . A . 20 DPR CA . . . . . . . . . c30498_6e5j 1 . 2 . 769 . 1 1 20 DPR CB C 8.224 3.674 -3.105 . . . 1.0 . . . . . . . . . . . . A . 20 DPR CB . . . . . . . . . c30498_6e5j 1 . 2 . 770 . 1 1 20 DPR CD C 6.086 3.748 -4.167 . . . 1.0 . . . . . . . . . . . . A . 20 DPR CD . . . . . . . . . c30498_6e5j 1 . 2 . 771 . 1 1 20 DPR CG C 7.521 3.366 -4.381 . . . 1.0 . . . . . . . . . . . . A . 20 DPR CG . . . . . . . . . c30498_6e5j 1 . 2 . 772 . 1 1 20 DPR HA H 8.017 5.767 -2.698 . . . 1.0 . . . . . . . . . . . . A . 20 DPR HA . . . . . . . . . c30498_6e5j 1 . 2 . 773 . 1 1 20 DPR HB2 H 8.183 2.840 -2.421 . . . 1.0 . . . . . . . . . . . . A . 20 DPR HB2 . . . . . . . . . c30498_6e5j 1 . 2 . 774 . 1 1 20 DPR HB3 H 9.252 3.954 -3.279 . . . 1.0 . . . . . . . . . . . . A . 20 DPR HB3 . . . . . . . . . c30498_6e5j 1 . 2 . 775 . 1 1 20 DPR HD2 H 5.530 2.920 -3.757 . . . 1.0 . . . . . . . . . . . . A . 20 DPR HD2 . . . . . . . . . c30498_6e5j 1 . 2 . 776 . 1 1 20 DPR HD3 H 5.645 4.082 -5.093 . . . 1.0 . . . . . . . . . . . . A . 20 DPR HD3 . . . . . . . . . c30498_6e5j 1 . 2 . 777 . 1 1 20 DPR HG2 H 7.600 2.311 -4.598 . . . 1.0 . . . . . . . . . . . . A . 20 DPR HG2 . . . . . . . . . c30498_6e5j 1 . 2 . 778 . 1 1 20 DPR HG3 H 7.948 3.948 -5.183 . . . 1.0 . . . . . . . . . . . . A . 20 DPR HG3 . . . . . . . . . c30498_6e5j 1 . 2 . 779 . 1 1 20 DPR N N 6.176 4.851 -3.198 . . . 1.0 . . . . . . . . . . . . A . 20 DPR N . . . . . . . . . c30498_6e5j 1 . 2 . 780 . 1 1 20 DPR O O 6.829 3.630 -0.544 . . . 1.0 . . . . . . . . . . . . A . 20 DPR O . . . . . . . . . c30498_6e5j 1 . 2 . 781 . 1 1 21 PRO C C 6.059 5.953 1.679 . . . 1.0 . . . . . . . . . . . . A . 21 PRO C . . . . . . . . . c30498_6e5j 1 . 2 . 782 . 1 1 21 PRO CA C 7.497 5.669 1.243 . . . 1.0 . . . . . . . . . . . . A . 21 PRO CA . . . . . . . . . c30498_6e5j 1 . 2 . 783 . 1 1 21 PRO CB C 8.428 6.784 1.713 . . . 1.0 . . . . . . . . . . . . A . 21 PRO CB . . . . . . . . . c30498_6e5j 1 . 2 . 784 . 1 1 21 PRO CD C 8.300 6.941 -0.674 . . . 1.0 . . . . . . . . . . . . A . 21 PRO CD . . . . . . . . . c30498_6e5j 1 . 2 . 785 . 1 1 21 PRO CG C 8.445 7.757 0.584 . . . 1.0 . . . . . . . . . . . . A . 21 PRO CG . . . . . . . . . c30498_6e5j 1 . 2 . 786 . 1 1 21 PRO HA H 7.820 4.727 1.659 . . . 1.0 . . . . . . . . . . . . A . 21 PRO HA . . . . . . . . . c30498_6e5j 1 . 2 . 787 . 1 1 21 PRO HB2 H 8.035 7.229 2.616 . . . 1.0 . . . . . . . . . . . . A . 21 PRO HB2 . . . . . . . . . c30498_6e5j 1 . 2 . 788 . 1 1 21 PRO HB3 H 9.413 6.383 1.902 . . . 1.0 . . . . . . . . . . . . A . 21 PRO HB3 . . . . . . . . . c30498_6e5j 1 . 2 . 789 . 1 1 21 PRO HD2 H 7.670 7.453 -1.384 . . . 1.0 . . . . . . . . . . . . A . 21 PRO HD2 . . . . . . . . . c30498_6e5j 1 . 2 . 790 . 1 1 21 PRO HD3 H 9.269 6.738 -1.105 . . . 1.0 . . . . . . . . . . . . A . 21 PRO HD3 . . . . . . . . . c30498_6e5j 1 . 2 . 791 . 1 1 21 PRO HG2 H 7.620 8.445 0.680 . . . 1.0 . . . . . . . . . . . . A . 21 PRO HG2 . . . . . . . . . c30498_6e5j 1 . 2 . 792 . 1 1 21 PRO HG3 H 9.382 8.292 0.575 . . . 1.0 . . . . . . . . . . . . A . 21 PRO HG3 . . . . . . . . . c30498_6e5j 1 . 2 . 793 . 1 1 21 PRO N N 7.662 5.694 -0.211 . . . 1.0 . . . . . . . . . . . . A . 21 PRO N . . . . . . . . . c30498_6e5j 1 . 2 . 794 . 1 1 21 PRO O O 5.729 5.863 2.862 . . . 1.0 . . . . . . . . . . . . A . 21 PRO O . . . . . . . . . c30498_6e5j 1 . 2 . 795 . 1 1 22 ARG C C 2.885 5.477 0.764 . . . 1.0 . . . . . . . . . . . . A . 22 ARG C . . . . . . . . . c30498_6e5j 1 . 2 . 796 . 1 1 22 ARG CA C 3.826 6.645 1.018 . . . 1.0 . . . . . . . . . . . . A . 22 ARG CA . . . . . . . . . c30498_6e5j 1 . 2 . 797 . 1 1 22 ARG CB C 3.399 7.852 0.185 . . . 1.0 . . . . . . . . . . . . A . 22 ARG CB . . . . . . . . . c30498_6e5j 1 . 2 . 798 . 1 1 22 ARG CD C 3.808 9.548 1.988 . . . 1.0 . . . . . . . . . . . . A . 22 ARG CD . . . . . . . . . c30498_6e5j 1 . 2 . 799 . 1 1 22 ARG CG C 4.121 9.135 0.559 . . . 1.0 . . . . . . . . . . . . A . 22 ARG CG . . . . . . . . . c30498_6e5j 1 . 2 . 800 . 1 1 22 ARG CZ C 4.567 11.215 3.631 . . . 1.0 . . . . . . . . . . . . A . 22 ARG CZ . . . . . . . . . c30498_6e5j 1 . 2 . 801 . 1 1 22 ARG H H 5.510 6.289 -0.214 . . . 1.0 . . . . . . . . . . . . A . 22 ARG H . . . . . . . . . c30498_6e5j 1 . 2 . 802 . 1 1 22 ARG HA H 3.773 6.904 2.064 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HA . . . . . . . . . c30498_6e5j 1 . 2 . 803 . 1 1 22 ARG HB2 H 3.598 7.645 -0.855 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HB2 . . . . . . . . . c30498_6e5j 1 . 2 . 804 . 1 1 22 ARG HB3 H 2.339 8.009 0.315 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HB3 . . . . . . . . . c30498_6e5j 1 . 2 . 805 . 1 1 22 ARG HD2 H 2.747 9.732 2.072 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HD2 . . . . . . . . . c30498_6e5j 1 . 2 . 806 . 1 1 22 ARG HD3 H 4.086 8.741 2.651 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HD3 . . . . . . . . . c30498_6e5j 1 . 2 . 807 . 1 1 22 ARG HE H 5.019 11.242 1.679 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HE . . . . . . . . . c30498_6e5j 1 . 2 . 808 . 1 1 22 ARG HG2 H 5.185 8.979 0.464 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HG2 . . . . . . . . . c30498_6e5j 1 . 2 . 809 . 1 1 22 ARG HG3 H 3.808 9.923 -0.110 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HG3 . . . . . . . . . c30498_6e5j 1 . 2 . 810 . 1 1 22 ARG HH11 H 3.947 10.928 5.538 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HH11 . . . . . . . . . c30498_6e5j 1 . 2 . 811 . 1 1 22 ARG HH12 H 3.394 9.750 4.393 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HH12 . . . . . . . . . c30498_6e5j 1 . 2 . 812 . 1 1 22 ARG HH21 H 5.285 12.666 4.848 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HH21 . . . . . . . . . c30498_6e5j 1 . 2 . 813 . 1 1 22 ARG HH22 H 5.751 12.801 3.181 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HH22 . . . . . . . . . c30498_6e5j 1 . 2 . 814 . 1 1 22 ARG N N 5.206 6.288 0.721 . . . 1.0 . . . . . . . . . . . . A . 22 ARG N . . . . . . . . . c30498_6e5j 1 . 2 . 815 . 1 1 22 ARG NE N 4.529 10.752 2.385 . . . 1.0 . . . . . . . . . . . . A . 22 ARG NE . . . . . . . . . c30498_6e5j 1 . 2 . 816 . 1 1 22 ARG NH1 N 3.917 10.580 4.598 . . . 1.0 . . . . . . . . . . . . A . 22 ARG NH1 . . . . . . . . . c30498_6e5j 1 . 2 . 817 . 1 1 22 ARG NH2 N 5.254 12.315 3.909 . . . 1.0 . . . . . . . . . . . . A . 22 ARG NH2 . . . . . . . . . c30498_6e5j 1 . 2 . 818 . 1 1 22 ARG O O 3.061 4.721 -0.194 . . . 1.0 . . . . . . . . . . . . A . 22 ARG O . . . . . . . . . c30498_6e5j 1 . 2 . 819 . 1 1 23 TYR C C -0.488 4.800 1.795 . . . 1.0 . . . . . . . . . . . . A . 23 TYR C . . . . . . . . . c30498_6e5j 1 . 2 . 820 . 1 1 23 TYR CA C 0.912 4.267 1.524 . . . 1.0 . . . . . . . . . . . . A . 23 TYR CA . . . . . . . . . c30498_6e5j 1 . 2 . 821 . 1 1 23 TYR CB C 1.220 3.148 2.521 . . . 1.0 . . . . . . . . . . . . A . 23 TYR CB . . . . . . . . . c30498_6e5j 1 . 2 . 822 . 1 1 23 TYR CD1 C 3.590 2.938 3.348 . . . 1.0 . . . . . . . . . . . . A . 23 TYR CD1 . . . . . . . . . c30498_6e5j 1 . 2 . 823 . 1 1 23 TYR CD2 C 2.971 1.744 1.381 . . . 1.0 . . . . . . . . . . . . A . 23 TYR CD2 . . . . . . . . . c30498_6e5j 1 . 2 . 824 . 1 1 23 TYR CE1 C 4.873 2.441 3.250 . . . 1.0 . . . . . . . . . . . . A . 23 TYR CE1 . . . . . . . . . c30498_6e5j 1 . 2 . 825 . 1 1 23 TYR CE2 C 4.250 1.242 1.277 . . . 1.0 . . . . . . . . . . . . A . 23 TYR CE2 . . . . . . . . . c30498_6e5j 1 . 2 . 826 . 1 1 23 TYR CG C 2.620 2.599 2.417 . . . 1.0 . . . . . . . . . . . . A . 23 TYR CG . . . . . . . . . c30498_6e5j 1 . 2 . 827 . 1 1 23 TYR CZ C 5.196 1.583 2.240 . . . 1.0 . . . . . . . . . . . . A . 23 TYR CZ . . . . . . . . . c30498_6e5j 1 . 2 . 828 . 1 1 23 TYR H H 1.812 5.981 2.370 . . . 1.0 . . . . . . . . . . . . A . 23 TYR H . . . . . . . . . c30498_6e5j 1 . 2 . 829 . 1 1 23 TYR HA H 0.954 3.870 0.521 . . . 1.0 . . . . . . . . . . . . A . 23 TYR HA . . . . . . . . . c30498_6e5j 1 . 2 . 830 . 1 1 23 TYR HB2 H 1.088 3.526 3.523 . . . 1.0 . . . . . . . . . . . . A . 23 TYR HB2 . . . . . . . . . c30498_6e5j 1 . 2 . 831 . 1 1 23 TYR HB3 H 0.530 2.332 2.356 . . . 1.0 . . . . . . . . . . . . A . 23 TYR HB3 . . . . . . . . . c30498_6e5j 1 . 2 . 832 . 1 1 23 TYR HD1 H 3.329 3.600 4.160 . . . 1.0 . . . . . . . . . . . . A . 23 TYR HD1 . . . . . . . . . c30498_6e5j 1 . 2 . 833 . 1 1 23 TYR HD2 H 2.224 1.471 0.650 . . . 1.0 . . . . . . . . . . . . A . 23 TYR HD2 . . . . . . . . . c30498_6e5j 1 . 2 . 834 . 1 1 23 TYR HE1 H 5.614 2.717 3.983 . . . 1.0 . . . . . . . . . . . . A . 23 TYR HE1 . . . . . . . . . c30498_6e5j 1 . 2 . 835 . 1 1 23 TYR HE2 H 4.504 0.578 0.464 . . . 1.0 . . . . . . . . . . . . A . 23 TYR HE2 . . . . . . . . . c30498_6e5j 1 . 2 . 836 . 1 1 23 TYR HH H 6.805 1.252 1.210 . . . 1.0 . . . . . . . . . . . . A . 23 TYR HH . . . . . . . . . c30498_6e5j 1 . 2 . 837 . 1 1 23 TYR N N 1.892 5.337 1.631 . . . 1.0 . . . . . . . . . . . . A . 23 TYR N . . . . . . . . . c30498_6e5j 1 . 2 . 838 . 1 1 23 TYR O O -0.769 5.308 2.882 . . . 1.0 . . . . . . . . . . . . A . 23 TYR O . . . . . . . . . c30498_6e5j 1 . 2 . 839 . 1 1 23 TYR OH O 6.478 1.101 2.108 . . . 1.0 . . . . . . . . . . . . A . 23 TYR OH . . . . . . . . . c30498_6e5j 1 . 2 . 840 . 1 1 24 GLU C C -3.639 3.849 0.908 . . . 1.0 . . . . . . . . . . . . A . 24 GLU C . . . . . . . . . c30498_6e5j 1 . 2 . 841 . 1 1 24 GLU CA C -2.747 5.087 0.972 . . . 1.0 . . . . . . . . . . . . A . 24 GLU CA . . . . . . . . . c30498_6e5j 1 . 2 . 842 . 1 1 24 GLU CB C -3.134 6.082 -0.125 . . . 1.0 . . . . . . . . . . . . A . 24 GLU CB . . . . . . . . . c30498_6e5j 1 . 2 . 843 . 1 1 24 GLU CD C -4.516 7.543 1.397 . . . 1.0 . . . . . . . . . . . . A . 24 GLU CD . . . . . . . . . c30498_6e5j 1 . 2 . 844 . 1 1 24 GLU CG C -4.475 6.757 0.103 . . . 1.0 . . . . . . . . . . . . A . 24 GLU CG . . . . . . . . . c30498_6e5j 1 . 2 . 845 . 1 1 24 GLU H H -1.065 4.327 -0.055 . . . 1.0 . . . . . . . . . . . . A . 24 GLU H . . . . . . . . . c30498_6e5j 1 . 2 . 846 . 1 1 24 GLU HA H -2.853 5.557 1.936 . . . 1.0 . . . . . . . . . . . . A . 24 GLU HA . . . . . . . . . c30498_6e5j 1 . 2 . 847 . 1 1 24 GLU HB2 H -2.375 6.848 -0.185 . . . 1.0 . . . . . . . . . . . . A . 24 GLU HB2 . . . . . . . . . c30498_6e5j 1 . 2 . 848 . 1 1 24 GLU HB3 H -3.178 5.559 -1.066 . . . 1.0 . . . . . . . . . . . . A . 24 GLU HB3 . . . . . . . . . c30498_6e5j 1 . 2 . 849 . 1 1 24 GLU HG2 H -4.670 7.432 -0.717 . . . 1.0 . . . . . . . . . . . . A . 24 GLU HG2 . . . . . . . . . c30498_6e5j 1 . 2 . 850 . 1 1 24 GLU HG3 H -5.243 5.999 0.135 . . . 1.0 . . . . . . . . . . . . A . 24 GLU HG3 . . . . . . . . . c30498_6e5j 1 . 2 . 851 . 1 1 24 GLU N N -1.360 4.688 0.811 . . . 1.0 . . . . . . . . . . . . A . 24 GLU N . . . . . . . . . c30498_6e5j 1 . 2 . 852 . 1 1 24 GLU O O -3.747 3.223 -0.141 . . . 1.0 . . . . . . . . . . . . A . 24 GLU O . . . . . . . . . c30498_6e5j 1 . 2 . 853 . 1 1 24 GLU OE1 O -5.415 7.288 2.221 . . . 1.0 . . . . . . . . . . . . A . 24 GLU OE1 . . . . . . . . . c30498_6e5j 1 . 2 . 854 . 1 1 24 GLU OE2 O -3.642 8.413 1.599 . . . 1.0 . . . . . . . . . . . . A . 24 GLU OE2 . . . . . . . . . c30498_6e5j 1 . 2 . 855 . 1 1 25 MVA C C -6.384 2.306 2.808 . . . 1.0 . . . . . . . . . . . . A . 25 MVA C . . . . . . . . . c30498_6e5j 1 . 2 . 856 . 1 1 25 MVA CA C -5.065 2.208 2.032 . . . 1.0 . . . . . . . . . . . . A . 25 MVA CA . . . . . . . . . c30498_6e5j 1 . 2 . 857 . 1 1 25 MVA CB C -4.231 1.007 2.566 . . . 1.0 . . . . . . . . . . . . A . 25 MVA CB . . . . . . . . . c30498_6e5j 1 . 2 . 858 . 1 1 25 MVA CG1 C -3.666 1.259 3.956 . . . 1.0 . . . . . . . . . . . . A . 25 MVA CG1 . . . . . . . . . c30498_6e5j 1 . 2 . 859 . 1 1 25 MVA CG2 C -5.071 -0.259 2.560 . . . 1.0 . . . . . . . . . . . . A . 25 MVA CG2 . . . . . . . . . c30498_6e5j 1 . 2 . 860 . 1 1 25 MVA CN C -4.251 4.342 3.216 . . . 1.0 . . . . . . . . . . . . A . 25 MVA CN . . . . . . . . . c30498_6e5j 1 . 2 . 861 . 1 1 25 MVA HA H -5.330 1.963 1.011 . . . 1.0 . . . . . . . . . . . . A . 25 MVA HA . . . . . . . . . c30498_6e5j 1 . 2 . 862 . 1 1 25 MVA HB H -3.399 0.855 1.895 . . . 1.0 . . . . . . . . . . . . A . 25 MVA HB . . . . . . . . . c30498_6e5j 1 . 2 . 863 . 1 1 25 MVA HG11 H -3.112 0.391 4.283 . . . 1.0 . . . . . . . . . . . . A . 25 MVA HG11 . . . . . . . . . c30498_6e5j 1 . 2 . 864 . 1 1 25 MVA HG12 H -4.476 1.450 4.645 . . . 1.0 . . . . . . . . . . . . A . 25 MVA HG12 . . . . . . . . . c30498_6e5j 1 . 2 . 865 . 1 1 25 MVA HG13 H -3.008 2.115 3.928 . . . 1.0 . . . . . . . . . . . . A . 25 MVA HG13 . . . . . . . . . c30498_6e5j 1 . 2 . 866 . 1 1 25 MVA HG21 H -5.924 -0.128 3.208 . . . 1.0 . . . . . . . . . . . . A . 25 MVA HG21 . . . . . . . . . c30498_6e5j 1 . 2 . 867 . 1 1 25 MVA HG22 H -4.475 -1.089 2.913 . . . 1.0 . . . . . . . . . . . . A . 25 MVA HG22 . . . . . . . . . c30498_6e5j 1 . 2 . 868 . 1 1 25 MVA HG23 H -5.411 -0.462 1.556 . . . 1.0 . . . . . . . . . . . . A . 25 MVA HG23 . . . . . . . . . c30498_6e5j 1 . 2 . 869 . 1 1 25 MVA HN1 H -3.236 4.424 3.572 . . . 1.0 . . . . . . . . . . . . A . 25 MVA HN1 . . . . . . . . . c30498_6e5j 1 . 2 . 870 . 1 1 25 MVA HN2 H -4.873 3.916 3.991 . . . 1.0 . . . . . . . . . . . . A . 25 MVA HN2 . . . . . . . . . c30498_6e5j 1 . 2 . 871 . 1 1 25 MVA HN3 H -4.621 5.322 2.957 . . . 1.0 . . . . . . . . . . . . A . 25 MVA HN3 . . . . . . . . . c30498_6e5j 1 . 2 . 872 . 1 1 25 MVA N N -4.289 3.468 2.021 . . . 1.0 . . . . . . . . . . . . A . 25 MVA N . . . . . . . . . c30498_6e5j 1 . 2 . 873 . 1 1 25 MVA O O -6.424 2.594 4.006 . . . 1.0 . . . . . . . . . . . . A . 25 MVA O . . . . . . . . . c30498_6e5j 1 . 2 . 874 . 1 1 26 HIS C C -9.513 0.772 2.507 . . . 1.0 . . . . . . . . . . . . A . 26 HIS C . . . . . . . . . c30498_6e5j 1 . 2 . 875 . 1 1 26 HIS CA C -8.809 2.114 2.667 . . . 1.0 . . . . . . . . . . . . A . 26 HIS CA . . . . . . . . . c30498_6e5j 1 . 2 . 876 . 1 1 26 HIS CB C -9.628 3.213 1.979 . . . 1.0 . . . . . . . . . . . . A . 26 HIS CB . . . . . . . . . c30498_6e5j 1 . 2 . 877 . 1 1 26 HIS CD2 C -7.944 5.147 1.582 . . . 1.0 . . . . . . . . . . . . A . 26 HIS CD2 . . . . . . . . . c30498_6e5j 1 . 2 . 878 . 1 1 26 HIS CE1 C -8.899 6.666 2.827 . . . 1.0 . . . . . . . . . . . . A . 26 HIS CE1 . . . . . . . . . c30498_6e5j 1 . 2 . 879 . 1 1 26 HIS CG C -9.053 4.590 2.122 . . . 1.0 . . . . . . . . . . . . A . 26 HIS CG . . . . . . . . . c30498_6e5j 1 . 2 . 880 . 1 1 26 HIS H H -7.370 1.785 1.154 . . . 1.0 . . . . . . . . . . . . A . 26 HIS H . . . . . . . . . c30498_6e5j 1 . 2 . 881 . 1 1 26 HIS HA H -8.717 2.342 3.718 . . . 1.0 . . . . . . . . . . . . A . 26 HIS HA . . . . . . . . . c30498_6e5j 1 . 2 . 882 . 1 1 26 HIS HB2 H -9.697 2.992 0.925 . . . 1.0 . . . . . . . . . . . . A . 26 HIS HB2 . . . . . . . . . c30498_6e5j 1 . 2 . 883 . 1 1 26 HIS HB3 H -10.620 3.222 2.401 . . . 1.0 . . . . . . . . . . . . A . 26 HIS HB3 . . . . . . . . . c30498_6e5j 1 . 2 . 884 . 1 1 26 HIS HD1 H -10.458 5.480 3.420 . . . 1.0 . . . . . . . . . . . . A . 26 HIS HD1 . . . . . . . . . c30498_6e5j 1 . 2 . 885 . 1 1 26 HIS HD2 H -7.247 4.663 0.913 . . . 1.0 . . . . . . . . . . . . A . 26 HIS HD2 . . . . . . . . . c30498_6e5j 1 . 2 . 886 . 1 1 26 HIS HE1 H -9.110 7.596 3.331 . . . 1.0 . . . . . . . . . . . . A . 26 HIS HE1 . . . . . . . . . c30498_6e5j 1 . 2 . 887 . 1 1 26 HIS HE2 H -7.043 6.987 2.023 . . . 1.0 . . . . . . . . . . . . A . 26 HIS HE2 . . . . . . . . . c30498_6e5j 1 . 2 . 888 . 1 1 26 HIS N N -7.472 2.046 2.098 . . . 1.0 . . . . . . . . . . . . A . 26 HIS N . . . . . . . . . c30498_6e5j 1 . 2 . 889 . 1 1 26 HIS ND1 N -9.629 5.570 2.896 . . . 1.0 . . . . . . . . . . . . A . 26 HIS ND1 . . . . . . . . . c30498_6e5j 1 . 2 . 890 . 1 1 26 HIS NE2 N -7.868 6.437 2.037 . . . 1.0 . . . . . . . . . . . . A . 26 HIS NE2 . . . . . . . . . c30498_6e5j 1 . 2 . 891 . 1 1 26 HIS O O -9.741 0.312 1.388 . . . 1.0 . . . . . . . . . . . . A . 26 HIS O . . . . . . . . . c30498_6e5j 1 . 2 . 892 . 1 1 27 CYS C C -11.986 -0.964 3.997 . . . 1.0 . . . . . . . . . . . . A . 27 CYS C . . . . . . . . . c30498_6e5j 1 . 2 . 893 . 1 1 27 CYS CA C -10.528 -1.140 3.599 . . . 1.0 . . . . . . . . . . . . A . 27 CYS CA . . . . . . . . . c30498_6e5j 1 . 2 . 894 . 1 1 27 CYS CB C -9.850 -2.134 4.539 . . . 1.0 . . . . . . . . . . . . A . 27 CYS CB . . . . . . . . . c30498_6e5j 1 . 2 . 895 . 1 1 27 CYS H H -9.607 0.543 4.485 . . . 1.0 . . . . . . . . . . . . A . 27 CYS H . . . . . . . . . c30498_6e5j 1 . 2 . 896 . 1 1 27 CYS HA H -10.484 -1.523 2.590 . . . 1.0 . . . . . . . . . . . . A . 27 CYS HA . . . . . . . . . c30498_6e5j 1 . 2 . 897 . 1 1 27 CYS HB2 H -9.826 -1.716 5.531 . . . 1.0 . . . . . . . . . . . . A . 27 CYS HB2 . . . . . . . . . c30498_6e5j 1 . 2 . 898 . 1 1 27 CYS HB3 H -10.424 -3.048 4.554 . . . 1.0 . . . . . . . . . . . . A . 27 CYS HB3 . . . . . . . . . c30498_6e5j 1 . 2 . 899 . 1 1 27 CYS N N -9.836 0.140 3.621 . . . 1.0 . . . . . . . . . . . . A . 27 CYS N . . . . . . . . . c30498_6e5j 1 . 2 . 900 . 1 1 27 CYS O O -12.376 -1.243 5.130 . . . 1.0 . . . . . . . . . . . . A . 27 CYS O . . . . . . . . . c30498_6e5j 1 . 2 . 901 . 1 1 27 CYS SG S -8.136 -2.562 4.079 . . . 1.0 . . . . . . . . . . . . A . 27 CYS SG . . . . . . . . . c30498_6e5j 1 . 2 . 902 . 1 1 28 NH2 HN1 H -12.421 -0.304 2.178 . . . 1.0 . . . . . . . . . . . . A . 28 NH2 HN1 . . . . . . . . . c30498_6e5j 1 . 2 . 903 . 1 1 28 NH2 HN2 H -13.743 -0.396 3.286 . . . 1.0 . . . . . . . . . . . . A . 28 NH2 HN2 . . . . . . . . . c30498_6e5j 1 . 2 . 904 . 1 1 28 NH2 N N -12.798 -0.509 3.062 . . . 1.0 . . . . . . . . . . . . A . 28 NH2 N . . . . . . . . . c30498_6e5j 1 . 3 . 905 . 1 1 1 ASN C C 11.327 -5.309 -1.197 . . . 1.0 . . . . . . . . . . . . A . 1 ASN C . . . . . . . . . c30498_6e5j 1 . 3 . 906 . 1 1 1 ASN CA C 12.391 -6.070 -0.422 . . . 1.0 . . . . . . . . . . . . A . 1 ASN CA . . . . . . . . . c30498_6e5j 1 . 3 . 907 . 1 1 1 ASN CB C 12.049 -6.080 1.073 . . . 1.0 . . . . . . . . . . . . A . 1 ASN CB . . . . . . . . . c30498_6e5j 1 . 3 . 908 . 1 1 1 ASN CG C 13.088 -6.808 1.910 . . . 1.0 . . . . . . . . . . . . A . 1 ASN CG . . . . . . . . . c30498_6e5j 1 . 3 . 909 . 1 1 1 ASN H1 H 14.446 -5.948 -0.113 . . . 1.0 . . . . . . . . . . . . A . 1 ASN H1 . . . . . . . . . c30498_6e5j 1 . 3 . 910 . 1 1 1 ASN H2 H 13.694 -4.449 -0.342 . . . 1.0 . . . . . . . . . . . . A . 1 ASN H2 . . . . . . . . . c30498_6e5j 1 . 3 . 911 . 1 1 1 ASN H3 H 13.953 -5.473 -1.660 . . . 1.0 . . . . . . . . . . . . A . 1 ASN H3 . . . . . . . . . c30498_6e5j 1 . 3 . 912 . 1 1 1 ASN HA H 12.432 -7.086 -0.786 . . . 1.0 . . . . . . . . . . . . A . 1 ASN HA . . . . . . . . . c30498_6e5j 1 . 3 . 913 . 1 1 1 ASN HB2 H 11.983 -5.061 1.426 . . . 1.0 . . . . . . . . . . . . A . 1 ASN HB2 . . . . . . . . . c30498_6e5j 1 . 3 . 914 . 1 1 1 ASN HB3 H 11.095 -6.566 1.214 . . . 1.0 . . . . . . . . . . . . A . 1 ASN HB3 . . . . . . . . . c30498_6e5j 1 . 3 . 915 . 1 1 1 ASN HD21 H 11.694 -7.351 3.217 . . . 1.0 . . . . . . . . . . . . A . 1 ASN HD21 . . . . . . . . . c30498_6e5j 1 . 3 . 916 . 1 1 1 ASN HD22 H 13.304 -7.876 3.567 . . . 1.0 . . . . . . . . . . . . A . 1 ASN HD22 . . . . . . . . . c30498_6e5j 1 . 3 . 917 . 1 1 1 ASN N N 13.712 -5.442 -0.649 . . . 1.0 . . . . . . . . . . . . A . 1 ASN N . . . . . . . . . c30498_6e5j 1 . 3 . 918 . 1 1 1 ASN ND2 N 12.651 -7.407 3.005 . . . 1.0 . . . . . . . . . . . . A . 1 ASN ND2 . . . . . . . . . c30498_6e5j 1 . 3 . 919 . 1 1 1 ASN O O 11.387 -4.086 -1.301 . . . 1.0 . . . . . . . . . . . . A . 1 ASN O . . . . . . . . . c30498_6e5j 1 . 3 . 920 . 1 1 1 ASN OD1 O 14.273 -6.833 1.576 . . . 1.0 . . . . . . . . . . . . A . 1 ASN OD1 . . . . . . . . . c30498_6e5j 1 . 3 . 921 . 1 1 2 ASP C C 8.080 -5.040 -1.852 . . . 1.0 . . . . . . . . . . . . A . 2 ASP C . . . . . . . . . c30498_6e5j 1 . 3 . 922 . 1 1 2 ASP CA C 9.343 -5.423 -2.609 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CA . . . . . . . . . c30498_6e5j 1 . 3 . 923 . 1 1 2 ASP CB C 8.974 -6.370 -3.755 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CB . . . . . . . . . c30498_6e5j 1 . 3 . 924 . 1 1 2 ASP CG C 10.004 -6.384 -4.863 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CG . . . . . . . . . c30498_6e5j 1 . 3 . 925 . 1 1 2 ASP H H 10.295 -6.990 -1.540 . . . 1.0 . . . . . . . . . . . . A . 2 ASP H . . . . . . . . . c30498_6e5j 1 . 3 . 926 . 1 1 2 ASP HA H 9.773 -4.527 -3.029 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HA . . . . . . . . . c30498_6e5j 1 . 3 . 927 . 1 1 2 ASP HB2 H 8.879 -7.374 -3.368 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HB2 . . . . . . . . . c30498_6e5j 1 . 3 . 928 . 1 1 2 ASP HB3 H 8.028 -6.062 -4.172 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HB3 . . . . . . . . . c30498_6e5j 1 . 3 . 929 . 1 1 2 ASP N N 10.348 -6.028 -1.736 . . . 1.0 . . . . . . . . . . . . A . 2 ASP N . . . . . . . . . c30498_6e5j 1 . 3 . 930 . 1 1 2 ASP O O 6.970 -5.201 -2.364 . . . 1.0 . . . . . . . . . . . . A . 2 ASP O . . . . . . . . . c30498_6e5j 1 . 3 . 931 . 1 1 2 ASP OD1 O 9.975 -5.479 -5.722 . . . 1.0 . . . . . . . . . . . . A . 2 ASP OD1 . . . . . . . . . c30498_6e5j 1 . 3 . 932 . 1 1 2 ASP OD2 O 10.859 -7.294 -4.876 . . . 1.0 . . . . . . . . . . . . A . 2 ASP OD2 . . . . . . . . . c30498_6e5j 1 . 3 . 933 . 1 1 3 B3K C C 5.456 -2.345 -0.633 . . . 1.0 . . . . . . . . . . . . A . 3 B3K C . . . . . . . . . c30498_6e5j 1 . 3 . 934 . 1 1 3 B3K CA C 6.809 -2.613 -0.019 . . . 1.0 . . . . . . . . . . . . A . 3 B3K CA . . . . . . . . . c30498_6e5j 1 . 3 . 935 . 1 1 3 B3K CB C 7.078 -4.107 0.125 . . . 1.0 . . . . . . . . . . . . A . 3 B3K CB . . . . . . . . . c30498_6e5j 1 . 3 . 936 . 1 1 3 B3K CD C 7.408 -5.905 1.913 . . . 1.0 . . . . . . . . . . . . A . 3 B3K CD . . . . . . . . . c30498_6e5j 1 . 3 . 937 . 1 1 3 B3K CE C 7.416 -6.172 3.410 . . . 1.0 . . . . . . . . . . . . A . 3 B3K CE . . . . . . . . . c30498_6e5j 1 . 3 . 938 . 1 1 3 B3K CF C 7.539 -7.657 3.710 . . . 1.0 . . . . . . . . . . . . A . 3 B3K CF . . . . . . . . . c30498_6e5j 1 . 3 . 939 . 1 1 3 B3K CG C 7.273 -4.420 1.612 . . . 1.0 . . . . . . . . . . . . A . 3 B3K CG . . . . . . . . . c30498_6e5j 1 . 3 . 940 . 1 1 3 B3K H H 9.134 -4.371 -0.293 . . . 1.0 . . . . . . . . . . . . A . 3 B3K H . . . . . . . . . c30498_6e5j 1 . 3 . 941 . 1 1 3 B3K HA1 H 6.840 -2.154 0.958 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HA1 . . . . . . . . . c30498_6e5j 1 . 3 . 942 . 1 1 3 B3K HA2 H 7.567 -2.169 -0.649 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HA2 . . . . . . . . . c30498_6e5j 1 . 3 . 943 . 1 1 3 B3K HB H 6.227 -4.661 -0.281 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HB . . . . . . . . . c30498_6e5j 1 . 3 . 944 . 1 1 3 B3K HD2 H 8.331 -6.267 1.485 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HD2 . . . . . . . . . c30498_6e5j 1 . 3 . 945 . 1 1 3 B3K HD3 H 6.574 -6.427 1.469 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HD3 . . . . . . . . . c30498_6e5j 1 . 3 . 946 . 1 1 3 B3K HE2 H 6.497 -5.802 3.838 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HE2 . . . . . . . . . c30498_6e5j 1 . 3 . 947 . 1 1 3 B3K HE3 H 8.255 -5.655 3.853 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HE3 . . . . . . . . . c30498_6e5j 1 . 3 . 948 . 1 1 3 B3K HF1 H 8.486 -8.010 3.330 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HF1 . . . . . . . . . c30498_6e5j 1 . 3 . 949 . 1 1 3 B3K HF2 H 6.737 -8.179 3.212 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HF2 . . . . . . . . . c30498_6e5j 1 . 3 . 950 . 1 1 3 B3K HG2 H 6.425 -4.039 2.161 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HG2 . . . . . . . . . c30498_6e5j 1 . 3 . 951 . 1 1 3 B3K HG3 H 8.166 -3.923 1.959 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HG3 . . . . . . . . . c30498_6e5j 1 . 3 . 952 . 1 1 3 B3K HNZ1 H 6.540 -7.655 5.545 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HNZ1 . . . . . . . . . c30498_6e5j 1 . 3 . 953 . 1 1 3 B3K HNZ2 H 8.207 -7.410 5.675 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HNZ2 . . . . . . . . . c30498_6e5j 1 . 3 . 954 . 1 1 3 B3K N N 8.234 -4.508 -0.650 . . . 1.0 . . . . . . . . . . . . A . 3 B3K N . . . . . . . . . c30498_6e5j 1 . 3 . 955 . 1 1 3 B3K NZ N 7.467 -7.937 5.168 . . . 1.0 . . . . . . . . . . . . A . 3 B3K NZ . . . . . . . . . c30498_6e5j 1 . 3 . 956 . 1 1 3 B3K O O 4.413 -2.652 -0.043 . . . 1.0 . . . . . . . . . . . . A . 3 B3K O . . . . . . . . . c30498_6e5j 1 . 3 . 957 . 1 1 4 CYS C C 3.631 -2.834 -3.039 . . . 1.0 . . . . . . . . . . . . A . 4 CYS C . . . . . . . . . c30498_6e5j 1 . 3 . 958 . 1 1 4 CYS CA C 4.247 -1.525 -2.567 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CA . . . . . . . . . c30498_6e5j 1 . 3 . 959 . 1 1 4 CYS CB C 4.511 -0.611 -3.769 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CB . . . . . . . . . c30498_6e5j 1 . 3 . 960 . 1 1 4 CYS H H 6.333 -1.556 -2.252 . . . 1.0 . . . . . . . . . . . . A . 4 CYS H . . . . . . . . . c30498_6e5j 1 . 3 . 961 . 1 1 4 CYS HA H 3.558 -1.039 -1.894 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HA . . . . . . . . . c30498_6e5j 1 . 3 . 962 . 1 1 4 CYS HB2 H 5.105 -1.145 -4.495 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB2 . . . . . . . . . c30498_6e5j 1 . 3 . 963 . 1 1 4 CYS HB3 H 3.566 -0.343 -4.216 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB3 . . . . . . . . . c30498_6e5j 1 . 3 . 964 . 1 1 4 CYS N N 5.472 -1.790 -1.839 . . . 1.0 . . . . . . . . . . . . A . 4 CYS N . . . . . . . . . c30498_6e5j 1 . 3 . 965 . 1 1 4 CYS O O 2.443 -3.073 -2.829 . . . 1.0 . . . . . . . . . . . . A . 4 CYS O . . . . . . . . . c30498_6e5j 1 . 3 . 966 . 1 1 4 CYS SG S 5.390 0.934 -3.368 . . . 1.0 . . . . . . . . . . . . A . 4 CYS SG . . . . . . . . . c30498_6e5j 1 . 3 . 967 . 1 1 5 LYS C C 3.419 -5.839 -3.095 . . . 1.0 . . . . . . . . . . . . A . 5 LYS C . . . . . . . . . c30498_6e5j 1 . 3 . 968 . 1 1 5 LYS CA C 3.976 -4.956 -4.198 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CA . . . . . . . . . c30498_6e5j 1 . 3 . 969 . 1 1 5 LYS CB C 5.095 -5.704 -4.929 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CB . . . . . . . . . c30498_6e5j 1 . 3 . 970 . 1 1 5 LYS CD C 6.693 -5.793 -6.854 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CD . . . . . . . . . c30498_6e5j 1 . 3 . 971 . 1 1 5 LYS CE C 7.443 -5.000 -7.911 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CE . . . . . . . . . c30498_6e5j 1 . 3 . 972 . 1 1 5 LYS CG C 5.741 -4.916 -6.055 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CG . . . . . . . . . c30498_6e5j 1 . 3 . 973 . 1 1 5 LYS H H 5.407 -3.472 -3.721 . . . 1.0 . . . . . . . . . . . . A . 5 LYS H . . . . . . . . . c30498_6e5j 1 . 3 . 974 . 1 1 5 LYS HA H 3.185 -4.736 -4.900 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HA . . . . . . . . . c30498_6e5j 1 . 3 . 975 . 1 1 5 LYS HB2 H 5.863 -5.961 -4.217 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HB2 . . . . . . . . . c30498_6e5j 1 . 3 . 976 . 1 1 5 LYS HB3 H 4.688 -6.612 -5.346 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HB3 . . . . . . . . . c30498_6e5j 1 . 3 . 977 . 1 1 5 LYS HD2 H 7.409 -6.236 -6.180 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HD2 . . . . . . . . . c30498_6e5j 1 . 3 . 978 . 1 1 5 LYS HD3 H 6.125 -6.573 -7.340 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HD3 . . . . . . . . . c30498_6e5j 1 . 3 . 979 . 1 1 5 LYS HE2 H 8.012 -5.686 -8.521 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HE2 . . . . . . . . . c30498_6e5j 1 . 3 . 980 . 1 1 5 LYS HE3 H 6.726 -4.480 -8.527 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HE3 . . . . . . . . . c30498_6e5j 1 . 3 . 981 . 1 1 5 LYS HG2 H 4.970 -4.541 -6.713 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HG2 . . . . . . . . . c30498_6e5j 1 . 3 . 982 . 1 1 5 LYS HG3 H 6.294 -4.089 -5.634 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HG3 . . . . . . . . . c30498_6e5j 1 . 3 . 983 . 1 1 5 LYS HZ1 H 7.839 -3.330 -6.726 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ1 . . . . . . . . . c30498_6e5j 1 . 3 . 984 . 1 1 5 LYS HZ2 H 8.874 -3.489 -8.050 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ2 . . . . . . . . . c30498_6e5j 1 . 3 . 985 . 1 1 5 LYS HZ3 H 9.070 -4.496 -6.698 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ3 . . . . . . . . . c30498_6e5j 1 . 3 . 986 . 1 1 5 LYS N N 4.455 -3.691 -3.651 . . . 1.0 . . . . . . . . . . . . A . 5 LYS N . . . . . . . . . c30498_6e5j 1 . 3 . 987 . 1 1 5 LYS NZ N 8.370 -4.010 -7.305 . . . 1.0 . . . . . . . . . . . . A . 5 LYS NZ . . . . . . . . . c30498_6e5j 1 . 3 . 988 . 1 1 5 LYS O O 2.221 -6.110 -3.052 . . . 1.0 . . . . . . . . . . . . A . 5 LYS O . . . . . . . . . c30498_6e5j 1 . 3 . 989 . 1 1 6 B3E C C 2.530 -5.934 0.692 . . . 1.0 . . . . . . . . . . . . A . 6 B3E C . . . . . . . . . c30498_6e5j 1 . 3 . 990 . 1 1 6 B3E CA C 3.893 -6.358 0.217 . . . 1.0 . . . . . . . . . . . . A . 6 B3E CA . . . . . . . . . c30498_6e5j 1 . 3 . 991 . 1 1 6 B3E CB C 3.862 -7.117 -1.104 . . . 1.0 . . . . . . . . . . . . A . 6 B3E CB . . . . . . . . . c30498_6e5j 1 . 3 . 992 . 1 1 6 B3E CD C 4.979 -9.114 -2.236 . . . 1.0 . . . . . . . . . . . . A . 6 B3E CD . . . . . . . . . c30498_6e5j 1 . 3 . 993 . 1 1 6 B3E CE C 6.108 -10.116 -2.149 . . . 1.0 . . . . . . . . . . . . A . 6 B3E CE . . . . . . . . . c30498_6e5j 1 . 3 . 994 . 1 1 6 B3E CG C 4.832 -8.294 -0.966 . . . 1.0 . . . . . . . . . . . . A . 6 B3E CG . . . . . . . . . c30498_6e5j 1 . 3 . 995 . 1 1 6 B3E H H 5.234 -6.017 -2.269 . . . 1.0 . . . . . . . . . . . . A . 6 B3E H . . . . . . . . . c30498_6e5j 1 . 3 . 996 . 1 1 6 B3E HA1 H 4.332 -6.993 0.971 . . . 1.0 . . . . . . . . . . . . A . 6 B3E HA1 . . . . . . . . . c30498_6e5j 1 . 3 . 997 . 1 1 6 B3E HA2 H 4.499 -5.474 0.102 . . . 1.0 . . . . . . . . . . . . A . 6 B3E HA2 . . . . . . . . . c30498_6e5j 1 . 3 . 998 . 1 1 6 B3E HB H 2.831 -7.440 -1.332 . . . 1.0 . . . . . . . . . . . . A . 6 B3E HB . . . . . . . . . c30498_6e5j 1 . 3 . 999 . 1 1 6 B3E HD2 H 5.173 -8.445 -3.062 . . . 1.0 . . . . . . . . . . . . A . 6 B3E HD2 . . . . . . . . . c30498_6e5j 1 . 3 . 1000 . 1 1 6 B3E HD3 H 4.058 -9.646 -2.414 . . . 1.0 . . . . . . . . . . . . A . 6 B3E HD3 . . . . . . . . . c30498_6e5j 1 . 3 . 1001 . 1 1 6 B3E HG2 H 4.477 -8.945 -0.182 . . . 1.0 . . . . . . . . . . . . A . 6 B3E HG2 . . . . . . . . . c30498_6e5j 1 . 3 . 1002 . 1 1 6 B3E HG3 H 5.805 -7.914 -0.692 . . . 1.0 . . . . . . . . . . . . A . 6 B3E HG3 . . . . . . . . . c30498_6e5j 1 . 3 . 1003 . 1 1 6 B3E N N 4.286 -6.276 -2.194 . . . 1.0 . . . . . . . . . . . . A . 6 B3E N . . . . . . . . . c30498_6e5j 1 . 3 . 1004 . 1 1 6 B3E O O 1.662 -6.763 1.014 . . . 1.0 . . . . . . . . . . . . A . 6 B3E O . . . . . . . . . c30498_6e5j 1 . 3 . 1005 . 1 1 6 B3E OF1 O 5.844 -11.294 -1.827 . . . 1.0 . . . . . . . . . . . . A . 6 B3E OF1 . . . . . . . . . c30498_6e5j 1 . 3 . 1006 . 1 1 6 B3E OF2 O 7.266 -9.731 -2.410 . . . 1.0 . . . . . . . . . . . . A . 6 B3E OF2 . . . . . . . . . c30498_6e5j 1 . 3 . 1007 . 1 1 7 LEU C C -0.036 -4.262 0.191 . . . 1.0 . . . . . . . . . . . . A . 7 LEU C . . . . . . . . . c30498_6e5j 1 . 3 . 1008 . 1 1 7 LEU CA C 1.084 -4.063 1.203 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CA . . . . . . . . . c30498_6e5j 1 . 3 . 1009 . 1 1 7 LEU CB C 1.255 -2.584 1.547 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CB . . . . . . . . . c30498_6e5j 1 . 3 . 1010 . 1 1 7 LEU CD1 C 2.321 -0.811 2.962 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CD1 . . . . . . . . . c30498_6e5j 1 . 3 . 1011 . 1 1 7 LEU CD2 C 1.889 -3.065 3.938 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CD2 . . . . . . . . . c30498_6e5j 1 . 3 . 1012 . 1 1 7 LEU CG C 2.256 -2.298 2.674 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CG . . . . . . . . . c30498_6e5j 1 . 3 . 1013 . 1 1 7 LEU H H 3.041 -4.014 0.411 . . . 1.0 . . . . . . . . . . . . A . 7 LEU H . . . . . . . . . c30498_6e5j 1 . 3 . 1014 . 1 1 7 LEU HA H 0.819 -4.596 2.102 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HA . . . . . . . . . c30498_6e5j 1 . 3 . 1015 . 1 1 7 LEU HB2 H 1.584 -2.064 0.660 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HB2 . . . . . . . . . c30498_6e5j 1 . 3 . 1016 . 1 1 7 LEU HB3 H 0.295 -2.190 1.841 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HB3 . . . . . . . . . c30498_6e5j 1 . 3 . 1017 . 1 1 7 LEU HD11 H 2.666 -0.290 2.082 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD11 . . . . . . . . . c30498_6e5j 1 . 3 . 1018 . 1 1 7 LEU HD12 H 3.004 -0.633 3.779 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD12 . . . . . . . . . c30498_6e5j 1 . 3 . 1019 . 1 1 7 LEU HD13 H 1.337 -0.454 3.231 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD13 . . . . . . . . . c30498_6e5j 1 . 3 . 1020 . 1 1 7 LEU HD21 H 0.872 -2.833 4.218 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD21 . . . . . . . . . c30498_6e5j 1 . 3 . 1021 . 1 1 7 LEU HD22 H 2.556 -2.778 4.737 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD22 . . . . . . . . . c30498_6e5j 1 . 3 . 1022 . 1 1 7 LEU HD23 H 1.980 -4.126 3.756 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD23 . . . . . . . . . c30498_6e5j 1 . 3 . 1023 . 1 1 7 LEU HG H 3.238 -2.619 2.361 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HG . . . . . . . . . c30498_6e5j 1 . 3 . 1024 . 1 1 7 LEU N N 2.328 -4.622 0.722 . . . 1.0 . . . . . . . . . . . . A . 7 LEU N . . . . . . . . . c30498_6e5j 1 . 3 . 1025 . 1 1 7 LEU O O -1.154 -4.586 0.582 . . . 1.0 . . . . . . . . . . . . A . 7 LEU O . . . . . . . . . c30498_6e5j 1 . 3 . 1026 . 1 1 8 LYS C C -1.290 -5.750 -2.012 . . . 1.0 . . . . . . . . . . . . A . 8 LYS C . . . . . . . . . c30498_6e5j 1 . 3 . 1027 . 1 1 8 LYS CA C -0.756 -4.330 -2.131 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CA . . . . . . . . . c30498_6e5j 1 . 3 . 1028 . 1 1 8 LYS CB C -0.207 -4.081 -3.541 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CB . . . . . . . . . c30498_6e5j 1 . 3 . 1029 . 1 1 8 LYS CD C -2.500 -3.622 -4.482 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CD . . . . . . . . . c30498_6e5j 1 . 3 . 1030 . 1 1 8 LYS CE C -3.492 -3.933 -5.593 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CE . . . . . . . . . c30498_6e5j 1 . 3 . 1031 . 1 1 8 LYS CG C -1.198 -4.387 -4.657 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CG . . . . . . . . . c30498_6e5j 1 . 3 . 1032 . 1 1 8 LYS H H 1.159 -3.811 -1.372 . . . 1.0 . . . . . . . . . . . . A . 8 LYS H . . . . . . . . . c30498_6e5j 1 . 3 . 1033 . 1 1 8 LYS HA H -1.568 -3.644 -1.946 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HA . . . . . . . . . c30498_6e5j 1 . 3 . 1034 . 1 1 8 LYS HB2 H 0.085 -3.044 -3.623 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB2 . . . . . . . . . c30498_6e5j 1 . 3 . 1035 . 1 1 8 LYS HB3 H 0.667 -4.700 -3.687 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB3 . . . . . . . . . c30498_6e5j 1 . 3 . 1036 . 1 1 8 LYS HD2 H -2.941 -3.895 -3.536 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD2 . . . . . . . . . c30498_6e5j 1 . 3 . 1037 . 1 1 8 LYS HD3 H -2.287 -2.563 -4.490 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD3 . . . . . . . . . c30498_6e5j 1 . 3 . 1038 . 1 1 8 LYS HE2 H -3.619 -5.003 -5.654 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE2 . . . . . . . . . c30498_6e5j 1 . 3 . 1039 . 1 1 8 LYS HE3 H -4.438 -3.473 -5.350 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE3 . . . . . . . . . c30498_6e5j 1 . 3 . 1040 . 1 1 8 LYS HG2 H -0.756 -4.109 -5.603 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG2 . . . . . . . . . c30498_6e5j 1 . 3 . 1041 . 1 1 8 LYS HG3 H -1.410 -5.446 -4.655 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG3 . . . . . . . . . c30498_6e5j 1 . 3 . 1042 . 1 1 8 LYS HZ1 H -2.105 -3.833 -7.149 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ1 . . . . . . . . . c30498_6e5j 1 . 3 . 1043 . 1 1 8 LYS HZ2 H -2.946 -2.392 -6.889 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ2 . . . . . . . . . c30498_6e5j 1 . 3 . 1044 . 1 1 8 LYS HZ3 H -3.711 -3.689 -7.654 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ3 . . . . . . . . . c30498_6e5j 1 . 3 . 1045 . 1 1 8 LYS N N 0.256 -4.094 -1.105 . . . 1.0 . . . . . . . . . . . . A . 8 LYS N . . . . . . . . . c30498_6e5j 1 . 3 . 1046 . 1 1 8 LYS NZ N -3.030 -3.427 -6.912 . . . 1.0 . . . . . . . . . . . . A . 8 LYS NZ . . . . . . . . . c30498_6e5j 1 . 3 . 1047 . 1 1 8 LYS O O -2.439 -5.951 -1.639 . . . 1.0 . . . . . . . . . . . . A . 8 LYS O . . . . . . . . . c30498_6e5j 1 . 3 . 1048 . 1 1 9 B3K C C -1.268 -8.897 0.176 . . . 1.0 . . . . . . . . . . . . A . 9 B3K C . . . . . . . . . c30498_6e5j 1 . 3 . 1049 . 1 1 9 B3K CA C -0.272 -8.755 -0.944 . . . 1.0 . . . . . . . . . . . . A . 9 B3K CA . . . . . . . . . c30498_6e5j 1 . 3 . 1050 . 1 1 9 B3K CB C -0.870 -8.103 -2.189 . . . 1.0 . . . . . . . . . . . . A . 9 B3K CB . . . . . . . . . c30498_6e5j 1 . 3 . 1051 . 1 1 9 B3K CD C 1.129 -8.990 -3.533 . . . 1.0 . . . . . . . . . . . . A . 9 B3K CD . . . . . . . . . c30498_6e5j 1 . 3 . 1052 . 1 1 9 B3K CE C 1.553 -9.683 -4.818 . . . 1.0 . . . . . . . . . . . . A . 9 B3K CE . . . . . . . . . c30498_6e5j 1 . 3 . 1053 . 1 1 9 B3K CF C 1.013 -11.102 -4.901 . . . 1.0 . . . . . . . . . . . . A . 9 B3K CF . . . . . . . . . c30498_6e5j 1 . 3 . 1054 . 1 1 9 B3K CG C -0.387 -8.900 -3.412 . . . 1.0 . . . . . . . . . . . . A . 9 B3K CG . . . . . . . . . c30498_6e5j 1 . 3 . 1055 . 1 1 9 B3K H H 0.467 -6.521 -2.585 . . . 1.0 . . . . . . . . . . . . A . 9 B3K H . . . . . . . . . c30498_6e5j 1 . 3 . 1056 . 1 1 9 B3K HA1 H 0.088 -9.738 -1.203 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HA1 . . . . . . . . . c30498_6e5j 1 . 3 . 1057 . 1 1 9 B3K HA2 H 0.554 -8.155 -0.590 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HA2 . . . . . . . . . c30498_6e5j 1 . 3 . 1058 . 1 1 9 B3K HB H -1.971 -8.086 -2.106 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HB . . . . . . . . . c30498_6e5j 1 . 3 . 1059 . 1 1 9 B3K HD2 H 1.514 -9.546 -2.691 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HD2 . . . . . . . . . c30498_6e5j 1 . 3 . 1060 . 1 1 9 B3K HD3 H 1.540 -7.991 -3.523 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HD3 . . . . . . . . . c30498_6e5j 1 . 3 . 1061 . 1 1 9 B3K HE2 H 2.632 -9.715 -4.858 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HE2 . . . . . . . . . c30498_6e5j 1 . 3 . 1062 . 1 1 9 B3K HE3 H 1.179 -9.119 -5.657 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HE3 . . . . . . . . . c30498_6e5j 1 . 3 . 1063 . 1 1 9 B3K HF1 H -0.066 -11.066 -4.864 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HF1 . . . . . . . . . c30498_6e5j 1 . 3 . 1064 . 1 1 9 B3K HF2 H 1.383 -11.665 -4.057 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HF2 . . . . . . . . . c30498_6e5j 1 . 3 . 1065 . 1 1 9 B3K HG2 H -0.770 -8.429 -4.305 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HG2 . . . . . . . . . c30498_6e5j 1 . 3 . 1066 . 1 1 9 B3K HG3 H -0.780 -9.903 -3.349 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HG3 . . . . . . . . . c30498_6e5j 1 . 3 . 1067 . 1 1 9 B3K HNZ1 H 1.029 -12.734 -6.199 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HNZ1 . . . . . . . . . c30498_6e5j 1 . 3 . 1068 . 1 1 9 B3K HNZ2 H 2.468 -11.851 -6.196 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HNZ2 . . . . . . . . . c30498_6e5j 1 . 3 . 1069 . 1 1 9 B3K N N -0.451 -6.733 -2.300 . . . 1.0 . . . . . . . . . . . . A . 9 B3K N . . . . . . . . . c30498_6e5j 1 . 3 . 1070 . 1 1 9 B3K NZ N 1.432 -11.777 -6.154 . . . 1.0 . . . . . . . . . . . . A . 9 B3K NZ . . . . . . . . . c30498_6e5j 1 . 3 . 1071 . 1 1 9 B3K O O -2.096 -9.810 0.187 . . . 1.0 . . . . . . . . . . . . A . 9 B3K O . . . . . . . . . c30498_6e5j 1 . 3 . 1072 . 1 1 10 ARG C C -3.425 -7.306 1.934 . . . 1.0 . . . . . . . . . . . . A . 10 ARG C . . . . . . . . . c30498_6e5j 1 . 3 . 1073 . 1 1 10 ARG CA C -2.092 -7.971 2.273 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CA . . . . . . . . . c30498_6e5j 1 . 3 . 1074 . 1 1 10 ARG CB C -1.447 -7.254 3.464 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CB . . . . . . . . . c30498_6e5j 1 . 3 . 1075 . 1 1 10 ARG CD C 0.345 -7.227 5.224 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CD . . . . . . . . . c30498_6e5j 1 . 3 . 1076 . 1 1 10 ARG CG C -0.222 -7.961 4.021 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CG . . . . . . . . . c30498_6e5j 1 . 3 . 1077 . 1 1 10 ARG CZ C 2.297 -7.411 6.724 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CZ . . . . . . . . . c30498_6e5j 1 . 3 . 1078 . 1 1 10 ARG H H -0.491 -7.278 1.063 . . . 1.0 . . . . . . . . . . . . A . 10 ARG H . . . . . . . . . c30498_6e5j 1 . 3 . 1079 . 1 1 10 ARG HA H -2.280 -8.997 2.544 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HA . . . . . . . . . c30498_6e5j 1 . 3 . 1080 . 1 1 10 ARG HB2 H -1.152 -6.262 3.154 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HB2 . . . . . . . . . c30498_6e5j 1 . 3 . 1081 . 1 1 10 ARG HB3 H -2.175 -7.171 4.253 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HB3 . . . . . . . . . c30498_6e5j 1 . 3 . 1082 . 1 1 10 ARG HD2 H 0.659 -6.240 4.914 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HD2 . . . . . . . . . c30498_6e5j 1 . 3 . 1083 . 1 1 10 ARG HD3 H -0.428 -7.138 5.973 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HD3 . . . . . . . . . c30498_6e5j 1 . 3 . 1084 . 1 1 10 ARG HE H 1.665 -8.844 5.476 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HE . . . . . . . . . c30498_6e5j 1 . 3 . 1085 . 1 1 10 ARG HG2 H -0.499 -8.960 4.321 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HG2 . . . . . . . . . c30498_6e5j 1 . 3 . 1086 . 1 1 10 ARG HG3 H 0.535 -8.011 3.253 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HG3 . . . . . . . . . c30498_6e5j 1 . 3 . 1087 . 1 1 10 ARG HH11 H 2.704 -5.794 7.873 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH11 . . . . . . . . . c30498_6e5j 1 . 3 . 1088 . 1 1 10 ARG HH12 H 1.327 -5.633 6.833 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH12 . . . . . . . . . c30498_6e5j 1 . 3 . 1089 . 1 1 10 ARG HH21 H 3.926 -7.739 7.882 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH21 . . . . . . . . . c30498_6e5j 1 . 3 . 1090 . 1 1 10 ARG HH22 H 3.481 -9.053 6.842 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH22 . . . . . . . . . c30498_6e5j 1 . 3 . 1091 . 1 1 10 ARG N N -1.188 -7.974 1.129 . . . 1.0 . . . . . . . . . . . . A . 10 ARG N . . . . . . . . . c30498_6e5j 1 . 3 . 1092 . 1 1 10 ARG NE N 1.488 -7.930 5.801 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NE . . . . . . . . . c30498_6e5j 1 . 3 . 1093 . 1 1 10 ARG NH1 N 2.091 -6.181 7.180 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NH1 . . . . . . . . . c30498_6e5j 1 . 3 . 1094 . 1 1 10 ARG NH2 N 3.314 -8.125 7.188 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NH2 . . . . . . . . . c30498_6e5j 1 . 3 . 1095 . 1 1 10 ARG O O -4.491 -7.868 2.193 . . . 1.0 . . . . . . . . . . . . A . 10 ARG O . . . . . . . . . c30498_6e5j 1 . 3 . 1096 . 1 1 11 TYR C C -5.187 -5.636 -0.262 . . . 1.0 . . . . . . . . . . . . A . 11 TYR C . . . . . . . . . c30498_6e5j 1 . 3 . 1097 . 1 1 11 TYR CA C -4.542 -5.309 1.085 . . . 1.0 . . . . . . . . . . . . A . 11 TYR CA . . . . . . . . . c30498_6e5j 1 . 3 . 1098 . 1 1 11 TYR CB C -4.168 -3.828 1.129 . . . 1.0 . . . . . . . . . . . . A . 11 TYR CB . . . . . . . . . c30498_6e5j 1 . 3 . 1099 . 1 1 11 TYR CD1 C -4.554 -3.357 3.581 . . . 1.0 . . . . . . . . . . . . A . 11 TYR CD1 . . . . . . . . . c30498_6e5j 1 . 3 . 1100 . 1 1 11 TYR CD2 C -2.422 -2.838 2.656 . . . 1.0 . . . . . . . . . . . . A . 11 TYR CD2 . . . . . . . . . c30498_6e5j 1 . 3 . 1101 . 1 1 11 TYR CE1 C -4.139 -2.887 4.812 . . . 1.0 . . . . . . . . . . . . A . 11 TYR CE1 . . . . . . . . . c30498_6e5j 1 . 3 . 1102 . 1 1 11 TYR CE2 C -1.997 -2.373 3.883 . . . 1.0 . . . . . . . . . . . . A . 11 TYR CE2 . . . . . . . . . c30498_6e5j 1 . 3 . 1103 . 1 1 11 TYR CG C -3.705 -3.339 2.483 . . . 1.0 . . . . . . . . . . . . A . 11 TYR CG . . . . . . . . . c30498_6e5j 1 . 3 . 1104 . 1 1 11 TYR CZ C -2.859 -2.398 4.957 . . . 1.0 . . . . . . . . . . . . A . 11 TYR CZ . . . . . . . . . c30498_6e5j 1 . 3 . 1105 . 1 1 11 TYR H H -2.486 -5.799 1.018 . . . 1.0 . . . . . . . . . . . . A . 11 TYR H . . . . . . . . . c30498_6e5j 1 . 3 . 1106 . 1 1 11 TYR HA H -5.251 -5.514 1.872 . . . 1.0 . . . . . . . . . . . . A . 11 TYR HA . . . . . . . . . c30498_6e5j 1 . 3 . 1107 . 1 1 11 TYR HB2 H -3.369 -3.649 0.427 . . . 1.0 . . . . . . . . . . . . A . 11 TYR HB2 . . . . . . . . . c30498_6e5j 1 . 3 . 1108 . 1 1 11 TYR HB3 H -5.024 -3.242 0.840 . . . 1.0 . . . . . . . . . . . . A . 11 TYR HB3 . . . . . . . . . c30498_6e5j 1 . 3 . 1109 . 1 1 11 TYR HD1 H -5.554 -3.745 3.464 . . . 1.0 . . . . . . . . . . . . A . 11 TYR HD1 . . . . . . . . . c30498_6e5j 1 . 3 . 1110 . 1 1 11 TYR HD2 H -1.748 -2.819 1.812 . . . 1.0 . . . . . . . . . . . . A . 11 TYR HD2 . . . . . . . . . c30498_6e5j 1 . 3 . 1111 . 1 1 11 TYR HE1 H -4.814 -2.909 5.654 . . . 1.0 . . . . . . . . . . . . A . 11 TYR HE1 . . . . . . . . . c30498_6e5j 1 . 3 . 1112 . 1 1 11 TYR HE2 H -0.995 -1.989 3.997 . . . 1.0 . . . . . . . . . . . . A . 11 TYR HE2 . . . . . . . . . c30498_6e5j 1 . 3 . 1113 . 1 1 11 TYR HH H -1.939 -1.109 6.051 . . . 1.0 . . . . . . . . . . . . A . 11 TYR HH . . . . . . . . . c30498_6e5j 1 . 3 . 1114 . 1 1 11 TYR N N -3.358 -6.128 1.328 . . . 1.0 . . . . . . . . . . . . A . 11 TYR N . . . . . . . . . c30498_6e5j 1 . 3 . 1115 . 1 1 11 TYR O O -5.704 -4.748 -0.945 . . . 1.0 . . . . . . . . . . . . A . 11 TYR O . . . . . . . . . c30498_6e5j 1 . 3 . 1116 . 1 1 11 TYR OH O -2.438 -1.926 6.181 . . . 1.0 . . . . . . . . . . . . A . 11 TYR OH . . . . . . . . . c30498_6e5j 1 . 3 . 1117 . 1 1 12 ABA C C -7.180 -6.918 -2.065 . . . 1.0 . . . . . . . . . . . . A . 12 AIB C . . . . . . . . . c30498_6e5j 1 . 3 . 1118 . 1 1 12 ABA CA C -5.740 -7.414 -1.879 . . . 1.0 . . . . . . . . . . . . A . 12 AIB CA . . . . . . . . . c30498_6e5j 1 . 3 . 1119 . 1 1 12 ABA H H -4.772 -7.564 0.005 . . . 1.0 . . . . . . . . . . . . A . 12 AIB H . . . . . . . . . c30498_6e5j 1 . 3 . 1120 . 1 1 12 ABA N N -5.178 -6.920 -0.611 . . . 1.0 . . . . . . . . . . . . A . 12 AIB N . . . . . . . . . c30498_6e5j 1 . 3 . 1121 . 1 1 12 ABA O O -7.586 -6.564 -3.174 . . . 1.0 . . . . . . . . . . . . A . 12 AIB O . . . . . . . . . c30498_6e5j 1 . 3 . 1122 . 1 1 13 GLY C C -9.579 -5.059 -0.679 . . . 1.0 . . . . . . . . . . . . A . 13 GLY C . . . . . . . . . c30498_6e5j 1 . 3 . 1123 . 1 1 13 GLY CA C -9.336 -6.499 -1.079 . . . 1.0 . . . . . . . . . . . . A . 13 GLY CA . . . . . . . . . c30498_6e5j 1 . 3 . 1124 . 1 1 13 GLY H H -7.561 -7.131 -0.114 . . . 1.0 . . . . . . . . . . . . A . 13 GLY H . . . . . . . . . c30498_6e5j 1 . 3 . 1125 . 1 1 13 GLY HA2 H -9.664 -6.637 -2.097 . . . 1.0 . . . . . . . . . . . . A . 13 GLY HA2 . . . . . . . . . c30498_6e5j 1 . 3 . 1126 . 1 1 13 GLY HA3 H -9.918 -7.141 -0.437 . . . 1.0 . . . . . . . . . . . . A . 13 GLY HA3 . . . . . . . . . c30498_6e5j 1 . 3 . 1127 . 1 1 13 GLY N N -7.944 -6.888 -0.984 . . . 1.0 . . . . . . . . . . . . A . 13 GLY N . . . . . . . . . c30498_6e5j 1 . 3 . 1128 . 1 1 13 GLY O O -10.720 -4.665 -0.437 . . . 1.0 . . . . . . . . . . . . A . 13 GLY O . . . . . . . . . c30498_6e5j 1 . 3 . 1129 . 1 1 14 CYS C C -8.028 -1.980 -1.317 . . . 1.0 . . . . . . . . . . . . A . 14 CYS C . . . . . . . . . c30498_6e5j 1 . 3 . 1130 . 1 1 14 CYS CA C -8.635 -2.868 -0.241 . . . 1.0 . . . . . . . . . . . . A . 14 CYS CA . . . . . . . . . c30498_6e5j 1 . 3 . 1131 . 1 1 14 CYS CB C -7.928 -2.607 1.089 . . . 1.0 . . . . . . . . . . . . A . 14 CYS CB . . . . . . . . . c30498_6e5j 1 . 3 . 1132 . 1 1 14 CYS H H -7.630 -4.639 -0.816 . . . 1.0 . . . . . . . . . . . . A . 14 CYS H . . . . . . . . . c30498_6e5j 1 . 3 . 1133 . 1 1 14 CYS HA H -9.682 -2.634 -0.139 . . . 1.0 . . . . . . . . . . . . A . 14 CYS HA . . . . . . . . . c30498_6e5j 1 . 3 . 1134 . 1 1 14 CYS HB2 H -6.880 -2.817 0.971 . . . 1.0 . . . . . . . . . . . . A . 14 CYS HB2 . . . . . . . . . c30498_6e5j 1 . 3 . 1135 . 1 1 14 CYS HB3 H -8.050 -1.567 1.353 . . . 1.0 . . . . . . . . . . . . A . 14 CYS HB3 . . . . . . . . . c30498_6e5j 1 . 3 . 1136 . 1 1 14 CYS N N -8.519 -4.272 -0.610 . . . 1.0 . . . . . . . . . . . . A . 14 CYS N . . . . . . . . . c30498_6e5j 1 . 3 . 1137 . 1 1 14 CYS O O -7.212 -2.431 -2.123 . . . 1.0 . . . . . . . . . . . . A . 14 CYS O . . . . . . . . . c30498_6e5j 1 . 3 . 1138 . 1 1 14 CYS SG S -8.536 -3.608 2.486 . . . 1.0 . . . . . . . . . . . . A . 14 CYS SG . . . . . . . . . c30498_6e5j 1 . 3 . 1139 . 1 1 15 GLU C C -6.572 0.796 -1.695 . . . 1.0 . . . . . . . . . . . . A . 15 GLU C . . . . . . . . . c30498_6e5j 1 . 3 . 1140 . 1 1 15 GLU CA C -7.880 0.251 -2.258 . . . 1.0 . . . . . . . . . . . . A . 15 GLU CA . . . . . . . . . c30498_6e5j 1 . 3 . 1141 . 1 1 15 GLU CB C -8.870 1.395 -2.485 . . . 1.0 . . . . . . . . . . . . A . 15 GLU CB . . . . . . . . . c30498_6e5j 1 . 3 . 1142 . 1 1 15 GLU CD C -9.959 0.358 -4.514 . . . 1.0 . . . . . . . . . . . . A . 15 GLU CD . . . . . . . . . c30498_6e5j 1 . 3 . 1143 . 1 1 15 GLU CG C -10.170 0.951 -3.135 . . . 1.0 . . . . . . . . . . . . A . 15 GLU CG . . . . . . . . . c30498_6e5j 1 . 3 . 1144 . 1 1 15 GLU H H -9.123 -0.430 -0.687 . . . 1.0 . . . . . . . . . . . . A . 15 GLU H . . . . . . . . . c30498_6e5j 1 . 3 . 1145 . 1 1 15 GLU HA H -7.687 -0.248 -3.194 . . . 1.0 . . . . . . . . . . . . A . 15 GLU HA . . . . . . . . . c30498_6e5j 1 . 3 . 1146 . 1 1 15 GLU HB2 H -9.106 1.848 -1.532 . . . 1.0 . . . . . . . . . . . . A . 15 GLU HB2 . . . . . . . . . c30498_6e5j 1 . 3 . 1147 . 1 1 15 GLU HB3 H -8.408 2.134 -3.120 . . . 1.0 . . . . . . . . . . . . A . 15 GLU HB3 . . . . . . . . . c30498_6e5j 1 . 3 . 1148 . 1 1 15 GLU HG2 H -10.634 0.205 -2.508 . . . 1.0 . . . . . . . . . . . . A . 15 GLU HG2 . . . . . . . . . c30498_6e5j 1 . 3 . 1149 . 1 1 15 GLU HG3 H -10.824 1.804 -3.222 . . . 1.0 . . . . . . . . . . . . A . 15 GLU HG3 . . . . . . . . . c30498_6e5j 1 . 3 . 1150 . 1 1 15 GLU N N -8.436 -0.720 -1.331 . . . 1.0 . . . . . . . . . . . . A . 15 GLU N . . . . . . . . . c30498_6e5j 1 . 3 . 1151 . 1 1 15 GLU O O -6.570 1.408 -0.631 . . . 1.0 . . . . . . . . . . . . A . 15 GLU O . . . . . . . . . c30498_6e5j 1 . 3 . 1152 . 1 1 15 GLU OE1 O -9.879 1.129 -5.492 . . . 1.0 . . . . . . . . . . . . A . 15 GLU OE1 . . . . . . . . . c30498_6e5j 1 . 3 . 1153 . 1 1 15 GLU OE2 O -9.872 -0.884 -4.628 . . . 1.0 . . . . . . . . . . . . A . 15 GLU OE2 . . . . . . . . . c30498_6e5j 1 . 3 . 1154 . 1 1 16 MVA C C -3.160 1.589 -2.809 . . . 1.0 . . . . . . . . . . . . A . 16 MVA C . . . . . . . . . c30498_6e5j 1 . 3 . 1155 . 1 1 16 MVA CA C -4.140 0.981 -1.798 . . . 1.0 . . . . . . . . . . . . A . 16 MVA CA . . . . . . . . . c30498_6e5j 1 . 3 . 1156 . 1 1 16 MVA CB C -3.470 -0.219 -1.061 . . . 1.0 . . . . . . . . . . . . A . 16 MVA CB . . . . . . . . . c30498_6e5j 1 . 3 . 1157 . 1 1 16 MVA CG1 C -3.303 -1.430 -1.960 . . . 1.0 . . . . . . . . . . . . A . 16 MVA CG1 . . . . . . . . . c30498_6e5j 1 . 3 . 1158 . 1 1 16 MVA CG2 C -2.124 0.187 -0.473 . . . 1.0 . . . . . . . . . . . . A . 16 MVA CG2 . . . . . . . . . c30498_6e5j 1 . 3 . 1159 . 1 1 16 MVA CN C -5.517 0.078 -3.771 . . . 1.0 . . . . . . . . . . . . A . 16 MVA CN . . . . . . . . . c30498_6e5j 1 . 3 . 1160 . 1 1 16 MVA HA H -4.311 1.740 -1.046 . . . 1.0 . . . . . . . . . . . . A . 16 MVA HA . . . . . . . . . c30498_6e5j 1 . 3 . 1161 . 1 1 16 MVA HB H -4.113 -0.506 -0.242 . . . 1.0 . . . . . . . . . . . . A . 16 MVA HB . . . . . . . . . c30498_6e5j 1 . 3 . 1162 . 1 1 16 MVA HG11 H -4.272 -1.761 -2.304 . . . 1.0 . . . . . . . . . . . . A . 16 MVA HG11 . . . . . . . . . c30498_6e5j 1 . 3 . 1163 . 1 1 16 MVA HG12 H -2.827 -2.223 -1.408 . . . 1.0 . . . . . . . . . . . . A . 16 MVA HG12 . . . . . . . . . c30498_6e5j 1 . 3 . 1164 . 1 1 16 MVA HG13 H -2.691 -1.165 -2.810 . . . 1.0 . . . . . . . . . . . . A . 16 MVA HG13 . . . . . . . . . c30498_6e5j 1 . 3 . 1165 . 1 1 16 MVA HG21 H -1.689 -0.654 0.046 . . . 1.0 . . . . . . . . . . . . A . 16 MVA HG21 . . . . . . . . . c30498_6e5j 1 . 3 . 1166 . 1 1 16 MVA HG22 H -2.263 1.004 0.220 . . . 1.0 . . . . . . . . . . . . A . 16 MVA HG22 . . . . . . . . . c30498_6e5j 1 . 3 . 1167 . 1 1 16 MVA HG23 H -1.464 0.500 -1.269 . . . 1.0 . . . . . . . . . . . . A . 16 MVA HG23 . . . . . . . . . c30498_6e5j 1 . 3 . 1168 . 1 1 16 MVA HN1 H -4.545 0.144 -4.235 . . . 1.0 . . . . . . . . . . . . A . 16 MVA HN1 . . . . . . . . . c30498_6e5j 1 . 3 . 1169 . 1 1 16 MVA HN2 H -6.228 0.657 -4.341 . . . 1.0 . . . . . . . . . . . . A . 16 MVA HN2 . . . . . . . . . c30498_6e5j 1 . 3 . 1170 . 1 1 16 MVA HN3 H -5.832 -0.954 -3.743 . . . 1.0 . . . . . . . . . . . . A . 16 MVA HN3 . . . . . . . . . c30498_6e5j 1 . 3 . 1171 . 1 1 16 MVA N N -5.441 0.610 -2.390 . . . 1.0 . . . . . . . . . . . . A . 16 MVA N . . . . . . . . . c30498_6e5j 1 . 3 . 1172 . 1 1 16 MVA O O -2.697 0.936 -3.750 . . . 1.0 . . . . . . . . . . . . A . 16 MVA O . . . . . . . . . c30498_6e5j 1 . 3 . 1173 . 1 1 17 ARG C C -0.547 3.659 -2.747 . . . 1.0 . . . . . . . . . . . . A . 17 ARG C . . . . . . . . . c30498_6e5j 1 . 3 . 1174 . 1 1 17 ARG CA C -1.898 3.567 -3.434 . . . 1.0 . . . . . . . . . . . . A . 17 ARG CA . . . . . . . . . c30498_6e5j 1 . 3 . 1175 . 1 1 17 ARG CB C -2.400 4.976 -3.751 . . . 1.0 . . . . . . . . . . . . A . 17 ARG CB . . . . . . . . . c30498_6e5j 1 . 3 . 1176 . 1 1 17 ARG CD C -4.099 6.430 -4.895 . . . 1.0 . . . . . . . . . . . . A . 17 ARG CD . . . . . . . . . c30498_6e5j 1 . 3 . 1177 . 1 1 17 ARG CG C -3.718 5.009 -4.505 . . . 1.0 . . . . . . . . . . . . A . 17 ARG CG . . . . . . . . . c30498_6e5j 1 . 3 . 1178 . 1 1 17 ARG CZ C -5.405 8.014 -3.511 . . . 1.0 . . . . . . . . . . . . A . 17 ARG CZ . . . . . . . . . c30498_6e5j 1 . 3 . 1179 . 1 1 17 ARG H H -3.232 3.317 -1.811 . . . 1.0 . . . . . . . . . . . . A . 17 ARG H . . . . . . . . . c30498_6e5j 1 . 3 . 1180 . 1 1 17 ARG HA H -1.788 3.012 -4.353 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HA . . . . . . . . . c30498_6e5j 1 . 3 . 1181 . 1 1 17 ARG HB2 H -2.529 5.515 -2.826 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HB2 . . . . . . . . . c30498_6e5j 1 . 3 . 1182 . 1 1 17 ARG HB3 H -1.657 5.481 -4.348 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HB3 . . . . . . . . . c30498_6e5j 1 . 3 . 1183 . 1 1 17 ARG HD2 H -3.311 6.842 -5.508 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HD2 . . . . . . . . . c30498_6e5j 1 . 3 . 1184 . 1 1 17 ARG HD3 H -5.012 6.397 -5.467 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HD3 . . . . . . . . . c30498_6e5j 1 . 3 . 1185 . 1 1 17 ARG HE H -3.549 7.374 -3.087 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HE . . . . . . . . . c30498_6e5j 1 . 3 . 1186 . 1 1 17 ARG HG2 H -3.622 4.412 -5.400 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HG2 . . . . . . . . . c30498_6e5j 1 . 3 . 1187 . 1 1 17 ARG HG3 H -4.492 4.595 -3.876 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HG3 . . . . . . . . . c30498_6e5j 1 . 3 . 1188 . 1 1 17 ARG HH11 H -6.377 7.356 -5.165 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HH11 . . . . . . . . . c30498_6e5j 1 . 3 . 1189 . 1 1 17 ARG HH12 H -7.261 8.476 -4.180 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HH12 . . . . . . . . . c30498_6e5j 1 . 3 . 1190 . 1 1 17 ARG HH21 H -6.321 9.336 -2.281 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HH21 . . . . . . . . . c30498_6e5j 1 . 3 . 1191 . 1 1 17 ARG HH22 H -4.711 8.876 -1.807 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HH22 . . . . . . . . . c30498_6e5j 1 . 3 . 1192 . 1 1 17 ARG N N -2.839 2.855 -2.588 . . . 1.0 . . . . . . . . . . . . A . 17 ARG N . . . . . . . . . c30498_6e5j 1 . 3 . 1193 . 1 1 17 ARG NE N -4.296 7.303 -3.733 . . . 1.0 . . . . . . . . . . . . A . 17 ARG NE . . . . . . . . . c30498_6e5j 1 . 3 . 1194 . 1 1 17 ARG NH1 N -6.428 7.945 -4.354 . . . 1.0 . . . . . . . . . . . . A . 17 ARG NH1 . . . . . . . . . c30498_6e5j 1 . 3 . 1195 . 1 1 17 ARG NH2 N -5.488 8.804 -2.448 . . . 1.0 . . . . . . . . . . . . A . 17 ARG NH2 . . . . . . . . . c30498_6e5j 1 . 3 . 1196 . 1 1 17 ARG O O -0.451 4.093 -1.597 . . . 1.0 . . . . . . . . . . . . A . 17 ARG O . . . . . . . . . c30498_6e5j 1 . 3 . 1197 . 1 1 18 CYS C C 2.630 4.380 -3.667 . . . 1.0 . . . . . . . . . . . . A . 18 CYS C . . . . . . . . . c30498_6e5j 1 . 3 . 1198 . 1 1 18 CYS CA C 1.837 3.330 -2.907 . . . 1.0 . . . . . . . . . . . . A . 18 CYS CA . . . . . . . . . c30498_6e5j 1 . 3 . 1199 . 1 1 18 CYS CB C 2.541 1.977 -3.002 . . . 1.0 . . . . . . . . . . . . A . 18 CYS CB . . . . . . . . . c30498_6e5j 1 . 3 . 1200 . 1 1 18 CYS H H 0.356 2.881 -4.344 . . . 1.0 . . . . . . . . . . . . A . 18 CYS H . . . . . . . . . c30498_6e5j 1 . 3 . 1201 . 1 1 18 CYS HA H 1.765 3.622 -1.869 . . . 1.0 . . . . . . . . . . . . A . 18 CYS HA . . . . . . . . . c30498_6e5j 1 . 3 . 1202 . 1 1 18 CYS HB2 H 1.898 1.215 -2.587 . . . 1.0 . . . . . . . . . . . . A . 18 CYS HB2 . . . . . . . . . c30498_6e5j 1 . 3 . 1203 . 1 1 18 CYS HB3 H 2.735 1.755 -4.039 . . . 1.0 . . . . . . . . . . . . A . 18 CYS HB3 . . . . . . . . . c30498_6e5j 1 . 3 . 1204 . 1 1 18 CYS N N 0.492 3.247 -3.444 . . . 1.0 . . . . . . . . . . . . A . 18 CYS N . . . . . . . . . c30498_6e5j 1 . 3 . 1205 . 1 1 18 CYS O O 2.753 4.309 -4.891 . . . 1.0 . . . . . . . . . . . . A . 18 CYS O . . . . . . . . . c30498_6e5j 1 . 3 . 1206 . 1 1 18 CYS SG S 4.132 1.913 -2.112 . . . 1.0 . . . . . . . . . . . . A . 18 CYS SG . . . . . . . . . c30498_6e5j 1 . 3 . 1207 . 1 1 19 ASP C C 5.205 6.647 -2.737 . . . 1.0 . . . . . . . . . . . . A . 19 ASP C . . . . . . . . . c30498_6e5j 1 . 3 . 1208 . 1 1 19 ASP CA C 3.954 6.404 -3.566 . . . 1.0 . . . . . . . . . . . . A . 19 ASP CA . . . . . . . . . c30498_6e5j 1 . 3 . 1209 . 1 1 19 ASP CB C 3.151 7.700 -3.702 . . . 1.0 . . . . . . . . . . . . A . 19 ASP CB . . . . . . . . . c30498_6e5j 1 . 3 . 1210 . 1 1 19 ASP CG C 3.858 8.728 -4.565 . . . 1.0 . . . . . . . . . . . . A . 19 ASP CG . . . . . . . . . c30498_6e5j 1 . 3 . 1211 . 1 1 19 ASP H H 3.000 5.383 -1.978 . . . 1.0 . . . . . . . . . . . . A . 19 ASP H . . . . . . . . . c30498_6e5j 1 . 3 . 1212 . 1 1 19 ASP HA H 4.244 6.063 -4.548 . . . 1.0 . . . . . . . . . . . . A . 19 ASP HA . . . . . . . . . c30498_6e5j 1 . 3 . 1213 . 1 1 19 ASP HB2 H 2.192 7.478 -4.146 . . . 1.0 . . . . . . . . . . . . A . 19 ASP HB2 . . . . . . . . . c30498_6e5j 1 . 3 . 1214 . 1 1 19 ASP HB3 H 2.999 8.124 -2.720 . . . 1.0 . . . . . . . . . . . . A . 19 ASP HB3 . . . . . . . . . c30498_6e5j 1 . 3 . 1215 . 1 1 19 ASP N N 3.151 5.361 -2.951 . . . 1.0 . . . . . . . . . . . . A . 19 ASP N . . . . . . . . . c30498_6e5j 1 . 3 . 1216 . 1 1 19 ASP O O 5.182 7.413 -1.769 . . . 1.0 . . . . . . . . . . . . A . 19 ASP O . . . . . . . . . c30498_6e5j 1 . 3 . 1217 . 1 1 19 ASP OD1 O 4.555 9.601 -4.004 . . . 1.0 . . . . . . . . . . . . A . 19 ASP OD1 . . . . . . . . . c30498_6e5j 1 . 3 . 1218 . 1 1 19 ASP OD2 O 3.738 8.661 -5.807 . . . 1.0 . . . . . . . . . . . . A . 19 ASP OD2 . . . . . . . . . c30498_6e5j 1 . 3 . 1219 . 1 1 20 DPR C C 7.379 5.665 -0.882 . . . 1.0 . . . . . . . . . . . . A . 20 DPR C . . . . . . . . . c30498_6e5j 1 . 3 . 1220 . 1 1 20 DPR CA C 7.566 6.069 -2.344 . . . 1.0 . . . . . . . . . . . . A . 20 DPR CA . . . . . . . . . c30498_6e5j 1 . 3 . 1221 . 1 1 20 DPR CB C 8.497 5.088 -3.061 . . . 1.0 . . . . . . . . . . . . A . 20 DPR CB . . . . . . . . . c30498_6e5j 1 . 3 . 1222 . 1 1 20 DPR CD C 6.434 5.095 -4.264 . . . 1.0 . . . . . . . . . . . . A . 20 DPR CD . . . . . . . . . c30498_6e5j 1 . 3 . 1223 . 1 1 20 DPR CG C 7.919 4.931 -4.422 . . . 1.0 . . . . . . . . . . . . A . 20 DPR CG . . . . . . . . . c30498_6e5j 1 . 3 . 1224 . 1 1 20 DPR HA H 7.989 7.057 -2.393 . . . 1.0 . . . . . . . . . . . . A . 20 DPR HA . . . . . . . . . c30498_6e5j 1 . 3 . 1225 . 1 1 20 DPR HB2 H 8.511 4.149 -2.530 . . . 1.0 . . . . . . . . . . . . A . 20 DPR HB2 . . . . . . . . . c30498_6e5j 1 . 3 . 1226 . 1 1 20 DPR HB3 H 9.494 5.500 -3.101 . . . 1.0 . . . . . . . . . . . . A . 20 DPR HB3 . . . . . . . . . c30498_6e5j 1 . 3 . 1227 . 1 1 20 DPR HD2 H 5.964 4.141 -4.075 . . . 1.0 . . . . . . . . . . . . A . 20 DPR HD2 . . . . . . . . . c30498_6e5j 1 . 3 . 1228 . 1 1 20 DPR HD3 H 6.013 5.558 -5.143 . . . 1.0 . . . . . . . . . . . . A . 20 DPR HD3 . . . . . . . . . c30498_6e5j 1 . 3 . 1229 . 1 1 20 DPR HG2 H 8.148 3.949 -4.807 . . . 1.0 . . . . . . . . . . . . A . 20 DPR HG2 . . . . . . . . . c30498_6e5j 1 . 3 . 1230 . 1 1 20 DPR HG3 H 8.313 5.692 -5.080 . . . 1.0 . . . . . . . . . . . . A . 20 DPR HG3 . . . . . . . . . c30498_6e5j 1 . 3 . 1231 . 1 1 20 DPR N N 6.313 5.981 -3.094 . . . 1.0 . . . . . . . . . . . . A . 20 DPR N . . . . . . . . . c30498_6e5j 1 . 3 . 1232 . 1 1 20 DPR O O 6.946 4.552 -0.585 . . . 1.0 . . . . . . . . . . . . A . 20 DPR O . . . . . . . . . c30498_6e5j 1 . 3 . 1233 . 1 1 21 PRO C C 6.104 6.491 1.962 . . . 1.0 . . . . . . . . . . . . A . 21 PRO C . . . . . . . . . c30498_6e5j 1 . 3 . 1234 . 1 1 21 PRO CA C 7.544 6.336 1.481 . . . 1.0 . . . . . . . . . . . . A . 21 PRO CA . . . . . . . . . c30498_6e5j 1 . 3 . 1235 . 1 1 21 PRO CB C 8.423 7.417 2.100 . . . 1.0 . . . . . . . . . . . . A . 21 PRO CB . . . . . . . . . c30498_6e5j 1 . 3 . 1236 . 1 1 21 PRO CD C 8.248 7.916 -0.235 . . . 1.0 . . . . . . . . . . . . A . 21 PRO CD . . . . . . . . . c30498_6e5j 1 . 3 . 1237 . 1 1 21 PRO CG C 8.374 8.544 1.128 . . . 1.0 . . . . . . . . . . . . A . 21 PRO CG . . . . . . . . . c30498_6e5j 1 . 3 . 1238 . 1 1 21 PRO HA H 7.915 5.363 1.758 . . . 1.0 . . . . . . . . . . . . A . 21 PRO HA . . . . . . . . . c30498_6e5j 1 . 3 . 1239 . 1 1 21 PRO HB2 H 8.020 7.705 3.061 . . . 1.0 . . . . . . . . . . . . A . 21 PRO HB2 . . . . . . . . . c30498_6e5j 1 . 3 . 1240 . 1 1 21 PRO HB3 H 9.428 7.045 2.222 . . . 1.0 . . . . . . . . . . . . A . 21 PRO HB3 . . . . . . . . . c30498_6e5j 1 . 3 . 1241 . 1 1 21 PRO HD2 H 7.574 8.488 -0.853 . . . 1.0 . . . . . . . . . . . . A . 21 PRO HD2 . . . . . . . . . c30498_6e5j 1 . 3 . 1242 . 1 1 21 PRO HD3 H 9.217 7.839 -0.705 . . . 1.0 . . . . . . . . . . . . A . 21 PRO HD3 . . . . . . . . . c30498_6e5j 1 . 3 . 1243 . 1 1 21 PRO HG2 H 7.515 9.166 1.332 . . . 1.0 . . . . . . . . . . . . A . 21 PRO HG2 . . . . . . . . . c30498_6e5j 1 . 3 . 1244 . 1 1 21 PRO HG3 H 9.281 9.124 1.191 . . . 1.0 . . . . . . . . . . . . A . 21 PRO HG3 . . . . . . . . . c30498_6e5j 1 . 3 . 1245 . 1 1 21 PRO N N 7.694 6.578 0.045 . . . 1.0 . . . . . . . . . . . . A . 21 PRO N . . . . . . . . . c30498_6e5j 1 . 3 . 1246 . 1 1 21 PRO O O 5.808 6.284 3.140 . . . 1.0 . . . . . . . . . . . . A . 21 PRO O . . . . . . . . . c30498_6e5j 1 . 3 . 1247 . 1 1 22 ARG C C 2.927 5.947 0.997 . . . 1.0 . . . . . . . . . . . . A . 22 ARG C . . . . . . . . . c30498_6e5j 1 . 3 . 1248 . 1 1 22 ARG CA C 3.823 7.094 1.425 . . . 1.0 . . . . . . . . . . . . A . 22 ARG CA . . . . . . . . . c30498_6e5j 1 . 3 . 1249 . 1 1 22 ARG CB C 3.322 8.408 0.830 . . . 1.0 . . . . . . . . . . . . A . 22 ARG CB . . . . . . . . . c30498_6e5j 1 . 3 . 1250 . 1 1 22 ARG CD C 3.386 9.607 3.035 . . . 1.0 . . . . . . . . . . . . A . 22 ARG CD . . . . . . . . . c30498_6e5j 1 . 3 . 1251 . 1 1 22 ARG CG C 3.817 9.637 1.574 . . . 1.0 . . . . . . . . . . . . A . 22 ARG CG . . . . . . . . . c30498_6e5j 1 . 3 . 1252 . 1 1 22 ARG CZ C 1.399 8.522 4.027 . . . 1.0 . . . . . . . . . . . . A . 22 ARG CZ . . . . . . . . . c30498_6e5j 1 . 3 . 1253 . 1 1 22 ARG H H 5.481 6.953 0.116 . . . 1.0 . . . . . . . . . . . . A . 22 ARG H . . . . . . . . . c30498_6e5j 1 . 3 . 1254 . 1 1 22 ARG HA H 3.784 7.167 2.500 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HA . . . . . . . . . c30498_6e5j 1 . 3 . 1255 . 1 1 22 ARG HB2 H 3.656 8.475 -0.196 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HB2 . . . . . . . . . c30498_6e5j 1 . 3 . 1256 . 1 1 22 ARG HB3 H 2.244 8.409 0.849 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HB3 . . . . . . . . . c30498_6e5j 1 . 3 . 1257 . 1 1 22 ARG HD2 H 3.914 8.811 3.538 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HD2 . . . . . . . . . c30498_6e5j 1 . 3 . 1258 . 1 1 22 ARG HD3 H 3.642 10.552 3.493 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HD3 . . . . . . . . . c30498_6e5j 1 . 3 . 1259 . 1 1 22 ARG HE H 1.352 9.894 2.571 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HE . . . . . . . . . c30498_6e5j 1 . 3 . 1260 . 1 1 22 ARG HG2 H 4.895 9.665 1.526 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HG2 . . . . . . . . . c30498_6e5j 1 . 3 . 1261 . 1 1 22 ARG HG3 H 3.410 10.519 1.105 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HG3 . . . . . . . . . c30498_6e5j 1 . 3 . 1262 . 1 1 22 ARG HH11 H 1.749 7.205 5.535 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HH11 . . . . . . . . . c30498_6e5j 1 . 3 . 1263 . 1 1 22 ARG HH12 H 3.153 8.015 4.917 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HH12 . . . . . . . . . c30498_6e5j 1 . 3 . 1264 . 1 1 22 ARG HH21 H -0.338 7.687 4.665 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HH21 . . . . . . . . . c30498_6e5j 1 . 3 . 1265 . 1 1 22 ARG HH22 H -0.495 8.843 3.376 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HH22 . . . . . . . . . c30498_6e5j 1 . 3 . 1266 . 1 1 22 ARG N N 5.208 6.857 1.057 . . . 1.0 . . . . . . . . . . . . A . 22 ARG N . . . . . . . . . c30498_6e5j 1 . 3 . 1267 . 1 1 22 ARG NE N 1.945 9.386 3.172 . . . 1.0 . . . . . . . . . . . . A . 22 ARG NE . . . . . . . . . c30498_6e5j 1 . 3 . 1268 . 1 1 22 ARG NH1 N 2.162 7.857 4.891 . . . 1.0 . . . . . . . . . . . . A . 22 ARG NH1 . . . . . . . . . c30498_6e5j 1 . 3 . 1269 . 1 1 22 ARG NH2 N 0.084 8.335 4.025 . . . 1.0 . . . . . . . . . . . . A . 22 ARG NH2 . . . . . . . . . c30498_6e5j 1 . 3 . 1270 . 1 1 22 ARG O O 3.077 5.389 -0.091 . . . 1.0 . . . . . . . . . . . . A . 22 ARG O . . . . . . . . . c30498_6e5j 1 . 3 . 1271 . 1 1 23 TYR C C -0.341 4.918 1.973 . . . 1.0 . . . . . . . . . . . . A . 23 TYR C . . . . . . . . . c30498_6e5j 1 . 3 . 1272 . 1 1 23 TYR CA C 1.078 4.503 1.630 . . . 1.0 . . . . . . . . . . . . A . 23 TYR CA . . . . . . . . . c30498_6e5j 1 . 3 . 1273 . 1 1 23 TYR CB C 1.470 3.289 2.470 . . . 1.0 . . . . . . . . . . . . A . 23 TYR CB . . . . . . . . . c30498_6e5j 1 . 3 . 1274 . 1 1 23 TYR CD1 C 3.908 3.271 3.108 . . . 1.0 . . . . . . . . . . . . A . 23 TYR CD1 . . . . . . . . . c30498_6e5j 1 . 3 . 1275 . 1 1 23 TYR CD2 C 3.230 1.985 1.223 . . . 1.0 . . . . . . . . . . . . A . 23 TYR CD2 . . . . . . . . . c30498_6e5j 1 . 3 . 1276 . 1 1 23 TYR CE1 C 5.213 2.867 2.919 . . . 1.0 . . . . . . . . . . . . A . 23 TYR CE1 . . . . . . . . . c30498_6e5j 1 . 3 . 1277 . 1 1 23 TYR CE2 C 4.533 1.573 1.030 . . . 1.0 . . . . . . . . . . . . A . 23 TYR CE2 . . . . . . . . . c30498_6e5j 1 . 3 . 1278 . 1 1 23 TYR CG C 2.895 2.838 2.266 . . . 1.0 . . . . . . . . . . . . A . 23 TYR CG . . . . . . . . . c30498_6e5j 1 . 3 . 1279 . 1 1 23 TYR CZ C 5.516 1.995 1.902 . . . 1.0 . . . . . . . . . . . . A . 23 TYR CZ . . . . . . . . . c30498_6e5j 1 . 3 . 1280 . 1 1 23 TYR H H 1.906 6.114 2.701 . . . 1.0 . . . . . . . . . . . . A . 23 TYR H . . . . . . . . . c30498_6e5j 1 . 3 . 1281 . 1 1 23 TYR HA H 1.130 4.244 0.584 . . . 1.0 . . . . . . . . . . . . A . 23 TYR HA . . . . . . . . . c30498_6e5j 1 . 3 . 1282 . 1 1 23 TYR HB2 H 1.347 3.530 3.515 . . . 1.0 . . . . . . . . . . . . A . 23 TYR HB2 . . . . . . . . . c30498_6e5j 1 . 3 . 1283 . 1 1 23 TYR HB3 H 0.819 2.463 2.219 . . . 1.0 . . . . . . . . . . . . A . 23 TYR HB3 . . . . . . . . . c30498_6e5j 1 . 3 . 1284 . 1 1 23 TYR HD1 H 3.661 3.933 3.925 . . . 1.0 . . . . . . . . . . . . A . 23 TYR HD1 . . . . . . . . . c30498_6e5j 1 . 3 . 1285 . 1 1 23 TYR HD2 H 2.451 1.636 0.561 . . . 1.0 . . . . . . . . . . . . A . 23 TYR HD2 . . . . . . . . . c30498_6e5j 1 . 3 . 1286 . 1 1 23 TYR HE1 H 5.986 3.214 3.588 . . . 1.0 . . . . . . . . . . . . A . 23 TYR HE1 . . . . . . . . . c30498_6e5j 1 . 3 . 1287 . 1 1 23 TYR HE2 H 4.772 0.908 0.213 . . . 1.0 . . . . . . . . . . . . A . 23 TYR HE2 . . . . . . . . . c30498_6e5j 1 . 3 . 1288 . 1 1 23 TYR HH H 7.231 1.431 2.542 . . . 1.0 . . . . . . . . . . . . A . 23 TYR HH . . . . . . . . . c30498_6e5j 1 . 3 . 1289 . 1 1 23 TYR N N 1.992 5.603 1.870 . . . 1.0 . . . . . . . . . . . . A . 23 TYR N . . . . . . . . . c30498_6e5j 1 . 3 . 1290 . 1 1 23 TYR O O -0.599 5.443 3.057 . . . 1.0 . . . . . . . . . . . . A . 23 TYR O . . . . . . . . . c30498_6e5j 1 . 3 . 1291 . 1 1 23 TYR OH O 6.823 1.618 1.685 . . . 1.0 . . . . . . . . . . . . A . 23 TYR OH . . . . . . . . . c30498_6e5j 1 . 3 . 1292 . 1 1 24 GLU C C -3.492 3.758 1.109 . . . 1.0 . . . . . . . . . . . . A . 24 GLU C . . . . . . . . . c30498_6e5j 1 . 3 . 1293 . 1 1 24 GLU CA C -2.651 5.016 1.241 . . . 1.0 . . . . . . . . . . . . A . 24 GLU CA . . . . . . . . . c30498_6e5j 1 . 3 . 1294 . 1 1 24 GLU CB C -3.105 6.037 0.203 . . . 1.0 . . . . . . . . . . . . A . 24 GLU CB . . . . . . . . . c30498_6e5j 1 . 3 . 1295 . 1 1 24 GLU CD C -2.741 8.280 -0.853 . . . 1.0 . . . . . . . . . . . . A . 24 GLU CD . . . . . . . . . c30498_6e5j 1 . 3 . 1296 . 1 1 24 GLU CG C -2.376 7.363 0.286 . . . 1.0 . . . . . . . . . . . . A . 24 GLU CG . . . . . . . . . c30498_6e5j 1 . 3 . 1297 . 1 1 24 GLU H H -0.972 4.278 0.198 . . . 1.0 . . . . . . . . . . . . A . 24 GLU H . . . . . . . . . c30498_6e5j 1 . 3 . 1298 . 1 1 24 GLU HA H -2.770 5.429 2.229 . . . 1.0 . . . . . . . . . . . . A . 24 GLU HA . . . . . . . . . c30498_6e5j 1 . 3 . 1299 . 1 1 24 GLU HB2 H -2.940 5.624 -0.781 . . . 1.0 . . . . . . . . . . . . A . 24 GLU HB2 . . . . . . . . . c30498_6e5j 1 . 3 . 1300 . 1 1 24 GLU HB3 H -4.160 6.219 0.332 . . . 1.0 . . . . . . . . . . . . A . 24 GLU HB3 . . . . . . . . . c30498_6e5j 1 . 3 . 1301 . 1 1 24 GLU HG2 H -2.637 7.846 1.217 . . . 1.0 . . . . . . . . . . . . A . 24 GLU HG2 . . . . . . . . . c30498_6e5j 1 . 3 . 1302 . 1 1 24 GLU HG3 H -1.313 7.180 0.259 . . . 1.0 . . . . . . . . . . . . A . 24 GLU HG3 . . . . . . . . . c30498_6e5j 1 . 3 . 1303 . 1 1 24 GLU N N -1.250 4.689 1.046 . . . 1.0 . . . . . . . . . . . . A . 24 GLU N . . . . . . . . . c30498_6e5j 1 . 3 . 1304 . 1 1 24 GLU O O -3.327 3.014 0.149 . . . 1.0 . . . . . . . . . . . . A . 24 GLU O . . . . . . . . . c30498_6e5j 1 . 3 . 1305 . 1 1 24 GLU OE1 O -3.527 9.225 -0.633 . . . 1.0 . . . . . . . . . . . . A . 24 GLU OE1 . . . . . . . . . c30498_6e5j 1 . 3 . 1306 . 1 1 24 GLU OE2 O -2.233 8.077 -1.977 . . . 1.0 . . . . . . . . . . . . A . 24 GLU OE2 . . . . . . . . . c30498_6e5j 1 . 3 . 1307 . 1 1 25 MVA C C -6.606 2.403 2.613 . . . 1.0 . . . . . . . . . . . . A . 25 MVA C . . . . . . . . . c30498_6e5j 1 . 3 . 1308 . 1 1 25 MVA CA C -5.216 2.267 1.976 . . . 1.0 . . . . . . . . . . . . A . 25 MVA CA . . . . . . . . . c30498_6e5j 1 . 3 . 1309 . 1 1 25 MVA CB C -4.469 1.054 2.594 . . . 1.0 . . . . . . . . . . . . A . 25 MVA CB . . . . . . . . . c30498_6e5j 1 . 3 . 1310 . 1 1 25 MVA CG1 C -4.029 1.317 4.027 . . . 1.0 . . . . . . . . . . . . A . 25 MVA CG1 . . . . . . . . . c30498_6e5j 1 . 3 . 1311 . 1 1 25 MVA CG2 C -5.338 -0.191 2.519 . . . 1.0 . . . . . . . . . . . . A . 25 MVA CG2 . . . . . . . . . c30498_6e5j 1 . 3 . 1312 . 1 1 25 MVA CN C -4.633 4.475 3.137 . . . 1.0 . . . . . . . . . . . . A . 25 MVA CN . . . . . . . . . c30498_6e5j 1 . 3 . 1313 . 1 1 25 MVA HA H -5.378 2.026 0.935 . . . 1.0 . . . . . . . . . . . . A . 25 MVA HA . . . . . . . . . c30498_6e5j 1 . 3 . 1314 . 1 1 25 MVA HB H -3.582 0.874 2.004 . . . 1.0 . . . . . . . . . . . . A . 25 MVA HB . . . . . . . . . c30498_6e5j 1 . 3 . 1315 . 1 1 25 MVA HG11 H -3.331 2.141 4.042 . . . 1.0 . . . . . . . . . . . . A . 25 MVA HG11 . . . . . . . . . c30498_6e5j 1 . 3 . 1316 . 1 1 25 MVA HG12 H -3.555 0.434 4.427 . . . 1.0 . . . . . . . . . . . . A . 25 MVA HG12 . . . . . . . . . c30498_6e5j 1 . 3 . 1317 . 1 1 25 MVA HG13 H -4.891 1.566 4.627 . . . 1.0 . . . . . . . . . . . . A . 25 MVA HG13 . . . . . . . . . c30498_6e5j 1 . 3 . 1318 . 1 1 25 MVA HG21 H -4.808 -1.027 2.949 . . . 1.0 . . . . . . . . . . . . A . 25 MVA HG21 . . . . . . . . . c30498_6e5j 1 . 3 . 1319 . 1 1 25 MVA HG22 H -5.573 -0.404 1.487 . . . 1.0 . . . . . . . . . . . . A . 25 MVA HG22 . . . . . . . . . c30498_6e5j 1 . 3 . 1320 . 1 1 25 MVA HG23 H -6.252 -0.024 3.068 . . . 1.0 . . . . . . . . . . . . A . 25 MVA HG23 . . . . . . . . . c30498_6e5j 1 . 3 . 1321 . 1 1 25 MVA HN1 H -3.759 4.516 3.768 . . . 1.0 . . . . . . . . . . . . A . 25 MVA HN1 . . . . . . . . . c30498_6e5j 1 . 3 . 1322 . 1 1 25 MVA HN2 H -5.487 4.167 3.723 . . . 1.0 . . . . . . . . . . . . A . 25 MVA HN2 . . . . . . . . . c30498_6e5j 1 . 3 . 1323 . 1 1 25 MVA HN3 H -4.818 5.451 2.715 . . . 1.0 . . . . . . . . . . . . A . 25 MVA HN3 . . . . . . . . . c30498_6e5j 1 . 3 . 1324 . 1 1 25 MVA N N -4.412 3.500 2.047 . . . 1.0 . . . . . . . . . . . . A . 25 MVA N . . . . . . . . . c30498_6e5j 1 . 3 . 1325 . 1 1 25 MVA O O -6.764 2.625 3.816 . . . 1.0 . . . . . . . . . . . . A . 25 MVA O . . . . . . . . . c30498_6e5j 1 . 3 . 1326 . 1 1 26 HIS C C -9.669 0.970 2.028 . . . 1.0 . . . . . . . . . . . . A . 26 HIS C . . . . . . . . . c30498_6e5j 1 . 3 . 1327 . 1 1 26 HIS CA C -9.000 2.327 2.198 . . . 1.0 . . . . . . . . . . . . A . 26 HIS CA . . . . . . . . . c30498_6e5j 1 . 3 . 1328 . 1 1 26 HIS CB C -9.760 3.379 1.385 . . . 1.0 . . . . . . . . . . . . A . 26 HIS CB . . . . . . . . . c30498_6e5j 1 . 3 . 1329 . 1 1 26 HIS CD2 C -8.406 5.430 0.541 . . . 1.0 . . . . . . . . . . . . A . 26 HIS CD2 . . . . . . . . . c30498_6e5j 1 . 3 . 1330 . 1 1 26 HIS CE1 C -8.685 6.737 2.272 . . . 1.0 . . . . . . . . . . . . A . 26 HIS CE1 . . . . . . . . . c30498_6e5j 1 . 3 . 1331 . 1 1 26 HIS CG C -9.161 4.756 1.441 . . . 1.0 . . . . . . . . . . . . A . 26 HIS CG . . . . . . . . . c30498_6e5j 1 . 3 . 1332 . 1 1 26 HIS H H -7.420 2.048 0.830 . . . 1.0 . . . . . . . . . . . . A . 26 HIS H . . . . . . . . . c30498_6e5j 1 . 3 . 1333 . 1 1 26 HIS HA H -9.017 2.602 3.242 . . . 1.0 . . . . . . . . . . . . A . 26 HIS HA . . . . . . . . . c30498_6e5j 1 . 3 . 1334 . 1 1 26 HIS HB2 H -9.781 3.071 0.350 . . . 1.0 . . . . . . . . . . . . A . 26 HIS HB2 . . . . . . . . . c30498_6e5j 1 . 3 . 1335 . 1 1 26 HIS HB3 H -10.770 3.443 1.754 . . . 1.0 . . . . . . . . . . . . A . 26 HIS HB3 . . . . . . . . . c30498_6e5j 1 . 3 . 1336 . 1 1 26 HIS HD1 H -9.823 5.410 3.335 . . . 1.0 . . . . . . . . . . . . A . 26 HIS HD1 . . . . . . . . . c30498_6e5j 1 . 3 . 1337 . 1 1 26 HIS HD2 H -8.086 5.069 -0.424 . . . 1.0 . . . . . . . . . . . . A . 26 HIS HD2 . . . . . . . . . c30498_6e5j 1 . 3 . 1338 . 1 1 26 HIS HE1 H -8.636 7.586 2.937 . . . 1.0 . . . . . . . . . . . . A . 26 HIS HE1 . . . . . . . . . c30498_6e5j 1 . 3 . 1339 . 1 1 26 HIS HE2 H -7.786 7.428 0.576 . . . 1.0 . . . . . . . . . . . . A . 26 HIS HE2 . . . . . . . . . c30498_6e5j 1 . 3 . 1340 . 1 1 26 HIS N N -7.616 2.246 1.772 . . . 1.0 . . . . . . . . . . . . A . 26 HIS N . . . . . . . . . c30498_6e5j 1 . 3 . 1341 . 1 1 26 HIS ND1 N -9.315 5.604 2.514 . . . 1.0 . . . . . . . . . . . . A . 26 HIS ND1 . . . . . . . . . c30498_6e5j 1 . 3 . 1342 . 1 1 26 HIS NE2 N -8.124 6.658 1.082 . . . 1.0 . . . . . . . . . . . . A . 26 HIS NE2 . . . . . . . . . c30498_6e5j 1 . 3 . 1343 . 1 1 26 HIS O O -9.785 0.461 0.911 . . . 1.0 . . . . . . . . . . . . A . 26 HIS O . . . . . . . . . c30498_6e5j 1 . 3 . 1344 . 1 1 27 CYS C C -12.268 -0.673 3.261 . . . 1.0 . . . . . . . . . . . . A . 27 CYS C . . . . . . . . . c30498_6e5j 1 . 3 . 1345 . 1 1 27 CYS CA C -10.770 -0.896 3.107 . . . 1.0 . . . . . . . . . . . . A . 27 CYS CA . . . . . . . . . c30498_6e5j 1 . 3 . 1346 . 1 1 27 CYS CB C -10.264 -1.813 4.221 . . . 1.0 . . . . . . . . . . . . A . 27 CYS CB . . . . . . . . . c30498_6e5j 1 . 3 . 1347 . 1 1 27 CYS H H -9.901 0.806 3.997 . . . 1.0 . . . . . . . . . . . . A . 27 CYS H . . . . . . . . . c30498_6e5j 1 . 3 . 1348 . 1 1 27 CYS HA H -10.578 -1.361 2.152 . . . 1.0 . . . . . . . . . . . . A . 27 CYS HA . . . . . . . . . c30498_6e5j 1 . 3 . 1349 . 1 1 27 CYS HB2 H -10.370 -1.307 5.167 . . . 1.0 . . . . . . . . . . . . A . 27 CYS HB2 . . . . . . . . . c30498_6e5j 1 . 3 . 1350 . 1 1 27 CYS HB3 H -10.862 -2.713 4.231 . . . 1.0 . . . . . . . . . . . . A . 27 CYS HB3 . . . . . . . . . c30498_6e5j 1 . 3 . 1351 . 1 1 27 CYS N N -10.073 0.376 3.134 . . . 1.0 . . . . . . . . . . . . A . 27 CYS N . . . . . . . . . c30498_6e5j 1 . 3 . 1352 . 1 1 27 CYS O O -12.799 -0.668 4.370 . . . 1.0 . . . . . . . . . . . . A . 27 CYS O . . . . . . . . . c30498_6e5j 1 . 3 . 1353 . 1 1 27 CYS SG S -8.518 -2.309 4.048 . . . 1.0 . . . . . . . . . . . . A . 27 CYS SG . . . . . . . . . c30498_6e5j 1 . 3 . 1354 . 1 1 28 NH2 HN1 H -12.462 -0.491 1.297 . . . 1.0 . . . . . . . . . . . . A . 28 NH2 HN1 . . . . . . . . . c30498_6e5j 1 . 3 . 1355 . 1 1 28 NH2 HN2 H -13.913 -0.326 2.216 . . . 1.0 . . . . . . . . . . . . A . 28 NH2 HN2 . . . . . . . . . c30498_6e5j 1 . 3 . 1356 . 1 1 28 NH2 N N -12.949 -0.474 2.149 . . . 1.0 . . . . . . . . . . . . A . 28 NH2 N . . . . . . . . . c30498_6e5j 1 . 4 . 1357 . 1 1 1 ASN C C 10.230 -3.246 -3.791 . . . 1.0 . . . . . . . . . . . . A . 1 ASN C . . . . . . . . . c30498_6e5j 1 . 4 . 1358 . 1 1 1 ASN CA C 11.109 -2.009 -3.661 . . . 1.0 . . . . . . . . . . . . A . 1 ASN CA . . . . . . . . . c30498_6e5j 1 . 4 . 1359 . 1 1 1 ASN CB C 10.299 -0.752 -4.002 . . . 1.0 . . . . . . . . . . . . A . 1 ASN CB . . . . . . . . . c30498_6e5j 1 . 4 . 1360 . 1 1 1 ASN CG C 9.151 -0.488 -3.037 . . . 1.0 . . . . . . . . . . . . A . 1 ASN CG . . . . . . . . . c30498_6e5j 1 . 4 . 1361 . 1 1 1 ASN H1 H 11.961 -2.222 -5.544 . . . 1.0 . . . . . . . . . . . . A . 1 ASN H1 . . . . . . . . . c30498_6e5j 1 . 4 . 1362 . 1 1 1 ASN H2 H 12.843 -2.955 -4.306 . . . 1.0 . . . . . . . . . . . . A . 1 ASN H2 . . . . . . . . . c30498_6e5j 1 . 4 . 1363 . 1 1 1 ASN H3 H 12.874 -1.277 -4.483 . . . 1.0 . . . . . . . . . . . . A . 1 ASN H3 . . . . . . . . . c30498_6e5j 1 . 4 . 1364 . 1 1 1 ASN HA H 11.466 -1.937 -2.644 . . . 1.0 . . . . . . . . . . . . A . 1 ASN HA . . . . . . . . . c30498_6e5j 1 . 4 . 1365 . 1 1 1 ASN HB2 H 10.957 0.103 -3.988 . . . 1.0 . . . . . . . . . . . . A . 1 ASN HB2 . . . . . . . . . c30498_6e5j 1 . 4 . 1366 . 1 1 1 ASN HB3 H 9.889 -0.861 -4.995 . . . 1.0 . . . . . . . . . . . . A . 1 ASN HB3 . . . . . . . . . c30498_6e5j 1 . 4 . 1367 . 1 1 1 ASN HD21 H 9.355 1.468 -3.297 . . . 1.0 . . . . . . . . . . . . A . 1 ASN HD21 . . . . . . . . . c30498_6e5j 1 . 4 . 1368 . 1 1 1 ASN HD22 H 8.103 0.979 -2.208 . . . 1.0 . . . . . . . . . . . . A . 1 ASN HD22 . . . . . . . . . c30498_6e5j 1 . 4 . 1369 . 1 1 1 ASN N N 12.277 -2.122 -4.559 . . . 1.0 . . . . . . . . . . . . A . 1 ASN N . . . . . . . . . c30498_6e5j 1 . 4 . 1370 . 1 1 1 ASN ND2 N 8.838 0.779 -2.828 . . . 1.0 . . . . . . . . . . . . A . 1 ASN ND2 . . . . . . . . . c30498_6e5j 1 . 4 . 1371 . 1 1 1 ASN O O 9.598 -3.461 -4.827 . . . 1.0 . . . . . . . . . . . . A . 1 ASN O . . . . . . . . . c30498_6e5j 1 . 4 . 1372 . 1 1 1 ASN OD1 O 8.551 -1.406 -2.482 . . . 1.0 . . . . . . . . . . . . A . 1 ASN OD1 . . . . . . . . . c30498_6e5j 1 . 4 . 1373 . 1 1 2 ASP C C 8.181 -5.042 -1.772 . . . 1.0 . . . . . . . . . . . . A . 2 ASP C . . . . . . . . . c30498_6e5j 1 . 4 . 1374 . 1 1 2 ASP CA C 9.347 -5.244 -2.729 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CA . . . . . . . . . c30498_6e5j 1 . 4 . 1375 . 1 1 2 ASP CB C 10.143 -6.494 -2.347 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CB . . . . . . . . . c30498_6e5j 1 . 4 . 1376 . 1 1 2 ASP CG C 11.161 -6.869 -3.405 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CG . . . . . . . . . c30498_6e5j 1 . 4 . 1377 . 1 1 2 ASP H H 10.766 -3.865 -1.968 . . . 1.0 . . . . . . . . . . . . A . 2 ASP H . . . . . . . . . c30498_6e5j 1 . 4 . 1378 . 1 1 2 ASP HA H 8.954 -5.372 -3.724 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HA . . . . . . . . . c30498_6e5j 1 . 4 . 1379 . 1 1 2 ASP HB2 H 10.665 -6.315 -1.418 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HB2 . . . . . . . . . c30498_6e5j 1 . 4 . 1380 . 1 1 2 ASP HB3 H 9.462 -7.322 -2.220 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HB3 . . . . . . . . . c30498_6e5j 1 . 4 . 1381 . 1 1 2 ASP N N 10.200 -4.062 -2.747 . . . 1.0 . . . . . . . . . . . . A . 2 ASP N . . . . . . . . . c30498_6e5j 1 . 4 . 1382 . 1 1 2 ASP O O 7.138 -5.693 -1.891 . . . 1.0 . . . . . . . . . . . . A . 2 ASP O . . . . . . . . . c30498_6e5j 1 . 4 . 1383 . 1 1 2 ASP OD1 O 10.753 -7.341 -4.488 . . . 1.0 . . . . . . . . . . . . A . 2 ASP OD1 . . . . . . . . . c30498_6e5j 1 . 4 . 1384 . 1 1 2 ASP OD2 O 12.375 -6.693 -3.159 . . . 1.0 . . . . . . . . . . . . A . 2 ASP OD2 . . . . . . . . . c30498_6e5j 1 . 4 . 1385 . 1 1 3 B3K C C 5.627 -2.127 -0.625 . . . 1.0 . . . . . . . . . . . . A . 3 B3K C . . . . . . . . . c30498_6e5j 1 . 4 . 1386 . 1 1 3 B3K CA C 6.939 -2.358 0.070 . . . 1.0 . . . . . . . . . . . . A . 3 B3K CA . . . . . . . . . c30498_6e5j 1 . 4 . 1387 . 1 1 3 B3K CB C 7.319 -3.836 0.130 . . . 1.0 . . . . . . . . . . . . A . 3 B3K CB . . . . . . . . . c30498_6e5j 1 . 4 . 1388 . 1 1 3 B3K CD C 8.242 -5.560 1.778 . . . 1.0 . . . . . . . . . . . . A . 3 B3K CD . . . . . . . . . c30498_6e5j 1 . 4 . 1389 . 1 1 3 B3K CE C 8.725 -5.777 3.201 . . . 1.0 . . . . . . . . . . . . A . 3 B3K CE . . . . . . . . . c30498_6e5j 1 . 4 . 1390 . 1 1 3 B3K CF C 9.175 -7.210 3.427 . . . 1.0 . . . . . . . . . . . . A . 3 B3K CF . . . . . . . . . c30498_6e5j 1 . 4 . 1391 . 1 1 3 B3K CG C 7.810 -4.121 1.555 . . . 1.0 . . . . . . . . . . . . A . 3 B3K CG . . . . . . . . . c30498_6e5j 1 . 4 . 1392 . 1 1 3 B3K H H 9.215 -3.664 -0.766 . . . 1.0 . . . . . . . . . . . . A . 3 B3K H . . . . . . . . . c30498_6e5j 1 . 4 . 1393 . 1 1 3 B3K HA1 H 6.863 -1.975 1.077 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HA1 . . . . . . . . . c30498_6e5j 1 . 4 . 1394 . 1 1 3 B3K HA2 H 7.705 -1.813 -0.463 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HA2 . . . . . . . . . c30498_6e5j 1 . 4 . 1395 . 1 1 3 B3K HB H 6.451 -4.458 -0.147 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HB . . . . . . . . . c30498_6e5j 1 . 4 . 1396 . 1 1 3 B3K HD2 H 9.045 -5.795 1.095 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HD2 . . . . . . . . . c30498_6e5j 1 . 4 . 1397 . 1 1 3 B3K HD3 H 7.402 -6.211 1.590 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HD3 . . . . . . . . . c30498_6e5j 1 . 4 . 1398 . 1 1 3 B3K HE2 H 7.919 -5.549 3.883 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HE2 . . . . . . . . . c30498_6e5j 1 . 4 . 1399 . 1 1 3 B3K HE3 H 9.557 -5.115 3.391 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HE3 . . . . . . . . . c30498_6e5j 1 . 4 . 1400 . 1 1 3 B3K HF1 H 8.346 -7.870 3.216 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HF1 . . . . . . . . . c30498_6e5j 1 . 4 . 1401 . 1 1 3 B3K HF2 H 9.470 -7.324 4.458 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HF2 . . . . . . . . . c30498_6e5j 1 . 4 . 1402 . 1 1 3 B3K HG2 H 7.014 -3.896 2.250 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HG2 . . . . . . . . . c30498_6e5j 1 . 4 . 1403 . 1 1 3 B3K HG3 H 8.652 -3.479 1.768 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HG3 . . . . . . . . . c30498_6e5j 1 . 4 . 1404 . 1 1 3 B3K HNZ1 H 11.123 -6.945 2.728 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HNZ1 . . . . . . . . . c30498_6e5j 1 . 4 . 1405 . 1 1 3 B3K HNZ2 H 10.047 -7.517 1.555 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HNZ2 . . . . . . . . . c30498_6e5j 1 . 4 . 1406 . 1 1 3 B3K N N 8.360 -4.138 -0.821 . . . 1.0 . . . . . . . . . . . . A . 3 B3K N . . . . . . . . . c30498_6e5j 1 . 4 . 1407 . 1 1 3 B3K NZ N 10.320 -7.582 2.555 . . . 1.0 . . . . . . . . . . . . A . 3 B3K NZ . . . . . . . . . c30498_6e5j 1 . 4 . 1408 . 1 1 3 B3K O O 4.556 -2.384 -0.076 . . . 1.0 . . . . . . . . . . . . A . 3 B3K O . . . . . . . . . c30498_6e5j 1 . 4 . 1409 . 1 1 4 CYS C C 3.917 -2.748 -3.087 . . . 1.0 . . . . . . . . . . . . A . 4 CYS C . . . . . . . . . c30498_6e5j 1 . 4 . 1410 . 1 1 4 CYS CA C 4.538 -1.425 -2.673 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CA . . . . . . . . . c30498_6e5j 1 . 4 . 1411 . 1 1 4 CYS CB C 4.884 -0.586 -3.903 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CB . . . . . . . . . c30498_6e5j 1 . 4 . 1412 . 1 1 4 CYS H H 6.601 -1.440 -2.229 . . . 1.0 . . . . . . . . . . . . A . 4 CYS H . . . . . . . . . c30498_6e5j 1 . 4 . 1413 . 1 1 4 CYS HA H 3.823 -0.884 -2.072 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HA . . . . . . . . . c30498_6e5j 1 . 4 . 1414 . 1 1 4 CYS HB2 H 5.632 -1.102 -4.486 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB2 . . . . . . . . . c30498_6e5j 1 . 4 . 1415 . 1 1 4 CYS HB3 H 3.994 -0.455 -4.501 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB3 . . . . . . . . . c30498_6e5j 1 . 4 . 1416 . 1 1 4 CYS N N 5.715 -1.650 -1.859 . . . 1.0 . . . . . . . . . . . . A . 4 CYS N . . . . . . . . . c30498_6e5j 1 . 4 . 1417 . 1 1 4 CYS O O 2.717 -2.942 -2.910 . . . 1.0 . . . . . . . . . . . . A . 4 CYS O . . . . . . . . . c30498_6e5j 1 . 4 . 1418 . 1 1 4 CYS SG S 5.535 1.068 -3.508 . . . 1.0 . . . . . . . . . . . . A . 4 CYS SG . . . . . . . . . c30498_6e5j 1 . 4 . 1419 . 1 1 5 LYS C C 3.458 -5.629 -2.925 . . . 1.0 . . . . . . . . . . . . A . 5 LYS C . . . . . . . . . c30498_6e5j 1 . 4 . 1420 . 1 1 5 LYS CA C 4.272 -4.981 -4.033 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CA . . . . . . . . . c30498_6e5j 1 . 4 . 1421 . 1 1 5 LYS CB C 5.439 -5.897 -4.398 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CB . . . . . . . . . c30498_6e5j 1 . 4 . 1422 . 1 1 5 LYS CD C 7.473 -6.344 -5.779 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CD . . . . . . . . . c30498_6e5j 1 . 4 . 1423 . 1 1 5 LYS CE C 8.490 -5.771 -6.748 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CE . . . . . . . . . c30498_6e5j 1 . 4 . 1424 . 1 1 5 LYS CG C 6.354 -5.359 -5.482 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CG . . . . . . . . . c30498_6e5j 1 . 4 . 1425 . 1 1 5 LYS H H 5.696 -3.450 -3.697 . . . 1.0 . . . . . . . . . . . . A . 5 LYS H . . . . . . . . . c30498_6e5j 1 . 4 . 1426 . 1 1 5 LYS HA H 3.643 -4.845 -4.896 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HA . . . . . . . . . c30498_6e5j 1 . 4 . 1427 . 1 1 5 LYS HB2 H 6.035 -6.064 -3.513 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HB2 . . . . . . . . . c30498_6e5j 1 . 4 . 1428 . 1 1 5 LYS HB3 H 5.043 -6.843 -4.731 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HB3 . . . . . . . . . c30498_6e5j 1 . 4 . 1429 . 1 1 5 LYS HD2 H 7.971 -6.596 -4.857 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HD2 . . . . . . . . . c30498_6e5j 1 . 4 . 1430 . 1 1 5 LYS HD3 H 7.044 -7.238 -6.211 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HD3 . . . . . . . . . c30498_6e5j 1 . 4 . 1431 . 1 1 5 LYS HE2 H 8.006 -5.600 -7.697 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HE2 . . . . . . . . . c30498_6e5j 1 . 4 . 1432 . 1 1 5 LYS HE3 H 8.855 -4.832 -6.355 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HE3 . . . . . . . . . c30498_6e5j 1 . 4 . 1433 . 1 1 5 LYS HG2 H 5.777 -5.195 -6.382 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HG2 . . . . . . . . . c30498_6e5j 1 . 4 . 1434 . 1 1 5 LYS HG3 H 6.784 -4.425 -5.150 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HG3 . . . . . . . . . c30498_6e5j 1 . 4 . 1435 . 1 1 5 LYS HZ1 H 9.309 -7.580 -7.382 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ1 . . . . . . . . . c30498_6e5j 1 . 4 . 1436 . 1 1 5 LYS HZ2 H 10.085 -6.915 -6.034 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ2 . . . . . . . . . c30498_6e5j 1 . 4 . 1437 . 1 1 5 LYS HZ3 H 10.342 -6.255 -7.573 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ3 . . . . . . . . . c30498_6e5j 1 . 4 . 1438 . 1 1 5 LYS N N 4.746 -3.665 -3.605 . . . 1.0 . . . . . . . . . . . . A . 5 LYS N . . . . . . . . . c30498_6e5j 1 . 4 . 1439 . 1 1 5 LYS NZ N 9.635 -6.692 -6.950 . . . 1.0 . . . . . . . . . . . . A . 5 LYS NZ . . . . . . . . . c30498_6e5j 1 . 4 . 1440 . 1 1 5 LYS O O 2.235 -5.760 -3.029 . . . 1.0 . . . . . . . . . . . . A . 5 LYS O . . . . . . . . . c30498_6e5j 1 . 4 . 1441 . 1 1 6 B3E C C 2.282 -5.121 0.907 . . . 1.0 . . . . . . . . . . . . A . 6 B3E C . . . . . . . . . c30498_6e5j 1 . 4 . 1442 . 1 1 6 B3E CA C 3.591 -5.752 0.506 . . . 1.0 . . . . . . . . . . . . A . 6 B3E CA . . . . . . . . . c30498_6e5j 1 . 4 . 1443 . 1 1 6 B3E CB C 3.453 -6.620 -0.738 . . . 1.0 . . . . . . . . . . . . A . 6 B3E CB . . . . . . . . . c30498_6e5j 1 . 4 . 1444 . 1 1 6 B3E CD C 3.785 -9.030 -1.512 . . . 1.0 . . . . . . . . . . . . A . 6 B3E CD . . . . . . . . . c30498_6e5j 1 . 4 . 1445 . 1 1 6 B3E CE C 4.337 -10.393 -1.157 . . . 1.0 . . . . . . . . . . . . A . 6 B3E CE . . . . . . . . . c30498_6e5j 1 . 4 . 1446 . 1 1 6 B3E CG C 4.037 -8.000 -0.423 . . . 1.0 . . . . . . . . . . . . A . 6 B3E CG . . . . . . . . . c30498_6e5j 1 . 4 . 1447 . 1 1 6 B3E H H 5.115 -5.906 -1.827 . . . 1.0 . . . . . . . . . . . . A . 6 B3E H . . . . . . . . . c30498_6e5j 1 . 4 . 1448 . 1 1 6 B3E HA1 H 3.942 -6.362 1.323 . . . 1.0 . . . . . . . . . . . . A . 6 B3E HA1 . . . . . . . . . c30498_6e5j 1 . 4 . 1449 . 1 1 6 B3E HA2 H 4.306 -4.964 0.315 . . . 1.0 . . . . . . . . . . . . A . 6 B3E HA2 . . . . . . . . . c30498_6e5j 1 . 4 . 1450 . 1 1 6 B3E HB H 2.394 -6.680 -1.019 . . . 1.0 . . . . . . . . . . . . A . 6 B3E HB . . . . . . . . . c30498_6e5j 1 . 4 . 1451 . 1 1 6 B3E HD2 H 4.253 -8.692 -2.425 . . . 1.0 . . . . . . . . . . . . A . 6 B3E HD2 . . . . . . . . . c30498_6e5j 1 . 4 . 1452 . 1 1 6 B3E HD3 H 2.721 -9.118 -1.666 . . . 1.0 . . . . . . . . . . . . A . 6 B3E HD3 . . . . . . . . . c30498_6e5j 1 . 4 . 1453 . 1 1 6 B3E HG2 H 3.596 -8.362 0.492 . . . 1.0 . . . . . . . . . . . . A . 6 B3E HG2 . . . . . . . . . c30498_6e5j 1 . 4 . 1454 . 1 1 6 B3E HG3 H 5.103 -7.907 -0.286 . . . 1.0 . . . . . . . . . . . . A . 6 B3E HG3 . . . . . . . . . c30498_6e5j 1 . 4 . 1455 . 1 1 6 B3E N N 4.135 -6.025 -1.856 . . . 1.0 . . . . . . . . . . . . A . 6 B3E N . . . . . . . . . c30498_6e5j 1 . 4 . 1456 . 1 1 6 B3E O O 1.358 -5.797 1.373 . . . 1.0 . . . . . . . . . . . . A . 6 B3E O . . . . . . . . . c30498_6e5j 1 . 4 . 1457 . 1 1 6 B3E OF1 O 5.399 -10.763 -1.693 . . . 1.0 . . . . . . . . . . . . A . 6 B3E OF1 . . . . . . . . . c30498_6e5j 1 . 4 . 1458 . 1 1 6 B3E OF2 O 3.713 -11.101 -0.336 . . . 1.0 . . . . . . . . . . . . A . 6 B3E OF2 . . . . . . . . . c30498_6e5j 1 . 4 . 1459 . 1 1 7 LEU C C -0.076 -3.207 -0.022 . . . 1.0 . . . . . . . . . . . . A . 7 LEU C . . . . . . . . . c30498_6e5j 1 . 4 . 1460 . 1 1 7 LEU CA C 1.006 -3.057 1.045 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CA . . . . . . . . . c30498_6e5j 1 . 4 . 1461 . 1 1 7 LEU CB C 1.342 -1.573 1.250 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CB . . . . . . . . . c30498_6e5j 1 . 4 . 1462 . 1 1 7 LEU CD1 C 0.987 -1.469 3.741 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CD1 . . . . . . . . . c30498_6e5j 1 . 4 . 1463 . 1 1 7 LEU CD2 C 3.274 -1.923 2.851 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CD2 . . . . . . . . . c30498_6e5j 1 . 4 . 1464 . 1 1 7 LEU CG C 1.960 -1.194 2.607 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CG . . . . . . . . . c30498_6e5j 1 . 4 . 1465 . 1 1 7 LEU H H 2.967 -3.339 0.316 . . . 1.0 . . . . . . . . . . . . A . 7 LEU H . . . . . . . . . c30498_6e5j 1 . 4 . 1466 . 1 1 7 LEU HA H 0.627 -3.457 1.973 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HA . . . . . . . . . c30498_6e5j 1 . 4 . 1467 . 1 1 7 LEU HB2 H 2.032 -1.278 0.474 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HB2 . . . . . . . . . c30498_6e5j 1 . 4 . 1468 . 1 1 7 LEU HB3 H 0.433 -1.005 1.126 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HB3 . . . . . . . . . c30498_6e5j 1 . 4 . 1469 . 1 1 7 LEU HD11 H 0.069 -0.930 3.564 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD11 . . . . . . . . . c30498_6e5j 1 . 4 . 1470 . 1 1 7 LEU HD12 H 1.422 -1.141 4.674 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD12 . . . . . . . . . c30498_6e5j 1 . 4 . 1471 . 1 1 7 LEU HD13 H 0.781 -2.528 3.792 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD13 . . . . . . . . . c30498_6e5j 1 . 4 . 1472 . 1 1 7 LEU HD21 H 3.673 -1.633 3.812 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD21 . . . . . . . . . c30498_6e5j 1 . 4 . 1473 . 1 1 7 LEU HD22 H 3.979 -1.664 2.075 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD22 . . . . . . . . . c30498_6e5j 1 . 4 . 1474 . 1 1 7 LEU HD23 H 3.100 -2.989 2.839 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD23 . . . . . . . . . c30498_6e5j 1 . 4 . 1475 . 1 1 7 LEU HG H 2.168 -0.133 2.606 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HG . . . . . . . . . c30498_6e5j 1 . 4 . 1476 . 1 1 7 LEU N N 2.197 -3.814 0.703 . . . 1.0 . . . . . . . . . . . . A . 7 LEU N . . . . . . . . . c30498_6e5j 1 . 4 . 1477 . 1 1 7 LEU O O -1.231 -3.467 0.310 . . . 1.0 . . . . . . . . . . . . A . 7 LEU O . . . . . . . . . c30498_6e5j 1 . 4 . 1478 . 1 1 8 LYS C C -1.376 -4.464 -2.412 . . . 1.0 . . . . . . . . . . . . A . 8 LYS C . . . . . . . . . c30498_6e5j 1 . 4 . 1479 . 1 1 8 LYS CA C -0.695 -3.101 -2.373 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CA . . . . . . . . . c30498_6e5j 1 . 4 . 1480 . 1 1 8 LYS CB C -0.063 -2.772 -3.729 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CB . . . . . . . . . c30498_6e5j 1 . 4 . 1481 . 1 1 8 LYS CD C -0.418 -2.153 -6.138 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CD . . . . . . . . . c30498_6e5j 1 . 4 . 1482 . 1 1 8 LYS CE C -1.445 -1.897 -7.233 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CE . . . . . . . . . c30498_6e5j 1 . 4 . 1483 . 1 1 8 LYS CG C -1.081 -2.571 -4.837 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CG . . . . . . . . . c30498_6e5j 1 . 4 . 1484 . 1 1 8 LYS H H 1.241 -2.935 -1.524 . . . 1.0 . . . . . . . . . . . . A . 8 LYS H . . . . . . . . . c30498_6e5j 1 . 4 . 1485 . 1 1 8 LYS HA H -1.441 -2.356 -2.148 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HA . . . . . . . . . c30498_6e5j 1 . 4 . 1486 . 1 1 8 LYS HB2 H 0.518 -1.867 -3.633 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB2 . . . . . . . . . c30498_6e5j 1 . 4 . 1487 . 1 1 8 LYS HB3 H 0.593 -3.582 -4.015 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB3 . . . . . . . . . c30498_6e5j 1 . 4 . 1488 . 1 1 8 LYS HD2 H 0.145 -1.248 -5.969 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD2 . . . . . . . . . c30498_6e5j 1 . 4 . 1489 . 1 1 8 LYS HD3 H 0.249 -2.939 -6.460 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD3 . . . . . . . . . c30498_6e5j 1 . 4 . 1490 . 1 1 8 LYS HE2 H -2.131 -1.137 -6.891 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE2 . . . . . . . . . c30498_6e5j 1 . 4 . 1491 . 1 1 8 LYS HE3 H -0.930 -1.544 -8.115 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE3 . . . . . . . . . c30498_6e5j 1 . 4 . 1492 . 1 1 8 LYS HG2 H -1.609 -3.497 -4.996 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG2 . . . . . . . . . c30498_6e5j 1 . 4 . 1493 . 1 1 8 LYS HG3 H -1.778 -1.803 -4.535 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG3 . . . . . . . . . c30498_6e5j 1 . 4 . 1494 . 1 1 8 LYS HZ1 H -1.572 -3.872 -7.901 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ1 . . . . . . . . . c30498_6e5j 1 . 4 . 1495 . 1 1 8 LYS HZ2 H -2.892 -2.915 -8.341 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ2 . . . . . . . . . c30498_6e5j 1 . 4 . 1496 . 1 1 8 LYS HZ3 H -2.742 -3.464 -6.751 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ3 . . . . . . . . . c30498_6e5j 1 . 4 . 1497 . 1 1 8 LYS N N 0.293 -3.061 -1.299 . . . 1.0 . . . . . . . . . . . . A . 8 LYS N . . . . . . . . . c30498_6e5j 1 . 4 . 1498 . 1 1 8 LYS NZ N -2.215 -3.121 -7.580 . . . 1.0 . . . . . . . . . . . . A . 8 LYS NZ . . . . . . . . . c30498_6e5j 1 . 4 . 1499 . 1 1 8 LYS O O -2.600 -4.554 -2.482 . . . 1.0 . . . . . . . . . . . . A . 8 LYS O . . . . . . . . . c30498_6e5j 1 . 4 . 1500 . 1 1 9 B3K C C -1.097 -8.265 -0.278 . . . 1.0 . . . . . . . . . . . . A . 9 B3K C . . . . . . . . . c30498_6e5j 1 . 4 . 1501 . 1 1 9 B3K CA C -0.317 -7.799 -1.483 . . . 1.0 . . . . . . . . . . . . A . 9 B3K CA . . . . . . . . . c30498_6e5j 1 . 4 . 1502 . 1 1 9 B3K CB C -1.142 -6.859 -2.358 . . . 1.0 . . . . . . . . . . . . A . 9 B3K CB . . . . . . . . . c30498_6e5j 1 . 4 . 1503 . 1 1 9 B3K CD C 0.101 -7.437 -4.535 . . . 1.0 . . . . . . . . . . . . A . 9 B3K CD . . . . . . . . . c30498_6e5j 1 . 4 . 1504 . 1 1 9 B3K CE C -0.067 -7.994 -5.939 . . . 1.0 . . . . . . . . . . . . A . 9 B3K CE . . . . . . . . . c30498_6e5j 1 . 4 . 1505 . 1 1 9 B3K CF C 1.245 -7.990 -6.704 . . . 1.0 . . . . . . . . . . . . A . 9 B3K CF . . . . . . . . . c30498_6e5j 1 . 4 . 1506 . 1 1 9 B3K CG C -1.219 -7.438 -3.779 . . . 1.0 . . . . . . . . . . . . A . 9 B3K CG . . . . . . . . . c30498_6e5j 1 . 4 . 1507 . 1 1 9 B3K H H 0.393 -5.402 -2.363 . . . 1.0 . . . . . . . . . . . . A . 9 B3K H . . . . . . . . . c30498_6e5j 1 . 4 . 1508 . 1 1 9 B3K HA1 H -0.030 -8.661 -2.065 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HA1 . . . . . . . . . c30498_6e5j 1 . 4 . 1509 . 1 1 9 B3K HA2 H 0.566 -7.286 -1.139 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HA2 . . . . . . . . . c30498_6e5j 1 . 4 . 1510 . 1 1 9 B3K HB H -2.145 -6.762 -1.919 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HB . . . . . . . . . c30498_6e5j 1 . 4 . 1511 . 1 1 9 B3K HD2 H 0.813 -8.044 -3.998 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HD2 . . . . . . . . . c30498_6e5j 1 . 4 . 1512 . 1 1 9 B3K HD3 H 0.467 -6.423 -4.604 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HD3 . . . . . . . . . c30498_6e5j 1 . 4 . 1513 . 1 1 9 B3K HE2 H -0.786 -7.389 -6.472 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HE2 . . . . . . . . . c30498_6e5j 1 . 4 . 1514 . 1 1 9 B3K HE3 H -0.427 -9.008 -5.871 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HE3 . . . . . . . . . c30498_6e5j 1 . 4 . 1515 . 1 1 9 B3K HF1 H 1.092 -8.474 -7.657 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HF1 . . . . . . . . . c30498_6e5j 1 . 4 . 1516 . 1 1 9 B3K HF2 H 1.978 -8.543 -6.136 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HF2 . . . . . . . . . c30498_6e5j 1 . 4 . 1517 . 1 1 9 B3K HG2 H -1.932 -6.859 -4.348 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HG2 . . . . . . . . . c30498_6e5j 1 . 4 . 1518 . 1 1 9 B3K HG3 H -1.569 -8.456 -3.719 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HG3 . . . . . . . . . c30498_6e5j 1 . 4 . 1519 . 1 1 9 B3K HNZ1 H 2.672 -6.652 -7.438 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HNZ1 . . . . . . . . . c30498_6e5j 1 . 4 . 1520 . 1 1 9 B3K HNZ2 H 1.894 -6.118 -6.037 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HNZ2 . . . . . . . . . c30498_6e5j 1 . 4 . 1521 . 1 1 9 B3K N N -0.585 -5.525 -2.375 . . . 1.0 . . . . . . . . . . . . A . 9 B3K N . . . . . . . . . c30498_6e5j 1 . 4 . 1522 . 1 1 9 B3K NZ N 1.758 -6.612 -6.939 . . . 1.0 . . . . . . . . . . . . A . 9 B3K NZ . . . . . . . . . c30498_6e5j 1 . 4 . 1523 . 1 1 9 B3K O O -1.819 -9.265 -0.329 . . . 1.0 . . . . . . . . . . . . A . 9 B3K O . . . . . . . . . c30498_6e5j 1 . 4 . 1524 . 1 1 10 ARG C C -3.124 -7.230 1.886 . . . 1.0 . . . . . . . . . . . . A . 10 ARG C . . . . . . . . . c30498_6e5j 1 . 4 . 1525 . 1 1 10 ARG CA C -1.710 -7.782 2.026 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CA . . . . . . . . . c30498_6e5j 1 . 4 . 1526 . 1 1 10 ARG CB C -1.013 -7.147 3.232 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CB . . . . . . . . . c30498_6e5j 1 . 4 . 1527 . 1 1 10 ARG CD C -2.068 -8.690 4.924 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CD . . . . . . . . . c30498_6e5j 1 . 4 . 1528 . 1 1 10 ARG CG C -1.805 -7.245 4.526 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CG . . . . . . . . . c30498_6e5j 1 . 4 . 1529 . 1 1 10 ARG CZ C -3.580 -9.822 6.515 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CZ . . . . . . . . . c30498_6e5j 1 . 4 . 1530 . 1 1 10 ARG H H -0.282 -6.801 0.819 . . . 1.0 . . . . . . . . . . . . A . 10 ARG H . . . . . . . . . c30498_6e5j 1 . 4 . 1531 . 1 1 10 ARG HA H -1.766 -8.848 2.170 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HA . . . . . . . . . c30498_6e5j 1 . 4 . 1532 . 1 1 10 ARG HB2 H -0.063 -7.634 3.381 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HB2 . . . . . . . . . c30498_6e5j 1 . 4 . 1533 . 1 1 10 ARG HB3 H -0.841 -6.102 3.024 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HB3 . . . . . . . . . c30498_6e5j 1 . 4 . 1534 . 1 1 10 ARG HD2 H -2.634 -9.169 4.139 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HD2 . . . . . . . . . c30498_6e5j 1 . 4 . 1535 . 1 1 10 ARG HD3 H -1.121 -9.196 5.044 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HD3 . . . . . . . . . c30498_6e5j 1 . 4 . 1536 . 1 1 10 ARG HE H -2.749 -8.024 6.802 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HE . . . . . . . . . c30498_6e5j 1 . 4 . 1537 . 1 1 10 ARG HG2 H -1.248 -6.762 5.313 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HG2 . . . . . . . . . c30498_6e5j 1 . 4 . 1538 . 1 1 10 ARG HG3 H -2.751 -6.742 4.389 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HG3 . . . . . . . . . c30498_6e5j 1 . 4 . 1539 . 1 1 10 ARG HH11 H -4.268 -11.645 5.955 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH11 . . . . . . . . . c30498_6e5j 1 . 4 . 1540 . 1 1 10 ARG HH12 H -3.202 -10.876 4.823 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH12 . . . . . . . . . c30498_6e5j 1 . 4 . 1541 . 1 1 10 ARG HH21 H -4.804 -10.597 7.934 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH21 . . . . . . . . . c30498_6e5j 1 . 4 . 1542 . 1 1 10 ARG HH22 H -4.153 -9.029 8.292 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH22 . . . . . . . . . c30498_6e5j 1 . 4 . 1543 . 1 1 10 ARG N N -0.945 -7.529 0.818 . . . 1.0 . . . . . . . . . . . . A . 10 ARG N . . . . . . . . . c30498_6e5j 1 . 4 . 1544 . 1 1 10 ARG NE N -2.819 -8.783 6.177 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NE . . . . . . . . . c30498_6e5j 1 . 4 . 1545 . 1 1 10 ARG NH1 N -3.693 -10.863 5.698 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NH1 . . . . . . . . . c30498_6e5j 1 . 4 . 1546 . 1 1 10 ARG NH2 N -4.230 -9.817 7.673 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NH2 . . . . . . . . . c30498_6e5j 1 . 4 . 1547 . 1 1 10 ARG O O -4.100 -7.901 2.216 . . . 1.0 . . . . . . . . . . . . A . 10 ARG O . . . . . . . . . c30498_6e5j 1 . 4 . 1548 . 1 1 11 TYR C C -5.187 -5.608 -0.068 . . . 1.0 . . . . . . . . . . . . A . 11 TYR C . . . . . . . . . c30498_6e5j 1 . 4 . 1549 . 1 1 11 TYR CA C -4.503 -5.327 1.266 . . . 1.0 . . . . . . . . . . . . A . 11 TYR CA . . . . . . . . . c30498_6e5j 1 . 4 . 1550 . 1 1 11 TYR CB C -4.293 -3.827 1.446 . . . 1.0 . . . . . . . . . . . . A . 11 TYR CB . . . . . . . . . c30498_6e5j 1 . 4 . 1551 . 1 1 11 TYR CD1 C -4.818 -3.507 3.888 . . . 1.0 . . . . . . . . . . . . A . 11 TYR CD1 . . . . . . . . . c30498_6e5j 1 . 4 . 1552 . 1 1 11 TYR CD2 C -2.618 -2.986 3.136 . . . 1.0 . . . . . . . . . . . . A . 11 TYR CD2 . . . . . . . . . c30498_6e5j 1 . 4 . 1553 . 1 1 11 TYR CE1 C -4.472 -3.140 5.172 . . . 1.0 . . . . . . . . . . . . A . 11 TYR CE1 . . . . . . . . . c30498_6e5j 1 . 4 . 1554 . 1 1 11 TYR CE2 C -2.263 -2.619 4.419 . . . 1.0 . . . . . . . . . . . . A . 11 TYR CE2 . . . . . . . . . c30498_6e5j 1 . 4 . 1555 . 1 1 11 TYR CG C -3.899 -3.436 2.850 . . . 1.0 . . . . . . . . . . . . A . 11 TYR CG . . . . . . . . . c30498_6e5j 1 . 4 . 1556 . 1 1 11 TYR CZ C -3.194 -2.697 5.433 . . . 1.0 . . . . . . . . . . . . A . 11 TYR CZ . . . . . . . . . c30498_6e5j 1 . 4 . 1557 . 1 1 11 TYR H H -2.420 -5.575 1.025 . . . 1.0 . . . . . . . . . . . . A . 11 TYR H . . . . . . . . . c30498_6e5j 1 . 4 . 1558 . 1 1 11 TYR HA H -5.134 -5.689 2.063 . . . 1.0 . . . . . . . . . . . . A . 11 TYR HA . . . . . . . . . c30498_6e5j 1 . 4 . 1559 . 1 1 11 TYR HB2 H -3.510 -3.499 0.780 . . . 1.0 . . . . . . . . . . . . A . 11 TYR HB2 . . . . . . . . . c30498_6e5j 1 . 4 . 1560 . 1 1 11 TYR HB3 H -5.206 -3.312 1.200 . . . 1.0 . . . . . . . . . . . . A . 11 TYR HB3 . . . . . . . . . c30498_6e5j 1 . 4 . 1561 . 1 1 11 TYR HD1 H -5.819 -3.856 3.680 . . . 1.0 . . . . . . . . . . . . A . 11 TYR HD1 . . . . . . . . . c30498_6e5j 1 . 4 . 1562 . 1 1 11 TYR HD2 H -1.891 -2.926 2.338 . . . 1.0 . . . . . . . . . . . . A . 11 TYR HD2 . . . . . . . . . c30498_6e5j 1 . 4 . 1563 . 1 1 11 TYR HE1 H -5.200 -3.203 5.965 . . . 1.0 . . . . . . . . . . . . A . 11 TYR HE1 . . . . . . . . . c30498_6e5j 1 . 4 . 1564 . 1 1 11 TYR HE2 H -1.261 -2.272 4.623 . . . 1.0 . . . . . . . . . . . . A . 11 TYR HE2 . . . . . . . . . c30498_6e5j 1 . 4 . 1565 . 1 1 11 TYR HH H -2.496 -1.430 6.707 . . . 1.0 . . . . . . . . . . . . A . 11 TYR HH . . . . . . . . . c30498_6e5j 1 . 4 . 1566 . 1 1 11 TYR N N -3.225 -6.018 1.364 . . . 1.0 . . . . . . . . . . . . A . 11 TYR N . . . . . . . . . c30498_6e5j 1 . 4 . 1567 . 1 1 11 TYR O O -5.797 -4.719 -0.666 . . . 1.0 . . . . . . . . . . . . A . 11 TYR O . . . . . . . . . c30498_6e5j 1 . 4 . 1568 . 1 1 11 TYR OH O -2.846 -2.330 6.714 . . . 1.0 . . . . . . . . . . . . A . 11 TYR OH . . . . . . . . . c30498_6e5j 1 . 4 . 1569 . 1 1 12 ABA C C -7.176 -6.920 -1.857 . . . 1.0 . . . . . . . . . . . . A . 12 AIB C . . . . . . . . . c30498_6e5j 1 . 4 . 1570 . 1 1 12 ABA CA C -5.695 -7.316 -1.771 . . . 1.0 . . . . . . . . . . . . A . 12 AIB CA . . . . . . . . . c30498_6e5j 1 . 4 . 1571 . 1 1 12 ABA H H -4.638 -7.519 0.060 . . . 1.0 . . . . . . . . . . . . A . 12 AIB H . . . . . . . . . c30498_6e5j 1 . 4 . 1572 . 1 1 12 ABA N N -5.109 -6.865 -0.500 . . . 1.0 . . . . . . . . . . . . A . 12 AIB N . . . . . . . . . c30498_6e5j 1 . 4 . 1573 . 1 1 12 ABA O O -7.671 -6.557 -2.927 . . . 1.0 . . . . . . . . . . . . A . 12 AIB O . . . . . . . . . c30498_6e5j 1 . 4 . 1574 . 1 1 13 GLY C C -9.637 -5.267 -0.385 . . . 1.0 . . . . . . . . . . . . A . 13 GLY C . . . . . . . . . c30498_6e5j 1 . 4 . 1575 . 1 1 13 GLY CA C -9.297 -6.709 -0.716 . . . 1.0 . . . . . . . . . . . . A . 13 GLY CA . . . . . . . . . c30498_6e5j 1 . 4 . 1576 . 1 1 13 GLY H H -7.411 -7.200 0.111 . . . 1.0 . . . . . . . . . . . . A . 13 GLY H . . . . . . . . . c30498_6e5j 1 . 4 . 1577 . 1 1 13 GLY HA2 H -9.698 -6.943 -1.690 . . . 1.0 . . . . . . . . . . . . A . 13 GLY HA2 . . . . . . . . . c30498_6e5j 1 . 4 . 1578 . 1 1 13 GLY HA3 H -9.764 -7.352 0.013 . . . 1.0 . . . . . . . . . . . . A . 13 GLY HA3 . . . . . . . . . c30498_6e5j 1 . 4 . 1579 . 1 1 13 GLY N N -7.872 -6.976 -0.726 . . . 1.0 . . . . . . . . . . . . A . 13 GLY N . . . . . . . . . c30498_6e5j 1 . 4 . 1580 . 1 1 13 GLY O O -10.798 -4.944 -0.129 . . . 1.0 . . . . . . . . . . . . A . 13 GLY O . . . . . . . . . c30498_6e5j 1 . 4 . 1581 . 1 1 14 CYS C C -8.370 -2.142 -1.278 . . . 1.0 . . . . . . . . . . . . A . 14 CYS C . . . . . . . . . c30498_6e5j 1 . 4 . 1582 . 1 1 14 CYS CA C -8.852 -2.986 -0.109 . . . 1.0 . . . . . . . . . . . . A . 14 CYS CA . . . . . . . . . c30498_6e5j 1 . 4 . 1583 . 1 1 14 CYS CB C -8.095 -2.576 1.154 . . . 1.0 . . . . . . . . . . . . A . 14 CYS CB . . . . . . . . . c30498_6e5j 1 . 4 . 1584 . 1 1 14 CYS H H -7.728 -4.714 -0.590 . . . 1.0 . . . . . . . . . . . . A . 14 CYS H . . . . . . . . . c30498_6e5j 1 . 4 . 1585 . 1 1 14 CYS HA H -9.909 -2.823 0.035 . . . 1.0 . . . . . . . . . . . . A . 14 CYS HA . . . . . . . . . c30498_6e5j 1 . 4 . 1586 . 1 1 14 CYS HB2 H -7.041 -2.717 0.988 . . . 1.0 . . . . . . . . . . . . A . 14 CYS HB2 . . . . . . . . . c30498_6e5j 1 . 4 . 1587 . 1 1 14 CYS HB3 H -8.284 -1.532 1.353 . . . 1.0 . . . . . . . . . . . . A . 14 CYS HB3 . . . . . . . . . c30498_6e5j 1 . 4 . 1588 . 1 1 14 CYS N N -8.638 -4.400 -0.388 . . . 1.0 . . . . . . . . . . . . A . 14 CYS N . . . . . . . . . c30498_6e5j 1 . 4 . 1589 . 1 1 14 CYS O O -7.687 -2.643 -2.170 . . . 1.0 . . . . . . . . . . . . A . 14 CYS O . . . . . . . . . c30498_6e5j 1 . 4 . 1590 . 1 1 14 CYS SG S -8.551 -3.514 2.648 . . . 1.0 . . . . . . . . . . . . A . 14 CYS SG . . . . . . . . . c30498_6e5j 1 . 4 . 1591 . 1 1 15 GLU C C -6.903 0.622 -1.792 . . . 1.0 . . . . . . . . . . . . A . 15 GLU C . . . . . . . . . c30498_6e5j 1 . 4 . 1592 . 1 1 15 GLU CA C -8.229 0.059 -2.278 . . . 1.0 . . . . . . . . . . . . A . 15 GLU CA . . . . . . . . . c30498_6e5j 1 . 4 . 1593 . 1 1 15 GLU CB C -9.227 1.189 -2.523 . . . 1.0 . . . . . . . . . . . . A . 15 GLU CB . . . . . . . . . c30498_6e5j 1 . 4 . 1594 . 1 1 15 GLU CD C -10.525 -0.195 -4.187 . . . 1.0 . . . . . . . . . . . . A . 15 GLU CD . . . . . . . . . c30498_6e5j 1 . 4 . 1595 . 1 1 15 GLU CG C -10.592 0.699 -2.967 . . . 1.0 . . . . . . . . . . . . A . 15 GLU CG . . . . . . . . . c30498_6e5j 1 . 4 . 1596 . 1 1 15 GLU H H -9.351 -0.539 -0.586 . . . 1.0 . . . . . . . . . . . . A . 15 GLU H . . . . . . . . . c30498_6e5j 1 . 4 . 1597 . 1 1 15 GLU HA H -8.072 -0.487 -3.196 . . . 1.0 . . . . . . . . . . . . A . 15 GLU HA . . . . . . . . . c30498_6e5j 1 . 4 . 1598 . 1 1 15 GLU HB2 H -9.348 1.754 -1.608 . . . 1.0 . . . . . . . . . . . . A . 15 GLU HB2 . . . . . . . . . c30498_6e5j 1 . 4 . 1599 . 1 1 15 GLU HB3 H -8.835 1.841 -3.289 . . . 1.0 . . . . . . . . . . . . A . 15 GLU HB3 . . . . . . . . . c30498_6e5j 1 . 4 . 1600 . 1 1 15 GLU HG2 H -11.038 0.144 -2.158 . . . 1.0 . . . . . . . . . . . . A . 15 GLU HG2 . . . . . . . . . c30498_6e5j 1 . 4 . 1601 . 1 1 15 GLU HG3 H -11.208 1.554 -3.196 . . . 1.0 . . . . . . . . . . . . A . 15 GLU HG3 . . . . . . . . . c30498_6e5j 1 . 4 . 1602 . 1 1 15 GLU N N -8.735 -0.868 -1.280 . . . 1.0 . . . . . . . . . . . . A . 15 GLU N . . . . . . . . . c30498_6e5j 1 . 4 . 1603 . 1 1 15 GLU O O -6.867 1.343 -0.803 . . . 1.0 . . . . . . . . . . . . A . 15 GLU O . . . . . . . . . c30498_6e5j 1 . 4 . 1604 . 1 1 15 GLU OE1 O -10.448 0.332 -5.316 . . . 1.0 . . . . . . . . . . . . A . 15 GLU OE1 . . . . . . . . . c30498_6e5j 1 . 4 . 1605 . 1 1 15 GLU OE2 O -10.560 -1.434 -4.024 . . . 1.0 . . . . . . . . . . . . A . 15 GLU OE2 . . . . . . . . . c30498_6e5j 1 . 4 . 1606 . 1 1 16 MVA C C -3.454 1.131 -2.950 . . . 1.0 . . . . . . . . . . . . A . 16 MVA C . . . . . . . . . c30498_6e5j 1 . 4 . 1607 . 1 1 16 MVA CA C -4.469 0.655 -1.906 . . . 1.0 . . . . . . . . . . . . A . 16 MVA CA . . . . . . . . . c30498_6e5j 1 . 4 . 1608 . 1 1 16 MVA CB C -3.866 -0.527 -1.089 . . . 1.0 . . . . . . . . . . . . A . 16 MVA CB . . . . . . . . . c30498_6e5j 1 . 4 . 1609 . 1 1 16 MVA CG1 C -3.855 -1.817 -1.885 . . . 1.0 . . . . . . . . . . . . A . 16 MVA CG1 . . . . . . . . . c30498_6e5j 1 . 4 . 1610 . 1 1 16 MVA CG2 C -2.459 -0.196 -0.604 . . . 1.0 . . . . . . . . . . . . A . 16 MVA CG2 . . . . . . . . . c30498_6e5j 1 . 4 . 1611 . 1 1 16 MVA CN C -5.917 -0.338 -3.793 . . . 1.0 . . . . . . . . . . . . A . 16 MVA CN . . . . . . . . . c30498_6e5j 1 . 4 . 1612 . 1 1 16 MVA HA H -4.597 1.470 -1.207 . . . 1.0 . . . . . . . . . . . . A . 16 MVA HA . . . . . . . . . c30498_6e5j 1 . 4 . 1613 . 1 1 16 MVA HB H -4.487 -0.681 -0.219 . . . 1.0 . . . . . . . . . . . . A . 16 MVA HB . . . . . . . . . c30498_6e5j 1 . 4 . 1614 . 1 1 16 MVA HG11 H -3.318 -1.663 -2.810 . . . 1.0 . . . . . . . . . . . . A . 16 MVA HG11 . . . . . . . . . c30498_6e5j 1 . 4 . 1615 . 1 1 16 MVA HG12 H -4.870 -2.114 -2.104 . . . 1.0 . . . . . . . . . . . . A . 16 MVA HG12 . . . . . . . . . c30498_6e5j 1 . 4 . 1616 . 1 1 16 MVA HG13 H -3.370 -2.589 -1.311 . . . 1.0 . . . . . . . . . . . . A . 16 MVA HG13 . . . . . . . . . c30498_6e5j 1 . 4 . 1617 . 1 1 16 MVA HG21 H -2.077 -1.019 -0.017 . . . 1.0 . . . . . . . . . . . . A . 16 MVA HG21 . . . . . . . . . c30498_6e5j 1 . 4 . 1618 . 1 1 16 MVA HG22 H -2.484 0.699 0.002 . . . 1.0 . . . . . . . . . . . . A . 16 MVA HG22 . . . . . . . . . c30498_6e5j 1 . 4 . 1619 . 1 1 16 MVA HG23 H -1.814 -0.034 -1.456 . . . 1.0 . . . . . . . . . . . . A . 16 MVA HG23 . . . . . . . . . c30498_6e5j 1 . 4 . 1620 . 1 1 16 MVA HN1 H -4.943 -0.401 -4.253 . . . 1.0 . . . . . . . . . . . . A . 16 MVA HN1 . . . . . . . . . c30498_6e5j 1 . 4 . 1621 . 1 1 16 MVA HN2 H -6.575 0.245 -4.420 . . . 1.0 . . . . . . . . . . . . A . 16 MVA HN2 . . . . . . . . . c30498_6e5j 1 . 4 . 1622 . 1 1 16 MVA HN3 H -6.320 -1.333 -3.674 . . . 1.0 . . . . . . . . . . . . A . 16 MVA HN3 . . . . . . . . . c30498_6e5j 1 . 4 . 1623 . 1 1 16 MVA N N -5.794 0.309 -2.467 . . . 1.0 . . . . . . . . . . . . A . 16 MVA N . . . . . . . . . c30498_6e5j 1 . 4 . 1624 . 1 1 16 MVA O O -3.158 0.457 -3.943 . . . 1.0 . . . . . . . . . . . . A . 16 MVA O . . . . . . . . . c30498_6e5j 1 . 4 . 1625 . 1 1 17 ARG C C -0.598 3.041 -2.793 . . . 1.0 . . . . . . . . . . . . A . 17 ARG C . . . . . . . . . c30498_6e5j 1 . 4 . 1626 . 1 1 17 ARG CA C -1.910 2.908 -3.549 . . . 1.0 . . . . . . . . . . . . A . 17 ARG CA . . . . . . . . . c30498_6e5j 1 . 4 . 1627 . 1 1 17 ARG CB C -2.365 4.286 -4.017 . . . 1.0 . . . . . . . . . . . . A . 17 ARG CB . . . . . . . . . c30498_6e5j 1 . 4 . 1628 . 1 1 17 ARG CD C -4.053 5.687 -5.223 . . . 1.0 . . . . . . . . . . . . A . 17 ARG CD . . . . . . . . . c30498_6e5j 1 . 4 . 1629 . 1 1 17 ARG CG C -3.647 4.275 -4.831 . . . 1.0 . . . . . . . . . . . . A . 17 ARG CG . . . . . . . . . c30498_6e5j 1 . 4 . 1630 . 1 1 17 ARG CZ C -2.269 7.376 -5.501 . . . 1.0 . . . . . . . . . . . . A . 17 ARG CZ . . . . . . . . . c30498_6e5j 1 . 4 . 1631 . 1 1 17 ARG H H -3.193 2.792 -1.880 . . . 1.0 . . . . . . . . . . . . A . 17 ARG H . . . . . . . . . c30498_6e5j 1 . 4 . 1632 . 1 1 17 ARG HA H -1.764 2.266 -4.404 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HA . . . . . . . . . c30498_6e5j 1 . 4 . 1633 . 1 1 17 ARG HB2 H -2.519 4.910 -3.151 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HB2 . . . . . . . . . c30498_6e5j 1 . 4 . 1634 . 1 1 17 ARG HB3 H -1.584 4.720 -4.624 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HB3 . . . . . . . . . c30498_6e5j 1 . 4 . 1635 . 1 1 17 ARG HD2 H -4.945 5.638 -5.831 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HD2 . . . . . . . . . c30498_6e5j 1 . 4 . 1636 . 1 1 17 ARG HD3 H -4.263 6.251 -4.325 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HD3 . . . . . . . . . c30498_6e5j 1 . 4 . 1637 . 1 1 17 ARG HE H -2.827 6.049 -6.895 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HE . . . . . . . . . c30498_6e5j 1 . 4 . 1638 . 1 1 17 ARG HG2 H -3.492 3.692 -5.725 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HG2 . . . . . . . . . c30498_6e5j 1 . 4 . 1639 . 1 1 17 ARG HG3 H -4.435 3.832 -4.239 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HG3 . . . . . . . . . c30498_6e5j 1 . 4 . 1640 . 1 1 17 ARG HH11 H -3.170 7.421 -3.686 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HH11 . . . . . . . . . c30498_6e5j 1 . 4 . 1641 . 1 1 17 ARG HH12 H -1.913 8.591 -3.915 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HH12 . . . . . . . . . c30498_6e5j 1 . 4 . 1642 . 1 1 17 ARG HH21 H -0.775 8.682 -5.904 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HH21 . . . . . . . . . c30498_6e5j 1 . 4 . 1643 . 1 1 17 ARG HH22 H -1.165 7.578 -7.184 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HH22 . . . . . . . . . c30498_6e5j 1 . 4 . 1644 . 1 1 17 ARG N N -2.915 2.310 -2.695 . . . 1.0 . . . . . . . . . . . . A . 17 ARG N . . . . . . . . . c30498_6e5j 1 . 4 . 1645 . 1 1 17 ARG NE N -3.000 6.367 -5.977 . . . 1.0 . . . . . . . . . . . . A . 17 ARG NE . . . . . . . . . c30498_6e5j 1 . 4 . 1646 . 1 1 17 ARG NH1 N -2.468 7.831 -4.269 . . . 1.0 . . . . . . . . . . . . A . 17 ARG NH1 . . . . . . . . . c30498_6e5j 1 . 4 . 1647 . 1 1 17 ARG NH2 N -1.330 7.923 -6.257 . . . 1.0 . . . . . . . . . . . . A . 17 ARG NH2 . . . . . . . . . c30498_6e5j 1 . 4 . 1648 . 1 1 17 ARG O O -0.588 3.304 -1.591 . . . 1.0 . . . . . . . . . . . . A . 17 ARG O . . . . . . . . . c30498_6e5j 1 . 4 . 1649 . 1 1 18 CYS C C 2.569 4.147 -3.572 . . . 1.0 . . . . . . . . . . . . A . 18 CYS C . . . . . . . . . c30498_6e5j 1 . 4 . 1650 . 1 1 18 CYS CA C 1.811 3.020 -2.888 . . . 1.0 . . . . . . . . . . . . A . 18 CYS CA . . . . . . . . . c30498_6e5j 1 . 4 . 1651 . 1 1 18 CYS CB C 2.608 1.722 -2.979 . . . 1.0 . . . . . . . . . . . . A . 18 CYS CB . . . . . . . . . c30498_6e5j 1 . 4 . 1652 . 1 1 18 CYS H H 0.436 2.628 -4.444 . . . 1.0 . . . . . . . . . . . . A . 18 CYS H . . . . . . . . . c30498_6e5j 1 . 4 . 1653 . 1 1 18 CYS HA H 1.665 3.271 -1.848 . . . 1.0 . . . . . . . . . . . . A . 18 CYS HA . . . . . . . . . c30498_6e5j 1 . 4 . 1654 . 1 1 18 CYS HB2 H 2.032 0.925 -2.532 . . . 1.0 . . . . . . . . . . . . A . 18 CYS HB2 . . . . . . . . . c30498_6e5j 1 . 4 . 1655 . 1 1 18 CYS HB3 H 2.788 1.491 -4.018 . . . 1.0 . . . . . . . . . . . . A . 18 CYS HB3 . . . . . . . . . c30498_6e5j 1 . 4 . 1656 . 1 1 18 CYS N N 0.503 2.863 -3.494 . . . 1.0 . . . . . . . . . . . . A . 18 CYS N . . . . . . . . . c30498_6e5j 1 . 4 . 1657 . 1 1 18 CYS O O 2.676 4.180 -4.798 . . . 1.0 . . . . . . . . . . . . A . 18 CYS O . . . . . . . . . c30498_6e5j 1 . 4 . 1658 . 1 1 18 CYS SG S 4.225 1.786 -2.135 . . . 1.0 . . . . . . . . . . . . A . 18 CYS SG . . . . . . . . . c30498_6e5j 1 . 4 . 1659 . 1 1 19 ASP C C 5.161 6.298 -2.555 . . . 1.0 . . . . . . . . . . . . A . 19 ASP C . . . . . . . . . c30498_6e5j 1 . 4 . 1660 . 1 1 19 ASP CA C 3.844 6.192 -3.308 . . . 1.0 . . . . . . . . . . . . A . 19 ASP CA . . . . . . . . . c30498_6e5j 1 . 4 . 1661 . 1 1 19 ASP CB C 3.050 7.494 -3.177 . . . 1.0 . . . . . . . . . . . . A . 19 ASP CB . . . . . . . . . c30498_6e5j 1 . 4 . 1662 . 1 1 19 ASP CG C 3.599 8.605 -4.053 . . . 1.0 . . . . . . . . . . . . A . 19 ASP CG . . . . . . . . . c30498_6e5j 1 . 4 . 1663 . 1 1 19 ASP H H 2.959 4.997 -1.808 . . . 1.0 . . . . . . . . . . . . A . 19 ASP H . . . . . . . . . c30498_6e5j 1 . 4 . 1664 . 1 1 19 ASP HA H 4.046 5.999 -4.351 . . . 1.0 . . . . . . . . . . . . A . 19 ASP HA . . . . . . . . . c30498_6e5j 1 . 4 . 1665 . 1 1 19 ASP HB2 H 2.025 7.312 -3.461 . . . 1.0 . . . . . . . . . . . . A . 19 ASP HB2 . . . . . . . . . c30498_6e5j 1 . 4 . 1666 . 1 1 19 ASP HB3 H 3.082 7.821 -2.149 . . . 1.0 . . . . . . . . . . . . A . 19 ASP HB3 . . . . . . . . . c30498_6e5j 1 . 4 . 1667 . 1 1 19 ASP N N 3.082 5.073 -2.780 . . . 1.0 . . . . . . . . . . . . A . 19 ASP N . . . . . . . . . c30498_6e5j 1 . 4 . 1668 . 1 1 19 ASP O O 5.269 7.036 -1.571 . . . 1.0 . . . . . . . . . . . . A . 19 ASP O . . . . . . . . . c30498_6e5j 1 . 4 . 1669 . 1 1 19 ASP OD1 O 4.587 9.253 -3.643 . . . 1.0 . . . . . . . . . . . . A . 19 ASP OD1 . . . . . . . . . c30498_6e5j 1 . 4 . 1670 . 1 1 19 ASP OD2 O 3.062 8.832 -5.157 . . . 1.0 . . . . . . . . . . . . A . 19 ASP OD2 . . . . . . . . . c30498_6e5j 1 . 4 . 1671 . 1 1 20 DPR C C 7.315 5.033 -0.858 . . . 1.0 . . . . . . . . . . . . A . 20 DPR C . . . . . . . . . c30498_6e5j 1 . 4 . 1672 . 1 1 20 DPR CA C 7.467 5.469 -2.312 . . . 1.0 . . . . . . . . . . . . A . 20 DPR CA . . . . . . . . . c30498_6e5j 1 . 4 . 1673 . 1 1 20 DPR CB C 8.246 4.419 -3.102 . . . 1.0 . . . . . . . . . . . . A . 20 DPR CB . . . . . . . . . c30498_6e5j 1 . 4 . 1674 . 1 1 20 DPR CD C 6.139 4.691 -4.195 . . . 1.0 . . . . . . . . . . . . A . 20 DPR CD . . . . . . . . . c30498_6e5j 1 . 4 . 1675 . 1 1 20 DPR CG C 7.585 4.369 -4.435 . . . 1.0 . . . . . . . . . . . . A . 20 DPR CG . . . . . . . . . c30498_6e5j 1 . 4 . 1676 . 1 1 20 DPR HA H 7.992 6.408 -2.356 . . . 1.0 . . . . . . . . . . . . A . 20 DPR HA . . . . . . . . . c30498_6e5j 1 . 4 . 1677 . 1 1 20 DPR HB2 H 8.183 3.467 -2.597 . . . 1.0 . . . . . . . . . . . . A . 20 DPR HB2 . . . . . . . . . c30498_6e5j 1 . 4 . 1678 . 1 1 20 DPR HB3 H 9.278 4.722 -3.183 . . . 1.0 . . . . . . . . . . . . A . 20 DPR HB3 . . . . . . . . . c30498_6e5j 1 . 4 . 1679 . 1 1 20 DPR HD2 H 5.575 3.789 -4.013 . . . 1.0 . . . . . . . . . . . . A . 20 DPR HD2 . . . . . . . . . c30498_6e5j 1 . 4 . 1680 . 1 1 20 DPR HD3 H 5.732 5.230 -5.035 . . . 1.0 . . . . . . . . . . . . A . 20 DPR HD3 . . . . . . . . . c30498_6e5j 1 . 4 . 1681 . 1 1 20 DPR HG2 H 7.683 3.380 -4.856 . . . 1.0 . . . . . . . . . . . . A . 20 DPR HG2 . . . . . . . . . c30498_6e5j 1 . 4 . 1682 . 1 1 20 DPR HG3 H 8.028 5.102 -5.091 . . . 1.0 . . . . . . . . . . . . A . 20 DPR HG3 . . . . . . . . . c30498_6e5j 1 . 4 . 1683 . 1 1 20 DPR N N 6.174 5.539 -2.993 . . . 1.0 . . . . . . . . . . . . A . 20 DPR N . . . . . . . . . c30498_6e5j 1 . 4 . 1684 . 1 1 20 DPR O O 6.834 3.935 -0.577 . . . 1.0 . . . . . . . . . . . . A . 20 DPR O . . . . . . . . . c30498_6e5j 1 . 4 . 1685 . 1 1 21 PRO C C 6.208 5.830 2.068 . . . 1.0 . . . . . . . . . . . . A . 21 PRO C . . . . . . . . . c30498_6e5j 1 . 4 . 1686 . 1 1 21 PRO CA C 7.616 5.607 1.516 . . . 1.0 . . . . . . . . . . . . A . 21 PRO CA . . . . . . . . . c30498_6e5j 1 . 4 . 1687 . 1 1 21 PRO CB C 8.589 6.609 2.129 . . . 1.0 . . . . . . . . . . . . A . 21 PRO CB . . . . . . . . . c30498_6e5j 1 . 4 . 1688 . 1 1 21 PRO CD C 8.331 7.209 -0.172 . . . 1.0 . . . . . . . . . . . . A . 21 PRO CD . . . . . . . . . c30498_6e5j 1 . 4 . 1689 . 1 1 21 PRO CG C 8.544 7.776 1.204 . . . 1.0 . . . . . . . . . . . . A . 21 PRO CG . . . . . . . . . c30498_6e5j 1 . 4 . 1690 . 1 1 21 PRO HA H 7.937 4.603 1.742 . . . 1.0 . . . . . . . . . . . . A . 21 PRO HA . . . . . . . . . c30498_6e5j 1 . 4 . 1691 . 1 1 21 PRO HB2 H 8.258 6.877 3.122 . . . 1.0 . . . . . . . . . . . . A . 21 PRO HB2 . . . . . . . . . c30498_6e5j 1 . 4 . 1692 . 1 1 21 PRO HB3 H 9.578 6.179 2.174 . . . 1.0 . . . . . . . . . . . . A . 21 PRO HB3 . . . . . . . . . c30498_6e5j 1 . 4 . 1693 . 1 1 21 PRO HD2 H 7.666 7.838 -0.742 . . . 1.0 . . . . . . . . . . . . A . 21 PRO HD2 . . . . . . . . . c30498_6e5j 1 . 4 . 1694 . 1 1 21 PRO HD3 H 9.274 7.097 -0.683 . . . 1.0 . . . . . . . . . . . . A . 21 PRO HD3 . . . . . . . . . c30498_6e5j 1 . 4 . 1695 . 1 1 21 PRO HG2 H 7.723 8.425 1.472 . . . 1.0 . . . . . . . . . . . . A . 21 PRO HG2 . . . . . . . . . c30498_6e5j 1 . 4 . 1696 . 1 1 21 PRO HG3 H 9.478 8.316 1.246 . . . 1.0 . . . . . . . . . . . . A . 21 PRO HG3 . . . . . . . . . c30498_6e5j 1 . 4 . 1697 . 1 1 21 PRO N N 7.717 5.894 0.085 . . . 1.0 . . . . . . . . . . . . A . 21 PRO N . . . . . . . . . c30498_6e5j 1 . 4 . 1698 . 1 1 21 PRO O O 5.947 5.593 3.248 . . . 1.0 . . . . . . . . . . . . A . 21 PRO O . . . . . . . . . c30498_6e5j 1 . 4 . 1699 . 1 1 22 ARG C C 2.990 5.501 1.156 . . . 1.0 . . . . . . . . . . . . A . 22 ARG C . . . . . . . . . c30498_6e5j 1 . 4 . 1700 . 1 1 22 ARG CA C 3.942 6.581 1.638 . . . 1.0 . . . . . . . . . . . . A . 22 ARG CA . . . . . . . . . c30498_6e5j 1 . 4 . 1701 . 1 1 22 ARG CB C 3.498 7.948 1.114 . . . 1.0 . . . . . . . . . . . . A . 22 ARG CB . . . . . . . . . c30498_6e5j 1 . 4 . 1702 . 1 1 22 ARG CD C 3.955 9.192 3.248 . . . 1.0 . . . . . . . . . . . . A . 22 ARG CD . . . . . . . . . c30498_6e5j 1 . 4 . 1703 . 1 1 22 ARG CG C 4.235 9.113 1.754 . . . 1.0 . . . . . . . . . . . . A . 22 ARG CG . . . . . . . . . c30498_6e5j 1 . 4 . 1704 . 1 1 22 ARG CZ C 1.911 8.965 4.616 . . . 1.0 . . . . . . . . . . . . A . 22 ARG CZ . . . . . . . . . c30498_6e5j 1 . 4 . 1705 . 1 1 22 ARG H H 5.551 6.423 0.273 . . . 1.0 . . . . . . . . . . . . A . 22 ARG H . . . . . . . . . c30498_6e5j 1 . 4 . 1706 . 1 1 22 ARG HA H 3.926 6.595 2.716 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HA . . . . . . . . . c30498_6e5j 1 . 4 . 1707 . 1 1 22 ARG HB2 H 3.668 7.983 0.048 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HB2 . . . . . . . . . c30498_6e5j 1 . 4 . 1708 . 1 1 22 ARG HB3 H 2.443 8.066 1.306 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HB3 . . . . . . . . . c30498_6e5j 1 . 4 . 1709 . 1 1 22 ARG HD2 H 4.261 8.265 3.707 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HD2 . . . . . . . . . c30498_6e5j 1 . 4 . 1710 . 1 1 22 ARG HD3 H 4.530 10.006 3.668 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HD3 . . . . . . . . . c30498_6e5j 1 . 4 . 1711 . 1 1 22 ARG HE H 2.022 9.935 2.866 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HE . . . . . . . . . c30498_6e5j 1 . 4 . 1712 . 1 1 22 ARG HG2 H 5.296 8.982 1.601 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HG2 . . . . . . . . . c30498_6e5j 1 . 4 . 1713 . 1 1 22 ARG HG3 H 3.912 10.032 1.285 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HG3 . . . . . . . . . c30498_6e5j 1 . 4 . 1714 . 1 1 22 ARG HH11 H 2.101 7.934 6.350 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HH11 . . . . . . . . . c30498_6e5j 1 . 4 . 1715 . 1 1 22 ARG HH12 H 3.553 8.081 5.413 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HH12 . . . . . . . . . c30498_6e5j 1 . 4 . 1716 . 1 1 22 ARG HH21 H 0.143 8.873 5.602 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HH21 . . . . . . . . . c30498_6e5j 1 . 4 . 1717 . 1 1 22 ARG HH22 H 0.105 9.736 4.098 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HH22 . . . . . . . . . c30498_6e5j 1 . 4 . 1718 . 1 1 22 ARG N N 5.303 6.292 1.216 . . . 1.0 . . . . . . . . . . . . A . 22 ARG N . . . . . . . . . c30498_6e5j 1 . 4 . 1719 . 1 1 22 ARG NE N 2.537 9.416 3.529 . . . 1.0 . . . . . . . . . . . . A . 22 ARG NE . . . . . . . . . c30498_6e5j 1 . 4 . 1720 . 1 1 22 ARG NH1 N 2.576 8.273 5.533 . . . 1.0 . . . . . . . . . . . . A . 22 ARG NH1 . . . . . . . . . c30498_6e5j 1 . 4 . 1721 . 1 1 22 ARG NH2 N 0.617 9.211 4.786 . . . 1.0 . . . . . . . . . . . . A . 22 ARG NH2 . . . . . . . . . c30498_6e5j 1 . 4 . 1722 . 1 1 22 ARG O O 3.094 5.028 0.026 . . . 1.0 . . . . . . . . . . . . A . 22 ARG O . . . . . . . . . c30498_6e5j 1 . 4 . 1723 . 1 1 23 TYR C C -0.303 4.528 1.966 . . . 1.0 . . . . . . . . . . . . A . 23 TYR C . . . . . . . . . c30498_6e5j 1 . 4 . 1724 . 1 1 23 TYR CA C 1.119 4.061 1.698 . . . 1.0 . . . . . . . . . . . . A . 23 TYR CA . . . . . . . . . c30498_6e5j 1 . 4 . 1725 . 1 1 23 TYR CB C 1.408 2.811 2.527 . . . 1.0 . . . . . . . . . . . . A . 23 TYR CB . . . . . . . . . c30498_6e5j 1 . 4 . 1726 . 1 1 23 TYR CD1 C 3.733 2.614 3.481 . . . 1.0 . . . . . . . . . . . . A . 23 TYR CD1 . . . . . . . . . c30498_6e5j 1 . 4 . 1727 . 1 1 23 TYR CD2 C 3.308 1.649 1.347 . . . 1.0 . . . . . . . . . . . . A . 23 TYR CD2 . . . . . . . . . c30498_6e5j 1 . 4 . 1728 . 1 1 23 TYR CE1 C 5.046 2.200 3.413 . . . 1.0 . . . . . . . . . . . . A . 23 TYR CE1 . . . . . . . . . c30498_6e5j 1 . 4 . 1729 . 1 1 23 TYR CE2 C 4.619 1.228 1.271 . . . 1.0 . . . . . . . . . . . . A . 23 TYR CE2 . . . . . . . . . c30498_6e5j 1 . 4 . 1730 . 1 1 23 TYR CG C 2.842 2.347 2.452 . . . 1.0 . . . . . . . . . . . . A . 23 TYR CG . . . . . . . . . c30498_6e5j 1 . 4 . 1731 . 1 1 23 TYR CZ C 5.476 1.479 2.323 . . . 1.0 . . . . . . . . . . . . A . 23 TYR CZ . . . . . . . . . c30498_6e5j 1 . 4 . 1732 . 1 1 23 TYR H H 2.025 5.543 2.900 . . . 1.0 . . . . . . . . . . . . A . 23 TYR H . . . . . . . . . c30498_6e5j 1 . 4 . 1733 . 1 1 23 TYR HA H 1.222 3.823 0.650 . . . 1.0 . . . . . . . . . . . . A . 23 TYR HA . . . . . . . . . c30498_6e5j 1 . 4 . 1734 . 1 1 23 TYR HB2 H 1.180 3.014 3.562 . . . 1.0 . . . . . . . . . . . . A . 23 TYR HB2 . . . . . . . . . c30498_6e5j 1 . 4 . 1735 . 1 1 23 TYR HB3 H 0.778 2.005 2.177 . . . 1.0 . . . . . . . . . . . . A . 23 TYR HB3 . . . . . . . . . c30498_6e5j 1 . 4 . 1736 . 1 1 23 TYR HD1 H 3.385 3.156 4.348 . . . 1.0 . . . . . . . . . . . . A . 23 TYR HD1 . . . . . . . . . c30498_6e5j 1 . 4 . 1737 . 1 1 23 TYR HD2 H 2.626 1.430 0.539 . . . 1.0 . . . . . . . . . . . . A . 23 TYR HD2 . . . . . . . . . c30498_6e5j 1 . 4 . 1738 . 1 1 23 TYR HE1 H 5.723 2.417 4.224 . . . 1.0 . . . . . . . . . . . . A . 23 TYR HE1 . . . . . . . . . c30498_6e5j 1 . 4 . 1739 . 1 1 23 TYR HE2 H 4.961 0.685 0.404 . . . 1.0 . . . . . . . . . . . . A . 23 TYR HE2 . . . . . . . . . c30498_6e5j 1 . 4 . 1740 . 1 1 23 TYR HH H 7.188 1.426 1.411 . . . 1.0 . . . . . . . . . . . . A . 23 TYR HH . . . . . . . . . c30498_6e5j 1 . 4 . 1741 . 1 1 23 TYR N N 2.069 5.112 2.018 . . . 1.0 . . . . . . . . . . . . A . 23 TYR N . . . . . . . . . c30498_6e5j 1 . 4 . 1742 . 1 1 23 TYR O O -0.635 4.935 3.082 . . . 1.0 . . . . . . . . . . . . A . 23 TYR O . . . . . . . . . c30498_6e5j 1 . 4 . 1743 . 1 1 23 TYR OH O 6.795 1.095 2.230 . . . 1.0 . . . . . . . . . . . . A . 23 TYR OH . . . . . . . . . c30498_6e5j 1 . 4 . 1744 . 1 1 24 GLU C C -3.396 3.583 0.936 . . . 1.0 . . . . . . . . . . . . A . 24 GLU C . . . . . . . . . c30498_6e5j 1 . 4 . 1745 . 1 1 24 GLU CA C -2.533 4.830 1.083 . . . 1.0 . . . . . . . . . . . . A . 24 GLU CA . . . . . . . . . c30498_6e5j 1 . 4 . 1746 . 1 1 24 GLU CB C -2.916 5.883 0.042 . . . 1.0 . . . . . . . . . . . . A . 24 GLU CB . . . . . . . . . c30498_6e5j 1 . 4 . 1747 . 1 1 24 GLU CD C -2.718 8.289 -0.709 . . . 1.0 . . . . . . . . . . . . A . 24 GLU CD . . . . . . . . . c30498_6e5j 1 . 4 . 1748 . 1 1 24 GLU CG C -2.292 7.246 0.302 . . . 1.0 . . . . . . . . . . . . A . 24 GLU CG . . . . . . . . . c30498_6e5j 1 . 4 . 1749 . 1 1 24 GLU H H -0.808 4.151 0.075 . . . 1.0 . . . . . . . . . . . . A . 24 GLU H . . . . . . . . . c30498_6e5j 1 . 4 . 1750 . 1 1 24 GLU HA H -2.672 5.240 2.071 . . . 1.0 . . . . . . . . . . . . A . 24 GLU HA . . . . . . . . . c30498_6e5j 1 . 4 . 1751 . 1 1 24 GLU HB2 H -2.594 5.544 -0.931 . . . 1.0 . . . . . . . . . . . . A . 24 GLU HB2 . . . . . . . . . c30498_6e5j 1 . 4 . 1752 . 1 1 24 GLU HB3 H -3.989 5.995 0.038 . . . 1.0 . . . . . . . . . . . . A . 24 GLU HB3 . . . . . . . . . c30498_6e5j 1 . 4 . 1753 . 1 1 24 GLU HG2 H -2.585 7.582 1.286 . . . 1.0 . . . . . . . . . . . . A . 24 GLU HG2 . . . . . . . . . c30498_6e5j 1 . 4 . 1754 . 1 1 24 GLU HG3 H -1.216 7.148 0.264 . . . 1.0 . . . . . . . . . . . . A . 24 GLU HG3 . . . . . . . . . c30498_6e5j 1 . 4 . 1755 . 1 1 24 GLU N N -1.136 4.468 0.946 . . . 1.0 . . . . . . . . . . . . A . 24 GLU N . . . . . . . . . c30498_6e5j 1 . 4 . 1756 . 1 1 24 GLU O O -3.187 2.797 0.021 . . . 1.0 . . . . . . . . . . . . A . 24 GLU O . . . . . . . . . c30498_6e5j 1 . 4 . 1757 . 1 1 24 GLU OE1 O -3.936 8.428 -0.947 . . . 1.0 . . . . . . . . . . . . A . 24 GLU OE1 . . . . . . . . . c30498_6e5j 1 . 4 . 1758 . 1 1 24 GLU OE2 O -1.840 8.976 -1.269 . . . 1.0 . . . . . . . . . . . . A . 24 GLU OE2 . . . . . . . . . c30498_6e5j 1 . 4 . 1759 . 1 1 25 MVA C C -6.549 2.311 2.469 . . . 1.0 . . . . . . . . . . . . A . 25 MVA C . . . . . . . . . c30498_6e5j 1 . 4 . 1760 . 1 1 25 MVA CA C -5.180 2.147 1.796 . . . 1.0 . . . . . . . . . . . . A . 25 MVA CA . . . . . . . . . c30498_6e5j 1 . 4 . 1761 . 1 1 25 MVA CB C -4.429 0.938 2.423 . . . 1.0 . . . . . . . . . . . . A . 25 MVA CB . . . . . . . . . c30498_6e5j 1 . 4 . 1762 . 1 1 25 MVA CG1 C -3.874 1.262 3.803 . . . 1.0 . . . . . . . . . . . . A . 25 MVA CG1 . . . . . . . . . c30498_6e5j 1 . 4 . 1763 . 1 1 25 MVA CG2 C -5.341 -0.278 2.484 . . . 1.0 . . . . . . . . . . . . A . 25 MVA CG2 . . . . . . . . . c30498_6e5j 1 . 4 . 1764 . 1 1 25 MVA CN C -4.648 4.411 2.851 . . . 1.0 . . . . . . . . . . . . A . 25 MVA CN . . . . . . . . . c30498_6e5j 1 . 4 . 1765 . 1 1 25 MVA HA H -5.371 1.890 0.762 . . . 1.0 . . . . . . . . . . . . A . 25 MVA HA . . . . . . . . . c30498_6e5j 1 . 4 . 1766 . 1 1 25 MVA HB H -3.595 0.694 1.780 . . . 1.0 . . . . . . . . . . . . A . 25 MVA HB . . . . . . . . . c30498_6e5j 1 . 4 . 1767 . 1 1 25 MVA HG11 H -4.681 1.557 4.455 . . . 1.0 . . . . . . . . . . . . A . 25 MVA HG11 . . . . . . . . . c30498_6e5j 1 . 4 . 1768 . 1 1 25 MVA HG12 H -3.161 2.069 3.723 . . . 1.0 . . . . . . . . . . . . A . 25 MVA HG12 . . . . . . . . . c30498_6e5j 1 . 4 . 1769 . 1 1 25 MVA HG13 H -3.384 0.389 4.205 . . . 1.0 . . . . . . . . . . . . A . 25 MVA HG13 . . . . . . . . . c30498_6e5j 1 . 4 . 1770 . 1 1 25 MVA HG21 H -4.794 -1.119 2.885 . . . 1.0 . . . . . . . . . . . . A . 25 MVA HG21 . . . . . . . . . c30498_6e5j 1 . 4 . 1771 . 1 1 25 MVA HG22 H -5.693 -0.514 1.491 . . . 1.0 . . . . . . . . . . . . A . 25 MVA HG22 . . . . . . . . . c30498_6e5j 1 . 4 . 1772 . 1 1 25 MVA HG23 H -6.186 -0.061 3.123 . . . 1.0 . . . . . . . . . . . . A . 25 MVA HG23 . . . . . . . . . c30498_6e5j 1 . 4 . 1773 . 1 1 25 MVA HN1 H -3.828 4.458 3.553 . . . 1.0 . . . . . . . . . . . . A . 25 MVA HN1 . . . . . . . . . c30498_6e5j 1 . 4 . 1774 . 1 1 25 MVA HN2 H -5.558 4.162 3.377 . . . 1.0 . . . . . . . . . . . . A . 25 MVA HN2 . . . . . . . . . c30498_6e5j 1 . 4 . 1775 . 1 1 25 MVA HN3 H -4.761 5.368 2.368 . . . 1.0 . . . . . . . . . . . . A . 25 MVA HN3 . . . . . . . . . c30498_6e5j 1 . 4 . 1776 . 1 1 25 MVA N N -4.369 3.376 1.836 . . . 1.0 . . . . . . . . . . . . A . 25 MVA N . . . . . . . . . c30498_6e5j 1 . 4 . 1777 . 1 1 25 MVA O O -6.670 2.468 3.690 . . . 1.0 . . . . . . . . . . . . A . 25 MVA O . . . . . . . . . c30498_6e5j 1 . 4 . 1778 . 1 1 26 HIS C C -9.695 1.102 1.961 . . . 1.0 . . . . . . . . . . . . A . 26 HIS C . . . . . . . . . c30498_6e5j 1 . 4 . 1779 . 1 1 26 HIS CA C -8.944 2.419 2.092 . . . 1.0 . . . . . . . . . . . . A . 26 HIS CA . . . . . . . . . c30498_6e5j 1 . 4 . 1780 . 1 1 26 HIS CB C -9.648 3.499 1.266 . . . 1.0 . . . . . . . . . . . . A . 26 HIS CB . . . . . . . . . c30498_6e5j 1 . 4 . 1781 . 1 1 26 HIS CD2 C -8.206 5.395 0.232 . . . 1.0 . . . . . . . . . . . . A . 26 HIS CD2 . . . . . . . . . c30498_6e5j 1 . 4 . 1782 . 1 1 26 HIS CE1 C -8.152 6.738 1.959 . . . 1.0 . . . . . . . . . . . . A . 26 HIS CE1 . . . . . . . . . c30498_6e5j 1 . 4 . 1783 . 1 1 26 HIS CG C -8.920 4.811 1.223 . . . 1.0 . . . . . . . . . . . . A . 26 HIS CG . . . . . . . . . c30498_6e5j 1 . 4 . 1784 . 1 1 26 HIS H H -7.411 2.076 0.693 . . . 1.0 . . . . . . . . . . . . A . 26 HIS H . . . . . . . . . c30498_6e5j 1 . 4 . 1785 . 1 1 26 HIS HA H -8.928 2.716 3.129 . . . 1.0 . . . . . . . . . . . . A . 26 HIS HA . . . . . . . . . c30498_6e5j 1 . 4 . 1786 . 1 1 26 HIS HB2 H -9.757 3.147 0.252 . . . 1.0 . . . . . . . . . . . . A . 26 HIS HB2 . . . . . . . . . c30498_6e5j 1 . 4 . 1787 . 1 1 26 HIS HB3 H -10.625 3.678 1.683 . . . 1.0 . . . . . . . . . . . . A . 26 HIS HB3 . . . . . . . . . c30498_6e5j 1 . 4 . 1788 . 1 1 26 HIS HD1 H -9.278 5.534 3.174 . . . 1.0 . . . . . . . . . . . . A . 26 HIS HD1 . . . . . . . . . c30498_6e5j 1 . 4 . 1789 . 1 1 26 HIS HD2 H -8.038 4.997 -0.757 . . . 1.0 . . . . . . . . . . . . A . 26 HIS HD2 . . . . . . . . . c30498_6e5j 1 . 4 . 1790 . 1 1 26 HIS HE1 H -7.941 7.581 2.598 . . . 1.0 . . . . . . . . . . . . A . 26 HIS HE1 . . . . . . . . . c30498_6e5j 1 . 4 . 1791 . 1 1 26 HIS HE2 H -7.066 7.155 0.276 . . . 1.0 . . . . . . . . . . . . A . 26 HIS HE2 . . . . . . . . . c30498_6e5j 1 . 4 . 1792 . 1 1 26 HIS N N -7.578 2.253 1.645 . . . 1.0 . . . . . . . . . . . . A . 26 HIS N . . . . . . . . . c30498_6e5j 1 . 4 . 1793 . 1 1 26 HIS ND1 N -8.864 5.679 2.291 . . . 1.0 . . . . . . . . . . . . A . 26 HIS ND1 . . . . . . . . . c30498_6e5j 1 . 4 . 1794 . 1 1 26 HIS NE2 N -7.739 6.590 0.716 . . . 1.0 . . . . . . . . . . . . A . 26 HIS NE2 . . . . . . . . . c30498_6e5j 1 . 4 . 1795 . 1 1 26 HIS O O -9.913 0.606 0.855 . . . 1.0 . . . . . . . . . . . . A . 26 HIS O . . . . . . . . . c30498_6e5j 1 . 4 . 1796 . 1 1 27 CYS C C -12.304 -0.397 3.267 . . . 1.0 . . . . . . . . . . . . A . 27 CYS C . . . . . . . . . c30498_6e5j 1 . 4 . 1797 . 1 1 27 CYS CA C -10.822 -0.708 3.101 . . . 1.0 . . . . . . . . . . . . A . 27 CYS CA . . . . . . . . . c30498_6e5j 1 . 4 . 1798 . 1 1 27 CYS CB C -10.335 -1.630 4.224 . . . 1.0 . . . . . . . . . . . . A . 27 CYS CB . . . . . . . . . c30498_6e5j 1 . 4 . 1799 . 1 1 27 CYS H H -9.812 0.943 3.940 . . . 1.0 . . . . . . . . . . . . A . 27 CYS H . . . . . . . . . c30498_6e5j 1 . 4 . 1800 . 1 1 27 CYS HA H -10.672 -1.201 2.151 . . . 1.0 . . . . . . . . . . . . A . 27 CYS HA . . . . . . . . . c30498_6e5j 1 . 4 . 1801 . 1 1 27 CYS HB2 H -10.476 -1.135 5.173 . . . 1.0 . . . . . . . . . . . . A . 27 CYS HB2 . . . . . . . . . c30498_6e5j 1 . 4 . 1802 . 1 1 27 CYS HB3 H -10.919 -2.537 4.209 . . . 1.0 . . . . . . . . . . . . A . 27 CYS HB3 . . . . . . . . . c30498_6e5j 1 . 4 . 1803 . 1 1 27 CYS N N -10.059 0.526 3.088 . . . 1.0 . . . . . . . . . . . . A . 27 CYS N . . . . . . . . . c30498_6e5j 1 . 4 . 1804 . 1 1 27 CYS O O -13.106 -0.611 2.356 . . . 1.0 . . . . . . . . . . . . A . 27 CYS O . . . . . . . . . c30498_6e5j 1 . 4 . 1805 . 1 1 27 CYS SG S -8.577 -2.098 4.104 . . . 1.0 . . . . . . . . . . . . A . 27 CYS SG . . . . . . . . . c30498_6e5j 1 . 4 . 1806 . 1 1 28 NH2 HN1 H -11.973 0.265 5.108 . . . 1.0 . . . . . . . . . . . . A . 28 NH2 HN1 . . . . . . . . . c30498_6e5j 1 . 4 . 1807 . 1 1 28 NH2 HN2 H -13.613 0.343 4.564 . . . 1.0 . . . . . . . . . . . . A . 28 NH2 HN2 . . . . . . . . . c30498_6e5j 1 . 4 . 1808 . 1 1 28 NH2 N N -12.667 0.120 4.429 . . . 1.0 . . . . . . . . . . . . A . 28 NH2 N . . . . . . . . . c30498_6e5j 1 . 5 . 1809 . 1 1 1 ASN C C 10.768 -1.639 -1.289 . . . 1.0 . . . . . . . . . . . . A . 1 ASN C . . . . . . . . . c30498_6e5j 1 . 5 . 1810 . 1 1 1 ASN CA C 11.389 -0.584 -0.383 . . . 1.0 . . . . . . . . . . . . A . 1 ASN CA . . . . . . . . . c30498_6e5j 1 . 5 . 1811 . 1 1 1 ASN CB C 12.737 -0.138 -0.957 . . . 1.0 . . . . . . . . . . . . A . 1 ASN CB . . . . . . . . . c30498_6e5j 1 . 5 . 1812 . 1 1 1 ASN CG C 13.342 1.018 -0.184 . . . 1.0 . . . . . . . . . . . . A . 1 ASN CG . . . . . . . . . c30498_6e5j 1 . 5 . 1813 . 1 1 1 ASN H1 H 10.639 -1.399 1.378 . . . 1.0 . . . . . . . . . . . . A . 1 ASN H1 . . . . . . . . . c30498_6e5j 1 . 5 . 1814 . 1 1 1 ASN H2 H 11.950 -0.363 1.610 . . . 1.0 . . . . . . . . . . . . A . 1 ASN H2 . . . . . . . . . c30498_6e5j 1 . 5 . 1815 . 1 1 1 ASN H3 H 12.202 -1.916 1.000 . . . 1.0 . . . . . . . . . . . . A . 1 ASN H3 . . . . . . . . . c30498_6e5j 1 . 5 . 1816 . 1 1 1 ASN HA H 10.727 0.267 -0.342 . . . 1.0 . . . . . . . . . . . . A . 1 ASN HA . . . . . . . . . c30498_6e5j 1 . 5 . 1817 . 1 1 1 ASN HB2 H 13.427 -0.967 -0.923 . . . 1.0 . . . . . . . . . . . . A . 1 ASN HB2 . . . . . . . . . c30498_6e5j 1 . 5 . 1818 . 1 1 1 ASN HB3 H 12.600 0.170 -1.982 . . . 1.0 . . . . . . . . . . . . A . 1 ASN HB3 . . . . . . . . . c30498_6e5j 1 . 5 . 1819 . 1 1 1 ASN HD21 H 15.172 0.376 -0.609 . . . 1.0 . . . . . . . . . . . . A . 1 ASN HD21 . . . . . . . . . c30498_6e5j 1 . 5 . 1820 . 1 1 1 ASN HD22 H 15.081 1.815 0.345 . . . 1.0 . . . . . . . . . . . . A . 1 ASN HD22 . . . . . . . . . c30498_6e5j 1 . 5 . 1821 . 1 1 1 ASN N N 11.558 -1.102 0.994 . . . 1.0 . . . . . . . . . . . . A . 1 ASN N . . . . . . . . . c30498_6e5j 1 . 5 . 1822 . 1 1 1 ASN ND2 N 14.662 1.076 -0.145 . . . 1.0 . . . . . . . . . . . . A . 1 ASN ND2 . . . . . . . . . c30498_6e5j 1 . 5 . 1823 . 1 1 1 ASN O O 10.122 -1.312 -2.283 . . . 1.0 . . . . . . . . . . . . A . 1 ASN O . . . . . . . . . c30498_6e5j 1 . 5 . 1824 . 1 1 1 ASN OD1 O 12.630 1.852 0.375 . . . 1.0 . . . . . . . . . . . . A . 1 ASN OD1 . . . . . . . . . c30498_6e5j 1 . 5 . 1825 . 1 1 2 ASP C C 8.897 -4.096 -1.470 . . . 1.0 . . . . . . . . . . . . A . 2 ASP C . . . . . . . . . c30498_6e5j 1 . 5 . 1826 . 1 1 2 ASP CA C 10.397 -4.010 -1.717 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CA . . . . . . . . . c30498_6e5j 1 . 5 . 1827 . 1 1 2 ASP CB C 11.078 -5.335 -1.349 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CB . . . . . . . . . c30498_6e5j 1 . 5 . 1828 . 1 1 2 ASP CG C 10.556 -6.513 -2.153 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CG . . . . . . . . . c30498_6e5j 1 . 5 . 1829 . 1 1 2 ASP H H 11.526 -3.113 -0.165 . . . 1.0 . . . . . . . . . . . . A . 2 ASP H . . . . . . . . . c30498_6e5j 1 . 5 . 1830 . 1 1 2 ASP HA H 10.564 -3.807 -2.763 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HA . . . . . . . . . c30498_6e5j 1 . 5 . 1831 . 1 1 2 ASP HB2 H 12.139 -5.248 -1.530 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HB2 . . . . . . . . . c30498_6e5j 1 . 5 . 1832 . 1 1 2 ASP HB3 H 10.914 -5.538 -0.301 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HB3 . . . . . . . . . c30498_6e5j 1 . 5 . 1833 . 1 1 2 ASP N N 10.971 -2.908 -0.949 . . . 1.0 . . . . . . . . . . . . A . 2 ASP N . . . . . . . . . c30498_6e5j 1 . 5 . 1834 . 1 1 2 ASP O O 8.114 -4.358 -2.383 . . . 1.0 . . . . . . . . . . . . A . 2 ASP O . . . . . . . . . c30498_6e5j 1 . 5 . 1835 . 1 1 2 ASP OD1 O 9.628 -7.202 -1.679 . . . 1.0 . . . . . . . . . . . . A . 2 ASP OD1 . . . . . . . . . c30498_6e5j 1 . 5 . 1836 . 1 1 2 ASP OD2 O 11.055 -6.740 -3.274 . . . 1.0 . . . . . . . . . . . . A . 2 ASP OD2 . . . . . . . . . c30498_6e5j 1 . 5 . 1837 . 1 1 3 B3K C C 5.291 -2.392 -0.826 . . . 1.0 . . . . . . . . . . . . A . 3 B3K C . . . . . . . . . c30498_6e5j 1 . 5 . 1838 . 1 1 3 B3K CA C 6.483 -2.489 0.098 . . . 1.0 . . . . . . . . . . . . A . 3 B3K CA . . . . . . . . . c30498_6e5j 1 . 5 . 1839 . 1 1 3 B3K CB C 7.088 -3.892 0.120 . . . 1.0 . . . . . . . . . . . . A . 3 B3K CB . . . . . . . . . c30498_6e5j 1 . 5 . 1840 . 1 1 3 B3K CD C 7.525 -5.858 1.694 . . . 1.0 . . . . . . . . . . . . A . 3 B3K CD . . . . . . . . . c30498_6e5j 1 . 5 . 1841 . 1 1 3 B3K CE C 7.249 -6.432 3.072 . . . 1.0 . . . . . . . . . . . . A . 3 B3K CE . . . . . . . . . c30498_6e5j 1 . 5 . 1842 . 1 1 3 B3K CF C 7.946 -7.769 3.266 . . . 1.0 . . . . . . . . . . . . A . 3 B3K CF . . . . . . . . . c30498_6e5j 1 . 5 . 1843 . 1 1 3 B3K CG C 6.909 -4.479 1.525 . . . 1.0 . . . . . . . . . . . . A . 3 B3K CG . . . . . . . . . c30498_6e5j 1 . 5 . 1844 . 1 1 3 B3K H H 9.156 -3.621 0.452 . . . 1.0 . . . . . . . . . . . . A . 3 B3K H . . . . . . . . . c30498_6e5j 1 . 5 . 1845 . 1 1 3 B3K HA1 H 6.164 -2.229 1.096 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HA1 . . . . . . . . . c30498_6e5j 1 . 5 . 1846 . 1 1 3 B3K HA2 H 7.231 -1.783 -0.234 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HA2 . . . . . . . . . c30498_6e5j 1 . 5 . 1847 . 1 1 3 B3K HB H 6.586 -4.512 -0.623 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HB . . . . . . . . . c30498_6e5j 1 . 5 . 1848 . 1 1 3 B3K HD2 H 8.593 -5.785 1.550 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HD2 . . . . . . . . . c30498_6e5j 1 . 5 . 1849 . 1 1 3 B3K HD3 H 7.107 -6.520 0.952 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HD3 . . . . . . . . . c30498_6e5j 1 . 5 . 1850 . 1 1 3 B3K HE2 H 6.184 -6.570 3.187 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HE2 . . . . . . . . . c30498_6e5j 1 . 5 . 1851 . 1 1 3 B3K HE3 H 7.607 -5.738 3.820 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HE3 . . . . . . . . . c30498_6e5j 1 . 5 . 1852 . 1 1 3 B3K HF1 H 7.653 -8.177 4.222 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HF1 . . . . . . . . . c30498_6e5j 1 . 5 . 1853 . 1 1 3 B3K HF2 H 9.013 -7.609 3.256 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HF2 . . . . . . . . . c30498_6e5j 1 . 5 . 1854 . 1 1 3 B3K HG2 H 5.854 -4.551 1.739 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HG2 . . . . . . . . . c30498_6e5j 1 . 5 . 1855 . 1 1 3 B3K HG3 H 7.367 -3.814 2.241 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HG3 . . . . . . . . . c30498_6e5j 1 . 5 . 1856 . 1 1 3 B3K HNZ1 H 7.882 -8.375 1.267 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HNZ1 . . . . . . . . . c30498_6e5j 1 . 5 . 1857 . 1 1 3 B3K HNZ2 H 6.569 -8.910 2.188 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HNZ2 . . . . . . . . . c30498_6e5j 1 . 5 . 1858 . 1 1 3 B3K N N 8.493 -3.847 -0.233 . . . 1.0 . . . . . . . . . . . . A . 3 B3K N . . . . . . . . . c30498_6e5j 1 . 5 . 1859 . 1 1 3 B3K NZ N 7.593 -8.742 2.196 . . . 1.0 . . . . . . . . . . . . A . 3 B3K NZ . . . . . . . . . c30498_6e5j 1 . 5 . 1860 . 1 1 3 B3K O O 4.190 -2.844 -0.498 . . . 1.0 . . . . . . . . . . . . A . 3 B3K O . . . . . . . . . c30498_6e5j 1 . 5 . 1861 . 1 1 4 CYS C C 4.102 -3.011 -3.581 . . . 1.0 . . . . . . . . . . . . A . 4 CYS C . . . . . . . . . c30498_6e5j 1 . 5 . 1862 . 1 1 4 CYS CA C 4.464 -1.656 -2.990 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CA . . . . . . . . . c30498_6e5j 1 . 5 . 1863 . 1 1 4 CYS CB C 4.890 -0.686 -4.098 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CB . . . . . . . . . c30498_6e5j 1 . 5 . 1864 . 1 1 4 CYS H H 6.409 -1.437 -2.183 . . . 1.0 . . . . . . . . . . . . A . 4 CYS H . . . . . . . . . c30498_6e5j 1 . 5 . 1865 . 1 1 4 CYS HA H 3.594 -1.257 -2.492 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HA . . . . . . . . . c30498_6e5j 1 . 5 . 1866 . 1 1 4 CYS HB2 H 5.161 0.260 -3.655 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB2 . . . . . . . . . c30498_6e5j 1 . 5 . 1867 . 1 1 4 CYS HB3 H 5.748 -1.094 -4.614 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB3 . . . . . . . . . c30498_6e5j 1 . 5 . 1868 . 1 1 4 CYS N N 5.514 -1.799 -1.993 . . . 1.0 . . . . . . . . . . . . A . 4 CYS N . . . . . . . . . c30498_6e5j 1 . 5 . 1869 . 1 1 4 CYS O O 2.956 -3.244 -3.956 . . . 1.0 . . . . . . . . . . . . A . 4 CYS O . . . . . . . . . c30498_6e5j 1 . 5 . 1870 . 1 1 4 CYS SG S 3.593 -0.364 -5.341 . . . 1.0 . . . . . . . . . . . . A . 4 CYS SG . . . . . . . . . c30498_6e5j 1 . 5 . 1871 . 1 1 5 LYS C C 3.901 -5.982 -3.155 . . . 1.0 . . . . . . . . . . . . A . 5 LYS C . . . . . . . . . c30498_6e5j 1 . 5 . 1872 . 1 1 5 LYS CA C 4.826 -5.259 -4.126 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CA . . . . . . . . . c30498_6e5j 1 . 5 . 1873 . 1 1 5 LYS CB C 6.142 -6.019 -4.290 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CB . . . . . . . . . c30498_6e5j 1 . 5 . 1874 . 1 1 5 LYS CD C 8.464 -5.990 -5.253 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CD . . . . . . . . . c30498_6e5j 1 . 5 . 1875 . 1 1 5 LYS CE C 8.468 -7.502 -5.395 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CE . . . . . . . . . c30498_6e5j 1 . 5 . 1876 . 1 1 5 LYS CG C 7.061 -5.413 -5.337 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CG . . . . . . . . . c30498_6e5j 1 . 5 . 1877 . 1 1 5 LYS H H 5.980 -3.661 -3.360 . . . 1.0 . . . . . . . . . . . . A . 5 LYS H . . . . . . . . . c30498_6e5j 1 . 5 . 1878 . 1 1 5 LYS HA H 4.336 -5.185 -5.084 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HA . . . . . . . . . c30498_6e5j 1 . 5 . 1879 . 1 1 5 LYS HB2 H 6.662 -6.026 -3.344 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HB2 . . . . . . . . . c30498_6e5j 1 . 5 . 1880 . 1 1 5 LYS HB3 H 5.922 -7.035 -4.579 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HB3 . . . . . . . . . c30498_6e5j 1 . 5 . 1881 . 1 1 5 LYS HD2 H 9.065 -5.565 -6.042 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HD2 . . . . . . . . . c30498_6e5j 1 . 5 . 1882 . 1 1 5 LYS HD3 H 8.892 -5.726 -4.295 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HD3 . . . . . . . . . c30498_6e5j 1 . 5 . 1883 . 1 1 5 LYS HE2 H 7.885 -7.929 -4.592 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HE2 . . . . . . . . . c30498_6e5j 1 . 5 . 1884 . 1 1 5 LYS HE3 H 8.021 -7.764 -6.342 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HE3 . . . . . . . . . c30498_6e5j 1 . 5 . 1885 . 1 1 5 LYS HG2 H 6.658 -5.617 -6.317 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HG2 . . . . . . . . . c30498_6e5j 1 . 5 . 1886 . 1 1 5 LYS HG3 H 7.110 -4.345 -5.182 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HG3 . . . . . . . . . c30498_6e5j 1 . 5 . 1887 . 1 1 5 LYS HZ1 H 10.324 -7.733 -4.467 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ1 . . . . . . . . . c30498_6e5j 1 . 5 . 1888 . 1 1 5 LYS HZ2 H 10.393 -7.732 -6.160 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ2 . . . . . . . . . c30498_6e5j 1 . 5 . 1889 . 1 1 5 LYS HZ3 H 9.816 -9.093 -5.342 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ3 . . . . . . . . . c30498_6e5j 1 . 5 . 1890 . 1 1 5 LYS N N 5.076 -3.908 -3.648 . . . 1.0 . . . . . . . . . . . . A . 5 LYS N . . . . . . . . . c30498_6e5j 1 . 5 . 1891 . 1 1 5 LYS NZ N 9.845 -8.054 -5.338 . . . 1.0 . . . . . . . . . . . . A . 5 LYS NZ . . . . . . . . . c30498_6e5j 1 . 5 . 1892 . 1 1 5 LYS O O 2.695 -6.078 -3.388 . . . 1.0 . . . . . . . . . . . . A . 5 LYS O . . . . . . . . . c30498_6e5j 1 . 5 . 1893 . 1 1 6 B3E C C 2.752 -6.046 1.021 . . . 1.0 . . . . . . . . . . . . A . 6 B3E C . . . . . . . . . c30498_6e5j 1 . 5 . 1894 . 1 1 6 B3E CA C 3.974 -6.613 0.338 . . . 1.0 . . . . . . . . . . . . A . 6 B3E CA . . . . . . . . . c30498_6e5j 1 . 5 . 1895 . 1 1 6 B3E CB C 3.661 -7.149 -1.056 . . . 1.0 . . . . . . . . . . . . A . 6 B3E CB . . . . . . . . . c30498_6e5j 1 . 5 . 1896 . 1 1 6 B3E CD C 3.625 -9.320 -2.403 . . . 1.0 . . . . . . . . . . . . A . 6 B3E CD . . . . . . . . . c30498_6e5j 1 . 5 . 1897 . 1 1 6 B3E CE C 3.887 -10.809 -2.385 . . . 1.0 . . . . . . . . . . . . A . 6 B3E CE . . . . . . . . . c30498_6e5j 1 . 5 . 1898 . 1 1 6 B3E CG C 3.941 -8.657 -1.074 . . . 1.0 . . . . . . . . . . . . A . 6 B3E CG . . . . . . . . . c30498_6e5j 1 . 5 . 1899 . 1 1 6 B3E H H 5.425 -6.373 -1.919 . . . 1.0 . . . . . . . . . . . . A . 6 B3E H . . . . . . . . . c30498_6e5j 1 . 5 . 1900 . 1 1 6 B3E HA1 H 4.365 -7.416 0.943 . . . 1.0 . . . . . . . . . . . . A . 6 B3E HA1 . . . . . . . . . c30498_6e5j 1 . 5 . 1901 . 1 1 6 B3E HA2 H 4.716 -5.829 0.261 . . . 1.0 . . . . . . . . . . . . A . 6 B3E HA2 . . . . . . . . . c30498_6e5j 1 . 5 . 1902 . 1 1 6 B3E HB H 2.614 -6.946 -1.290 . . . 1.0 . . . . . . . . . . . . A . 6 B3E HB . . . . . . . . . c30498_6e5j 1 . 5 . 1903 . 1 1 6 B3E HD2 H 4.238 -8.870 -3.171 . . . 1.0 . . . . . . . . . . . . A . 6 B3E HD2 . . . . . . . . . c30498_6e5j 1 . 5 . 1904 . 1 1 6 B3E HD3 H 2.584 -9.156 -2.634 . . . 1.0 . . . . . . . . . . . . A . 6 B3E HD3 . . . . . . . . . c30498_6e5j 1 . 5 . 1905 . 1 1 6 B3E HG2 H 3.343 -9.129 -0.310 . . . 1.0 . . . . . . . . . . . . A . 6 B3E HG2 . . . . . . . . . c30498_6e5j 1 . 5 . 1906 . 1 1 6 B3E HG3 H 4.984 -8.823 -0.853 . . . 1.0 . . . . . . . . . . . . A . 6 B3E HG3 . . . . . . . . . c30498_6e5j 1 . 5 . 1907 . 1 1 6 B3E N N 4.456 -6.469 -2.056 . . . 1.0 . . . . . . . . . . . . A . 6 B3E N . . . . . . . . . c30498_6e5j 1 . 5 . 1908 . 1 1 6 B3E O O 1.937 -6.780 1.587 . . . 1.0 . . . . . . . . . . . . A . 6 B3E O . . . . . . . . . c30498_6e5j 1 . 5 . 1909 . 1 1 6 B3E OF1 O 4.998 -11.227 -2.774 . . . 1.0 . . . . . . . . . . . . A . 6 B3E OF1 . . . . . . . . . c30498_6e5j 1 . 5 . 1910 . 1 1 6 B3E OF2 O 2.978 -11.572 -1.988 . . . 1.0 . . . . . . . . . . . . A . 6 B3E OF2 . . . . . . . . . c30498_6e5j 1 . 5 . 1911 . 1 1 7 LEU C C 0.348 -3.924 0.577 . . . 1.0 . . . . . . . . . . . . A . 7 LEU C . . . . . . . . . c30498_6e5j 1 . 5 . 1912 . 1 1 7 LEU CA C 1.492 -4.049 1.573 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CA . . . . . . . . . c30498_6e5j 1 . 5 . 1913 . 1 1 7 LEU CB C 1.907 -2.666 2.084 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CB . . . . . . . . . c30498_6e5j 1 . 5 . 1914 . 1 1 7 LEU CD1 C 3.373 -1.247 3.539 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CD1 . . . . . . . . . c30498_6e5j 1 . 5 . 1915 . 1 1 7 LEU CD2 C 2.745 -3.539 4.288 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CD2 . . . . . . . . . c30498_6e5j 1 . 5 . 1916 . 1 1 7 LEU CG C 3.065 -2.663 3.088 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CG . . . . . . . . . c30498_6e5j 1 . 5 . 1917 . 1 1 7 LEU H H 3.299 -4.198 0.490 . . . 1.0 . . . . . . . . . . . . A . 7 LEU H . . . . . . . . . c30498_6e5j 1 . 5 . 1918 . 1 1 7 LEU HA H 1.159 -4.646 2.406 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HA . . . . . . . . . c30498_6e5j 1 . 5 . 1919 . 1 1 7 LEU HB2 H 2.192 -2.062 1.235 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HB2 . . . . . . . . . c30498_6e5j 1 . 5 . 1920 . 1 1 7 LEU HB3 H 1.052 -2.211 2.558 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HB3 . . . . . . . . . c30498_6e5j 1 . 5 . 1921 . 1 1 7 LEU HD11 H 3.654 -0.649 2.685 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD11 . . . . . . . . . c30498_6e5j 1 . 5 . 1922 . 1 1 7 LEU HD12 H 4.185 -1.265 4.251 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD12 . . . . . . . . . c30498_6e5j 1 . 5 . 1923 . 1 1 7 LEU HD13 H 2.497 -0.820 4.005 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD13 . . . . . . . . . c30498_6e5j 1 . 5 . 1924 . 1 1 7 LEU HD21 H 3.546 -3.467 5.009 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD21 . . . . . . . . . c30498_6e5j 1 . 5 . 1925 . 1 1 7 LEU HD22 H 2.642 -4.565 3.969 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD22 . . . . . . . . . c30498_6e5j 1 . 5 . 1926 . 1 1 7 LEU HD23 H 1.823 -3.207 4.740 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD23 . . . . . . . . . c30498_6e5j 1 . 5 . 1927 . 1 1 7 LEU HG H 3.948 -3.059 2.610 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HG . . . . . . . . . c30498_6e5j 1 . 5 . 1928 . 1 1 7 LEU N N 2.620 -4.727 0.963 . . . 1.0 . . . . . . . . . . . . A . 7 LEU N . . . . . . . . . c30498_6e5j 1 . 5 . 1929 . 1 1 7 LEU O O -0.770 -4.352 0.865 . . . 1.0 . . . . . . . . . . . . A . 7 LEU O . . . . . . . . . c30498_6e5j 1 . 5 . 1930 . 1 1 8 LYS C C -1.046 -4.522 -1.929 . . . 1.0 . . . . . . . . . . . . A . 8 LYS C . . . . . . . . . c30498_6e5j 1 . 5 . 1931 . 1 1 8 LYS CA C -0.381 -3.185 -1.637 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CA . . . . . . . . . c30498_6e5j 1 . 5 . 1932 . 1 1 8 LYS CB C 0.224 -2.590 -2.913 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CB . . . . . . . . . c30498_6e5j 1 . 5 . 1933 . 1 1 8 LYS CD C -0.174 -1.680 -5.235 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CD . . . . . . . . . c30498_6e5j 1 . 5 . 1934 . 1 1 8 LYS CE C 0.665 -2.706 -5.982 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CE . . . . . . . . . c30498_6e5j 1 . 5 . 1935 . 1 1 8 LYS CG C -0.810 -2.265 -3.981 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CG . . . . . . . . . c30498_6e5j 1 . 5 . 1936 . 1 1 8 LYS H H 1.553 -3.068 -0.782 . . . 1.0 . . . . . . . . . . . . A . 8 LYS H . . . . . . . . . c30498_6e5j 1 . 5 . 1937 . 1 1 8 LYS HA H -1.125 -2.506 -1.249 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HA . . . . . . . . . c30498_6e5j 1 . 5 . 1938 . 1 1 8 LYS HB2 H 0.744 -1.679 -2.659 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB2 . . . . . . . . . c30498_6e5j 1 . 5 . 1939 . 1 1 8 LYS HB3 H 0.931 -3.293 -3.328 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB3 . . . . . . . . . c30498_6e5j 1 . 5 . 1940 . 1 1 8 LYS HD2 H -0.957 -1.327 -5.889 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD2 . . . . . . . . . c30498_6e5j 1 . 5 . 1941 . 1 1 8 LYS HD3 H 0.457 -0.850 -4.950 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD3 . . . . . . . . . c30498_6e5j 1 . 5 . 1942 . 1 1 8 LYS HE2 H 1.150 -2.216 -6.813 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE2 . . . . . . . . . c30498_6e5j 1 . 5 . 1943 . 1 1 8 LYS HE3 H 1.415 -3.097 -5.312 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE3 . . . . . . . . . c30498_6e5j 1 . 5 . 1944 . 1 1 8 LYS HG2 H -1.332 -3.170 -4.246 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG2 . . . . . . . . . c30498_6e5j 1 . 5 . 1945 . 1 1 8 LYS HG3 H -1.510 -1.549 -3.579 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG3 . . . . . . . . . c30498_6e5j 1 . 5 . 1946 . 1 1 8 LYS HZ1 H -0.855 -3.482 -7.185 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ1 . . . . . . . . . c30498_6e5j 1 . 5 . 1947 . 1 1 8 LYS HZ2 H -0.663 -4.300 -5.723 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ2 . . . . . . . . . c30498_6e5j 1 . 5 . 1948 . 1 1 8 LYS HZ3 H 0.450 -4.534 -6.972 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ3 . . . . . . . . . c30498_6e5j 1 . 5 . 1949 . 1 1 8 LYS N N 0.638 -3.362 -0.604 . . . 1.0 . . . . . . . . . . . . A . 8 LYS N . . . . . . . . . c30498_6e5j 1 . 5 . 1950 . 1 1 8 LYS NZ N -0.158 -3.833 -6.501 . . . 1.0 . . . . . . . . . . . . A . 8 LYS NZ . . . . . . . . . c30498_6e5j 1 . 5 . 1951 . 1 1 8 LYS O O -2.269 -4.633 -1.933 . . . 1.0 . . . . . . . . . . . . A . 8 LYS O . . . . . . . . . c30498_6e5j 1 . 5 . 1952 . 1 1 9 B3K C C -1.319 -8.300 -0.397 . . . 1.0 . . . . . . . . . . . . A . 9 B3K C . . . . . . . . . c30498_6e5j 1 . 5 . 1953 . 1 1 9 B3K CA C -0.232 -7.813 -1.321 . . . 1.0 . . . . . . . . . . . . A . 9 B3K CA . . . . . . . . . c30498_6e5j 1 . 5 . 1954 . 1 1 9 B3K CB C -0.748 -6.862 -2.399 . . . 1.0 . . . . . . . . . . . . A . 9 B3K CB . . . . . . . . . c30498_6e5j 1 . 5 . 1955 . 1 1 9 B3K CD C -0.933 -8.702 -4.163 . . . 1.0 . . . . . . . . . . . . A . 9 B3K CD . . . . . . . . . c30498_6e5j 1 . 5 . 1956 . 1 1 9 B3K CE C -0.307 -9.287 -5.419 . . . 1.0 . . . . . . . . . . . . A . 9 B3K CE . . . . . . . . . c30498_6e5j 1 . 5 . 1957 . 1 1 9 B3K CF C -0.445 -8.356 -6.614 . . . 1.0 . . . . . . . . . . . . A . 9 B3K CF . . . . . . . . . c30498_6e5j 1 . 5 . 1958 . 1 1 9 B3K CG C -0.276 -7.391 -3.759 . . . 1.0 . . . . . . . . . . . . A . 9 B3K CG . . . . . . . . . c30498_6e5j 1 . 5 . 1959 . 1 1 9 B3K H H 0.739 -5.391 -2.177 . . . 1.0 . . . . . . . . . . . . A . 9 B3K H . . . . . . . . . c30498_6e5j 1 . 5 . 1960 . 1 1 9 B3K HA1 H 0.219 -8.669 -1.796 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HA1 . . . . . . . . . c30498_6e5j 1 . 5 . 1961 . 1 1 9 B3K HA2 H 0.512 -7.302 -0.727 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HA2 . . . . . . . . . c30498_6e5j 1 . 5 . 1962 . 1 1 9 B3K HB H -1.843 -6.796 -2.339 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HB . . . . . . . . . c30498_6e5j 1 . 5 . 1963 . 1 1 9 B3K HD2 H -1.982 -8.525 -4.344 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HD2 . . . . . . . . . c30498_6e5j 1 . 5 . 1964 . 1 1 9 B3K HD3 H -0.822 -9.412 -3.357 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HD3 . . . . . . . . . c30498_6e5j 1 . 5 . 1965 . 1 1 9 B3K HE2 H -0.797 -10.223 -5.647 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HE2 . . . . . . . . . c30498_6e5j 1 . 5 . 1966 . 1 1 9 B3K HE3 H 0.741 -9.467 -5.235 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HE3 . . . . . . . . . c30498_6e5j 1 . 5 . 1967 . 1 1 9 B3K HF1 H 0.060 -8.801 -7.457 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HF1 . . . . . . . . . c30498_6e5j 1 . 5 . 1968 . 1 1 9 B3K HF2 H 0.025 -7.415 -6.374 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HF2 . . . . . . . . . c30498_6e5j 1 . 5 . 1969 . 1 1 9 B3K HG2 H 0.793 -7.543 -3.722 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HG2 . . . . . . . . . c30498_6e5j 1 . 5 . 1970 . 1 1 9 B3K HG3 H -0.500 -6.653 -4.515 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HG3 . . . . . . . . . c30498_6e5j 1 . 5 . 1971 . 1 1 9 B3K HNZ1 H -1.917 -7.512 -7.829 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HNZ1 . . . . . . . . . c30498_6e5j 1 . 5 . 1972 . 1 1 9 B3K HNZ2 H -2.357 -7.620 -6.200 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HNZ2 . . . . . . . . . c30498_6e5j 1 . 5 . 1973 . 1 1 9 B3K N N -0.231 -5.540 -2.165 . . . 1.0 . . . . . . . . . . . . A . 9 B3K N . . . . . . . . . c30498_6e5j 1 . 5 . 1974 . 1 1 9 B3K NZ N -1.865 -8.107 -6.977 . . . 1.0 . . . . . . . . . . . . A . 9 B3K NZ . . . . . . . . . c30498_6e5j 1 . 5 . 1975 . 1 1 9 B3K O O -2.167 -9.108 -0.777 . . . 1.0 . . . . . . . . . . . . A . 9 B3K O . . . . . . . . . c30498_6e5j 1 . 5 . 1976 . 1 1 10 ARG C C -3.486 -7.282 1.838 . . . 1.0 . . . . . . . . . . . . A . 10 ARG C . . . . . . . . . c30498_6e5j 1 . 5 . 1977 . 1 1 10 ARG CA C -2.261 -8.189 1.840 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CA . . . . . . . . . c30498_6e5j 1 . 5 . 1978 . 1 1 10 ARG CB C -1.609 -8.194 3.222 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CB . . . . . . . . . c30498_6e5j 1 . 5 . 1979 . 1 1 10 ARG CD C 0.095 -9.232 4.760 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CD . . . . . . . . . c30498_6e5j 1 . 5 . 1980 . 1 1 10 ARG CG C -0.526 -9.252 3.374 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CG . . . . . . . . . c30498_6e5j 1 . 5 . 1981 . 1 1 10 ARG CZ C 1.937 -7.851 5.655 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CZ . . . . . . . . . c30498_6e5j 1 . 5 . 1982 . 1 1 10 ARG H H -0.597 -7.142 1.063 . . . 1.0 . . . . . . . . . . . . A . 10 ARG H . . . . . . . . . c30498_6e5j 1 . 5 . 1983 . 1 1 10 ARG HA H -2.582 -9.191 1.606 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HA . . . . . . . . . c30498_6e5j 1 . 5 . 1984 . 1 1 10 ARG HB2 H -1.166 -7.223 3.402 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HB2 . . . . . . . . . c30498_6e5j 1 . 5 . 1985 . 1 1 10 ARG HB3 H -2.371 -8.376 3.964 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HB3 . . . . . . . . . c30498_6e5j 1 . 5 . 1986 . 1 1 10 ARG HD2 H -0.683 -9.396 5.493 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HD2 . . . . . . . . . c30498_6e5j 1 . 5 . 1987 . 1 1 10 ARG HD3 H 0.821 -10.028 4.824 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HD3 . . . . . . . . . c30498_6e5j 1 . 5 . 1988 . 1 1 10 ARG HE H 0.291 -7.133 4.776 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HE . . . . . . . . . c30498_6e5j 1 . 5 . 1989 . 1 1 10 ARG HG2 H -0.960 -10.226 3.202 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HG2 . . . . . . . . . c30498_6e5j 1 . 5 . 1990 . 1 1 10 ARG HG3 H 0.247 -9.068 2.643 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HG3 . . . . . . . . . c30498_6e5j 1 . 5 . 1991 . 1 1 10 ARG HH11 H 3.488 -8.854 6.486 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH11 . . . . . . . . . c30498_6e5j 1 . 5 . 1992 . 1 1 10 ARG HH12 H 2.220 -9.848 5.853 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH12 . . . . . . . . . c30498_6e5j 1 . 5 . 1993 . 1 1 10 ARG HH21 H 3.339 -6.557 6.345 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH21 . . . . . . . . . c30498_6e5j 1 . 5 . 1994 . 1 1 10 ARG HH22 H 1.946 -5.828 5.612 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH22 . . . . . . . . . c30498_6e5j 1 . 5 . 1995 . 1 1 10 ARG N N -1.293 -7.795 0.830 . . . 1.0 . . . . . . . . . . . . A . 10 ARG N . . . . . . . . . c30498_6e5j 1 . 5 . 1996 . 1 1 10 ARG NE N 0.759 -7.958 5.047 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NE . . . . . . . . . c30498_6e5j 1 . 5 . 1997 . 1 1 10 ARG NH1 N 2.601 -8.937 6.028 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NH1 . . . . . . . . . c30498_6e5j 1 . 5 . 1998 . 1 1 10 ARG NH2 N 2.451 -6.652 5.888 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NH2 . . . . . . . . . c30498_6e5j 1 . 5 . 1999 . 1 1 10 ARG O O -4.558 -7.689 2.278 . . . 1.0 . . . . . . . . . . . . A . 10 ARG O . . . . . . . . . c30498_6e5j 1 . 5 . 2000 . 1 1 11 TYR C C -5.194 -5.198 -0.042 . . . 1.0 . . . . . . . . . . . . A . 11 TYR C . . . . . . . . . c30498_6e5j 1 . 5 . 2001 . 1 1 11 TYR CA C -4.447 -5.113 1.287 . . . 1.0 . . . . . . . . . . . . A . 11 TYR CA . . . . . . . . . c30498_6e5j 1 . 5 . 2002 . 1 1 11 TYR CB C -3.946 -3.682 1.493 . . . 1.0 . . . . . . . . . . . . A . 11 TYR CB . . . . . . . . . c30498_6e5j 1 . 5 . 2003 . 1 1 11 TYR CD1 C -4.422 -3.383 3.954 . . . 1.0 . . . . . . . . . . . . A . 11 TYR CD1 . . . . . . . . . c30498_6e5j 1 . 5 . 2004 . 1 1 11 TYR CD2 C -2.190 -3.057 3.194 . . . 1.0 . . . . . . . . . . . . A . 11 TYR CD2 . . . . . . . . . c30498_6e5j 1 . 5 . 2005 . 1 1 11 TYR CE1 C -4.026 -3.110 5.248 . . . 1.0 . . . . . . . . . . . . A . 11 TYR CE1 . . . . . . . . . c30498_6e5j 1 . 5 . 2006 . 1 1 11 TYR CE2 C -1.785 -2.781 4.485 . . . 1.0 . . . . . . . . . . . . A . 11 TYR CE2 . . . . . . . . . c30498_6e5j 1 . 5 . 2007 . 1 1 11 TYR CG C -3.513 -3.363 2.906 . . . 1.0 . . . . . . . . . . . . A . 11 TYR CG . . . . . . . . . c30498_6e5j 1 . 5 . 2008 . 1 1 11 TYR CZ C -2.727 -2.741 5.500 . . . 1.0 . . . . . . . . . . . . A . 11 TYR CZ . . . . . . . . . c30498_6e5j 1 . 5 . 2009 . 1 1 11 TYR H H -2.461 -5.789 0.985 . . . 1.0 . . . . . . . . . . . . A . 11 TYR H . . . . . . . . . c30498_6e5j 1 . 5 . 2010 . 1 1 11 TYR HA H -5.127 -5.364 2.087 . . . 1.0 . . . . . . . . . . . . A . 11 TYR HA . . . . . . . . . c30498_6e5j 1 . 5 . 2011 . 1 1 11 TYR HB2 H -3.100 -3.512 0.847 . . . 1.0 . . . . . . . . . . . . A . 11 TYR HB2 . . . . . . . . . c30498_6e5j 1 . 5 . 2012 . 1 1 11 TYR HB3 H -4.736 -2.996 1.226 . . . 1.0 . . . . . . . . . . . . A . 11 TYR HB3 . . . . . . . . . c30498_6e5j 1 . 5 . 2013 . 1 1 11 TYR HD1 H -5.457 -3.616 3.748 . . . 1.0 . . . . . . . . . . . . A . 11 TYR HD1 . . . . . . . . . c30498_6e5j 1 . 5 . 2014 . 1 1 11 TYR HD2 H -1.471 -3.035 2.389 . . . 1.0 . . . . . . . . . . . . A . 11 TYR HD2 . . . . . . . . . c30498_6e5j 1 . 5 . 2015 . 1 1 11 TYR HE1 H -4.750 -3.133 6.049 . . . 1.0 . . . . . . . . . . . . A . 11 TYR HE1 . . . . . . . . . c30498_6e5j 1 . 5 . 2016 . 1 1 11 TYR HE2 H -0.751 -2.544 4.688 . . . 1.0 . . . . . . . . . . . . A . 11 TYR HE2 . . . . . . . . . c30498_6e5j 1 . 5 . 2017 . 1 1 11 TYR HH H -1.673 -1.811 6.794 . . . 1.0 . . . . . . . . . . . . A . 11 TYR HH . . . . . . . . . c30498_6e5j 1 . 5 . 2018 . 1 1 11 TYR N N -3.337 -6.062 1.333 . . . 1.0 . . . . . . . . . . . . A . 11 TYR N . . . . . . . . . c30498_6e5j 1 . 5 . 2019 . 1 1 11 TYR O O -5.881 -4.258 -0.434 . . . 1.0 . . . . . . . . . . . . A . 11 TYR O . . . . . . . . . c30498_6e5j 1 . 5 . 2020 . 1 1 11 TYR OH O -2.309 -2.539 6.801 . . . 1.0 . . . . . . . . . . . . A . 11 TYR OH . . . . . . . . . c30498_6e5j 1 . 5 . 2021 . 1 1 12 ABA C C -7.196 -6.303 -1.991 . . . 1.0 . . . . . . . . . . . . A . 12 AIB C . . . . . . . . . c30498_6e5j 1 . 5 . 2022 . 1 1 12 ABA CA C -5.685 -6.570 -2.032 . . . 1.0 . . . . . . . . . . . . A . 12 AIB CA . . . . . . . . . c30498_6e5j 1 . 5 . 2023 . 1 1 12 ABA H H -4.553 -7.065 -0.303 . . . 1.0 . . . . . . . . . . . . A . 12 AIB H . . . . . . . . . c30498_6e5j 1 . 5 . 2024 . 1 1 12 ABA N N -5.074 -6.345 -0.709 . . . 1.0 . . . . . . . . . . . . A . 12 AIB N . . . . . . . . . c30498_6e5j 1 . 5 . 2025 . 1 1 12 ABA O O -7.769 -5.779 -2.947 . . . 1.0 . . . . . . . . . . . . A . 12 AIB O . . . . . . . . . c30498_6e5j 1 . 5 . 2026 . 1 1 13 GLY C C -9.664 -5.043 -0.455 . . . 1.0 . . . . . . . . . . . . A . 13 GLY C . . . . . . . . . c30498_6e5j 1 . 5 . 2027 . 1 1 13 GLY CA C -9.269 -6.478 -0.757 . . . 1.0 . . . . . . . . . . . . A . 13 GLY CA . . . . . . . . . c30498_6e5j 1 . 5 . 2028 . 1 1 13 GLY H H -7.326 -7.057 -0.143 . . . 1.0 . . . . . . . . . . . . A . 13 GLY H . . . . . . . . . c30498_6e5j 1 . 5 . 2029 . 1 1 13 GLY HA2 H -9.739 -6.781 -1.679 . . . 1.0 . . . . . . . . . . . . A . 13 GLY HA2 . . . . . . . . . c30498_6e5j 1 . 5 . 2030 . 1 1 13 GLY HA3 H -9.629 -7.111 0.039 . . . 1.0 . . . . . . . . . . . . A . 13 GLY HA3 . . . . . . . . . c30498_6e5j 1 . 5 . 2031 . 1 1 13 GLY N N -7.834 -6.659 -0.883 . . . 1.0 . . . . . . . . . . . . A . 13 GLY N . . . . . . . . . c30498_6e5j 1 . 5 . 2032 . 1 1 13 GLY O O -10.846 -4.730 -0.298 . . . 1.0 . . . . . . . . . . . . A . 13 GLY O . . . . . . . . . c30498_6e5j 1 . 5 . 2033 . 1 1 14 CYS C C -8.430 -1.922 -1.269 . . . 1.0 . . . . . . . . . . . . A . 14 CYS C . . . . . . . . . c30498_6e5j 1 . 5 . 2034 . 1 1 14 CYS CA C -8.902 -2.767 -0.096 . . . 1.0 . . . . . . . . . . . . A . 14 CYS CA . . . . . . . . . c30498_6e5j 1 . 5 . 2035 . 1 1 14 CYS CB C -8.142 -2.359 1.168 . . . 1.0 . . . . . . . . . . . . A . 14 CYS CB . . . . . . . . . c30498_6e5j 1 . 5 . 2036 . 1 1 14 CYS H H -7.753 -4.481 -0.516 . . . 1.0 . . . . . . . . . . . . A . 14 CYS H . . . . . . . . . c30498_6e5j 1 . 5 . 2037 . 1 1 14 CYS HA H -9.959 -2.615 0.053 . . . 1.0 . . . . . . . . . . . . A . 14 CYS HA . . . . . . . . . c30498_6e5j 1 . 5 . 2038 . 1 1 14 CYS HB2 H -7.086 -2.504 1.003 . . . 1.0 . . . . . . . . . . . . A . 14 CYS HB2 . . . . . . . . . c30498_6e5j 1 . 5 . 2039 . 1 1 14 CYS HB3 H -8.329 -1.314 1.369 . . . 1.0 . . . . . . . . . . . . A . 14 CYS HB3 . . . . . . . . . c30498_6e5j 1 . 5 . 2040 . 1 1 14 CYS N N -8.674 -4.172 -0.374 . . . 1.0 . . . . . . . . . . . . A . 14 CYS N . . . . . . . . . c30498_6e5j 1 . 5 . 2041 . 1 1 14 CYS O O -7.801 -2.432 -2.198 . . . 1.0 . . . . . . . . . . . . A . 14 CYS O . . . . . . . . . c30498_6e5j 1 . 5 . 2042 . 1 1 14 CYS SG S -8.600 -3.303 2.657 . . . 1.0 . . . . . . . . . . . . A . 14 CYS SG . . . . . . . . . c30498_6e5j 1 . 5 . 2043 . 1 1 15 GLU C C -6.880 0.803 -1.766 . . . 1.0 . . . . . . . . . . . . A . 15 GLU C . . . . . . . . . c30498_6e5j 1 . 5 . 2044 . 1 1 15 GLU CA C -8.234 0.287 -2.236 . . . 1.0 . . . . . . . . . . . . A . 15 GLU CA . . . . . . . . . c30498_6e5j 1 . 5 . 2045 . 1 1 15 GLU CB C -9.205 1.450 -2.456 . . . 1.0 . . . . . . . . . . . . A . 15 GLU CB . . . . . . . . . c30498_6e5j 1 . 5 . 2046 . 1 1 15 GLU CD C -11.476 2.177 -3.281 . . . 1.0 . . . . . . . . . . . . A . 15 GLU CD . . . . . . . . . c30498_6e5j 1 . 5 . 2047 . 1 1 15 GLU CG C -10.597 1.010 -2.886 . . . 1.0 . . . . . . . . . . . . A . 15 GLU CG . . . . . . . . . c30498_6e5j 1 . 5 . 2048 . 1 1 15 GLU H H -9.322 -0.300 -0.515 . . . 1.0 . . . . . . . . . . . . A . 15 GLU H . . . . . . . . . c30498_6e5j 1 . 5 . 2049 . 1 1 15 GLU HA H -8.106 -0.255 -3.160 . . . 1.0 . . . . . . . . . . . . A . 15 GLU HA . . . . . . . . . c30498_6e5j 1 . 5 . 2050 . 1 1 15 GLU HB2 H -9.295 2.007 -1.536 . . . 1.0 . . . . . . . . . . . . A . 15 GLU HB2 . . . . . . . . . c30498_6e5j 1 . 5 . 2051 . 1 1 15 GLU HB3 H -8.804 2.098 -3.221 . . . 1.0 . . . . . . . . . . . . A . 15 GLU HB3 . . . . . . . . . c30498_6e5j 1 . 5 . 2052 . 1 1 15 GLU HG2 H -10.507 0.343 -3.730 . . . 1.0 . . . . . . . . . . . . A . 15 GLU HG2 . . . . . . . . . c30498_6e5j 1 . 5 . 2053 . 1 1 15 GLU HG3 H -11.066 0.488 -2.065 . . . 1.0 . . . . . . . . . . . . A . 15 GLU HG3 . . . . . . . . . c30498_6e5j 1 . 5 . 2054 . 1 1 15 GLU N N -8.746 -0.638 -1.237 . . . 1.0 . . . . . . . . . . . . A . 15 GLU N . . . . . . . . . c30498_6e5j 1 . 5 . 2055 . 1 1 15 GLU O O -6.807 1.509 -0.761 . . . 1.0 . . . . . . . . . . . . A . 15 GLU O . . . . . . . . . c30498_6e5j 1 . 5 . 2056 . 1 1 15 GLU OE1 O -11.942 2.909 -2.381 . . . 1.0 . . . . . . . . . . . . A . 15 GLU OE1 . . . . . . . . . c30498_6e5j 1 . 5 . 2057 . 1 1 15 GLU OE2 O -11.704 2.373 -4.494 . . . 1.0 . . . . . . . . . . . . A . 15 GLU OE2 . . . . . . . . . c30498_6e5j 1 . 5 . 2058 . 1 1 16 MVA C C -3.408 1.122 -2.986 . . . 1.0 . . . . . . . . . . . . A . 16 MVA C . . . . . . . . . c30498_6e5j 1 . 5 . 2059 . 1 1 16 MVA CA C -4.441 0.724 -1.925 . . . 1.0 . . . . . . . . . . . . A . 16 MVA CA . . . . . . . . . c30498_6e5j 1 . 5 . 2060 . 1 1 16 MVA CB C -3.912 -0.498 -1.115 . . . 1.0 . . . . . . . . . . . . A . 16 MVA CB . . . . . . . . . c30498_6e5j 1 . 5 . 2061 . 1 1 16 MVA CG1 C -3.951 -1.783 -1.931 . . . 1.0 . . . . . . . . . . . . A . 16 MVA CG1 . . . . . . . . . c30498_6e5j 1 . 5 . 2062 . 1 1 16 MVA CG2 C -2.499 -0.237 -0.600 . . . 1.0 . . . . . . . . . . . . A . 16 MVA CG2 . . . . . . . . . c30498_6e5j 1 . 5 . 2063 . 1 1 16 MVA CN C -5.957 -0.106 -3.829 . . . 1.0 . . . . . . . . . . . . A . 16 MVA CN . . . . . . . . . c30498_6e5j 1 . 5 . 2064 . 1 1 16 MVA HA H -4.502 1.548 -1.227 . . . 1.0 . . . . . . . . . . . . A . 16 MVA HA . . . . . . . . . c30498_6e5j 1 . 5 . 2065 . 1 1 16 MVA HB H -4.556 -0.634 -0.259 . . . 1.0 . . . . . . . . . . . . A . 16 MVA HB . . . . . . . . . c30498_6e5j 1 . 5 . 2066 . 1 1 16 MVA HG11 H -3.362 -1.657 -2.826 . . . 1.0 . . . . . . . . . . . . A . 16 MVA HG11 . . . . . . . . . c30498_6e5j 1 . 5 . 2067 . 1 1 16 MVA HG12 H -4.973 -2.006 -2.200 . . . 1.0 . . . . . . . . . . . . A . 16 MVA HG12 . . . . . . . . . c30498_6e5j 1 . 5 . 2068 . 1 1 16 MVA HG13 H -3.548 -2.594 -1.345 . . . 1.0 . . . . . . . . . . . . A . 16 MVA HG13 . . . . . . . . . c30498_6e5j 1 . 5 . 2069 . 1 1 16 MVA HG21 H -2.490 0.669 -0.010 . . . 1.0 . . . . . . . . . . . . A . 16 MVA HG21 . . . . . . . . . c30498_6e5j 1 . 5 . 2070 . 1 1 16 MVA HG22 H -1.827 -0.125 -1.437 . . . 1.0 . . . . . . . . . . . . A . 16 MVA HG22 . . . . . . . . . c30498_6e5j 1 . 5 . 2071 . 1 1 16 MVA HG23 H -2.179 -1.068 0.010 . . . 1.0 . . . . . . . . . . . . A . 16 MVA HG23 . . . . . . . . . c30498_6e5j 1 . 5 . 2072 . 1 1 16 MVA HN1 H -4.997 -0.146 -4.323 . . . 1.0 . . . . . . . . . . . . A . 16 MVA HN1 . . . . . . . . . c30498_6e5j 1 . 5 . 2073 . 1 1 16 MVA HN2 H -6.631 0.514 -4.402 . . . 1.0 . . . . . . . . . . . . A . 16 MVA HN2 . . . . . . . . . c30498_6e5j 1 . 5 . 2074 . 1 1 16 MVA HN3 H -6.361 -1.104 -3.752 . . . 1.0 . . . . . . . . . . . . A . 16 MVA HN3 . . . . . . . . . c30498_6e5j 1 . 5 . 2075 . 1 1 16 MVA N N -5.791 0.469 -2.473 . . . 1.0 . . . . . . . . . . . . A . 16 MVA N . . . . . . . . . c30498_6e5j 1 . 5 . 2076 . 1 1 16 MVA O O -3.105 0.379 -3.923 . . . 1.0 . . . . . . . . . . . . A . 16 MVA O . . . . . . . . . c30498_6e5j 1 . 5 . 2077 . 1 1 17 ARG C C -0.555 3.097 -2.996 . . . 1.0 . . . . . . . . . . . . A . 17 ARG C . . . . . . . . . c30498_6e5j 1 . 5 . 2078 . 1 1 17 ARG CA C -1.861 2.834 -3.727 . . . 1.0 . . . . . . . . . . . . A . 17 ARG CA . . . . . . . . . c30498_6e5j 1 . 5 . 2079 . 1 1 17 ARG CB C -2.364 4.129 -4.364 . . . 1.0 . . . . . . . . . . . . A . 17 ARG CB . . . . . . . . . c30498_6e5j 1 . 5 . 2080 . 1 1 17 ARG CD C -4.143 5.305 -5.691 . . . 1.0 . . . . . . . . . . . . A . 17 ARG CD . . . . . . . . . c30498_6e5j 1 . 5 . 2081 . 1 1 17 ARG CG C -3.676 3.976 -5.118 . . . 1.0 . . . . . . . . . . . . A . 17 ARG CG . . . . . . . . . c30498_6e5j 1 . 5 . 2082 . 1 1 17 ARG CZ C -6.415 6.140 -6.184 . . . 1.0 . . . . . . . . . . . . A . 17 ARG CZ . . . . . . . . . c30498_6e5j 1 . 5 . 2083 . 1 1 17 ARG H H -3.094 2.833 -2.012 . . . 1.0 . . . . . . . . . . . . A . 17 ARG H . . . . . . . . . c30498_6e5j 1 . 5 . 2084 . 1 1 17 ARG HA H -1.692 2.099 -4.497 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HA . . . . . . . . . c30498_6e5j 1 . 5 . 2085 . 1 1 17 ARG HB2 H -2.504 4.864 -3.587 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HB2 . . . . . . . . . c30498_6e5j 1 . 5 . 2086 . 1 1 17 ARG HB3 H -1.616 4.488 -5.055 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HB3 . . . . . . . . . c30498_6e5j 1 . 5 . 2087 . 1 1 17 ARG HD2 H -4.186 6.030 -4.893 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HD2 . . . . . . . . . c30498_6e5j 1 . 5 . 2088 . 1 1 17 ARG HD3 H -3.428 5.634 -6.432 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HD3 . . . . . . . . . c30498_6e5j 1 . 5 . 2089 . 1 1 17 ARG HE H -5.648 4.420 -6.876 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HE . . . . . . . . . c30498_6e5j 1 . 5 . 2090 . 1 1 17 ARG HG2 H -3.535 3.274 -5.925 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HG2 . . . . . . . . . c30498_6e5j 1 . 5 . 2091 . 1 1 17 ARG HG3 H -4.429 3.601 -4.439 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HG3 . . . . . . . . . c30498_6e5j 1 . 5 . 2092 . 1 1 17 ARG HH11 H -5.325 7.329 -4.953 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HH11 . . . . . . . . . c30498_6e5j 1 . 5 . 2093 . 1 1 17 ARG HH12 H -6.913 7.914 -5.336 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HH12 . . . . . . . . . c30498_6e5j 1 . 5 . 2094 . 1 1 17 ARG HH21 H -8.298 6.692 -6.704 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HH21 . . . . . . . . . c30498_6e5j 1 . 5 . 2095 . 1 1 17 ARG HH22 H -7.754 5.184 -7.367 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HH22 . . . . . . . . . c30498_6e5j 1 . 5 . 2096 . 1 1 17 ARG N N -2.850 2.306 -2.807 . . . 1.0 . . . . . . . . . . . . A . 17 ARG N . . . . . . . . . c30498_6e5j 1 . 5 . 2097 . 1 1 17 ARG NE N -5.466 5.212 -6.317 . . . 1.0 . . . . . . . . . . . . A . 17 ARG NE . . . . . . . . . c30498_6e5j 1 . 5 . 2098 . 1 1 17 ARG NH1 N -6.200 7.212 -5.429 . . . 1.0 . . . . . . . . . . . . A . 17 ARG NH1 . . . . . . . . . c30498_6e5j 1 . 5 . 2099 . 1 1 17 ARG NH2 N -7.582 5.994 -6.802 . . . 1.0 . . . . . . . . . . . . A . 17 ARG NH2 . . . . . . . . . c30498_6e5j 1 . 5 . 2100 . 1 1 17 ARG O O -0.550 3.646 -1.894 . . . 1.0 . . . . . . . . . . . . A . 17 ARG O . . . . . . . . . c30498_6e5j 1 . 5 . 2101 . 1 1 18 CYS C C 2.378 4.288 -3.560 . . . 1.0 . . . . . . . . . . . . A . 18 CYS C . . . . . . . . . c30498_6e5j 1 . 5 . 2102 . 1 1 18 CYS CA C 1.854 2.960 -3.030 . . . 1.0 . . . . . . . . . . . . A . 18 CYS CA . . . . . . . . . c30498_6e5j 1 . 5 . 2103 . 1 1 18 CYS CB C 2.829 1.823 -3.361 . . . 1.0 . . . . . . . . . . . . A . 18 CYS CB . . . . . . . . . c30498_6e5j 1 . 5 . 2104 . 1 1 18 CYS H H 0.482 2.227 -4.462 . . . 1.0 . . . . . . . . . . . . A . 18 CYS H . . . . . . . . . c30498_6e5j 1 . 5 . 2105 . 1 1 18 CYS HA H 1.737 3.028 -1.957 . . . 1.0 . . . . . . . . . . . . A . 18 CYS HA . . . . . . . . . c30498_6e5j 1 . 5 . 2106 . 1 1 18 CYS HB2 H 3.768 2.008 -2.863 . . . 1.0 . . . . . . . . . . . . A . 18 CYS HB2 . . . . . . . . . c30498_6e5j 1 . 5 . 2107 . 1 1 18 CYS HB3 H 2.413 0.896 -2.998 . . . 1.0 . . . . . . . . . . . . A . 18 CYS HB3 . . . . . . . . . c30498_6e5j 1 . 5 . 2108 . 1 1 18 CYS N N 0.547 2.698 -3.603 . . . 1.0 . . . . . . . . . . . . A . 18 CYS N . . . . . . . . . c30498_6e5j 1 . 5 . 2109 . 1 1 18 CYS O O 2.312 4.554 -4.760 . . . 1.0 . . . . . . . . . . . . A . 18 CYS O . . . . . . . . . c30498_6e5j 1 . 5 . 2110 . 1 1 18 CYS SG S 3.178 1.615 -5.141 . . . 1.0 . . . . . . . . . . . . A . 18 CYS SG . . . . . . . . . c30498_6e5j 1 . 5 . 2111 . 1 1 19 ASP C C 4.703 6.719 -2.417 . . . 1.0 . . . . . . . . . . . . A . 19 ASP C . . . . . . . . . c30498_6e5j 1 . 5 . 2112 . 1 1 19 ASP CA C 3.350 6.446 -3.063 . . . 1.0 . . . . . . . . . . . . A . 19 ASP CA . . . . . . . . . c30498_6e5j 1 . 5 . 2113 . 1 1 19 ASP CB C 2.336 7.516 -2.649 . . . 1.0 . . . . . . . . . . . . A . 19 ASP CB . . . . . . . . . c30498_6e5j 1 . 5 . 2114 . 1 1 19 ASP CG C 2.511 8.817 -3.409 . . . 1.0 . . . . . . . . . . . . A . 19 ASP CG . . . . . . . . . c30498_6e5j 1 . 5 . 2115 . 1 1 19 ASP H H 2.926 4.866 -1.724 . . . 1.0 . . . . . . . . . . . . A . 19 ASP H . . . . . . . . . c30498_6e5j 1 . 5 . 2116 . 1 1 19 ASP HA H 3.461 6.456 -4.135 . . . 1.0 . . . . . . . . . . . . A . 19 ASP HA . . . . . . . . . c30498_6e5j 1 . 5 . 2117 . 1 1 19 ASP HB2 H 1.339 7.147 -2.831 . . . 1.0 . . . . . . . . . . . . A . 19 ASP HB2 . . . . . . . . . c30498_6e5j 1 . 5 . 2118 . 1 1 19 ASP HB3 H 2.452 7.720 -1.595 . . . 1.0 . . . . . . . . . . . . A . 19 ASP HB3 . . . . . . . . . c30498_6e5j 1 . 5 . 2119 . 1 1 19 ASP N N 2.872 5.131 -2.671 . . . 1.0 . . . . . . . . . . . . A . 19 ASP N . . . . . . . . . c30498_6e5j 1 . 5 . 2120 . 1 1 19 ASP O O 4.787 7.416 -1.405 . . . 1.0 . . . . . . . . . . . . A . 19 ASP O . . . . . . . . . c30498_6e5j 1 . 5 . 2121 . 1 1 19 ASP OD1 O 3.511 9.523 -3.155 . . . 1.0 . . . . . . . . . . . . A . 19 ASP OD1 . . . . . . . . . c30498_6e5j 1 . 5 . 2122 . 1 1 19 ASP OD2 O 1.655 9.145 -4.259 . . . 1.0 . . . . . . . . . . . . A . 19 ASP OD2 . . . . . . . . . c30498_6e5j 1 . 5 . 2123 . 1 1 20 DPR C C 7.179 5.631 -1.031 . . . 1.0 . . . . . . . . . . . . A . 20 DPR C . . . . . . . . . c30498_6e5j 1 . 5 . 2124 . 1 1 20 DPR CA C 7.124 6.268 -2.415 . . . 1.0 . . . . . . . . . . . . A . 20 DPR CA . . . . . . . . . c30498_6e5j 1 . 5 . 2125 . 1 1 20 DPR CB C 8.015 5.506 -3.398 . . . 1.0 . . . . . . . . . . . . A . 20 DPR CB . . . . . . . . . c30498_6e5j 1 . 5 . 2126 . 1 1 20 DPR CD C 5.789 5.401 -4.249 . . . 1.0 . . . . . . . . . . . . A . 20 DPR CD . . . . . . . . . c30498_6e5j 1 . 5 . 2127 . 1 1 20 DPR CG C 7.232 5.443 -4.662 . . . 1.0 . . . . . . . . . . . . A . 20 DPR CG . . . . . . . . . c30498_6e5j 1 . 5 . 2128 . 1 1 20 DPR HA H 7.453 7.291 -2.355 . . . 1.0 . . . . . . . . . . . . A . 20 DPR HA . . . . . . . . . c30498_6e5j 1 . 5 . 2129 . 1 1 20 DPR HB2 H 8.219 4.519 -3.010 . . . 1.0 . . . . . . . . . . . . A . 20 DPR HB2 . . . . . . . . . c30498_6e5j 1 . 5 . 2130 . 1 1 20 DPR HB3 H 8.942 6.043 -3.535 . . . 1.0 . . . . . . . . . . . . A . 20 DPR HB3 . . . . . . . . . c30498_6e5j 1 . 5 . 2131 . 1 1 20 DPR HD2 H 5.470 4.383 -4.085 . . . 1.0 . . . . . . . . . . . . A . 20 DPR HD2 . . . . . . . . . c30498_6e5j 1 . 5 . 2132 . 1 1 20 DPR HD3 H 5.170 5.878 -4.993 . . . 1.0 . . . . . . . . . . . . A . 20 DPR HD3 . . . . . . . . . c30498_6e5j 1 . 5 . 2133 . 1 1 20 DPR HG2 H 7.491 4.551 -5.211 . . . 1.0 . . . . . . . . . . . . A . 20 DPR HG2 . . . . . . . . . c30498_6e5j 1 . 5 . 2134 . 1 1 20 DPR HG3 H 7.426 6.322 -5.257 . . . 1.0 . . . . . . . . . . . . A . 20 DPR HG3 . . . . . . . . . c30498_6e5j 1 . 5 . 2135 . 1 1 20 DPR N N 5.782 6.163 -2.991 . . . 1.0 . . . . . . . . . . . . A . 20 DPR N . . . . . . . . . c30498_6e5j 1 . 5 . 2136 . 1 1 20 DPR O O 6.896 4.442 -0.871 . . . 1.0 . . . . . . . . . . . . A . 20 DPR O . . . . . . . . . c30498_6e5j 1 . 5 . 2137 . 1 1 21 PRO C C 6.181 5.942 2.019 . . . 1.0 . . . . . . . . . . . . A . 21 PRO C . . . . . . . . . c30498_6e5j 1 . 5 . 2138 . 1 1 21 PRO CA C 7.566 5.952 1.376 . . . 1.0 . . . . . . . . . . . . A . 21 PRO CA . . . . . . . . . c30498_6e5j 1 . 5 . 2139 . 1 1 21 PRO CB C 8.460 6.984 2.056 . . . 1.0 . . . . . . . . . . . . A . 21 PRO CB . . . . . . . . . c30498_6e5j 1 . 5 . 2140 . 1 1 21 PRO CD C 7.944 7.831 -0.125 . . . 1.0 . . . . . . . . . . . . A . 21 PRO CD . . . . . . . . . c30498_6e5j 1 . 5 . 2141 . 1 1 21 PRO CG C 8.208 8.243 1.301 . . . 1.0 . . . . . . . . . . . . A . 21 PRO CG . . . . . . . . . c30498_6e5j 1 . 5 . 2142 . 1 1 21 PRO HA H 8.012 4.972 1.454 . . . 1.0 . . . . . . . . . . . . A . 21 PRO HA . . . . . . . . . c30498_6e5j 1 . 5 . 2143 . 1 1 21 PRO HB2 H 8.179 7.081 3.095 . . . 1.0 . . . . . . . . . . . . A . 21 PRO HB2 . . . . . . . . . c30498_6e5j 1 . 5 . 2144 . 1 1 21 PRO HB3 H 9.493 6.679 1.981 . . . 1.0 . . . . . . . . . . . . A . 21 PRO HB3 . . . . . . . . . c30498_6e5j 1 . 5 . 2145 . 1 1 21 PRO HD2 H 7.152 8.429 -0.549 . . . 1.0 . . . . . . . . . . . . A . 21 PRO HD2 . . . . . . . . . c30498_6e5j 1 . 5 . 2146 . 1 1 21 PRO HD3 H 8.843 7.919 -0.716 . . . 1.0 . . . . . . . . . . . . A . 21 PRO HD3 . . . . . . . . . c30498_6e5j 1 . 5 . 2147 . 1 1 21 PRO HG2 H 7.347 8.748 1.708 . . . 1.0 . . . . . . . . . . . . A . 21 PRO HG2 . . . . . . . . . c30498_6e5j 1 . 5 . 2148 . 1 1 21 PRO HG3 H 9.077 8.881 1.350 . . . 1.0 . . . . . . . . . . . . A . 21 PRO HG3 . . . . . . . . . c30498_6e5j 1 . 5 . 2149 . 1 1 21 PRO N N 7.530 6.419 -0.009 . . . 1.0 . . . . . . . . . . . . A . 21 PRO N . . . . . . . . . c30498_6e5j 1 . 5 . 2150 . 1 1 21 PRO O O 6.034 5.644 3.207 . . . 1.0 . . . . . . . . . . . . A . 21 PRO O . . . . . . . . . c30498_6e5j 1 . 5 . 2151 . 1 1 22 ARG C C 2.943 5.266 1.120 . . . 1.0 . . . . . . . . . . . . A . 22 ARG C . . . . . . . . . c30498_6e5j 1 . 5 . 2152 . 1 1 22 ARG CA C 3.807 6.355 1.734 . . . 1.0 . . . . . . . . . . . . A . 22 ARG CA . . . . . . . . . c30498_6e5j 1 . 5 . 2153 . 1 1 22 ARG CB C 3.205 7.729 1.444 . . . 1.0 . . . . . . . . . . . . A . 22 ARG CB . . . . . . . . . c30498_6e5j 1 . 5 . 2154 . 1 1 22 ARG CD C 3.936 8.678 3.651 . . . 1.0 . . . . . . . . . . . . A . 22 ARG CD . . . . . . . . . c30498_6e5j 1 . 5 . 2155 . 1 1 22 ARG CG C 3.929 8.865 2.143 . . . 1.0 . . . . . . . . . . . . A . 22 ARG CG . . . . . . . . . c30498_6e5j 1 . 5 . 2156 . 1 1 22 ARG CZ C 4.843 9.805 5.644 . . . 1.0 . . . . . . . . . . . . A . 22 ARG CZ . . . . . . . . . c30498_6e5j 1 . 5 . 2157 . 1 1 22 ARG H H 5.342 6.488 0.288 . . . 1.0 . . . . . . . . . . . . A . 22 ARG H . . . . . . . . . c30498_6e5j 1 . 5 . 2158 . 1 1 22 ARG HA H 3.842 6.206 2.801 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HA . . . . . . . . . c30498_6e5j 1 . 5 . 2159 . 1 1 22 ARG HB2 H 3.243 7.906 0.379 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HB2 . . . . . . . . . c30498_6e5j 1 . 5 . 2160 . 1 1 22 ARG HB3 H 2.173 7.735 1.765 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HB3 . . . . . . . . . c30498_6e5j 1 . 5 . 2161 . 1 1 22 ARG HD2 H 2.917 8.622 4.002 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HD2 . . . . . . . . . c30498_6e5j 1 . 5 . 2162 . 1 1 22 ARG HD3 H 4.446 7.754 3.883 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HD3 . . . . . . . . . c30498_6e5j 1 . 5 . 2163 . 1 1 22 ARG HE H 4.905 10.537 3.782 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HE . . . . . . . . . c30498_6e5j 1 . 5 . 2164 . 1 1 22 ARG HG2 H 4.949 8.896 1.789 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HG2 . . . . . . . . . c30498_6e5j 1 . 5 . 2165 . 1 1 22 ARG HG3 H 3.435 9.795 1.905 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HG3 . . . . . . . . . c30498_6e5j 1 . 5 . 2166 . 1 1 22 ARG HH11 H 4.669 8.804 7.398 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HH11 . . . . . . . . . c30498_6e5j 1 . 5 . 2167 . 1 1 22 ARG HH12 H 4.062 7.969 6.004 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HH12 . . . . . . . . . c30498_6e5j 1 . 5 . 2168 . 1 1 22 ARG HH21 H 5.618 10.879 7.173 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HH21 . . . . . . . . . c30498_6e5j 1 . 5 . 2169 . 1 1 22 ARG HH22 H 5.727 11.622 5.609 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HH22 . . . . . . . . . c30498_6e5j 1 . 5 . 2170 . 1 1 22 ARG N N 5.168 6.284 1.234 . . . 1.0 . . . . . . . . . . . . A . 22 ARG N . . . . . . . . . c30498_6e5j 1 . 5 . 2171 . 1 1 22 ARG NE N 4.612 9.775 4.335 . . . 1.0 . . . . . . . . . . . . A . 22 ARG NE . . . . . . . . . c30498_6e5j 1 . 5 . 2172 . 1 1 22 ARG NH1 N 4.494 8.778 6.410 . . . 1.0 . . . . . . . . . . . . A . 22 ARG NH1 . . . . . . . . . c30498_6e5j 1 . 5 . 2173 . 1 1 22 ARG NH2 N 5.442 10.852 6.184 . . . 1.0 . . . . . . . . . . . . A . 22 ARG NH2 . . . . . . . . . c30498_6e5j 1 . 5 . 2174 . 1 1 22 ARG O O 3.198 4.804 0.007 . . . 1.0 . . . . . . . . . . . . A . 22 ARG O . . . . . . . . . c30498_6e5j 1 . 5 . 2175 . 1 1 23 TYR C C -0.412 4.194 1.739 . . . 1.0 . . . . . . . . . . . . A . 23 TYR C . . . . . . . . . c30498_6e5j 1 . 5 . 2176 . 1 1 23 TYR CA C 1.024 3.808 1.424 . . . 1.0 . . . . . . . . . . . . A . 23 TYR CA . . . . . . . . . c30498_6e5j 1 . 5 . 2177 . 1 1 23 TYR CB C 1.370 2.488 2.111 . . . 1.0 . . . . . . . . . . . . A . 23 TYR CB . . . . . . . . . c30498_6e5j 1 . 5 . 2178 . 1 1 23 TYR CD1 C 3.814 2.347 2.735 . . . 1.0 . . . . . . . . . . . . A . 23 TYR CD1 . . . . . . . . . c30498_6e5j 1 . 5 . 2179 . 1 1 23 TYR CD2 C 3.092 1.276 0.733 . . . 1.0 . . . . . . . . . . . . A . 23 TYR CD2 . . . . . . . . . c30498_6e5j 1 . 5 . 2180 . 1 1 23 TYR CE1 C 5.108 1.929 2.497 . . . 1.0 . . . . . . . . . . . . A . 23 TYR CE1 . . . . . . . . . c30498_6e5j 1 . 5 . 2181 . 1 1 23 TYR CE2 C 4.382 0.855 0.488 . . . 1.0 . . . . . . . . . . . . A . 23 TYR CE2 . . . . . . . . . c30498_6e5j 1 . 5 . 2182 . 1 1 23 TYR CG C 2.785 2.027 1.856 . . . 1.0 . . . . . . . . . . . . A . 23 TYR CG . . . . . . . . . c30498_6e5j 1 . 5 . 2183 . 1 1 23 TYR CZ C 5.387 1.183 1.372 . . . 1.0 . . . . . . . . . . . . A . 23 TYR CZ . . . . . . . . . c30498_6e5j 1 . 5 . 2184 . 1 1 23 TYR H H 1.776 5.278 2.734 . . . 1.0 . . . . . . . . . . . . A . 23 TYR H . . . . . . . . . c30498_6e5j 1 . 5 . 2185 . 1 1 23 TYR HA H 1.134 3.691 0.356 . . . 1.0 . . . . . . . . . . . . A . 23 TYR HA . . . . . . . . . c30498_6e5j 1 . 5 . 2186 . 1 1 23 TYR HB2 H 1.245 2.601 3.178 . . . 1.0 . . . . . . . . . . . . A . 23 TYR HB2 . . . . . . . . . c30498_6e5j 1 . 5 . 2187 . 1 1 23 TYR HB3 H 0.699 1.719 1.754 . . . 1.0 . . . . . . . . . . . . A . 23 TYR HB3 . . . . . . . . . c30498_6e5j 1 . 5 . 2188 . 1 1 23 TYR HD1 H 3.591 2.933 3.614 . . . 1.0 . . . . . . . . . . . . A . 23 TYR HD1 . . . . . . . . . c30498_6e5j 1 . 5 . 2189 . 1 1 23 TYR HD2 H 2.303 1.022 0.042 . . . 1.0 . . . . . . . . . . . . A . 23 TYR HD2 . . . . . . . . . c30498_6e5j 1 . 5 . 2190 . 1 1 23 TYR HE1 H 5.894 2.188 3.190 . . . 1.0 . . . . . . . . . . . . A . 23 TYR HE1 . . . . . . . . . c30498_6e5j 1 . 5 . 2191 . 1 1 23 TYR HE2 H 4.599 0.272 -0.391 . . . 1.0 . . . . . . . . . . . . A . 23 TYR HE2 . . . . . . . . . c30498_6e5j 1 . 5 . 2192 . 1 1 23 TYR HH H 6.898 0.951 0.206 . . . 1.0 . . . . . . . . . . . . A . 23 TYR HH . . . . . . . . . c30498_6e5j 1 . 5 . 2193 . 1 1 23 TYR N N 1.928 4.858 1.860 . . . 1.0 . . . . . . . . . . . . A . 23 TYR N . . . . . . . . . c30498_6e5j 1 . 5 . 2194 . 1 1 23 TYR O O -0.818 4.219 2.901 . . . 1.0 . . . . . . . . . . . . A . 23 TYR O . . . . . . . . . c30498_6e5j 1 . 5 . 2195 . 1 1 23 TYR OH O 6.672 0.762 1.125 . . . 1.0 . . . . . . . . . . . . A . 23 TYR OH . . . . . . . . . c30498_6e5j 1 . 5 . 2196 . 1 1 24 GLU C C -3.467 3.678 0.767 . . . 1.0 . . . . . . . . . . . . A . 24 GLU C . . . . . . . . . c30498_6e5j 1 . 5 . 2197 . 1 1 24 GLU CA C -2.558 4.894 0.870 . . . 1.0 . . . . . . . . . . . . A . 24 GLU CA . . . . . . . . . c30498_6e5j 1 . 5 . 2198 . 1 1 24 GLU CB C -2.940 5.936 -0.182 . . . 1.0 . . . . . . . . . . . . A . 24 GLU CB . . . . . . . . . c30498_6e5j 1 . 5 . 2199 . 1 1 24 GLU CD C -2.502 7.892 1.350 . . . 1.0 . . . . . . . . . . . . A . 24 GLU CD . . . . . . . . . c30498_6e5j 1 . 5 . 2200 . 1 1 24 GLU CG C -2.228 7.266 -0.004 . . . 1.0 . . . . . . . . . . . . A . 24 GLU CG . . . . . . . . . c30498_6e5j 1 . 5 . 2201 . 1 1 24 GLU H H -0.801 4.419 -0.203 . . . 1.0 . . . . . . . . . . . . A . 24 GLU H . . . . . . . . . c30498_6e5j 1 . 5 . 2202 . 1 1 24 GLU HA H -2.661 5.329 1.850 . . . 1.0 . . . . . . . . . . . . A . 24 GLU HA . . . . . . . . . c30498_6e5j 1 . 5 . 2203 . 1 1 24 GLU HB2 H -2.695 5.548 -1.159 . . . 1.0 . . . . . . . . . . . . A . 24 GLU HB2 . . . . . . . . . c30498_6e5j 1 . 5 . 2204 . 1 1 24 GLU HB3 H -4.004 6.108 -0.131 . . . 1.0 . . . . . . . . . . . . A . 24 GLU HB3 . . . . . . . . . c30498_6e5j 1 . 5 . 2205 . 1 1 24 GLU HG2 H -1.165 7.109 -0.102 . . . 1.0 . . . . . . . . . . . . A . 24 GLU HG2 . . . . . . . . . c30498_6e5j 1 . 5 . 2206 . 1 1 24 GLU HG3 H -2.564 7.946 -0.773 . . . 1.0 . . . . . . . . . . . . A . 24 GLU HG3 . . . . . . . . . c30498_6e5j 1 . 5 . 2207 . 1 1 24 GLU N N -1.174 4.493 0.704 . . . 1.0 . . . . . . . . . . . . A . 24 GLU N . . . . . . . . . c30498_6e5j 1 . 5 . 2208 . 1 1 24 GLU O O -3.375 2.922 -0.195 . . . 1.0 . . . . . . . . . . . . A . 24 GLU O . . . . . . . . . c30498_6e5j 1 . 5 . 2209 . 1 1 24 GLU OE1 O -3.606 8.442 1.545 . . . 1.0 . . . . . . . . . . . . A . 24 GLU OE1 . . . . . . . . . c30498_6e5j 1 . 5 . 2210 . 1 1 24 GLU OE2 O -1.616 7.837 2.226 . . . 1.0 . . . . . . . . . . . . A . 24 GLU OE2 . . . . . . . . . c30498_6e5j 1 . 5 . 2211 . 1 1 25 MVA C C -6.537 2.427 2.459 . . . 1.0 . . . . . . . . . . . . A . 25 MVA C . . . . . . . . . c30498_6e5j 1 . 5 . 2212 . 1 1 25 MVA CA C -5.186 2.245 1.756 . . . 1.0 . . . . . . . . . . . . A . 25 MVA CA . . . . . . . . . c30498_6e5j 1 . 5 . 2213 . 1 1 25 MVA CB C -4.420 1.047 2.390 . . . 1.0 . . . . . . . . . . . . A . 25 MVA CB . . . . . . . . . c30498_6e5j 1 . 5 . 2214 . 1 1 25 MVA CG1 C -3.838 1.391 3.753 . . . 1.0 . . . . . . . . . . . . A . 25 MVA CG1 . . . . . . . . . c30498_6e5j 1 . 5 . 2215 . 1 1 25 MVA CG2 C -5.324 -0.170 2.489 . . . 1.0 . . . . . . . . . . . . A . 25 MVA CG2 . . . . . . . . . c30498_6e5j 1 . 5 . 2216 . 1 1 25 MVA CN C -4.547 4.503 2.787 . . . 1.0 . . . . . . . . . . . . A . 25 MVA CN . . . . . . . . . c30498_6e5j 1 . 5 . 2217 . 1 1 25 MVA HA H -5.404 1.965 0.734 . . . 1.0 . . . . . . . . . . . . A . 25 MVA HA . . . . . . . . . c30498_6e5j 1 . 5 . 2218 . 1 1 25 MVA HB H -3.598 0.795 1.735 . . . 1.0 . . . . . . . . . . . . A . 25 MVA HB . . . . . . . . . c30498_6e5j 1 . 5 . 2219 . 1 1 25 MVA HG11 H -3.365 0.516 4.174 . . . 1.0 . . . . . . . . . . . . A . 25 MVA HG11 . . . . . . . . . c30498_6e5j 1 . 5 . 2220 . 1 1 25 MVA HG12 H -4.628 1.725 4.407 . . . 1.0 . . . . . . . . . . . . A . 25 MVA HG12 . . . . . . . . . c30498_6e5j 1 . 5 . 2221 . 1 1 25 MVA HG13 H -3.105 2.177 3.643 . . . 1.0 . . . . . . . . . . . . A . 25 MVA HG13 . . . . . . . . . c30498_6e5j 1 . 5 . 2222 . 1 1 25 MVA HG21 H -4.770 -0.997 2.906 . . . 1.0 . . . . . . . . . . . . A . 25 MVA HG21 . . . . . . . . . c30498_6e5j 1 . 5 . 2223 . 1 1 25 MVA HG22 H -5.682 -0.435 1.506 . . . 1.0 . . . . . . . . . . . . A . 25 MVA HG22 . . . . . . . . . c30498_6e5j 1 . 5 . 2224 . 1 1 25 MVA HG23 H -6.165 0.058 3.127 . . . 1.0 . . . . . . . . . . . . A . 25 MVA HG23 . . . . . . . . . c30498_6e5j 1 . 5 . 2225 . 1 1 25 MVA HN1 H -4.691 5.465 2.320 . . . 1.0 . . . . . . . . . . . . A . 25 MVA HN1 . . . . . . . . . c30498_6e5j 1 . 5 . 2226 . 1 1 25 MVA HN2 H -3.673 4.536 3.420 . . . 1.0 . . . . . . . . . . . . A . 25 MVA HN2 . . . . . . . . . c30498_6e5j 1 . 5 . 2227 . 1 1 25 MVA HN3 H -5.415 4.260 3.382 . . . 1.0 . . . . . . . . . . . . A . 25 MVA HN3 . . . . . . . . . c30498_6e5j 1 . 5 . 2228 . 1 1 25 MVA N N -4.363 3.470 1.744 . . . 1.0 . . . . . . . . . . . . A . 25 MVA N . . . . . . . . . c30498_6e5j 1 . 5 . 2229 . 1 1 25 MVA O O -6.623 2.677 3.664 . . . 1.0 . . . . . . . . . . . . A . 25 MVA O . . . . . . . . . c30498_6e5j 1 . 5 . 2230 . 1 1 26 HIS C C -9.651 1.076 2.232 . . . 1.0 . . . . . . . . . . . . A . 26 HIS C . . . . . . . . . c30498_6e5j 1 . 5 . 2231 . 1 1 26 HIS CA C -8.953 2.428 2.183 . . . 1.0 . . . . . . . . . . . . A . 26 HIS CA . . . . . . . . . c30498_6e5j 1 . 5 . 2232 . 1 1 26 HIS CB C -9.756 3.386 1.295 . . . 1.0 . . . . . . . . . . . . A . 26 HIS CB . . . . . . . . . c30498_6e5j 1 . 5 . 2233 . 1 1 26 HIS CD2 C -8.367 5.445 0.536 . . . 1.0 . . . . . . . . . . . . A . 26 HIS CD2 . . . . . . . . . c30498_6e5j 1 . 5 . 2234 . 1 1 26 HIS CE1 C -9.150 6.901 1.971 . . . 1.0 . . . . . . . . . . . . A . 26 HIS CE1 . . . . . . . . . c30498_6e5j 1 . 5 . 2235 . 1 1 26 HIS CG C -9.272 4.804 1.314 . . . 1.0 . . . . . . . . . . . . A . 26 HIS CG . . . . . . . . . c30498_6e5j 1 . 5 . 2236 . 1 1 26 HIS H H -7.460 2.033 0.736 . . . 1.0 . . . . . . . . . . . . A . 26 HIS H . . . . . . . . . c30498_6e5j 1 . 5 . 2237 . 1 1 26 HIS HA H -8.897 2.832 3.182 . . . 1.0 . . . . . . . . . . . . A . 26 HIS HA . . . . . . . . . c30498_6e5j 1 . 5 . 2238 . 1 1 26 HIS HB2 H -9.710 3.037 0.276 . . . 1.0 . . . . . . . . . . . . A . 26 HIS HB2 . . . . . . . . . c30498_6e5j 1 . 5 . 2239 . 1 1 26 HIS HB3 H -10.784 3.382 1.621 . . . 1.0 . . . . . . . . . . . . A . 26 HIS HB3 . . . . . . . . . c30498_6e5j 1 . 5 . 2240 . 1 1 26 HIS HD1 H -10.414 5.588 2.905 . . . 1.0 . . . . . . . . . . . . A . 26 HIS HD1 . . . . . . . . . c30498_6e5j 1 . 5 . 2241 . 1 1 26 HIS HD2 H -7.798 5.013 -0.274 . . . 1.0 . . . . . . . . . . . . A . 26 HIS HD2 . . . . . . . . . c30498_6e5j 1 . 5 . 2242 . 1 1 26 HIS HE1 H -9.323 7.819 2.513 . . . 1.0 . . . . . . . . . . . . A . 26 HIS HE1 . . . . . . . . . c30498_6e5j 1 . 5 . 2243 . 1 1 26 HIS HE2 H -7.858 7.482 0.492 . . . 1.0 . . . . . . . . . . . . A . 26 HIS HE2 . . . . . . . . . c30498_6e5j 1 . 5 . 2244 . 1 1 26 HIS N N -7.597 2.277 1.682 . . . 1.0 . . . . . . . . . . . . A . 26 HIS N . . . . . . . . . c30498_6e5j 1 . 5 . 2245 . 1 1 26 HIS ND1 N -9.742 5.746 2.203 . . . 1.0 . . . . . . . . . . . . A . 26 HIS ND1 . . . . . . . . . c30498_6e5j 1 . 5 . 2246 . 1 1 26 HIS NE2 N -8.311 6.748 0.965 . . . 1.0 . . . . . . . . . . . . A . 26 HIS NE2 . . . . . . . . . c30498_6e5j 1 . 5 . 2247 . 1 1 26 HIS O O -9.839 0.430 1.200 . . . 1.0 . . . . . . . . . . . . A . 26 HIS O . . . . . . . . . c30498_6e5j 1 . 5 . 2248 . 1 1 27 CYS C C -12.169 -0.289 4.080 . . . 1.0 . . . . . . . . . . . . A . 27 CYS C . . . . . . . . . c30498_6e5j 1 . 5 . 2249 . 1 1 27 CYS CA C -10.753 -0.592 3.605 . . . 1.0 . . . . . . . . . . . . A . 27 CYS CA . . . . . . . . . c30498_6e5j 1 . 5 . 2250 . 1 1 27 CYS CB C -10.050 -1.495 4.619 . . . 1.0 . . . . . . . . . . . . A . 27 CYS CB . . . . . . . . . c30498_6e5j 1 . 5 . 2251 . 1 1 27 CYS H H -9.784 1.179 4.218 . . . 1.0 . . . . . . . . . . . . A . 27 CYS H . . . . . . . . . c30498_6e5j 1 . 5 . 2252 . 1 1 27 CYS HA H -10.798 -1.096 2.651 . . . 1.0 . . . . . . . . . . . . A . 27 CYS HA . . . . . . . . . c30498_6e5j 1 . 5 . 2253 . 1 1 27 CYS HB2 H -10.002 -0.984 5.568 . . . 1.0 . . . . . . . . . . . . A . 27 CYS HB2 . . . . . . . . . c30498_6e5j 1 . 5 . 2254 . 1 1 27 CYS HB3 H -10.622 -2.404 4.735 . . . 1.0 . . . . . . . . . . . . A . 27 CYS HB3 . . . . . . . . . c30498_6e5j 1 . 5 . 2255 . 1 1 27 CYS N N -10.016 0.648 3.427 . . . 1.0 . . . . . . . . . . . . A . 27 CYS N . . . . . . . . . c30498_6e5j 1 . 5 . 2256 . 1 1 27 CYS O O -12.530 -0.557 5.224 . . . 1.0 . . . . . . . . . . . . A . 27 CYS O . . . . . . . . . c30498_6e5j 1 . 5 . 2257 . 1 1 27 CYS SG S -8.350 -1.967 4.162 . . . 1.0 . . . . . . . . . . . . A . 27 CYS SG . . . . . . . . . c30498_6e5j 1 . 5 . 2258 . 1 1 28 NH2 HN1 H -12.616 0.471 2.306 . . . 1.0 . . . . . . . . . . . . A . 28 NH2 HN1 . . . . . . . . . c30498_6e5j 1 . 5 . 2259 . 1 1 28 NH2 HN2 H -13.880 0.503 3.482 . . . 1.0 . . . . . . . . . . . . A . 28 NH2 HN2 . . . . . . . . . c30498_6e5j 1 . 5 . 2260 . 1 1 28 NH2 N N -12.968 0.285 3.202 . . . 1.0 . . . . . . . . . . . . A . 28 NH2 N . . . . . . . . . c30498_6e5j 1 . 6 . 2261 . 1 1 1 ASN C C 10.811 -5.798 0.754 . . . 1.0 . . . . . . . . . . . . A . 1 ASN C . . . . . . . . . c30498_6e5j 1 . 6 . 2262 . 1 1 1 ASN CA C 11.169 -6.843 1.795 . . . 1.0 . . . . . . . . . . . . A . 1 ASN CA . . . . . . . . . c30498_6e5j 1 . 6 . 2263 . 1 1 1 ASN CB C 10.269 -6.669 3.022 . . . 1.0 . . . . . . . . . . . . A . 1 ASN CB . . . . . . . . . c30498_6e5j 1 . 6 . 2264 . 1 1 1 ASN CG C 10.604 -7.635 4.139 . . . 1.0 . . . . . . . . . . . . A . 1 ASN CG . . . . . . . . . c30498_6e5j 1 . 6 . 2265 . 1 1 1 ASN H1 H 13.195 -6.819 1.328 . . . 1.0 . . . . . . . . . . . . A . 1 ASN H1 . . . . . . . . . c30498_6e5j 1 . 6 . 2266 . 1 1 1 ASN H2 H 12.857 -7.430 2.866 . . . 1.0 . . . . . . . . . . . . A . 1 ASN H2 . . . . . . . . . c30498_6e5j 1 . 6 . 2267 . 1 1 1 ASN H3 H 12.768 -5.766 2.578 . . . 1.0 . . . . . . . . . . . . A . 1 ASN H3 . . . . . . . . . c30498_6e5j 1 . 6 . 2268 . 1 1 1 ASN HA H 11.017 -7.826 1.376 . . . 1.0 . . . . . . . . . . . . A . 1 ASN HA . . . . . . . . . c30498_6e5j 1 . 6 . 2269 . 1 1 1 ASN HB2 H 10.377 -5.665 3.398 . . . 1.0 . . . . . . . . . . . . A . 1 ASN HB2 . . . . . . . . . c30498_6e5j 1 . 6 . 2270 . 1 1 1 ASN HB3 H 9.241 -6.828 2.731 . . . 1.0 . . . . . . . . . . . . A . 1 ASN HB3 . . . . . . . . . c30498_6e5j 1 . 6 . 2271 . 1 1 1 ASN HD21 H 9.974 -6.325 5.498 . . . 1.0 . . . . . . . . . . . . A . 1 ASN HD21 . . . . . . . . . c30498_6e5j 1 . 6 . 2272 . 1 1 1 ASN HD22 H 10.565 -7.831 6.116 . . . 1.0 . . . . . . . . . . . . A . 1 ASN HD22 . . . . . . . . . c30498_6e5j 1 . 6 . 2273 . 1 1 1 ASN N N 12.594 -6.706 2.168 . . . 1.0 . . . . . . . . . . . . A . 1 ASN N . . . . . . . . . c30498_6e5j 1 . 6 . 2274 . 1 1 1 ASN ND2 N 10.357 -7.223 5.374 . . . 1.0 . . . . . . . . . . . . A . 1 ASN ND2 . . . . . . . . . c30498_6e5j 1 . 6 . 2275 . 1 1 1 ASN O O 11.337 -4.689 0.781 . . . 1.0 . . . . . . . . . . . . A . 1 ASN O . . . . . . . . . c30498_6e5j 1 . 6 . 2276 . 1 1 1 ASN OD1 O 11.087 -8.738 3.896 . . . 1.0 . . . . . . . . . . . . A . 1 ASN OD1 . . . . . . . . . c30498_6e5j 1 . 6 . 2277 . 1 1 2 ASP C C 8.040 -4.823 -0.922 . . . 1.0 . . . . . . . . . . . . A . 2 ASP C . . . . . . . . . c30498_6e5j 1 . 6 . 2278 . 1 1 2 ASP CA C 9.482 -5.206 -1.179 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CA . . . . . . . . . c30498_6e5j 1 . 6 . 2279 . 1 1 2 ASP CB C 9.628 -5.784 -2.589 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CB . . . . . . . . . c30498_6e5j 1 . 6 . 2280 . 1 1 2 ASP CG C 11.073 -5.975 -2.995 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CG . . . . . . . . . c30498_6e5j 1 . 6 . 2281 . 1 1 2 ASP H H 9.557 -7.058 -0.163 . . . 1.0 . . . . . . . . . . . . A . 2 ASP H . . . . . . . . . c30498_6e5j 1 . 6 . 2282 . 1 1 2 ASP HA H 10.095 -4.321 -1.097 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HA . . . . . . . . . c30498_6e5j 1 . 6 . 2283 . 1 1 2 ASP HB2 H 9.132 -6.741 -2.632 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HB2 . . . . . . . . . c30498_6e5j 1 . 6 . 2284 . 1 1 2 ASP HB3 H 9.161 -5.112 -3.294 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HB3 . . . . . . . . . c30498_6e5j 1 . 6 . 2285 . 1 1 2 ASP N N 9.928 -6.149 -0.166 . . . 1.0 . . . . . . . . . . . . A . 2 ASP N . . . . . . . . . c30498_6e5j 1 . 6 . 2286 . 1 1 2 ASP O O 7.113 -5.458 -1.429 . . . 1.0 . . . . . . . . . . . . A . 2 ASP O . . . . . . . . . c30498_6e5j 1 . 6 . 2287 . 1 1 2 ASP OD1 O 11.635 -7.055 -2.720 . . . 1.0 . . . . . . . . . . . . A . 2 ASP OD1 . . . . . . . . . c30498_6e5j 1 . 6 . 2288 . 1 1 2 ASP OD2 O 11.655 -5.047 -3.601 . . . 1.0 . . . . . . . . . . . . A . 2 ASP OD2 . . . . . . . . . c30498_6e5j 1 . 6 . 2289 . 1 1 3 B3K C C 5.021 -1.932 -1.213 . . . 1.0 . . . . . . . . . . . . A . 3 B3K C . . . . . . . . . c30498_6e5j 1 . 6 . 2290 . 1 1 3 B3K CA C 6.249 -1.959 -0.330 . . . 1.0 . . . . . . . . . . . . A . 3 B3K CA . . . . . . . . . c30498_6e5j 1 . 6 . 2291 . 1 1 3 B3K CB C 6.515 -3.350 0.234 . . . 1.0 . . . . . . . . . . . . A . 3 B3K CB . . . . . . . . . c30498_6e5j 1 . 6 . 2292 . 1 1 3 B3K CD C 6.597 -4.645 2.438 . . . 1.0 . . . . . . . . . . . . A . 3 B3K CD . . . . . . . . . c30498_6e5j 1 . 6 . 2293 . 1 1 3 B3K CE C 6.375 -4.556 3.941 . . . 1.0 . . . . . . . . . . . . A . 3 B3K CE . . . . . . . . . c30498_6e5j 1 . 6 . 2294 . 1 1 3 B3K CF C 6.756 -5.850 4.647 . . . 1.0 . . . . . . . . . . . . A . 3 B3K CF . . . . . . . . . c30498_6e5j 1 . 6 . 2295 . 1 1 3 B3K CG C 6.336 -3.309 1.755 . . . 1.0 . . . . . . . . . . . . A . 3 B3K CG . . . . . . . . . c30498_6e5j 1 . 6 . 2296 . 1 1 3 B3K H H 8.626 -3.353 0.296 . . . 1.0 . . . . . . . . . . . . A . 3 B3K H . . . . . . . . . c30498_6e5j 1 . 6 . 2297 . 1 1 3 B3K HA1 H 6.100 -1.270 0.487 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HA1 . . . . . . . . . c30498_6e5j 1 . 6 . 2298 . 1 1 3 B3K HA2 H 7.100 -1.641 -0.916 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HA2 . . . . . . . . . c30498_6e5j 1 . 6 . 2299 . 1 1 3 B3K HB H 5.816 -4.051 -0.213 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HB . . . . . . . . . c30498_6e5j 1 . 6 . 2300 . 1 1 3 B3K HD2 H 7.618 -4.941 2.250 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HD2 . . . . . . . . . c30498_6e5j 1 . 6 . 2301 . 1 1 3 B3K HD3 H 5.925 -5.384 2.030 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HD3 . . . . . . . . . c30498_6e5j 1 . 6 . 2302 . 1 1 3 B3K HE2 H 5.332 -4.349 4.127 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HE2 . . . . . . . . . c30498_6e5j 1 . 6 . 2303 . 1 1 3 B3K HE3 H 6.978 -3.753 4.336 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HE3 . . . . . . . . . c30498_6e5j 1 . 6 . 2304 . 1 1 3 B3K HF1 H 6.625 -5.715 5.710 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HF1 . . . . . . . . . c30498_6e5j 1 . 6 . 2305 . 1 1 3 B3K HF2 H 7.794 -6.067 4.440 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HF2 . . . . . . . . . c30498_6e5j 1 . 6 . 2306 . 1 1 3 B3K HG2 H 5.326 -3.007 1.977 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HG2 . . . . . . . . . c30498_6e5j 1 . 6 . 2307 . 1 1 3 B3K HG3 H 7.018 -2.581 2.166 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HG3 . . . . . . . . . c30498_6e5j 1 . 6 . 2308 . 1 1 3 B3K HNZ1 H 6.200 -7.861 4.721 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HNZ1 . . . . . . . . . c30498_6e5j 1 . 6 . 2309 . 1 1 3 B3K HNZ2 H 6.064 -7.173 3.185 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HNZ2 . . . . . . . . . c30498_6e5j 1 . 6 . 2310 . 1 1 3 B3K N N 7.848 -3.806 -0.096 . . . 1.0 . . . . . . . . . . . . A . 3 B3K N . . . . . . . . . c30498_6e5j 1 . 6 . 2311 . 1 1 3 B3K NZ N 5.927 -7.001 4.201 . . . 1.0 . . . . . . . . . . . . A . 3 B3K NZ . . . . . . . . . c30498_6e5j 1 . 6 . 2312 . 1 1 3 B3K O O 3.909 -2.249 -0.772 . . . 1.0 . . . . . . . . . . . . A . 3 B3K O . . . . . . . . . c30498_6e5j 1 . 6 . 2313 . 1 1 4 CYS C C 3.844 -2.933 -3.967 . . . 1.0 . . . . . . . . . . . . A . 4 CYS C . . . . . . . . . c30498_6e5j 1 . 6 . 2314 . 1 1 4 CYS CA C 4.160 -1.534 -3.454 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CA . . . . . . . . . c30498_6e5j 1 . 6 . 2315 . 1 1 4 CYS CB C 4.537 -0.623 -4.622 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CB . . . . . . . . . c30498_6e5j 1 . 6 . 2316 . 1 1 4 CYS H H 6.137 -1.324 -2.751 . . . 1.0 . . . . . . . . . . . . A . 4 CYS H . . . . . . . . . c30498_6e5j 1 . 6 . 2317 . 1 1 4 CYS HA H 3.282 -1.136 -2.969 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HA . . . . . . . . . c30498_6e5j 1 . 6 . 2318 . 1 1 4 CYS HB2 H 5.495 -0.931 -5.011 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB2 . . . . . . . . . c30498_6e5j 1 . 6 . 2319 . 1 1 4 CYS HB3 H 3.793 -0.721 -5.398 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB3 . . . . . . . . . c30498_6e5j 1 . 6 . 2320 . 1 1 4 CYS N N 5.230 -1.573 -2.472 . . . 1.0 . . . . . . . . . . . . A . 4 CYS N . . . . . . . . . c30498_6e5j 1 . 6 . 2321 . 1 1 4 CYS O O 2.765 -3.176 -4.503 . . . 1.0 . . . . . . . . . . . . A . 4 CYS O . . . . . . . . . c30498_6e5j 1 . 6 . 2322 . 1 1 4 CYS SG S 4.662 1.143 -4.188 . . . 1.0 . . . . . . . . . . . . A . 4 CYS SG . . . . . . . . . c30498_6e5j 1 . 6 . 2323 . 1 1 5 LYS C C 3.809 -5.981 -3.137 . . . 1.0 . . . . . . . . . . . . A . 5 LYS C . . . . . . . . . c30498_6e5j 1 . 6 . 2324 . 1 1 5 LYS CA C 4.573 -5.229 -4.220 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CA . . . . . . . . . c30498_6e5j 1 . 6 . 2325 . 1 1 5 LYS CB C 5.900 -5.930 -4.516 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CB . . . . . . . . . c30498_6e5j 1 . 6 . 2326 . 1 1 5 LYS CD C 7.981 -6.059 -5.925 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CD . . . . . . . . . c30498_6e5j 1 . 6 . 2327 . 1 1 5 LYS CE C 7.712 -7.479 -6.400 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CE . . . . . . . . . c30498_6e5j 1 . 6 . 2328 . 1 1 5 LYS CG C 6.686 -5.305 -5.656 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CG . . . . . . . . . c30498_6e5j 1 . 6 . 2329 . 1 1 5 LYS H H 5.660 -3.588 -3.438 . . . 1.0 . . . . . . . . . . . . A . 5 LYS H . . . . . . . . . c30498_6e5j 1 . 6 . 2330 . 1 1 5 LYS HA H 3.975 -5.218 -5.120 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HA . . . . . . . . . c30498_6e5j 1 . 6 . 2331 . 1 1 5 LYS HB2 H 6.514 -5.902 -3.628 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HB2 . . . . . . . . . c30498_6e5j 1 . 6 . 2332 . 1 1 5 LYS HB3 H 5.700 -6.961 -4.768 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HB3 . . . . . . . . . c30498_6e5j 1 . 6 . 2333 . 1 1 5 LYS HD2 H 8.539 -5.535 -6.685 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HD2 . . . . . . . . . c30498_6e5j 1 . 6 . 2334 . 1 1 5 LYS HD3 H 8.558 -6.098 -5.014 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HD3 . . . . . . . . . c30498_6e5j 1 . 6 . 2335 . 1 1 5 LYS HE2 H 7.138 -7.993 -5.645 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HE2 . . . . . . . . . c30498_6e5j 1 . 6 . 2336 . 1 1 5 LYS HE3 H 7.142 -7.436 -7.315 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HE3 . . . . . . . . . c30498_6e5j 1 . 6 . 2337 . 1 1 5 LYS HG2 H 6.080 -5.322 -6.548 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HG2 . . . . . . . . . c30498_6e5j 1 . 6 . 2338 . 1 1 5 LYS HG3 H 6.922 -4.284 -5.400 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HG3 . . . . . . . . . c30498_6e5j 1 . 6 . 2339 . 1 1 5 LYS HZ1 H 9.512 -8.331 -5.767 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ1 . . . . . . . . . c30498_6e5j 1 . 6 . 2340 . 1 1 5 LYS HZ2 H 9.553 -7.748 -7.351 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ2 . . . . . . . . . c30498_6e5j 1 . 6 . 2341 . 1 1 5 LYS HZ3 H 8.744 -9.187 -7.004 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ3 . . . . . . . . . c30498_6e5j 1 . 6 . 2342 . 1 1 5 LYS N N 4.792 -3.848 -3.819 . . . 1.0 . . . . . . . . . . . . A . 5 LYS N . . . . . . . . . c30498_6e5j 1 . 6 . 2343 . 1 1 5 LYS NZ N 8.967 -8.237 -6.646 . . . 1.0 . . . . . . . . . . . . A . 5 LYS NZ . . . . . . . . . c30498_6e5j 1 . 6 . 2344 . 1 1 5 LYS O O 2.594 -6.162 -3.232 . . . 1.0 . . . . . . . . . . . . A . 5 LYS O . . . . . . . . . c30498_6e5j 1 . 6 . 2345 . 1 1 6 B3E C C 2.814 -5.989 0.980 . . . 1.0 . . . . . . . . . . . . A . 6 B3E C . . . . . . . . . c30498_6e5j 1 . 6 . 2346 . 1 1 6 B3E CA C 4.109 -6.405 0.324 . . . 1.0 . . . . . . . . . . . . A . 6 B3E CA . . . . . . . . . c30498_6e5j 1 . 6 . 2347 . 1 1 6 B3E CB C 3.897 -7.125 -1.005 . . . 1.0 . . . . . . . . . . . . A . 6 B3E CB . . . . . . . . . c30498_6e5j 1 . 6 . 2348 . 1 1 6 B3E CD C 4.530 -9.299 -2.195 . . . 1.0 . . . . . . . . . . . . A . 6 B3E CD . . . . . . . . . c30498_6e5j 1 . 6 . 2349 . 1 1 6 B3E CE C 5.266 -10.617 -2.085 . . . 1.0 . . . . . . . . . . . . A . 6 B3E CE . . . . . . . . . c30498_6e5j 1 . 6 . 2350 . 1 1 6 B3E CG C 4.525 -8.518 -0.889 . . . 1.0 . . . . . . . . . . . . A . 6 B3E CG . . . . . . . . . c30498_6e5j 1 . 6 . 2351 . 1 1 6 B3E H H 5.479 -6.193 -2.051 . . . 1.0 . . . . . . . . . . . . A . 6 B3E H . . . . . . . . . c30498_6e5j 1 . 6 . 2352 . 1 1 6 B3E HA1 H 4.635 -7.064 0.998 . . . 1.0 . . . . . . . . . . . . A . 6 B3E HA1 . . . . . . . . . c30498_6e5j 1 . 6 . 2353 . 1 1 6 B3E HA2 H 4.702 -5.522 0.157 . . . 1.0 . . . . . . . . . . . . A . 6 B3E HA2 . . . . . . . . . c30498_6e5j 1 . 6 . 2354 . 1 1 6 B3E HB H 2.827 -7.187 -1.221 . . . 1.0 . . . . . . . . . . . . A . 6 B3E HB . . . . . . . . . c30498_6e5j 1 . 6 . 2355 . 1 1 6 B3E HD2 H 5.006 -8.700 -2.956 . . . 1.0 . . . . . . . . . . . . A . 6 B3E HD2 . . . . . . . . . c30498_6e5j 1 . 6 . 2356 . 1 1 6 B3E HD3 H 3.509 -9.499 -2.484 . . . 1.0 . . . . . . . . . . . . A . 6 B3E HD3 . . . . . . . . . c30498_6e5j 1 . 6 . 2357 . 1 1 6 B3E HG2 H 3.974 -9.089 -0.158 . . . 1.0 . . . . . . . . . . . . A . 6 B3E HG2 . . . . . . . . . c30498_6e5j 1 . 6 . 2358 . 1 1 6 B3E HG3 H 5.545 -8.414 -0.555 . . . 1.0 . . . . . . . . . . . . A . 6 B3E HG3 . . . . . . . . . c30498_6e5j 1 . 6 . 2359 . 1 1 6 B3E N N 4.516 -6.396 -2.093 . . . 1.0 . . . . . . . . . . . . A . 6 B3E N . . . . . . . . . c30498_6e5j 1 . 6 . 2360 . 1 1 6 B3E O O 2.044 -6.821 1.466 . . . 1.0 . . . . . . . . . . . . A . 6 B3E O . . . . . . . . . c30498_6e5j 1 . 6 . 2361 . 1 1 6 B3E OF1 O 4.601 -11.667 -1.947 . . . 1.0 . . . . . . . . . . . . A . 6 B3E OF1 . . . . . . . . . c30498_6e5j 1 . 6 . 2362 . 1 1 6 B3E OF2 O 6.516 -10.613 -2.146 . . . 1.0 . . . . . . . . . . . . A . 6 B3E OF2 . . . . . . . . . c30498_6e5j 1 . 6 . 2363 . 1 1 7 LEU C C 0.205 -4.277 0.626 . . . 1.0 . . . . . . . . . . . . A . 7 LEU C . . . . . . . . . c30498_6e5j 1 . 6 . 2364 . 1 1 7 LEU CA C 1.366 -4.142 1.591 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CA . . . . . . . . . c30498_6e5j 1 . 6 . 2365 . 1 1 7 LEU CB C 1.560 -2.675 1.984 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CB . . . . . . . . . c30498_6e5j 1 . 6 . 2366 . 1 1 7 LEU CD1 C 2.796 -0.928 3.291 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CD1 . . . . . . . . . c30498_6e5j 1 . 6 . 2367 . 1 1 7 LEU CD2 C 2.316 -3.144 4.334 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CD2 . . . . . . . . . c30498_6e5j 1 . 6 . 2368 . 1 1 7 LEU CG C 2.641 -2.418 3.038 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CG . . . . . . . . . c30498_6e5j 1 . 6 . 2369 . 1 1 7 LEU H H 3.224 -4.070 0.591 . . . 1.0 . . . . . . . . . . . . A . 7 LEU H . . . . . . . . . c30498_6e5j 1 . 6 . 2370 . 1 1 7 LEU HA H 1.145 -4.718 2.474 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HA . . . . . . . . . c30498_6e5j 1 . 6 . 2371 . 1 1 7 LEU HB2 H 1.815 -2.117 1.095 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HB2 . . . . . . . . . c30498_6e5j 1 . 6 . 2372 . 1 1 7 LEU HB3 H 0.624 -2.301 2.366 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HB3 . . . . . . . . . c30498_6e5j 1 . 6 . 2373 . 1 1 7 LEU HD11 H 3.552 -0.767 4.044 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD11 . . . . . . . . . c30498_6e5j 1 . 6 . 2374 . 1 1 7 LEU HD12 H 1.855 -0.520 3.631 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD12 . . . . . . . . . c30498_6e5j 1 . 6 . 2375 . 1 1 7 LEU HD13 H 3.091 -0.437 2.374 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD13 . . . . . . . . . c30498_6e5j 1 . 6 . 2376 . 1 1 7 LEU HD21 H 1.341 -2.842 4.682 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD21 . . . . . . . . . c30498_6e5j 1 . 6 . 2377 . 1 1 7 LEU HD22 H 3.057 -2.896 5.079 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD22 . . . . . . . . . c30498_6e5j 1 . 6 . 2378 . 1 1 7 LEU HD23 H 2.324 -4.210 4.163 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD23 . . . . . . . . . c30498_6e5j 1 . 6 . 2379 . 1 1 7 LEU HG H 3.583 -2.792 2.673 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HG . . . . . . . . . c30498_6e5j 1 . 6 . 2380 . 1 1 7 LEU N N 2.574 -4.683 0.997 . . . 1.0 . . . . . . . . . . . . A . 7 LEU N . . . . . . . . . c30498_6e5j 1 . 6 . 2381 . 1 1 7 LEU O O -0.879 -4.706 1.021 . . . 1.0 . . . . . . . . . . . . A . 7 LEU O . . . . . . . . . c30498_6e5j 1 . 6 . 2382 . 1 1 8 LYS C C -1.244 -5.368 -1.640 . . . 1.0 . . . . . . . . . . . . A . 8 LYS C . . . . . . . . . c30498_6e5j 1 . 6 . 2383 . 1 1 8 LYS CA C -0.565 -4.013 -1.679 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CA . . . . . . . . . c30498_6e5j 1 . 6 . 2384 . 1 1 8 LYS CB C 0.048 -3.762 -3.057 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CB . . . . . . . . . c30498_6e5j 1 . 6 . 2385 . 1 1 8 LYS CD C -0.331 -3.459 -5.520 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CD . . . . . . . . . c30498_6e5j 1 . 6 . 2386 . 1 1 8 LYS CE C -1.345 -3.503 -6.647 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CE . . . . . . . . . c30498_6e5j 1 . 6 . 2387 . 1 1 8 LYS CG C -0.958 -3.842 -4.194 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CG . . . . . . . . . c30498_6e5j 1 . 6 . 2388 . 1 1 8 LYS H H 1.349 -3.618 -0.881 . . . 1.0 . . . . . . . . . . . . A . 8 LYS H . . . . . . . . . c30498_6e5j 1 . 6 . 2389 . 1 1 8 LYS HA H -1.299 -3.251 -1.476 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HA . . . . . . . . . c30498_6e5j 1 . 6 . 2390 . 1 1 8 LYS HB2 H 0.496 -2.780 -3.068 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB2 . . . . . . . . . c30498_6e5j 1 . 6 . 2391 . 1 1 8 LYS HB3 H 0.816 -4.500 -3.235 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB3 . . . . . . . . . c30498_6e5j 1 . 6 . 2392 . 1 1 8 LYS HD2 H 0.065 -2.458 -5.444 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD2 . . . . . . . . . c30498_6e5j 1 . 6 . 2393 . 1 1 8 LYS HD3 H 0.470 -4.150 -5.740 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD3 . . . . . . . . . c30498_6e5j 1 . 6 . 2394 . 1 1 8 LYS HE2 H -1.696 -4.518 -6.759 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE2 . . . . . . . . . c30498_6e5j 1 . 6 . 2395 . 1 1 8 LYS HE3 H -2.176 -2.862 -6.394 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE3 . . . . . . . . . c30498_6e5j 1 . 6 . 2396 . 1 1 8 LYS HG2 H -1.328 -4.853 -4.262 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG2 . . . . . . . . . c30498_6e5j 1 . 6 . 2397 . 1 1 8 LYS HG3 H -1.776 -3.171 -3.984 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG3 . . . . . . . . . c30498_6e5j 1 . 6 . 2398 . 1 1 8 LYS HZ1 H -1.471 -3.117 -8.692 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ1 . . . . . . . . . c30498_6e5j 1 . 6 . 2399 . 1 1 8 LYS HZ2 H 0.051 -3.648 -8.188 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ2 . . . . . . . . . c30498_6e5j 1 . 6 . 2400 . 1 1 8 LYS HZ3 H -0.442 -2.067 -7.859 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ3 . . . . . . . . . c30498_6e5j 1 . 6 . 2401 . 1 1 8 LYS N N 0.455 -3.932 -0.641 . . . 1.0 . . . . . . . . . . . . A . 8 LYS N . . . . . . . . . c30498_6e5j 1 . 6 . 2402 . 1 1 8 LYS NZ N -0.762 -3.051 -7.935 . . . 1.0 . . . . . . . . . . . . A . 8 LYS NZ . . . . . . . . . c30498_6e5j 1 . 6 . 2403 . 1 1 8 LYS O O -2.419 -5.471 -1.295 . . . 1.0 . . . . . . . . . . . . A . 8 LYS O . . . . . . . . . c30498_6e5j 1 . 6 . 2404 . 1 1 9 B3K C C -1.437 -8.867 0.289 . . . 1.0 . . . . . . . . . . . . A . 9 B3K C . . . . . . . . . c30498_6e5j 1 . 6 . 2405 . 1 1 9 B3K CA C -0.435 -8.545 -0.791 . . . 1.0 . . . . . . . . . . . . A . 9 B3K CA . . . . . . . . . c30498_6e5j 1 . 6 . 2406 . 1 1 9 B3K CB C -1.061 -7.739 -1.924 . . . 1.0 . . . . . . . . . . . . A . 9 B3K CB . . . . . . . . . c30498_6e5j 1 . 6 . 2407 . 1 1 9 B3K CD C 0.647 -8.550 -3.657 . . . 1.0 . . . . . . . . . . . . A . 9 B3K CD . . . . . . . . . c30498_6e5j 1 . 6 . 2408 . 1 1 9 B3K CE C 0.815 -9.231 -5.007 . . . 1.0 . . . . . . . . . . . . A . 9 B3K CE . . . . . . . . . c30498_6e5j 1 . 6 . 2409 . 1 1 9 B3K CF C 0.079 -8.481 -6.107 . . . 1.0 . . . . . . . . . . . . A . 9 B3K CF . . . . . . . . . c30498_6e5j 1 . 6 . 2410 . 1 1 9 B3K CG C -0.817 -8.471 -3.249 . . . 1.0 . . . . . . . . . . . . A . 9 B3K CG . . . . . . . . . c30498_6e5j 1 . 6 . 2411 . 1 1 9 B3K H H 0.430 -6.281 -2.247 . . . 1.0 . . . . . . . . . . . . A . 9 B3K H . . . . . . . . . c30498_6e5j 1 . 6 . 2412 . 1 1 9 B3K HA1 H -0.051 -9.472 -1.190 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HA1 . . . . . . . . . c30498_6e5j 1 . 6 . 2413 . 1 1 9 B3K HA2 H 0.375 -7.979 -0.351 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HA2 . . . . . . . . . c30498_6e5j 1 . 6 . 2414 . 1 1 9 B3K HB H -2.135 -7.616 -1.726 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HB . . . . . . . . . c30498_6e5j 1 . 6 . 2415 . 1 1 9 B3K HD2 H 1.189 -9.112 -2.910 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HD2 . . . . . . . . . c30498_6e5j 1 . 6 . 2416 . 1 1 9 B3K HD3 H 1.049 -7.549 -3.717 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HD3 . . . . . . . . . c30498_6e5j 1 . 6 . 2417 . 1 1 9 B3K HE2 H 0.425 -10.236 -4.942 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HE2 . . . . . . . . . c30498_6e5j 1 . 6 . 2418 . 1 1 9 B3K HE3 H 1.867 -9.267 -5.252 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HE3 . . . . . . . . . c30498_6e5j 1 . 6 . 2419 . 1 1 9 B3K HF1 H 0.477 -7.480 -6.174 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HF1 . . . . . . . . . c30498_6e5j 1 . 6 . 2420 . 1 1 9 B3K HF2 H -0.969 -8.435 -5.855 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HF2 . . . . . . . . . c30498_6e5j 1 . 6 . 2421 . 1 1 9 B3K HG2 H -1.358 -7.958 -4.029 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HG2 . . . . . . . . . c30498_6e5j 1 . 6 . 2422 . 1 1 9 B3K HG3 H -1.197 -9.477 -3.165 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HG3 . . . . . . . . . c30498_6e5j 1 . 6 . 2423 . 1 1 9 B3K HNZ1 H -0.314 -8.630 -8.149 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HNZ1 . . . . . . . . . c30498_6e5j 1 . 6 . 2424 . 1 1 9 B3K HNZ2 H -0.134 -10.122 -7.376 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HNZ2 . . . . . . . . . c30498_6e5j 1 . 6 . 2425 . 1 1 9 B3K N N -0.504 -6.412 -1.970 . . . 1.0 . . . . . . . . . . . . A . 9 B3K N . . . . . . . . . c30498_6e5j 1 . 6 . 2426 . 1 1 9 B3K NZ N 0.225 -9.148 -7.426 . . . 1.0 . . . . . . . . . . . . A . 9 B3K NZ . . . . . . . . . c30498_6e5j 1 . 6 . 2427 . 1 1 9 B3K O O -2.183 -9.841 0.196 . . . 1.0 . . . . . . . . . . . . A . 9 B3K O . . . . . . . . . c30498_6e5j 1 . 6 . 2428 . 1 1 10 ARG C C -3.693 -7.447 2.146 . . . 1.0 . . . . . . . . . . . . A . 10 ARG C . . . . . . . . . c30498_6e5j 1 . 6 . 2429 . 1 1 10 ARG CA C -2.398 -8.202 2.419 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CA . . . . . . . . . c30498_6e5j 1 . 6 . 2430 . 1 1 10 ARG CB C -1.792 -7.708 3.736 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CB . . . . . . . . . c30498_6e5j 1 . 6 . 2431 . 1 1 10 ARG CD C -0.019 -8.025 5.496 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CD . . . . . . . . . c30498_6e5j 1 . 6 . 2432 . 1 1 10 ARG CG C -0.431 -8.304 4.057 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CG . . . . . . . . . c30498_6e5j 1 . 6 . 2433 . 1 1 10 ARG CZ C 0.750 -5.910 6.529 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CZ . . . . . . . . . c30498_6e5j 1 . 6 . 2434 . 1 1 10 ARG H H -0.837 -7.272 1.335 . . . 1.0 . . . . . . . . . . . . A . 10 ARG H . . . . . . . . . c30498_6e5j 1 . 6 . 2435 . 1 1 10 ARG HA H -2.618 -9.254 2.504 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HA . . . . . . . . . c30498_6e5j 1 . 6 . 2436 . 1 1 10 ARG HB2 H -1.685 -6.635 3.687 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HB2 . . . . . . . . . c30498_6e5j 1 . 6 . 2437 . 1 1 10 ARG HB3 H -2.467 -7.954 4.539 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HB3 . . . . . . . . . c30498_6e5j 1 . 6 . 2438 . 1 1 10 ARG HD2 H -0.631 -8.625 6.152 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HD2 . . . . . . . . . c30498_6e5j 1 . 6 . 2439 . 1 1 10 ARG HD3 H 1.017 -8.307 5.618 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HD3 . . . . . . . . . c30498_6e5j 1 . 6 . 2440 . 1 1 10 ARG HE H -1.022 -6.175 5.627 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HE . . . . . . . . . c30498_6e5j 1 . 6 . 2441 . 1 1 10 ARG HG2 H -0.472 -9.373 3.908 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HG2 . . . . . . . . . c30498_6e5j 1 . 6 . 2442 . 1 1 10 ARG HG3 H 0.305 -7.875 3.394 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HG3 . . . . . . . . . c30498_6e5j 1 . 6 . 2443 . 1 1 10 ARG HH11 H 2.604 -5.938 7.345 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH11 . . . . . . . . . c30498_6e5j 1 . 6 . 2444 . 1 1 10 ARG HH12 H 2.105 -7.417 6.592 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH12 . . . . . . . . . c30498_6e5j 1 . 6 . 2445 . 1 1 10 ARG HH21 H 1.207 -4.123 7.379 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH21 . . . . . . . . . c30498_6e5j 1 . 6 . 2446 . 1 1 10 ARG HH22 H -0.371 -4.216 6.656 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH22 . . . . . . . . . c30498_6e5j 1 . 6 . 2447 . 1 1 10 ARG N N -1.462 -8.028 1.318 . . . 1.0 . . . . . . . . . . . . A . 10 ARG N . . . . . . . . . c30498_6e5j 1 . 6 . 2448 . 1 1 10 ARG NE N -0.171 -6.612 5.864 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NE . . . . . . . . . c30498_6e5j 1 . 6 . 2449 . 1 1 10 ARG NH1 N 1.913 -6.466 6.846 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NH1 . . . . . . . . . c30498_6e5j 1 . 6 . 2450 . 1 1 10 ARG NH2 N 0.510 -4.649 6.879 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NH2 . . . . . . . . . c30498_6e5j 1 . 6 . 2451 . 1 1 10 ARG O O -4.781 -7.929 2.452 . . . 1.0 . . . . . . . . . . . . A . 10 ARG O . . . . . . . . . c30498_6e5j 1 . 6 . 2452 . 1 1 11 TYR C C -5.305 -5.591 -0.059 . . . 1.0 . . . . . . . . . . . . A . 11 TYR C . . . . . . . . . c30498_6e5j 1 . 6 . 2453 . 1 1 11 TYR CA C -4.713 -5.395 1.333 . . . 1.0 . . . . . . . . . . . . A . 11 TYR CA . . . . . . . . . c30498_6e5j 1 . 6 . 2454 . 1 1 11 TYR CB C -4.293 -3.935 1.525 . . . 1.0 . . . . . . . . . . . . A . 11 TYR CB . . . . . . . . . c30498_6e5j 1 . 6 . 2455 . 1 1 11 TYR CD1 C -4.218 -4.065 4.048 . . . 1.0 . . . . . . . . . . . . A . 11 TYR CD1 . . . . . . . . . c30498_6e5j 1 . 6 . 2456 . 1 1 11 TYR CD2 C -2.412 -2.993 2.924 . . . 1.0 . . . . . . . . . . . . A . 11 TYR CD2 . . . . . . . . . c30498_6e5j 1 . 6 . 2457 . 1 1 11 TYR CE1 C -3.614 -3.814 5.265 . . . 1.0 . . . . . . . . . . . . A . 11 TYR CE1 . . . . . . . . . c30498_6e5j 1 . 6 . 2458 . 1 1 11 TYR CE2 C -1.803 -2.738 4.134 . . . 1.0 . . . . . . . . . . . . A . 11 TYR CE2 . . . . . . . . . c30498_6e5j 1 . 6 . 2459 . 1 1 11 TYR CG C -3.629 -3.661 2.858 . . . 1.0 . . . . . . . . . . . . A . 11 TYR CG . . . . . . . . . c30498_6e5j 1 . 6 . 2460 . 1 1 11 TYR CZ C -2.406 -3.150 5.302 . . . 1.0 . . . . . . . . . . . . A . 11 TYR CZ . . . . . . . . . c30498_6e5j 1 . 6 . 2461 . 1 1 11 TYR H H -2.688 -5.987 1.222 . . . 1.0 . . . . . . . . . . . . A . 11 TYR H . . . . . . . . . c30498_6e5j 1 . 6 . 2462 . 1 1 11 TYR HA H -5.463 -5.645 2.068 . . . 1.0 . . . . . . . . . . . . A . 11 TYR HA . . . . . . . . . c30498_6e5j 1 . 6 . 2463 . 1 1 11 TYR HB2 H -3.597 -3.664 0.745 . . . 1.0 . . . . . . . . . . . . A . 11 TYR HB2 . . . . . . . . . c30498_6e5j 1 . 6 . 2464 . 1 1 11 TYR HB3 H -5.167 -3.308 1.454 . . . 1.0 . . . . . . . . . . . . A . 11 TYR HB3 . . . . . . . . . c30498_6e5j 1 . 6 . 2465 . 1 1 11 TYR HD1 H -5.163 -4.585 4.015 . . . 1.0 . . . . . . . . . . . . A . 11 TYR HD1 . . . . . . . . . c30498_6e5j 1 . 6 . 2466 . 1 1 11 TYR HD2 H -1.939 -2.672 2.007 . . . 1.0 . . . . . . . . . . . . A . 11 TYR HD2 . . . . . . . . . c30498_6e5j 1 . 6 . 2467 . 1 1 11 TYR HE1 H -4.086 -4.136 6.179 . . . 1.0 . . . . . . . . . . . . A . 11 TYR HE1 . . . . . . . . . c30498_6e5j 1 . 6 . 2468 . 1 1 11 TYR HE2 H -0.860 -2.216 4.164 . . . 1.0 . . . . . . . . . . . . A . 11 TYR HE2 . . . . . . . . . c30498_6e5j 1 . 6 . 2469 . 1 1 11 TYR HH H -1.572 -1.963 6.569 . . . 1.0 . . . . . . . . . . . . A . 11 TYR HH . . . . . . . . . c30498_6e5j 1 . 6 . 2470 . 1 1 11 TYR N N -3.569 -6.272 1.544 . . . 1.0 . . . . . . . . . . . . A . 11 TYR N . . . . . . . . . c30498_6e5j 1 . 6 . 2471 . 1 1 11 TYR O O -5.867 -4.664 -0.640 . . . 1.0 . . . . . . . . . . . . A . 11 TYR O . . . . . . . . . c30498_6e5j 1 . 6 . 2472 . 1 1 11 TYR OH O -1.795 -2.903 6.510 . . . 1.0 . . . . . . . . . . . . A . 11 TYR OH . . . . . . . . . c30498_6e5j 1 . 6 . 2473 . 1 1 12 ABA C C -7.166 -6.793 -2.054 . . . 1.0 . . . . . . . . . . . . A . 12 AIB C . . . . . . . . . c30498_6e5j 1 . 6 . 2474 . 1 1 12 ABA CA C -5.690 -7.183 -1.900 . . . 1.0 . . . . . . . . . . . . A . 12 AIB CA . . . . . . . . . c30498_6e5j 1 . 6 . 2475 . 1 1 12 ABA H H -4.759 -7.505 -0.020 . . . 1.0 . . . . . . . . . . . . A . 12 AIB H . . . . . . . . . c30498_6e5j 1 . 6 . 2476 . 1 1 12 ABA N N -5.195 -6.819 -0.564 . . . 1.0 . . . . . . . . . . . . A . 12 AIB N . . . . . . . . . c30498_6e5j 1 . 6 . 2477 . 1 1 12 ABA O O -7.600 -6.370 -3.128 . . . 1.0 . . . . . . . . . . . . A . 12 AIB O . . . . . . . . . c30498_6e5j 1 . 6 . 2478 . 1 1 13 GLY C C -9.665 -5.198 -0.620 . . . 1.0 . . . . . . . . . . . . A . 13 GLY C . . . . . . . . . c30498_6e5j 1 . 6 . 2479 . 1 1 13 GLY CA C -9.347 -6.622 -1.033 . . . 1.0 . . . . . . . . . . . . A . 13 GLY CA . . . . . . . . . c30498_6e5j 1 . 6 . 2480 . 1 1 13 GLY H H -7.531 -7.238 -0.141 . . . 1.0 . . . . . . . . . . . . A . 13 GLY H . . . . . . . . . c30498_6e5j 1 . 6 . 2481 . 1 1 13 GLY HA2 H -9.696 -6.778 -2.042 . . . 1.0 . . . . . . . . . . . . A . 13 GLY HA2 . . . . . . . . . c30498_6e5j 1 . 6 . 2482 . 1 1 13 GLY HA3 H -9.870 -7.299 -0.377 . . . 1.0 . . . . . . . . . . . . A . 13 GLY HA3 . . . . . . . . . c30498_6e5j 1 . 6 . 2483 . 1 1 13 GLY N N -7.930 -6.926 -0.979 . . . 1.0 . . . . . . . . . . . . A . 13 GLY N . . . . . . . . . c30498_6e5j 1 . 6 . 2484 . 1 1 13 GLY O O -10.794 -4.894 -0.232 . . . 1.0 . . . . . . . . . . . . A . 13 GLY O . . . . . . . . . c30498_6e5j 1 . 6 . 2485 . 1 1 14 CYS C C -8.203 -2.048 -1.412 . . . 1.0 . . . . . . . . . . . . A . 14 CYS C . . . . . . . . . c30498_6e5j 1 . 6 . 2486 . 1 1 14 CYS CA C -8.853 -2.923 -0.346 . . . 1.0 . . . . . . . . . . . . A . 14 CYS CA . . . . . . . . . c30498_6e5j 1 . 6 . 2487 . 1 1 14 CYS CB C -8.219 -2.647 1.020 . . . 1.0 . . . . . . . . . . . . A . 14 CYS CB . . . . . . . . . c30498_6e5j 1 . 6 . 2488 . 1 1 14 CYS H H -7.787 -4.630 -0.986 . . . 1.0 . . . . . . . . . . . . A . 14 CYS H . . . . . . . . . c30498_6e5j 1 . 6 . 2489 . 1 1 14 CYS HA H -9.912 -2.713 -0.305 . . . 1.0 . . . . . . . . . . . . A . 14 CYS HA . . . . . . . . . c30498_6e5j 1 . 6 . 2490 . 1 1 14 CYS HB2 H -7.146 -2.712 0.926 . . . 1.0 . . . . . . . . . . . . A . 14 CYS HB2 . . . . . . . . . c30498_6e5j 1 . 6 . 2491 . 1 1 14 CYS HB3 H -8.486 -1.650 1.339 . . . 1.0 . . . . . . . . . . . . A . 14 CYS HB3 . . . . . . . . . c30498_6e5j 1 . 6 . 2492 . 1 1 14 CYS N N -8.674 -4.324 -0.693 . . . 1.0 . . . . . . . . . . . . A . 14 CYS N . . . . . . . . . c30498_6e5j 1 . 6 . 2493 . 1 1 14 CYS O O -7.493 -2.554 -2.284 . . . 1.0 . . . . . . . . . . . . A . 14 CYS O . . . . . . . . . c30498_6e5j 1 . 6 . 2494 . 1 1 14 CYS SG S -8.735 -3.811 2.333 . . . 1.0 . . . . . . . . . . . . A . 14 CYS SG . . . . . . . . . c30498_6e5j 1 . 6 . 2495 . 1 1 15 GLU C C -6.432 0.544 -1.745 . . . 1.0 . . . . . . . . . . . . A . 15 GLU C . . . . . . . . . c30498_6e5j 1 . 6 . 2496 . 1 1 15 GLU CA C -7.807 0.178 -2.281 . . . 1.0 . . . . . . . . . . . . A . 15 GLU CA . . . . . . . . . c30498_6e5j 1 . 6 . 2497 . 1 1 15 GLU CB C -8.634 1.452 -2.473 . . . 1.0 . . . . . . . . . . . . A . 15 GLU CB . . . . . . . . . c30498_6e5j 1 . 6 . 2498 . 1 1 15 GLU CD C -10.711 2.508 -3.423 . . . 1.0 . . . . . . . . . . . . A . 15 GLU CD . . . . . . . . . c30498_6e5j 1 . 6 . 2499 . 1 1 15 GLU CG C -10.033 1.218 -3.012 . . . 1.0 . . . . . . . . . . . . A . 15 GLU CG . . . . . . . . . c30498_6e5j 1 . 6 . 2500 . 1 1 15 GLU H H -9.066 -0.394 -0.678 . . . 1.0 . . . . . . . . . . . . A . 15 GLU H . . . . . . . . . c30498_6e5j 1 . 6 . 2501 . 1 1 15 GLU HA H -7.695 -0.322 -3.232 . . . 1.0 . . . . . . . . . . . . A . 15 GLU HA . . . . . . . . . c30498_6e5j 1 . 6 . 2502 . 1 1 15 GLU HB2 H -8.723 1.952 -1.520 . . . 1.0 . . . . . . . . . . . . A . 15 GLU HB2 . . . . . . . . . c30498_6e5j 1 . 6 . 2503 . 1 1 15 GLU HB3 H -8.112 2.103 -3.159 . . . 1.0 . . . . . . . . . . . . A . 15 GLU HB3 . . . . . . . . . c30498_6e5j 1 . 6 . 2504 . 1 1 15 GLU HG2 H -9.972 0.569 -3.872 . . . 1.0 . . . . . . . . . . . . A . 15 GLU HG2 . . . . . . . . . c30498_6e5j 1 . 6 . 2505 . 1 1 15 GLU HG3 H -10.625 0.746 -2.245 . . . 1.0 . . . . . . . . . . . . A . 15 GLU HG3 . . . . . . . . . c30498_6e5j 1 . 6 . 2506 . 1 1 15 GLU N N -8.451 -0.746 -1.360 . . . 1.0 . . . . . . . . . . . . A . 15 GLU N . . . . . . . . . c30498_6e5j 1 . 6 . 2507 . 1 1 15 GLU O O -6.298 0.868 -0.566 . . . 1.0 . . . . . . . . . . . . A . 15 GLU O . . . . . . . . . c30498_6e5j 1 . 6 . 2508 . 1 1 15 GLU OE1 O -10.850 3.414 -2.573 . . . 1.0 . . . . . . . . . . . . A . 15 GLU OE1 . . . . . . . . . c30498_6e5j 1 . 6 . 2509 . 1 1 15 GLU OE2 O -11.107 2.627 -4.601 . . . 1.0 . . . . . . . . . . . . A . 15 GLU OE2 . . . . . . . . . c30498_6e5j 1 . 6 . 2510 . 1 1 16 MVA C C -3.183 1.580 -3.092 . . . 1.0 . . . . . . . . . . . . A . 16 MVA C . . . . . . . . . c30498_6e5j 1 . 6 . 2511 . 1 1 16 MVA CA C -4.032 0.783 -2.095 . . . 1.0 . . . . . . . . . . . . A . 16 MVA CA . . . . . . . . . c30498_6e5j 1 . 6 . 2512 . 1 1 16 MVA CB C -3.299 -0.524 -1.677 . . . 1.0 . . . . . . . . . . . . A . 16 MVA CB . . . . . . . . . c30498_6e5j 1 . 6 . 2513 . 1 1 16 MVA CG1 C -3.261 -1.549 -2.801 . . . 1.0 . . . . . . . . . . . . A . 16 MVA CG1 . . . . . . . . . c30498_6e5j 1 . 6 . 2514 . 1 1 16 MVA CG2 C -1.890 -0.214 -1.184 . . . 1.0 . . . . . . . . . . . . A . 16 MVA CG2 . . . . . . . . . c30498_6e5j 1 . 6 . 2515 . 1 1 16 MVA CN C -5.637 0.266 -4.030 . . . 1.0 . . . . . . . . . . . . A . 16 MVA CN . . . . . . . . . c30498_6e5j 1 . 6 . 2516 . 1 1 16 MVA HA H -4.104 1.390 -1.202 . . . 1.0 . . . . . . . . . . . . A . 16 MVA HA . . . . . . . . . c30498_6e5j 1 . 6 . 2517 . 1 1 16 MVA HB H -3.846 -0.962 -0.854 . . . 1.0 . . . . . . . . . . . . A . 16 MVA HB . . . . . . . . . c30498_6e5j 1 . 6 . 2518 . 1 1 16 MVA HG11 H -2.806 -2.459 -2.443 . . . 1.0 . . . . . . . . . . . . A . 16 MVA HG11 . . . . . . . . . c30498_6e5j 1 . 6 . 2519 . 1 1 16 MVA HG12 H -2.684 -1.157 -3.625 . . . 1.0 . . . . . . . . . . . . A . 16 MVA HG12 . . . . . . . . . c30498_6e5j 1 . 6 . 2520 . 1 1 16 MVA HG13 H -4.268 -1.756 -3.133 . . . 1.0 . . . . . . . . . . . . A . 16 MVA HG13 . . . . . . . . . c30498_6e5j 1 . 6 . 2521 . 1 1 16 MVA HG21 H -1.326 0.251 -1.980 . . . 1.0 . . . . . . . . . . . . A . 16 MVA HG21 . . . . . . . . . c30498_6e5j 1 . 6 . 2522 . 1 1 16 MVA HG22 H -1.402 -1.130 -0.885 . . . 1.0 . . . . . . . . . . . . A . 16 MVA HG22 . . . . . . . . . c30498_6e5j 1 . 6 . 2523 . 1 1 16 MVA HG23 H -1.942 0.460 -0.341 . . . 1.0 . . . . . . . . . . . . A . 16 MVA HG23 . . . . . . . . . c30498_6e5j 1 . 6 . 2524 . 1 1 16 MVA HN1 H -4.740 0.485 -4.589 . . . 1.0 . . . . . . . . . . . . A . 16 MVA HN1 . . . . . . . . . c30498_6e5j 1 . 6 . 2525 . 1 1 16 MVA HN2 H -6.440 0.898 -4.376 . . . 1.0 . . . . . . . . . . . . A . 16 MVA HN2 . . . . . . . . . c30498_6e5j 1 . 6 . 2526 . 1 1 16 MVA HN3 H -5.905 -0.770 -4.175 . . . 1.0 . . . . . . . . . . . . A . 16 MVA HN3 . . . . . . . . . c30498_6e5j 1 . 6 . 2527 . 1 1 16 MVA N N -5.394 0.519 -2.588 . . . 1.0 . . . . . . . . . . . . A . 16 MVA N . . . . . . . . . c30498_6e5j 1 . 6 . 2528 . 1 1 16 MVA O O -2.826 1.114 -4.179 . . . 1.0 . . . . . . . . . . . . A . 16 MVA O . . . . . . . . . c30498_6e5j 1 . 6 . 2529 . 1 1 17 ARG C C -0.820 4.104 -2.841 . . . 1.0 . . . . . . . . . . . . A . 17 ARG C . . . . . . . . . c30498_6e5j 1 . 6 . 2530 . 1 1 17 ARG CA C -2.129 3.731 -3.519 . . . 1.0 . . . . . . . . . . . . A . 17 ARG CA . . . . . . . . . c30498_6e5j 1 . 6 . 2531 . 1 1 17 ARG CB C -2.979 4.979 -3.757 . . . 1.0 . . . . . . . . . . . . A . 17 ARG CB . . . . . . . . . c30498_6e5j 1 . 6 . 2532 . 1 1 17 ARG CD C -5.293 5.796 -4.344 . . . 1.0 . . . . . . . . . . . . A . 17 ARG CD . . . . . . . . . c30498_6e5j 1 . 6 . 2533 . 1 1 17 ARG CG C -4.244 4.710 -4.558 . . . 1.0 . . . . . . . . . . . . A . 17 ARG CG . . . . . . . . . c30498_6e5j 1 . 6 . 2534 . 1 1 17 ARG CZ C -5.495 8.200 -4.873 . . . 1.0 . . . . . . . . . . . . A . 17 ARG CZ . . . . . . . . . c30498_6e5j 1 . 6 . 2535 . 1 1 17 ARG H H -3.111 3.069 -1.777 . . . 1.0 . . . . . . . . . . . . A . 17 ARG H . . . . . . . . . c30498_6e5j 1 . 6 . 2536 . 1 1 17 ARG HA H -1.919 3.253 -4.462 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HA . . . . . . . . . c30498_6e5j 1 . 6 . 2537 . 1 1 17 ARG HB2 H -3.262 5.394 -2.802 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HB2 . . . . . . . . . c30498_6e5j 1 . 6 . 2538 . 1 1 17 ARG HB3 H -2.387 5.703 -4.292 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HB3 . . . . . . . . . c30498_6e5j 1 . 6 . 2539 . 1 1 17 ARG HD2 H -6.103 5.637 -5.040 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HD2 . . . . . . . . . c30498_6e5j 1 . 6 . 2540 . 1 1 17 ARG HD3 H -5.671 5.718 -3.334 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HD3 . . . . . . . . . c30498_6e5j 1 . 6 . 2541 . 1 1 17 ARG HE H -3.788 7.265 -4.409 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HE . . . . . . . . . c30498_6e5j 1 . 6 . 2542 . 1 1 17 ARG HG2 H -3.992 4.670 -5.607 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HG2 . . . . . . . . . c30498_6e5j 1 . 6 . 2543 . 1 1 17 ARG HG3 H -4.656 3.759 -4.251 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HG3 . . . . . . . . . c30498_6e5j 1 . 6 . 2544 . 1 1 17 ARG HH11 H -7.239 7.169 -5.008 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HH11 . . . . . . . . . c30498_6e5j 1 . 6 . 2545 . 1 1 17 ARG HH12 H -7.355 8.867 -5.332 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HH12 . . . . . . . . . c30498_6e5j 1 . 6 . 2546 . 1 1 17 ARG HH21 H -5.473 10.195 -5.234 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HH21 . . . . . . . . . c30498_6e5j 1 . 6 . 2547 . 1 1 17 ARG HH22 H -3.938 9.499 -4.822 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HH22 . . . . . . . . . c30498_6e5j 1 . 6 . 2548 . 1 1 17 ARG N N -2.863 2.796 -2.687 . . . 1.0 . . . . . . . . . . . . A . 17 ARG N . . . . . . . . . c30498_6e5j 1 . 6 . 2549 . 1 1 17 ARG NE N -4.755 7.141 -4.545 . . . 1.0 . . . . . . . . . . . . A . 17 ARG NE . . . . . . . . . c30498_6e5j 1 . 6 . 2550 . 1 1 17 ARG NH1 N -6.801 8.068 -5.089 . . . 1.0 . . . . . . . . . . . . A . 17 ARG NH1 . . . . . . . . . c30498_6e5j 1 . 6 . 2551 . 1 1 17 ARG NH2 N -4.924 9.392 -4.988 . . . 1.0 . . . . . . . . . . . . A . 17 ARG NH2 . . . . . . . . . c30498_6e5j 1 . 6 . 2552 . 1 1 17 ARG O O -0.805 4.849 -1.863 . . . 1.0 . . . . . . . . . . . . A . 17 ARG O . . . . . . . . . c30498_6e5j 1 . 6 . 2553 . 1 1 18 CYS C C 2.329 4.899 -3.456 . . . 1.0 . . . . . . . . . . . . A . 18 CYS C . . . . . . . . . c30498_6e5j 1 . 6 . 2554 . 1 1 18 CYS CA C 1.567 3.791 -2.733 . . . 1.0 . . . . . . . . . . . . A . 18 CYS CA . . . . . . . . . c30498_6e5j 1 . 6 . 2555 . 1 1 18 CYS CB C 2.379 2.497 -2.725 . . . 1.0 . . . . . . . . . . . . A . 18 CYS CB . . . . . . . . . c30498_6e5j 1 . 6 . 2556 . 1 1 18 CYS H H 0.208 3.014 -4.151 . . . 1.0 . . . . . . . . . . . . A . 18 CYS H . . . . . . . . . c30498_6e5j 1 . 6 . 2557 . 1 1 18 CYS HA H 1.395 4.098 -1.713 . . . 1.0 . . . . . . . . . . . . A . 18 CYS HA . . . . . . . . . c30498_6e5j 1 . 6 . 2558 . 1 1 18 CYS HB2 H 3.317 2.674 -2.223 . . . 1.0 . . . . . . . . . . . . A . 18 CYS HB2 . . . . . . . . . c30498_6e5j 1 . 6 . 2559 . 1 1 18 CYS HB3 H 1.824 1.746 -2.182 . . . 1.0 . . . . . . . . . . . . A . 18 CYS HB3 . . . . . . . . . c30498_6e5j 1 . 6 . 2560 . 1 1 18 CYS N N 0.272 3.568 -3.344 . . . 1.0 . . . . . . . . . . . . A . 18 CYS N . . . . . . . . . c30498_6e5j 1 . 6 . 2561 . 1 1 18 CYS O O 2.421 4.910 -4.685 . . . 1.0 . . . . . . . . . . . . A . 18 CYS O . . . . . . . . . c30498_6e5j 1 . 6 . 2562 . 1 1 18 CYS SG S 2.756 1.819 -4.374 . . . 1.0 . . . . . . . . . . . . A . 18 CYS SG . . . . . . . . . c30498_6e5j 1 . 6 . 2563 . 1 1 19 ASP C C 4.990 6.986 -2.534 . . . 1.0 . . . . . . . . . . . . A . 19 ASP C . . . . . . . . . c30498_6e5j 1 . 6 . 2564 . 1 1 19 ASP CA C 3.633 6.940 -3.221 . . . 1.0 . . . . . . . . . . . . A . 19 ASP CA . . . . . . . . . c30498_6e5j 1 . 6 . 2565 . 1 1 19 ASP CB C 2.899 8.273 -3.027 . . . 1.0 . . . . . . . . . . . . A . 19 ASP CB . . . . . . . . . c30498_6e5j 1 . 6 . 2566 . 1 1 19 ASP CG C 1.744 8.461 -3.993 . . . 1.0 . . . . . . . . . . . . A . 19 ASP CG . . . . . . . . . c30498_6e5j 1 . 6 . 2567 . 1 1 19 ASP H H 2.735 5.773 -1.710 . . . 1.0 . . . . . . . . . . . . A . 19 ASP H . . . . . . . . . c30498_6e5j 1 . 6 . 2568 . 1 1 19 ASP HA H 3.777 6.765 -4.276 . . . 1.0 . . . . . . . . . . . . A . 19 ASP HA . . . . . . . . . c30498_6e5j 1 . 6 . 2569 . 1 1 19 ASP HB2 H 2.508 8.314 -2.021 . . . 1.0 . . . . . . . . . . . . A . 19 ASP HB2 . . . . . . . . . c30498_6e5j 1 . 6 . 2570 . 1 1 19 ASP HB3 H 3.598 9.083 -3.168 . . . 1.0 . . . . . . . . . . . . A . 19 ASP HB3 . . . . . . . . . c30498_6e5j 1 . 6 . 2571 . 1 1 19 ASP N N 2.855 5.835 -2.685 . . . 1.0 . . . . . . . . . . . . A . 19 ASP N . . . . . . . . . c30498_6e5j 1 . 6 . 2572 . 1 1 19 ASP O O 5.173 7.707 -1.548 . . . 1.0 . . . . . . . . . . . . A . 19 ASP O . . . . . . . . . c30498_6e5j 1 . 6 . 2573 . 1 1 19 ASP OD1 O 0.596 8.101 -3.647 . . . 1.0 . . . . . . . . . . . . A . 19 ASP OD1 . . . . . . . . . c30498_6e5j 1 . 6 . 2574 . 1 1 19 ASP OD2 O 1.977 8.977 -5.107 . . . 1.0 . . . . . . . . . . . . A . 19 ASP OD2 . . . . . . . . . c30498_6e5j 1 . 6 . 2575 . 1 1 20 DPR C C 7.181 5.484 -1.011 . . . 1.0 . . . . . . . . . . . . A . 20 DPR C . . . . . . . . . c30498_6e5j 1 . 6 . 2576 . 1 1 20 DPR CA C 7.278 6.085 -2.413 . . . 1.0 . . . . . . . . . . . . A . 20 DPR CA . . . . . . . . . c30498_6e5j 1 . 6 . 2577 . 1 1 20 DPR CB C 8.052 5.151 -3.348 . . . 1.0 . . . . . . . . . . . . A . 20 DPR CB . . . . . . . . . c30498_6e5j 1 . 6 . 2578 . 1 1 20 DPR CD C 5.856 5.389 -4.255 . . . 1.0 . . . . . . . . . . . . A . 20 DPR CD . . . . . . . . . c30498_6e5j 1 . 6 . 2579 . 1 1 20 DPR CG C 7.291 5.157 -4.628 . . . 1.0 . . . . . . . . . . . . A . 20 DPR CG . . . . . . . . . c30498_6e5j 1 . 6 . 2580 . 1 1 20 DPR HA H 7.782 7.035 -2.364 . . . 1.0 . . . . . . . . . . . . A . 20 DPR HA . . . . . . . . . c30498_6e5j 1 . 6 . 2581 . 1 1 20 DPR HB2 H 8.089 4.162 -2.919 . . . 1.0 . . . . . . . . . . . . A . 20 DPR HB2 . . . . . . . . . c30498_6e5j 1 . 6 . 2582 . 1 1 20 DPR HB3 H 9.054 5.527 -3.484 . . . 1.0 . . . . . . . . . . . . A . 20 DPR HB3 . . . . . . . . . c30498_6e5j 1 . 6 . 2583 . 1 1 20 DPR HD2 H 5.361 4.452 -4.050 . . . 1.0 . . . . . . . . . . . . A . 20 DPR HD2 . . . . . . . . . c30498_6e5j 1 . 6 . 2584 . 1 1 20 DPR HD3 H 5.346 5.925 -5.039 . . . 1.0 . . . . . . . . . . . . A . 20 DPR HD3 . . . . . . . . . c30498_6e5j 1 . 6 . 2585 . 1 1 20 DPR HG2 H 7.399 4.205 -5.125 . . . 1.0 . . . . . . . . . . . . A . 20 DPR HG2 . . . . . . . . . c30498_6e5j 1 . 6 . 2586 . 1 1 20 DPR HG3 H 7.648 5.956 -5.263 . . . 1.0 . . . . . . . . . . . . A . 20 DPR HG3 . . . . . . . . . c30498_6e5j 1 . 6 . 2587 . 1 1 20 DPR N N 5.959 6.207 -3.036 . . . 1.0 . . . . . . . . . . . . A . 20 DPR N . . . . . . . . . c30498_6e5j 1 . 6 . 2588 . 1 1 20 DPR O O 6.686 4.369 -0.835 . . . 1.0 . . . . . . . . . . . . A . 20 DPR O . . . . . . . . . c30498_6e5j 1 . 6 . 2589 . 1 1 21 PRO C C 6.183 5.886 1.996 . . . 1.0 . . . . . . . . . . . . A . 21 PRO C . . . . . . . . . c30498_6e5j 1 . 6 . 2590 . 1 1 21 PRO CA C 7.585 5.781 1.400 . . . 1.0 . . . . . . . . . . . . A . 21 PRO CA . . . . . . . . . c30498_6e5j 1 . 6 . 2591 . 1 1 21 PRO CB C 8.533 6.744 2.109 . . . 1.0 . . . . . . . . . . . . A . 21 PRO CB . . . . . . . . . c30498_6e5j 1 . 6 . 2592 . 1 1 21 PRO CD C 8.266 7.554 -0.126 . . . 1.0 . . . . . . . . . . . . A . 21 PRO CD . . . . . . . . . c30498_6e5j 1 . 6 . 2593 . 1 1 21 PRO CG C 8.474 7.991 1.299 . . . 1.0 . . . . . . . . . . . . A . 21 PRO CG . . . . . . . . . c30498_6e5j 1 . 6 . 2594 . 1 1 21 PRO HA H 7.947 4.770 1.505 . . . 1.0 . . . . . . . . . . . . A . 21 PRO HA . . . . . . . . . c30498_6e5j 1 . 6 . 2595 . 1 1 21 PRO HB2 H 8.190 6.911 3.120 . . . 1.0 . . . . . . . . . . . . A . 21 PRO HB2 . . . . . . . . . c30498_6e5j 1 . 6 . 2596 . 1 1 21 PRO HB3 H 9.530 6.331 2.125 . . . 1.0 . . . . . . . . . . . . A . 21 PRO HB3 . . . . . . . . . c30498_6e5j 1 . 6 . 2597 . 1 1 21 PRO HD2 H 7.609 8.240 -0.639 . . . 1.0 . . . . . . . . . . . . A . 21 PRO HD2 . . . . . . . . . c30498_6e5j 1 . 6 . 2598 . 1 1 21 PRO HD3 H 9.213 7.481 -0.640 . . . 1.0 . . . . . . . . . . . . A . 21 PRO HD3 . . . . . . . . . c30498_6e5j 1 . 6 . 2599 . 1 1 21 PRO HG2 H 7.646 8.602 1.626 . . . 1.0 . . . . . . . . . . . . A . 21 PRO HG2 . . . . . . . . . c30498_6e5j 1 . 6 . 2600 . 1 1 21 PRO HG3 H 9.402 8.534 1.392 . . . 1.0 . . . . . . . . . . . . A . 21 PRO HG3 . . . . . . . . . c30498_6e5j 1 . 6 . 2601 . 1 1 21 PRO N N 7.639 6.227 0.007 . . . 1.0 . . . . . . . . . . . . A . 21 PRO N . . . . . . . . . c30498_6e5j 1 . 6 . 2602 . 1 1 21 PRO O O 5.946 5.465 3.127 . . . 1.0 . . . . . . . . . . . . A . 21 PRO O . . . . . . . . . c30498_6e5j 1 . 6 . 2603 . 1 1 22 ARG C C 2.973 5.619 1.097 . . . 1.0 . . . . . . . . . . . . A . 22 ARG C . . . . . . . . . c30498_6e5j 1 . 6 . 2604 . 1 1 22 ARG CA C 3.900 6.651 1.708 . . . 1.0 . . . . . . . . . . . . A . 22 ARG CA . . . . . . . . . c30498_6e5j 1 . 6 . 2605 . 1 1 22 ARG CB C 3.422 8.060 1.368 . . . 1.0 . . . . . . . . . . . . A . 22 ARG CB . . . . . . . . . c30498_6e5j 1 . 6 . 2606 . 1 1 22 ARG CD C 4.413 9.055 3.454 . . . 1.0 . . . . . . . . . . . . A . 22 ARG CD . . . . . . . . . c30498_6e5j 1 . 6 . 2607 . 1 1 22 ARG CG C 4.310 9.149 1.941 . . . 1.0 . . . . . . . . . . . . A . 22 ARG CG . . . . . . . . . c30498_6e5j 1 . 6 . 2608 . 1 1 22 ARG CZ C 5.738 10.060 5.276 . . . 1.0 . . . . . . . . . . . . A . 22 ARG CZ . . . . . . . . . c30498_6e5j 1 . 6 . 2609 . 1 1 22 ARG H H 5.494 6.728 0.321 . . . 1.0 . . . . . . . . . . . . A . 22 ARG H . . . . . . . . . c30498_6e5j 1 . 6 . 2610 . 1 1 22 ARG HA H 3.902 6.526 2.780 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HA . . . . . . . . . c30498_6e5j 1 . 6 . 2611 . 1 1 22 ARG HB2 H 3.400 8.171 0.294 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HB2 . . . . . . . . . c30498_6e5j 1 . 6 . 2612 . 1 1 22 ARG HB3 H 2.424 8.196 1.756 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HB3 . . . . . . . . . c30498_6e5j 1 . 6 . 2613 . 1 1 22 ARG HD2 H 3.444 9.261 3.883 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HD2 . . . . . . . . . c30498_6e5j 1 . 6 . 2614 . 1 1 22 ARG HD3 H 4.719 8.054 3.722 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HD3 . . . . . . . . . c30498_6e5j 1 . 6 . 2615 . 1 1 22 ARG HE H 5.802 10.631 3.354 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HE . . . . . . . . . c30498_6e5j 1 . 6 . 2616 . 1 1 22 ARG HG2 H 5.298 9.049 1.519 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HG2 . . . . . . . . . c30498_6e5j 1 . 6 . 2617 . 1 1 22 ARG HG3 H 3.898 10.110 1.676 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HG3 . . . . . . . . . c30498_6e5j 1 . 6 . 2618 . 1 1 22 ARG HH11 H 5.439 9.289 7.126 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HH11 . . . . . . . . . c30498_6e5j 1 . 6 . 2619 . 1 1 22 ARG HH12 H 4.464 8.602 5.871 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HH12 . . . . . . . . . c30498_6e5j 1 . 6 . 2620 . 1 1 22 ARG HH21 H 6.925 10.980 6.637 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HH21 . . . . . . . . . c30498_6e5j 1 . 6 . 2621 . 1 1 22 ARG HH22 H 7.075 11.560 5.009 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HH22 . . . . . . . . . c30498_6e5j 1 . 6 . 2622 . 1 1 22 ARG N N 5.259 6.452 1.233 . . . 1.0 . . . . . . . . . . . . A . 22 ARG N . . . . . . . . . c30498_6e5j 1 . 6 . 2623 . 1 1 22 ARG NE N 5.382 10.006 3.993 . . . 1.0 . . . . . . . . . . . . A . 22 ARG NE . . . . . . . . . c30498_6e5j 1 . 6 . 2624 . 1 1 22 ARG NH1 N 5.171 9.251 6.161 . . . 1.0 . . . . . . . . . . . . A . 22 ARG NH1 . . . . . . . . . c30498_6e5j 1 . 6 . 2625 . 1 1 22 ARG NH2 N 6.653 10.935 5.673 . . . 1.0 . . . . . . . . . . . . A . 22 ARG NH2 . . . . . . . . . c30498_6e5j 1 . 6 . 2626 . 1 1 22 ARG O O 3.064 5.320 -0.090 . . . 1.0 . . . . . . . . . . . . A . 22 ARG O . . . . . . . . . c30498_6e5j 1 . 6 . 2627 . 1 1 23 TYR C C -0.240 4.326 1.856 . . . 1.0 . . . . . . . . . . . . A . 23 TYR C . . . . . . . . . c30498_6e5j 1 . 6 . 2628 . 1 1 23 TYR CA C 1.190 4.028 1.446 . . . 1.0 . . . . . . . . . . . . A . 23 TYR CA . . . . . . . . . c30498_6e5j 1 . 6 . 2629 . 1 1 23 TYR CB C 1.616 2.671 2.007 . . . 1.0 . . . . . . . . . . . . A . 23 TYR CB . . . . . . . . . c30498_6e5j 1 . 6 . 2630 . 1 1 23 TYR CD1 C 4.074 2.586 2.563 . . . 1.0 . . . . . . . . . . . . A . 23 TYR CD1 . . . . . . . . . c30498_6e5j 1 . 6 . 2631 . 1 1 23 TYR CD2 C 3.360 1.686 0.477 . . . 1.0 . . . . . . . . . . . . A . 23 TYR CD2 . . . . . . . . . c30498_6e5j 1 . 6 . 2632 . 1 1 23 TYR CE1 C 5.380 2.259 2.262 . . . 1.0 . . . . . . . . . . . . A . 23 TYR CE1 . . . . . . . . . c30498_6e5j 1 . 6 . 2633 . 1 1 23 TYR CE2 C 4.662 1.354 0.168 . . . 1.0 . . . . . . . . . . . . A . 23 TYR CE2 . . . . . . . . . c30498_6e5j 1 . 6 . 2634 . 1 1 23 TYR CG C 3.043 2.305 1.677 . . . 1.0 . . . . . . . . . . . . A . 23 TYR CG . . . . . . . . . c30498_6e5j 1 . 6 . 2635 . 1 1 23 TYR CZ C 5.668 1.644 1.063 . . . 1.0 . . . . . . . . . . . . A . 23 TYR CZ . . . . . . . . . c30498_6e5j 1 . 6 . 2636 . 1 1 23 TYR H H 2.039 5.372 2.840 . . . 1.0 . . . . . . . . . . . . A . 23 TYR H . . . . . . . . . c30498_6e5j 1 . 6 . 2637 . 1 1 23 TYR HA H 1.245 3.992 0.368 . . . 1.0 . . . . . . . . . . . . A . 23 TYR HA . . . . . . . . . c30498_6e5j 1 . 6 . 2638 . 1 1 23 TYR HB2 H 1.517 2.687 3.082 . . . 1.0 . . . . . . . . . . . . A . 23 TYR HB2 . . . . . . . . . c30498_6e5j 1 . 6 . 2639 . 1 1 23 TYR HB3 H 0.973 1.905 1.600 . . . 1.0 . . . . . . . . . . . . A . 23 TYR HB3 . . . . . . . . . c30498_6e5j 1 . 6 . 2640 . 1 1 23 TYR HD1 H 3.845 3.068 3.501 . . . 1.0 . . . . . . . . . . . . A . 23 TYR HD1 . . . . . . . . . c30498_6e5j 1 . 6 . 2641 . 1 1 23 TYR HD2 H 2.568 1.463 -0.221 . . . 1.0 . . . . . . . . . . . . A . 23 TYR HD2 . . . . . . . . . c30498_6e5j 1 . 6 . 2642 . 1 1 23 TYR HE1 H 6.166 2.485 2.964 . . . 1.0 . . . . . . . . . . . . A . 23 TYR HE1 . . . . . . . . . c30498_6e5j 1 . 6 . 2643 . 1 1 23 TYR HE2 H 4.887 0.873 -0.771 . . . 1.0 . . . . . . . . . . . . A . 23 TYR HE2 . . . . . . . . . c30498_6e5j 1 . 6 . 2644 . 1 1 23 TYR HH H 7.398 0.966 1.549 . . . 1.0 . . . . . . . . . . . . A . 23 TYR HH . . . . . . . . . c30498_6e5j 1 . 6 . 2645 . 1 1 23 TYR N N 2.089 5.071 1.907 . . . 1.0 . . . . . . . . . . . . A . 23 TYR N . . . . . . . . . c30498_6e5j 1 . 6 . 2646 . 1 1 23 TYR O O -0.563 4.340 3.044 . . . 1.0 . . . . . . . . . . . . A . 23 TYR O . . . . . . . . . c30498_6e5j 1 . 6 . 2647 . 1 1 23 TYR OH O 6.969 1.316 0.759 . . . 1.0 . . . . . . . . . . . . A . 23 TYR OH . . . . . . . . . c30498_6e5j 1 . 6 . 2648 . 1 1 24 GLU C C -3.236 3.461 1.054 . . . 1.0 . . . . . . . . . . . . A . 24 GLU C . . . . . . . . . c30498_6e5j 1 . 6 . 2649 . 1 1 24 GLU CA C -2.497 4.786 1.138 . . . 1.0 . . . . . . . . . . . . A . 24 GLU CA . . . . . . . . . c30498_6e5j 1 . 6 . 2650 . 1 1 24 GLU CB C -3.116 5.763 0.140 . . . 1.0 . . . . . . . . . . . . A . 24 GLU CB . . . . . . . . . c30498_6e5j 1 . 6 . 2651 . 1 1 24 GLU CD C -3.524 8.142 -0.534 . . . 1.0 . . . . . . . . . . . . A . 24 GLU CD . . . . . . . . . c30498_6e5j 1 . 6 . 2652 . 1 1 24 GLU CG C -2.736 7.213 0.361 . . . 1.0 . . . . . . . . . . . . A . 24 GLU CG . . . . . . . . . c30498_6e5j 1 . 6 . 2653 . 1 1 24 GLU H H -0.758 4.627 -0.046 . . . 1.0 . . . . . . . . . . . . A . 24 GLU H . . . . . . . . . c30498_6e5j 1 . 6 . 2654 . 1 1 24 GLU HA H -2.598 5.185 2.134 . . . 1.0 . . . . . . . . . . . . A . 24 GLU HA . . . . . . . . . c30498_6e5j 1 . 6 . 2655 . 1 1 24 GLU HB2 H -2.803 5.483 -0.853 . . . 1.0 . . . . . . . . . . . . A . 24 GLU HB2 . . . . . . . . . c30498_6e5j 1 . 6 . 2656 . 1 1 24 GLU HB3 H -4.191 5.682 0.201 . . . 1.0 . . . . . . . . . . . . A . 24 GLU HB3 . . . . . . . . . c30498_6e5j 1 . 6 . 2657 . 1 1 24 GLU HG2 H -2.930 7.473 1.391 . . . 1.0 . . . . . . . . . . . . A . 24 GLU HG2 . . . . . . . . . c30498_6e5j 1 . 6 . 2658 . 1 1 24 GLU HG3 H -1.684 7.337 0.150 . . . 1.0 . . . . . . . . . . . . A . 24 GLU HG3 . . . . . . . . . c30498_6e5j 1 . 6 . 2659 . 1 1 24 GLU N N -1.087 4.583 0.878 . . . 1.0 . . . . . . . . . . . . A . 24 GLU N . . . . . . . . . c30498_6e5j 1 . 6 . 2660 . 1 1 24 GLU O O -3.064 2.715 0.093 . . . 1.0 . . . . . . . . . . . . A . 24 GLU O . . . . . . . . . c30498_6e5j 1 . 6 . 2661 . 1 1 24 GLU OE1 O -4.743 8.301 -0.309 . . . 1.0 . . . . . . . . . . . . A . 24 GLU OE1 . . . . . . . . . c30498_6e5j 1 . 6 . 2662 . 1 1 24 GLU OE2 O -2.924 8.728 -1.466 . . . 1.0 . . . . . . . . . . . . A . 24 GLU OE2 . . . . . . . . . c30498_6e5j 1 . 6 . 2663 . 1 1 25 MVA C C -6.296 2.166 2.509 . . . 1.0 . . . . . . . . . . . . A . 25 MVA C . . . . . . . . . c30498_6e5j 1 . 6 . 2664 . 1 1 25 MVA CA C -4.878 1.923 1.994 . . . 1.0 . . . . . . . . . . . . A . 25 MVA CA . . . . . . . . . c30498_6e5j 1 . 6 . 2665 . 1 1 25 MVA CB C -4.209 0.732 2.741 . . . 1.0 . . . . . . . . . . . . A . 25 MVA CB . . . . . . . . . c30498_6e5j 1 . 6 . 2666 . 1 1 25 MVA CG1 C -3.851 1.062 4.181 . . . 1.0 . . . . . . . . . . . . A . 25 MVA CG1 . . . . . . . . . c30498_6e5j 1 . 6 . 2667 . 1 1 25 MVA CG2 C -5.109 -0.495 2.681 . . . 1.0 . . . . . . . . . . . . A . 25 MVA CG2 . . . . . . . . . c30498_6e5j 1 . 6 . 2668 . 1 1 25 MVA CN C -4.238 4.093 3.179 . . . 1.0 . . . . . . . . . . . . A . 25 MVA CN . . . . . . . . . c30498_6e5j 1 . 6 . 2669 . 1 1 25 MVA HA H -4.978 1.622 0.958 . . . 1.0 . . . . . . . . . . . . A . 25 MVA HA . . . . . . . . . c30498_6e5j 1 . 6 . 2670 . 1 1 25 MVA HB H -3.292 0.489 2.223 . . . 1.0 . . . . . . . . . . . . A . 25 MVA HB . . . . . . . . . c30498_6e5j 1 . 6 . 2671 . 1 1 25 MVA HG11 H -3.137 1.872 4.197 . . . 1.0 . . . . . . . . . . . . A . 25 MVA HG11 . . . . . . . . . c30498_6e5j 1 . 6 . 2672 . 1 1 25 MVA HG12 H -3.419 0.193 4.653 . . . 1.0 . . . . . . . . . . . . A . 25 MVA HG12 . . . . . . . . . c30498_6e5j 1 . 6 . 2673 . 1 1 25 MVA HG13 H -4.742 1.357 4.715 . . . 1.0 . . . . . . . . . . . . A . 25 MVA HG13 . . . . . . . . . c30498_6e5j 1 . 6 . 2674 . 1 1 25 MVA HG21 H -6.051 -0.273 3.160 . . . 1.0 . . . . . . . . . . . . A . 25 MVA HG21 . . . . . . . . . c30498_6e5j 1 . 6 . 2675 . 1 1 25 MVA HG22 H -4.630 -1.319 3.190 . . . 1.0 . . . . . . . . . . . . A . 25 MVA HG22 . . . . . . . . . c30498_6e5j 1 . 6 . 2676 . 1 1 25 MVA HG23 H -5.285 -0.761 1.649 . . . 1.0 . . . . . . . . . . . . A . 25 MVA HG23 . . . . . . . . . c30498_6e5j 1 . 6 . 2677 . 1 1 25 MVA HN1 H -3.308 4.163 3.721 . . . 1.0 . . . . . . . . . . . . A . 25 MVA HN1 . . . . . . . . . c30498_6e5j 1 . 6 . 2678 . 1 1 25 MVA HN2 H -5.014 3.730 3.839 . . . 1.0 . . . . . . . . . . . . A . 25 MVA HN2 . . . . . . . . . c30498_6e5j 1 . 6 . 2679 . 1 1 25 MVA HN3 H -4.512 5.068 2.806 . . . 1.0 . . . . . . . . . . . . A . 25 MVA HN3 . . . . . . . . . c30498_6e5j 1 . 6 . 2680 . 1 1 25 MVA N N -4.081 3.155 2.043 . . . 1.0 . . . . . . . . . . . . A . 25 MVA N . . . . . . . . . c30498_6e5j 1 . 6 . 2681 . 1 1 25 MVA O O -6.566 2.213 3.713 . . . 1.0 . . . . . . . . . . . . A . 25 MVA O . . . . . . . . . c30498_6e5j 1 . 6 . 2682 . 1 1 26 HIS C C -9.453 1.459 1.655 . . . 1.0 . . . . . . . . . . . . A . 26 HIS C . . . . . . . . . c30498_6e5j 1 . 6 . 2683 . 1 1 26 HIS CA C -8.572 2.682 1.850 . . . 1.0 . . . . . . . . . . . . A . 26 HIS CA . . . . . . . . . c30498_6e5j 1 . 6 . 2684 . 1 1 26 HIS CB C -9.033 3.827 0.942 . . . 1.0 . . . . . . . . . . . . A . 26 HIS CB . . . . . . . . . c30498_6e5j 1 . 6 . 2685 . 1 1 26 HIS CD2 C -7.258 5.569 0.168 . . . 1.0 . . . . . . . . . . . . A . 26 HIS CD2 . . . . . . . . . c30498_6e5j 1 . 6 . 2686 . 1 1 26 HIS CE1 C -7.324 6.897 1.910 . . . 1.0 . . . . . . . . . . . . A . 26 HIS CE1 . . . . . . . . . c30498_6e5j 1 . 6 . 2687 . 1 1 26 HIS CG C -8.174 5.060 1.031 . . . 1.0 . . . . . . . . . . . . A . 26 HIS CG . . . . . . . . . c30498_6e5j 1 . 6 . 2688 . 1 1 26 HIS H H -6.934 2.171 0.625 . . . 1.0 . . . . . . . . . . . . A . 26 HIS H . . . . . . . . . c30498_6e5j 1 . 6 . 2689 . 1 1 26 HIS HA H -8.628 2.997 2.880 . . . 1.0 . . . . . . . . . . . . A . 26 HIS HA . . . . . . . . . c30498_6e5j 1 . 6 . 2690 . 1 1 26 HIS HB2 H -9.023 3.488 -0.083 . . . 1.0 . . . . . . . . . . . . A . 26 HIS HB2 . . . . . . . . . c30498_6e5j 1 . 6 . 2691 . 1 1 26 HIS HB3 H -10.039 4.103 1.212 . . . 1.0 . . . . . . . . . . . . A . 26 HIS HB3 . . . . . . . . . c30498_6e5j 1 . 6 . 2692 . 1 1 26 HIS HD1 H -8.752 5.820 2.914 . . . 1.0 . . . . . . . . . . . . A . 26 HIS HD1 . . . . . . . . . c30498_6e5j 1 . 6 . 2693 . 1 1 26 HIS HD2 H -6.986 5.157 -0.792 . . . 1.0 . . . . . . . . . . . . A . 26 HIS HD2 . . . . . . . . . c30498_6e5j 1 . 6 . 2694 . 1 1 26 HIS HE1 H -7.122 7.711 2.589 . . . 1.0 . . . . . . . . . . . . A . 26 HIS HE1 . . . . . . . . . c30498_6e5j 1 . 6 . 2695 . 1 1 26 HIS HE2 H -6.041 7.286 0.349 . . . 1.0 . . . . . . . . . . . . A . 26 HIS HE2 . . . . . . . . . c30498_6e5j 1 . 6 . 2696 . 1 1 26 HIS N N -7.197 2.330 1.560 . . . 1.0 . . . . . . . . . . . . A . 26 HIS N . . . . . . . . . c30498_6e5j 1 . 6 . 2697 . 1 1 26 HIS ND1 N -8.189 5.917 2.112 . . . 1.0 . . . . . . . . . . . . A . 26 HIS ND1 . . . . . . . . . c30498_6e5j 1 . 6 . 2698 . 1 1 26 HIS NE2 N -6.746 6.708 0.739 . . . 1.0 . . . . . . . . . . . . A . 26 HIS NE2 . . . . . . . . . c30498_6e5j 1 . 6 . 2699 . 1 1 26 HIS O O -9.597 0.955 0.543 . . . 1.0 . . . . . . . . . . . . A . 26 HIS O . . . . . . . . . c30498_6e5j 1 . 6 . 2700 . 1 1 27 CYS C C -12.183 -0.057 3.219 . . . 1.0 . . . . . . . . . . . . A . 27 CYS C . . . . . . . . . c30498_6e5j 1 . 6 . 2701 . 1 1 27 CYS CA C -10.770 -0.271 2.690 . . . 1.0 . . . . . . . . . . . . A . 27 CYS CA . . . . . . . . . c30498_6e5j 1 . 6 . 2702 . 1 1 27 CYS CB C -10.050 -1.345 3.505 . . . 1.0 . . . . . . . . . . . . A . 27 CYS CB . . . . . . . . . c30498_6e5j 1 . 6 . 2703 . 1 1 27 CYS H H -9.923 1.442 3.590 . . . 1.0 . . . . . . . . . . . . A . 27 CYS H . . . . . . . . . c30498_6e5j 1 . 6 . 2704 . 1 1 27 CYS HA H -10.823 -0.590 1.661 . . . 1.0 . . . . . . . . . . . . A . 27 CYS HA . . . . . . . . . c30498_6e5j 1 . 6 . 2705 . 1 1 27 CYS HB2 H -8.985 -1.230 3.375 . . . 1.0 . . . . . . . . . . . . A . 27 CYS HB2 . . . . . . . . . c30498_6e5j 1 . 6 . 2706 . 1 1 27 CYS HB3 H -10.295 -1.217 4.548 . . . 1.0 . . . . . . . . . . . . A . 27 CYS HB3 . . . . . . . . . c30498_6e5j 1 . 6 . 2707 . 1 1 27 CYS N N -10.015 0.965 2.738 . . . 1.0 . . . . . . . . . . . . A . 27 CYS N . . . . . . . . . c30498_6e5j 1 . 6 . 2708 . 1 1 27 CYS O O -12.442 -0.179 4.414 . . . 1.0 . . . . . . . . . . . . A . 27 CYS O . . . . . . . . . c30498_6e5j 1 . 6 . 2709 . 1 1 27 CYS SG S -10.483 -3.051 3.034 . . . 1.0 . . . . . . . . . . . . A . 27 CYS SG . . . . . . . . . c30498_6e5j 1 . 6 . 2710 . 1 1 28 NH2 HN1 H -12.817 0.362 1.384 . . . 1.0 . . . . . . . . . . . . A . 28 NH2 HN1 . . . . . . . . . c30498_6e5j 1 . 6 . 2711 . 1 1 28 NH2 HN2 H -14.009 0.438 2.631 . . . 1.0 . . . . . . . . . . . . A . 28 NH2 HN2 . . . . . . . . . c30498_6e5j 1 . 6 . 2712 . 1 1 28 NH2 N N -13.094 0.281 2.323 . . . 1.0 . . . . . . . . . . . . A . 28 NH2 N . . . . . . . . . c30498_6e5j 1 . 7 . 2713 . 1 1 1 ASN C C 11.092 -4.611 -1.117 . . . 1.0 . . . . . . . . . . . . A . 1 ASN C . . . . . . . . . c30498_6e5j 1 . 7 . 2714 . 1 1 1 ASN CA C 12.322 -3.888 -0.580 . . . 1.0 . . . . . . . . . . . . A . 1 ASN CA . . . . . . . . . c30498_6e5j 1 . 7 . 2715 . 1 1 1 ASN CB C 13.455 -3.970 -1.610 . . . 1.0 . . . . . . . . . . . . A . 1 ASN CB . . . . . . . . . c30498_6e5j 1 . 7 . 2716 . 1 1 1 ASN CG C 13.795 -5.398 -1.995 . . . 1.0 . . . . . . . . . . . . A . 1 ASN CG . . . . . . . . . c30498_6e5j 1 . 7 . 2717 . 1 1 1 ASN H1 H 11.966 -4.444 1.397 . . . 1.0 . . . . . . . . . . . . A . 1 ASN H1 . . . . . . . . . c30498_6e5j 1 . 7 . 2718 . 1 1 1 ASN H2 H 13.546 -3.922 1.104 . . . 1.0 . . . . . . . . . . . . A . 1 ASN H2 . . . . . . . . . c30498_6e5j 1 . 7 . 2719 . 1 1 1 ASN H3 H 13.055 -5.453 0.587 . . . 1.0 . . . . . . . . . . . . A . 1 ASN H3 . . . . . . . . . c30498_6e5j 1 . 7 . 2720 . 1 1 1 ASN HA H 12.069 -2.851 -0.416 . . . 1.0 . . . . . . . . . . . . A . 1 ASN HA . . . . . . . . . c30498_6e5j 1 . 7 . 2721 . 1 1 1 ASN HB2 H 13.159 -3.439 -2.501 . . . 1.0 . . . . . . . . . . . . A . 1 ASN HB2 . . . . . . . . . c30498_6e5j 1 . 7 . 2722 . 1 1 1 ASN HB3 H 14.339 -3.507 -1.198 . . . 1.0 . . . . . . . . . . . . A . 1 ASN HB3 . . . . . . . . . c30498_6e5j 1 . 7 . 2723 . 1 1 1 ASN HD21 H 15.185 -5.490 -0.573 . . . 1.0 . . . . . . . . . . . . A . 1 ASN HD21 . . . . . . . . . c30498_6e5j 1 . 7 . 2724 . 1 1 1 ASN HD22 H 14.984 -6.920 -1.528 . . . 1.0 . . . . . . . . . . . . A . 1 ASN HD22 . . . . . . . . . c30498_6e5j 1 . 7 . 2725 . 1 1 1 ASN N N 12.752 -4.469 0.714 . . . 1.0 . . . . . . . . . . . . A . 1 ASN N . . . . . . . . . c30498_6e5j 1 . 7 . 2726 . 1 1 1 ASN ND2 N 14.749 -5.995 -1.295 . . . 1.0 . . . . . . . . . . . . A . 1 ASN ND2 . . . . . . . . . c30498_6e5j 1 . 7 . 2727 . 1 1 1 ASN O O 10.458 -4.150 -2.070 . . . 1.0 . . . . . . . . . . . . A . 1 ASN O . . . . . . . . . c30498_6e5j 1 . 7 . 2728 . 1 1 1 ASN OD1 O 13.211 -5.960 -2.921 . . . 1.0 . . . . . . . . . . . . A . 1 ASN OD1 . . . . . . . . . c30498_6e5j 1 . 7 . 2729 . 1 1 2 ASP C C 8.309 -5.873 -0.444 . . . 1.0 . . . . . . . . . . . . A . 2 ASP C . . . . . . . . . c30498_6e5j 1 . 7 . 2730 . 1 1 2 ASP CA C 9.599 -6.527 -0.922 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CA . . . . . . . . . c30498_6e5j 1 . 7 . 2731 . 1 1 2 ASP CB C 9.688 -7.961 -0.383 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CB . . . . . . . . . c30498_6e5j 1 . 7 . 2732 . 1 1 2 ASP CG C 10.810 -8.768 -1.014 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CG . . . . . . . . . c30498_6e5j 1 . 7 . 2733 . 1 1 2 ASP H H 11.301 -6.061 0.247 . . . 1.0 . . . . . . . . . . . . A . 2 ASP H . . . . . . . . . c30498_6e5j 1 . 7 . 2734 . 1 1 2 ASP HA H 9.592 -6.557 -2.002 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HA . . . . . . . . . c30498_6e5j 1 . 7 . 2735 . 1 1 2 ASP HB2 H 9.854 -7.927 0.683 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HB2 . . . . . . . . . c30498_6e5j 1 . 7 . 2736 . 1 1 2 ASP HB3 H 8.754 -8.466 -0.578 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HB3 . . . . . . . . . c30498_6e5j 1 . 7 . 2737 . 1 1 2 ASP N N 10.757 -5.742 -0.505 . . . 1.0 . . . . . . . . . . . . A . 2 ASP N . . . . . . . . . c30498_6e5j 1 . 7 . 2738 . 1 1 2 ASP O O 7.235 -6.091 -1.012 . . . 1.0 . . . . . . . . . . . . A . 2 ASP O . . . . . . . . . c30498_6e5j 1 . 7 . 2739 . 1 1 2 ASP OD1 O 10.539 -9.531 -1.964 . . . 1.0 . . . . . . . . . . . . A . 2 ASP OD1 . . . . . . . . . c30498_6e5j 1 . 7 . 2740 . 1 1 2 ASP OD2 O 11.967 -8.663 -0.551 . . . 1.0 . . . . . . . . . . . . A . 2 ASP OD2 . . . . . . . . . c30498_6e5j 1 . 7 . 2741 . 1 1 3 B3K C C 5.992 -2.491 0.061 . . . 1.0 . . . . . . . . . . . . A . 3 B3K C . . . . . . . . . c30498_6e5j 1 . 7 . 2742 . 1 1 3 B3K CA C 7.273 -2.895 0.750 . . . 1.0 . . . . . . . . . . . . A . 3 B3K CA . . . . . . . . . c30498_6e5j 1 . 7 . 2743 . 1 1 3 B3K CB C 7.266 -4.368 1.146 . . . 1.0 . . . . . . . . . . . . A . 3 B3K CB . . . . . . . . . c30498_6e5j 1 . 7 . 2744 . 1 1 3 B3K CD C 7.205 -5.884 3.194 . . . 1.0 . . . . . . . . . . . . A . 3 B3K CD . . . . . . . . . c30498_6e5j 1 . 7 . 2745 . 1 1 3 B3K CE C 7.164 -5.914 4.709 . . . 1.0 . . . . . . . . . . . . A . 3 B3K CE . . . . . . . . . c30498_6e5j 1 . 7 . 2746 . 1 1 3 B3K CF C 7.162 -7.338 5.235 . . . 1.0 . . . . . . . . . . . . A . 3 B3K CF . . . . . . . . . c30498_6e5j 1 . 7 . 2747 . 1 1 3 B3K CG C 7.254 -4.461 2.672 . . . 1.0 . . . . . . . . . . . . A . 3 B3K CG . . . . . . . . . c30498_6e5j 1 . 7 . 2748 . 1 1 3 B3K H H 9.301 -4.919 1.010 . . . 1.0 . . . . . . . . . . . . A . 3 B3K H . . . . . . . . . c30498_6e5j 1 . 7 . 2749 . 1 1 3 B3K HA1 H 7.390 -2.293 1.637 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HA1 . . . . . . . . . c30498_6e5j 1 . 7 . 2750 . 1 1 3 B3K HA2 H 8.099 -2.709 0.077 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HA2 . . . . . . . . . c30498_6e5j 1 . 7 . 2751 . 1 1 3 B3K HB H 6.380 -4.842 0.731 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HB . . . . . . . . . c30498_6e5j 1 . 7 . 2752 . 1 1 3 B3K HD2 H 8.083 -6.414 2.855 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HD2 . . . . . . . . . c30498_6e5j 1 . 7 . 2753 . 1 1 3 B3K HD3 H 6.319 -6.368 2.811 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HD3 . . . . . . . . . c30498_6e5j 1 . 7 . 2754 . 1 1 3 B3K HE2 H 6.267 -5.415 5.045 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HE2 . . . . . . . . . c30498_6e5j 1 . 7 . 2755 . 1 1 3 B3K HE3 H 8.032 -5.400 5.095 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HE3 . . . . . . . . . c30498_6e5j 1 . 7 . 2756 . 1 1 3 B3K HF1 H 7.140 -7.308 6.313 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HF1 . . . . . . . . . c30498_6e5j 1 . 7 . 2757 . 1 1 3 B3K HF2 H 8.065 -7.832 4.908 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HF2 . . . . . . . . . c30498_6e5j 1 . 7 . 2758 . 1 1 3 B3K HG2 H 6.389 -3.933 3.046 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HG2 . . . . . . . . . c30498_6e5j 1 . 7 . 2759 . 1 1 3 B3K HG3 H 8.146 -3.989 3.058 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HG3 . . . . . . . . . c30498_6e5j 1 . 7 . 2760 . 1 1 3 B3K HNZ1 H 6.029 -9.085 5.105 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HNZ1 . . . . . . . . . c30498_6e5j 1 . 7 . 2761 . 1 1 3 B3K HNZ2 H 5.976 -8.134 3.711 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HNZ2 . . . . . . . . . c30498_6e5j 1 . 7 . 2762 . 1 1 3 B3K N N 8.419 -5.059 0.601 . . . 1.0 . . . . . . . . . . . . A . 3 B3K N . . . . . . . . . c30498_6e5j 1 . 7 . 2763 . 1 1 3 B3K NZ N 5.987 -8.110 4.750 . . . 1.0 . . . . . . . . . . . . A . 3 B3K NZ . . . . . . . . . c30498_6e5j 1 . 7 . 2764 . 1 1 3 B3K O O 4.893 -2.770 0.547 . . . 1.0 . . . . . . . . . . . . A . 3 B3K O . . . . . . . . . c30498_6e5j 1 . 7 . 2765 . 1 1 4 CYS C C 4.373 -2.697 -2.520 . . . 1.0 . . . . . . . . . . . . A . 4 CYS C . . . . . . . . . c30498_6e5j 1 . 7 . 2766 . 1 1 4 CYS CA C 4.985 -1.461 -1.880 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CA . . . . . . . . . c30498_6e5j 1 . 7 . 2767 . 1 1 4 CYS CB C 5.388 -0.439 -2.952 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CB . . . . . . . . . c30498_6e5j 1 . 7 . 2768 . 1 1 4 CYS H H 7.033 -1.638 -1.409 . . . 1.0 . . . . . . . . . . . . A . 4 CYS H . . . . . . . . . c30498_6e5j 1 . 7 . 2769 . 1 1 4 CYS HA H 4.259 -1.018 -1.220 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HA . . . . . . . . . c30498_6e5j 1 . 7 . 2770 . 1 1 4 CYS HB2 H 5.922 0.371 -2.483 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB2 . . . . . . . . . c30498_6e5j 1 . 7 . 2771 . 1 1 4 CYS HB3 H 6.035 -0.919 -3.672 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB3 . . . . . . . . . c30498_6e5j 1 . 7 . 2772 . 1 1 4 CYS N N 6.133 -1.849 -1.086 . . . 1.0 . . . . . . . . . . . . A . 4 CYS N . . . . . . . . . c30498_6e5j 1 . 7 . 2773 . 1 1 4 CYS O O 3.158 -2.877 -2.475 . . . 1.0 . . . . . . . . . . . . A . 4 CYS O . . . . . . . . . c30498_6e5j 1 . 7 . 2774 . 1 1 4 CYS SG S 3.985 0.282 -3.865 . . . 1.0 . . . . . . . . . . . . A . 4 CYS SG . . . . . . . . . c30498_6e5j 1 . 7 . 2775 . 1 1 5 LYS C C 3.841 -5.573 -2.832 . . . 1.0 . . . . . . . . . . . . A . 5 LYS C . . . . . . . . . c30498_6e5j 1 . 7 . 2776 . 1 1 5 LYS CA C 4.792 -4.794 -3.733 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CA . . . . . . . . . c30498_6e5j 1 . 7 . 2777 . 1 1 5 LYS CB C 5.996 -5.670 -4.100 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CB . . . . . . . . . c30498_6e5j 1 . 7 . 2778 . 1 1 5 LYS CD C 6.458 -4.629 -6.348 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CD . . . . . . . . . c30498_6e5j 1 . 7 . 2779 . 1 1 5 LYS CE C 7.507 -3.983 -7.241 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CE . . . . . . . . . c30498_6e5j 1 . 7 . 2780 . 1 1 5 LYS CG C 7.026 -4.982 -4.984 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CG . . . . . . . . . c30498_6e5j 1 . 7 . 2781 . 1 1 5 LYS H H 6.196 -3.386 -2.998 . . . 1.0 . . . . . . . . . . . . A . 5 LYS H . . . . . . . . . c30498_6e5j 1 . 7 . 2782 . 1 1 5 LYS HA H 4.269 -4.513 -4.634 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HA . . . . . . . . . c30498_6e5j 1 . 7 . 2783 . 1 1 5 LYS HB2 H 6.488 -5.980 -3.190 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HB2 . . . . . . . . . c30498_6e5j 1 . 7 . 2784 . 1 1 5 LYS HB3 H 5.639 -6.546 -4.619 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HB3 . . . . . . . . . c30498_6e5j 1 . 7 . 2785 . 1 1 5 LYS HD2 H 6.101 -5.530 -6.824 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HD2 . . . . . . . . . c30498_6e5j 1 . 7 . 2786 . 1 1 5 LYS HD3 H 5.637 -3.941 -6.217 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HD3 . . . . . . . . . c30498_6e5j 1 . 7 . 2787 . 1 1 5 LYS HE2 H 8.323 -4.676 -7.377 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HE2 . . . . . . . . . c30498_6e5j 1 . 7 . 2788 . 1 1 5 LYS HE3 H 7.060 -3.764 -8.200 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HE3 . . . . . . . . . c30498_6e5j 1 . 7 . 2789 . 1 1 5 LYS HG2 H 7.352 -4.076 -4.500 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HG2 . . . . . . . . . c30498_6e5j 1 . 7 . 2790 . 1 1 5 LYS HG3 H 7.869 -5.643 -5.116 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HG3 . . . . . . . . . c30498_6e5j 1 . 7 . 2791 . 1 1 5 LYS HZ1 H 8.739 -2.301 -7.294 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ1 . . . . . . . . . c30498_6e5j 1 . 7 . 2792 . 1 1 5 LYS HZ2 H 8.495 -2.915 -5.741 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ2 . . . . . . . . . c30498_6e5j 1 . 7 . 2793 . 1 1 5 LYS HZ3 H 7.267 -2.040 -6.509 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ3 . . . . . . . . . c30498_6e5j 1 . 7 . 2794 . 1 1 5 LYS N N 5.234 -3.568 -3.063 . . . 1.0 . . . . . . . . . . . . A . 5 LYS N . . . . . . . . . c30498_6e5j 1 . 7 . 2795 . 1 1 5 LYS NZ N 8.039 -2.724 -6.656 . . . 1.0 . . . . . . . . . . . . A . 5 LYS NZ . . . . . . . . . c30498_6e5j 1 . 7 . 2796 . 1 1 5 LYS O O 2.626 -5.600 -3.062 . . . 1.0 . . . . . . . . . . . . A . 5 LYS O . . . . . . . . . c30498_6e5j 1 . 7 . 2797 . 1 1 6 B3E C C 2.516 -5.685 1.054 . . . 1.0 . . . . . . . . . . . . A . 6 B3E C . . . . . . . . . c30498_6e5j 1 . 7 . 2798 . 1 1 6 B3E CA C 3.755 -6.374 0.541 . . . 1.0 . . . . . . . . . . . . A . 6 B3E CA . . . . . . . . . c30498_6e5j 1 . 7 . 2799 . 1 1 6 B3E CB C 3.579 -6.932 -0.867 . . . 1.0 . . . . . . . . . . . . A . 6 B3E CB . . . . . . . . . c30498_6e5j 1 . 7 . 2800 . 1 1 6 B3E CD C 3.113 -9.291 0.020 . . . 1.0 . . . . . . . . . . . . A . 6 B3E CD . . . . . . . . . c30498_6e5j 1 . 7 . 2801 . 1 1 6 B3E CE C 3.573 -10.735 0.049 . . . 1.0 . . . . . . . . . . . . A . 6 B3E CE . . . . . . . . . c30498_6e5j 1 . 7 . 2802 . 1 1 6 B3E CG C 3.993 -8.411 -0.857 . . . 1.0 . . . . . . . . . . . . A . 6 B3E CG . . . . . . . . . c30498_6e5j 1 . 7 . 2803 . 1 1 6 B3E H H 5.365 -6.151 -1.663 . . . 1.0 . . . . . . . . . . . . A . 6 B3E H . . . . . . . . . c30498_6e5j 1 . 7 . 2804 . 1 1 6 B3E HA1 H 4.000 -7.181 1.212 . . . 1.0 . . . . . . . . . . . . A . 6 B3E HA1 . . . . . . . . . c30498_6e5j 1 . 7 . 2805 . 1 1 6 B3E HA2 H 4.563 -5.658 0.538 . . . 1.0 . . . . . . . . . . . . A . 6 B3E HA2 . . . . . . . . . c30498_6e5j 1 . 7 . 2806 . 1 1 6 B3E HB H 2.537 -6.799 -1.187 . . . 1.0 . . . . . . . . . . . . A . 6 B3E HB . . . . . . . . . c30498_6e5j 1 . 7 . 2807 . 1 1 6 B3E HD2 H 2.104 -9.258 -0.360 . . . 1.0 . . . . . . . . . . . . A . 6 B3E HD2 . . . . . . . . . c30498_6e5j 1 . 7 . 2808 . 1 1 6 B3E HD3 H 3.130 -8.906 1.027 . . . 1.0 . . . . . . . . . . . . A . 6 B3E HD3 . . . . . . . . . c30498_6e5j 1 . 7 . 2809 . 1 1 6 B3E HG2 H 5.008 -8.483 -0.499 . . . 1.0 . . . . . . . . . . . . A . 6 B3E HG2 . . . . . . . . . c30498_6e5j 1 . 7 . 2810 . 1 1 6 B3E HG3 H 3.949 -8.789 -1.867 . . . 1.0 . . . . . . . . . . . . A . 6 B3E HG3 . . . . . . . . . c30498_6e5j 1 . 7 . 2811 . 1 1 6 B3E N N 4.390 -6.196 -1.798 . . . 1.0 . . . . . . . . . . . . A . 6 B3E N . . . . . . . . . c30498_6e5j 1 . 7 . 2812 . 1 1 6 B3E O O 1.528 -6.327 1.424 . . . 1.0 . . . . . . . . . . . . A . 6 B3E O . . . . . . . . . c30498_6e5j 1 . 7 . 2813 . 1 1 6 B3E OF1 O 3.004 -11.563 -0.695 . . . 1.0 . . . . . . . . . . . . A . 6 B3E OF1 . . . . . . . . . c30498_6e5j 1 . 7 . 2814 . 1 1 6 B3E OF2 O 4.511 -11.050 0.813 . . . 1.0 . . . . . . . . . . . . A . 6 B3E OF2 . . . . . . . . . c30498_6e5j 1 . 7 . 2815 . 1 1 7 LEU C C 0.388 -3.322 0.550 . . . 1.0 . . . . . . . . . . . . A . 7 LEU C . . . . . . . . . c30498_6e5j 1 . 7 . 2816 . 1 1 7 LEU CA C 1.478 -3.559 1.588 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CA . . . . . . . . . c30498_6e5j 1 . 7 . 2817 . 1 1 7 LEU CB C 2.015 -2.235 2.128 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CB . . . . . . . . . c30498_6e5j 1 . 7 . 2818 . 1 1 7 LEU CD1 C 3.578 -1.021 3.671 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CD1 . . . . . . . . . c30498_6e5j 1 . 7 . 2819 . 1 1 7 LEU CD2 C 2.516 -3.150 4.415 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CD2 . . . . . . . . . c30498_6e5j 1 . 7 . 2820 . 1 1 7 LEU CG C 3.073 -2.380 3.227 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CG . . . . . . . . . c30498_6e5j 1 . 7 . 2821 . 1 1 7 LEU H H 3.354 -3.904 0.685 . . . 1.0 . . . . . . . . . . . . A . 7 LEU H . . . . . . . . . c30498_6e5j 1 . 7 . 2822 . 1 1 7 LEU HA H 1.045 -4.112 2.407 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HA . . . . . . . . . c30498_6e5j 1 . 7 . 2823 . 1 1 7 LEU HB2 H 2.447 -1.682 1.306 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HB2 . . . . . . . . . c30498_6e5j 1 . 7 . 2824 . 1 1 7 LEU HB3 H 1.188 -1.669 2.527 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HB3 . . . . . . . . . c30498_6e5j 1 . 7 . 2825 . 1 1 7 LEU HD11 H 4.325 -1.150 4.440 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD11 . . . . . . . . . c30498_6e5j 1 . 7 . 2826 . 1 1 7 LEU HD12 H 2.756 -0.439 4.059 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD12 . . . . . . . . . c30498_6e5j 1 . 7 . 2827 . 1 1 7 LEU HD13 H 4.016 -0.507 2.827 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD13 . . . . . . . . . c30498_6e5j 1 . 7 . 2828 . 1 1 7 LEU HD21 H 2.264 -4.153 4.109 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD21 . . . . . . . . . c30498_6e5j 1 . 7 . 2829 . 1 1 7 LEU HD22 H 1.632 -2.652 4.784 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD22 . . . . . . . . . c30498_6e5j 1 . 7 . 2830 . 1 1 7 LEU HD23 H 3.259 -3.189 5.198 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD23 . . . . . . . . . c30498_6e5j 1 . 7 . 2831 . 1 1 7 LEU HG H 3.913 -2.934 2.835 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HG . . . . . . . . . c30498_6e5j 1 . 7 . 2832 . 1 1 7 LEU N N 2.561 -4.359 1.054 . . . 1.0 . . . . . . . . . . . . A . 7 LEU N . . . . . . . . . c30498_6e5j 1 . 7 . 2833 . 1 1 7 LEU O O -0.792 -3.354 0.885 . . . 1.0 . . . . . . . . . . . . A . 7 LEU O . . . . . . . . . c30498_6e5j 1 . 7 . 2834 . 1 1 8 LYS C C -0.963 -4.270 -1.941 . . . 1.0 . . . . . . . . . . . . A . 8 LYS C . . . . . . . . . c30498_6e5j 1 . 7 . 2835 . 1 1 8 LYS CA C -0.249 -2.943 -1.750 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CA . . . . . . . . . c30498_6e5j 1 . 7 . 2836 . 1 1 8 LYS CB C 0.362 -2.490 -3.076 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CB . . . . . . . . . c30498_6e5j 1 . 7 . 2837 . 1 1 8 LYS CD C -0.036 -2.046 -5.521 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CD . . . . . . . . . c30498_6e5j 1 . 7 . 2838 . 1 1 8 LYS CE C 0.941 -0.883 -5.519 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CE . . . . . . . . . c30498_6e5j 1 . 7 . 2839 . 1 1 8 LYS CG C -0.676 -2.245 -4.159 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CG . . . . . . . . . c30498_6e5j 1 . 7 . 2840 . 1 1 8 LYS H H 1.715 -3.022 -0.940 . . . 1.0 . . . . . . . . . . . . A . 8 LYS H . . . . . . . . . c30498_6e5j 1 . 7 . 2841 . 1 1 8 LYS HA H -0.962 -2.208 -1.415 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HA . . . . . . . . . c30498_6e5j 1 . 7 . 2842 . 1 1 8 LYS HB2 H 0.909 -1.573 -2.913 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB2 . . . . . . . . . c30498_6e5j 1 . 7 . 2843 . 1 1 8 LYS HB3 H 1.043 -3.251 -3.425 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB3 . . . . . . . . . c30498_6e5j 1 . 7 . 2844 . 1 1 8 LYS HD2 H 0.496 -2.946 -5.793 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD2 . . . . . . . . . c30498_6e5j 1 . 7 . 2845 . 1 1 8 LYS HD3 H -0.812 -1.851 -6.247 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD3 . . . . . . . . . c30498_6e5j 1 . 7 . 2846 . 1 1 8 LYS HE2 H 0.434 -0.003 -5.156 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE2 . . . . . . . . . c30498_6e5j 1 . 7 . 2847 . 1 1 8 LYS HE3 H 1.762 -1.122 -4.861 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE3 . . . . . . . . . c30498_6e5j 1 . 7 . 2848 . 1 1 8 LYS HG2 H -1.337 -3.096 -4.206 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG2 . . . . . . . . . c30498_6e5j 1 . 7 . 2849 . 1 1 8 LYS HG3 H -1.243 -1.362 -3.905 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG3 . . . . . . . . . c30498_6e5j 1 . 7 . 2850 . 1 1 8 LYS HZ1 H 0.702 -0.336 -7.515 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ1 . . . . . . . . . c30498_6e5j 1 . 7 . 2851 . 1 1 8 LYS HZ2 H 1.936 -1.462 -7.258 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ2 . . . . . . . . . c30498_6e5j 1 . 7 . 2852 . 1 1 8 LYS HZ3 H 2.170 0.160 -6.840 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ3 . . . . . . . . . c30498_6e5j 1 . 7 . 2853 . 1 1 8 LYS N N 0.760 -3.089 -0.709 . . . 1.0 . . . . . . . . . . . . A . 8 LYS N . . . . . . . . . c30498_6e5j 1 . 7 . 2854 . 1 1 8 LYS NZ N 1.473 -0.610 -6.876 . . . 1.0 . . . . . . . . . . . . A . 8 LYS NZ . . . . . . . . . c30498_6e5j 1 . 7 . 2855 . 1 1 8 LYS O O -2.168 -4.383 -1.718 . . . 1.0 . . . . . . . . . . . . A . 8 LYS O . . . . . . . . . c30498_6e5j 1 . 7 . 2856 . 1 1 9 B3K C C -1.088 -8.112 -0.533 . . . 1.0 . . . . . . . . . . . . A . 9 B3K C . . . . . . . . . c30498_6e5j 1 . 7 . 2857 . 1 1 9 B3K CA C -0.123 -7.589 -1.569 . . . 1.0 . . . . . . . . . . . . A . 9 B3K CA . . . . . . . . . c30498_6e5j 1 . 7 . 2858 . 1 1 9 B3K CB C -0.759 -6.597 -2.539 . . . 1.0 . . . . . . . . . . . . A . 9 B3K CB . . . . . . . . . c30498_6e5j 1 . 7 . 2859 . 1 1 9 B3K CD C -0.935 -6.117 -5.048 . . . 1.0 . . . . . . . . . . . . A . 9 B3K CD . . . . . . . . . c30498_6e5j 1 . 7 . 2860 . 1 1 9 B3K CE C -0.493 -6.577 -6.429 . . . 1.0 . . . . . . . . . . . . A . 9 B3K CE . . . . . . . . . c30498_6e5j 1 . 7 . 2861 . 1 1 9 B3K CF C -0.940 -5.613 -7.518 . . . 1.0 . . . . . . . . . . . . A . 9 B3K CF . . . . . . . . . c30498_6e5j 1 . 7 . 2862 . 1 1 9 B3K CG C -0.462 -7.076 -3.967 . . . 1.0 . . . . . . . . . . . . A . 9 B3K CG . . . . . . . . . c30498_6e5j 1 . 7 . 2863 . 1 1 9 B3K H H 0.757 -5.129 -2.508 . . . 1.0 . . . . . . . . . . . . A . 9 B3K H . . . . . . . . . c30498_6e5j 1 . 7 . 2864 . 1 1 9 B3K HA1 H 0.263 -8.427 -2.129 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HA1 . . . . . . . . . c30498_6e5j 1 . 7 . 2865 . 1 1 9 B3K HA2 H 0.688 -7.103 -1.053 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HA2 . . . . . . . . . c30498_6e5j 1 . 7 . 2866 . 1 1 9 B3K HB H -1.838 -6.527 -2.343 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HB . . . . . . . . . c30498_6e5j 1 . 7 . 2867 . 1 1 9 B3K HD2 H -0.521 -5.138 -4.855 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HD2 . . . . . . . . . c30498_6e5j 1 . 7 . 2868 . 1 1 9 B3K HD3 H -2.013 -6.065 -5.025 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HD3 . . . . . . . . . c30498_6e5j 1 . 7 . 2869 . 1 1 9 B3K HE2 H -0.918 -7.550 -6.626 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HE2 . . . . . . . . . c30498_6e5j 1 . 7 . 2870 . 1 1 9 B3K HE3 H 0.585 -6.644 -6.445 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HE3 . . . . . . . . . c30498_6e5j 1 . 7 . 2871 . 1 1 9 B3K HF1 H -0.543 -5.949 -8.464 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HF1 . . . . . . . . . c30498_6e5j 1 . 7 . 2872 . 1 1 9 B3K HF2 H -0.551 -4.632 -7.293 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HF2 . . . . . . . . . c30498_6e5j 1 . 7 . 2873 . 1 1 9 B3K HG2 H -0.947 -8.028 -4.124 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HG2 . . . . . . . . . c30498_6e5j 1 . 7 . 2874 . 1 1 9 B3K HG3 H 0.605 -7.205 -4.075 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HG3 . . . . . . . . . c30498_6e5j 1 . 7 . 2875 . 1 1 9 B3K HNZ1 H -2.821 -6.483 -7.753 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HNZ1 . . . . . . . . . c30498_6e5j 1 . 7 . 2876 . 1 1 9 B3K HNZ2 H -2.697 -4.935 -8.419 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HNZ2 . . . . . . . . . c30498_6e5j 1 . 7 . 2877 . 1 1 9 B3K N N -0.205 -5.280 -2.342 . . . 1.0 . . . . . . . . . . . . A . 9 B3K N . . . . . . . . . c30498_6e5j 1 . 7 . 2878 . 1 1 9 B3K NZ N -2.421 -5.533 -7.616 . . . 1.0 . . . . . . . . . . . . A . 9 B3K NZ . . . . . . . . . c30498_6e5j 1 . 7 . 2879 . 1 1 9 B3K O O -1.969 -8.922 -0.826 . . . 1.0 . . . . . . . . . . . . A . 9 B3K O . . . . . . . . . c30498_6e5j 1 . 7 . 2880 . 1 1 10 ARG C C -3.103 -7.421 1.771 . . . 1.0 . . . . . . . . . . . . A . 10 ARG C . . . . . . . . . c30498_6e5j 1 . 7 . 2881 . 1 1 10 ARG CA C -1.725 -8.071 1.816 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CA . . . . . . . . . c30498_6e5j 1 . 7 . 2882 . 1 1 10 ARG CB C -1.028 -7.719 3.132 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CB . . . . . . . . . c30498_6e5j 1 . 7 . 2883 . 1 1 10 ARG CD C -1.492 -9.889 4.310 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CD . . . . . . . . . c30498_6e5j 1 . 7 . 2884 . 1 1 10 ARG CG C -1.653 -8.376 4.352 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CG . . . . . . . . . c30498_6e5j 1 . 7 . 2885 . 1 1 10 ARG CZ C 0.366 -11.372 3.631 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CZ . . . . . . . . . c30498_6e5j 1 . 7 . 2886 . 1 1 10 ARG H H -0.195 -6.980 0.854 . . . 1.0 . . . . . . . . . . . . A . 10 ARG H . . . . . . . . . c30498_6e5j 1 . 7 . 2887 . 1 1 10 ARG HA H -1.840 -9.140 1.752 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HA . . . . . . . . . c30498_6e5j 1 . 7 . 2888 . 1 1 10 ARG HB2 H 0.004 -8.028 3.073 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HB2 . . . . . . . . . c30498_6e5j 1 . 7 . 2889 . 1 1 10 ARG HB3 H -1.065 -6.647 3.268 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HB3 . . . . . . . . . c30498_6e5j 1 . 7 . 2890 . 1 1 10 ARG HD2 H -1.951 -10.310 5.192 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HD2 . . . . . . . . . c30498_6e5j 1 . 7 . 2891 . 1 1 10 ARG HD3 H -1.992 -10.267 3.431 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HD3 . . . . . . . . . c30498_6e5j 1 . 7 . 2892 . 1 1 10 ARG HE H 0.560 -9.719 4.752 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HE . . . . . . . . . c30498_6e5j 1 . 7 . 2893 . 1 1 10 ARG HG2 H -1.171 -7.995 5.239 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HG2 . . . . . . . . . c30498_6e5j 1 . 7 . 2894 . 1 1 10 ARG HG3 H -2.705 -8.133 4.378 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HG3 . . . . . . . . . c30498_6e5j 1 . 7 . 2895 . 1 1 10 ARG HH11 H -0.131 -12.973 2.490 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH11 . . . . . . . . . c30498_6e5j 1 . 7 . 2896 . 1 1 10 ARG HH12 H -1.452 -11.947 2.942 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH12 . . . . . . . . . c30498_6e5j 1 . 7 . 2897 . 1 1 10 ARG HH21 H 2.001 -12.480 3.175 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH21 . . . . . . . . . c30498_6e5j 1 . 7 . 2898 . 1 1 10 ARG HH22 H 2.306 -11.074 4.145 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH22 . . . . . . . . . c30498_6e5j 1 . 7 . 2899 . 1 1 10 ARG N N -0.910 -7.638 0.695 . . . 1.0 . . . . . . . . . . . . A . 10 ARG N . . . . . . . . . c30498_6e5j 1 . 7 . 2900 . 1 1 10 ARG NE N -0.085 -10.290 4.270 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NE . . . . . . . . . c30498_6e5j 1 . 7 . 2901 . 1 1 10 ARG NH1 N -0.473 -12.159 2.969 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NH1 . . . . . . . . . c30498_6e5j 1 . 7 . 2902 . 1 1 10 ARG NH2 N 1.660 -11.665 3.654 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NH2 . . . . . . . . . c30498_6e5j 1 . 7 . 2903 . 1 1 10 ARG O O -4.113 -8.059 2.068 . . . 1.0 . . . . . . . . . . . . A . 10 ARG O . . . . . . . . . c30498_6e5j 1 . 7 . 2904 . 1 1 11 TYR C C -5.092 -5.525 0.019 . . . 1.0 . . . . . . . . . . . . A . 11 TYR C . . . . . . . . . c30498_6e5j 1 . 7 . 2905 . 1 1 11 TYR CA C -4.384 -5.396 1.361 . . . 1.0 . . . . . . . . . . . . A . 11 TYR CA . . . . . . . . . c30498_6e5j 1 . 7 . 2906 . 1 1 11 TYR CB C -4.120 -3.921 1.660 . . . 1.0 . . . . . . . . . . . . A . 11 TYR CB . . . . . . . . . c30498_6e5j 1 . 7 . 2907 . 1 1 11 TYR CD1 C -4.579 -3.631 4.128 . . . 1.0 . . . . . . . . . . . . A . 11 TYR CD1 . . . . . . . . . c30498_6e5j 1 . 7 . 2908 . 1 1 11 TYR CD2 C -2.333 -3.410 3.369 . . . 1.0 . . . . . . . . . . . . A . 11 TYR CD2 . . . . . . . . . c30498_6e5j 1 . 7 . 2909 . 1 1 11 TYR CE1 C -4.170 -3.395 5.426 . . . 1.0 . . . . . . . . . . . . A . 11 TYR CE1 . . . . . . . . . c30498_6e5j 1 . 7 . 2910 . 1 1 11 TYR CE2 C -1.915 -3.171 4.664 . . . 1.0 . . . . . . . . . . . . A . 11 TYR CE2 . . . . . . . . . c30498_6e5j 1 . 7 . 2911 . 1 1 11 TYR CG C -3.672 -3.643 3.079 . . . 1.0 . . . . . . . . . . . . A . 11 TYR CG . . . . . . . . . c30498_6e5j 1 . 7 . 2912 . 1 1 11 TYR CZ C -2.858 -3.102 5.683 . . . 1.0 . . . . . . . . . . . . A . 11 TYR CZ . . . . . . . . . c30498_6e5j 1 . 7 . 2913 . 1 1 11 TYR H H -2.314 -5.718 1.083 . . . 1.0 . . . . . . . . . . . . A . 11 TYR H . . . . . . . . . c30498_6e5j 1 . 7 . 2914 . 1 1 11 TYR HA H -5.026 -5.797 2.130 . . . 1.0 . . . . . . . . . . . . A . 11 TYR HA . . . . . . . . . c30498_6e5j 1 . 7 . 2915 . 1 1 11 TYR HB2 H -3.349 -3.560 0.996 . . . 1.0 . . . . . . . . . . . . A . 11 TYR HB2 . . . . . . . . . c30498_6e5j 1 . 7 . 2916 . 1 1 11 TYR HB3 H -5.026 -3.361 1.484 . . . 1.0 . . . . . . . . . . . . A . 11 TYR HB3 . . . . . . . . . c30498_6e5j 1 . 7 . 2917 . 1 1 11 TYR HD1 H -5.626 -3.810 3.920 . . . 1.0 . . . . . . . . . . . . A . 11 TYR HD1 . . . . . . . . . c30498_6e5j 1 . 7 . 2918 . 1 1 11 TYR HD2 H -1.614 -3.413 2.564 . . . 1.0 . . . . . . . . . . . . A . 11 TYR HD2 . . . . . . . . . c30498_6e5j 1 . 7 . 2919 . 1 1 11 TYR HE1 H -4.895 -3.390 6.226 . . . 1.0 . . . . . . . . . . . . A . 11 TYR HE1 . . . . . . . . . c30498_6e5j 1 . 7 . 2920 . 1 1 11 TYR HE2 H -0.870 -2.991 4.868 . . . 1.0 . . . . . . . . . . . . A . 11 TYR HE2 . . . . . . . . . c30498_6e5j 1 . 7 . 2921 . 1 1 11 TYR HH H -2.819 -3.590 7.569 . . . 1.0 . . . . . . . . . . . . A . 11 TYR HH . . . . . . . . . c30498_6e5j 1 . 7 . 2922 . 1 1 11 TYR N N -3.141 -6.154 1.378 . . . 1.0 . . . . . . . . . . . . A . 11 TYR N . . . . . . . . . c30498_6e5j 1 . 7 . 2923 . 1 1 11 TYR O O -5.995 -4.744 -0.283 . . . 1.0 . . . . . . . . . . . . A . 11 TYR O . . . . . . . . . c30498_6e5j 1 . 7 . 2924 . 1 1 11 TYR OH O -2.425 -2.932 6.982 . . . 1.0 . . . . . . . . . . . . A . 11 TYR OH . . . . . . . . . c30498_6e5j 1 . 7 . 2925 . 1 1 12 ABA C C -6.801 -6.962 -1.907 . . . 1.0 . . . . . . . . . . . . A . 12 AIB C . . . . . . . . . c30498_6e5j 1 . 7 . 2926 . 1 1 12 ABA CA C -5.284 -6.791 -2.078 . . . 1.0 . . . . . . . . . . . . A . 12 AIB CA . . . . . . . . . c30498_6e5j 1 . 7 . 2927 . 1 1 12 ABA H H -3.945 -7.083 -0.462 . . . 1.0 . . . . . . . . . . . . A . 12 AIB H . . . . . . . . . c30498_6e5j 1 . 7 . 2928 . 1 1 12 ABA N N -4.679 -6.517 -0.769 . . . 1.0 . . . . . . . . . . . . A . 12 AIB N . . . . . . . . . c30498_6e5j 1 . 7 . 2929 . 1 1 12 ABA O O -7.263 -7.955 -1.338 . . . 1.0 . . . . . . . . . . . . A . 12 AIB O . . . . . . . . . c30498_6e5j 1 . 7 . 2930 . 1 1 13 GLY C C -9.495 -4.684 -1.669 . . . 1.0 . . . . . . . . . . . . A . 13 GLY C . . . . . . . . . c30498_6e5j 1 . 7 . 2931 . 1 1 13 GLY CA C -9.001 -6.007 -2.214 . . . 1.0 . . . . . . . . . . . . A . 13 GLY CA . . . . . . . . . c30498_6e5j 1 . 7 . 2932 . 1 1 13 GLY H H -7.143 -5.256 -2.880 . . . 1.0 . . . . . . . . . . . . A . 13 GLY H . . . . . . . . . c30498_6e5j 1 . 7 . 2933 . 1 1 13 GLY HA2 H -9.474 -6.197 -3.165 . . . 1.0 . . . . . . . . . . . . A . 13 GLY HA2 . . . . . . . . . c30498_6e5j 1 . 7 . 2934 . 1 1 13 GLY HA3 H -9.264 -6.792 -1.523 . . . 1.0 . . . . . . . . . . . . A . 13 GLY HA3 . . . . . . . . . c30498_6e5j 1 . 7 . 2935 . 1 1 13 GLY N N -7.564 -5.995 -2.391 . . . 1.0 . . . . . . . . . . . . A . 13 GLY N . . . . . . . . . c30498_6e5j 1 . 7 . 2936 . 1 1 13 GLY O O -10.600 -4.237 -1.979 . . . 1.0 . . . . . . . . . . . . A . 13 GLY O . . . . . . . . . c30498_6e5j 1 . 7 . 2937 . 1 1 14 CYS C C -8.522 -1.678 -1.313 . . . 1.0 . . . . . . . . . . . . A . 14 CYS C . . . . . . . . . c30498_6e5j 1 . 7 . 2938 . 1 1 14 CYS CA C -8.943 -2.743 -0.312 . . . 1.0 . . . . . . . . . . . . A . 14 CYS CA . . . . . . . . . c30498_6e5j 1 . 7 . 2939 . 1 1 14 CYS CB C -8.173 -2.555 0.998 . . . 1.0 . . . . . . . . . . . . A . 14 CYS CB . . . . . . . . . c30498_6e5j 1 . 7 . 2940 . 1 1 14 CYS H H -7.811 -4.492 -0.622 . . . 1.0 . . . . . . . . . . . . A . 14 CYS H . . . . . . . . . c30498_6e5j 1 . 7 . 2941 . 1 1 14 CYS HA H -10.004 -2.667 -0.126 . . . 1.0 . . . . . . . . . . . . A . 14 CYS HA . . . . . . . . . c30498_6e5j 1 . 7 . 2942 . 1 1 14 CYS HB2 H -7.115 -2.594 0.790 . . . 1.0 . . . . . . . . . . . . A . 14 CYS HB2 . . . . . . . . . c30498_6e5j 1 . 7 . 2943 . 1 1 14 CYS HB3 H -8.415 -1.587 1.414 . . . 1.0 . . . . . . . . . . . . A . 14 CYS HB3 . . . . . . . . . c30498_6e5j 1 . 7 . 2944 . 1 1 14 CYS N N -8.660 -4.057 -0.859 . . . 1.0 . . . . . . . . . . . . A . 14 CYS N . . . . . . . . . c30498_6e5j 1 . 7 . 2945 . 1 1 14 CYS O O -7.878 -1.986 -2.319 . . . 1.0 . . . . . . . . . . . . A . 14 CYS O . . . . . . . . . c30498_6e5j 1 . 7 . 2946 . 1 1 14 CYS SG S -8.533 -3.817 2.267 . . . 1.0 . . . . . . . . . . . . A . 14 CYS SG . . . . . . . . . c30498_6e5j 1 . 7 . 2947 . 1 1 15 GLU C C -7.008 1.035 -1.432 . . . 1.0 . . . . . . . . . . . . A . 15 GLU C . . . . . . . . . c30498_6e5j 1 . 7 . 2948 . 1 1 15 GLU CA C -8.417 0.673 -1.871 . . . 1.0 . . . . . . . . . . . . A . 15 GLU CA . . . . . . . . . c30498_6e5j 1 . 7 . 2949 . 1 1 15 GLU CB C -9.341 1.885 -1.739 . . . 1.0 . . . . . . . . . . . . A . 15 GLU CB . . . . . . . . . c30498_6e5j 1 . 7 . 2950 . 1 1 15 GLU CD C -10.561 1.656 -3.934 . . . 1.0 . . . . . . . . . . . . A . 15 GLU CD . . . . . . . . . c30498_6e5j 1 . 7 . 2951 . 1 1 15 GLU CG C -10.682 1.705 -2.425 . . . 1.0 . . . . . . . . . . . . A . 15 GLU CG . . . . . . . . . c30498_6e5j 1 . 7 . 2952 . 1 1 15 GLU H H -9.487 -0.249 -0.292 . . . 1.0 . . . . . . . . . . . . A . 15 GLU H . . . . . . . . . c30498_6e5j 1 . 7 . 2953 . 1 1 15 GLU HA H -8.397 0.346 -2.900 . . . 1.0 . . . . . . . . . . . . A . 15 GLU HA . . . . . . . . . c30498_6e5j 1 . 7 . 2954 . 1 1 15 GLU HB2 H -9.518 2.076 -0.689 . . . 1.0 . . . . . . . . . . . . A . 15 GLU HB2 . . . . . . . . . c30498_6e5j 1 . 7 . 2955 . 1 1 15 GLU HB3 H -8.850 2.744 -2.173 . . . 1.0 . . . . . . . . . . . . A . 15 GLU HB3 . . . . . . . . . c30498_6e5j 1 . 7 . 2956 . 1 1 15 GLU HG2 H -11.124 0.779 -2.085 . . . 1.0 . . . . . . . . . . . . A . 15 GLU HG2 . . . . . . . . . c30498_6e5j 1 . 7 . 2957 . 1 1 15 GLU HG3 H -11.323 2.529 -2.154 . . . 1.0 . . . . . . . . . . . . A . 15 GLU HG3 . . . . . . . . . c30498_6e5j 1 . 7 . 2958 . 1 1 15 GLU N N -8.894 -0.433 -1.057 . . . 1.0 . . . . . . . . . . . . A . 15 GLU N . . . . . . . . . c30498_6e5j 1 . 7 . 2959 . 1 1 15 GLU O O -6.810 1.461 -0.298 . . . 1.0 . . . . . . . . . . . . A . 15 GLU O . . . . . . . . . c30498_6e5j 1 . 7 . 2960 . 1 1 15 GLU OE1 O -10.523 2.731 -4.570 . . . 1.0 . . . . . . . . . . . . A . 15 GLU OE1 . . . . . . . . . c30498_6e5j 1 . 7 . 2961 . 1 1 15 GLU OE2 O -10.508 0.540 -4.493 . . . 1.0 . . . . . . . . . . . . A . 15 GLU OE2 . . . . . . . . . c30498_6e5j 1 . 7 . 2962 . 1 1 16 MVA C C -3.775 1.818 -2.919 . . . 1.0 . . . . . . . . . . . . A . 16 MVA C . . . . . . . . . c30498_6e5j 1 . 7 . 2963 . 1 1 16 MVA CA C -4.615 1.092 -1.867 . . . 1.0 . . . . . . . . . . . . A . 16 MVA CA . . . . . . . . . c30498_6e5j 1 . 7 . 2964 . 1 1 16 MVA CB C -3.920 -0.230 -1.421 . . . 1.0 . . . . . . . . . . . . A . 16 MVA CB . . . . . . . . . c30498_6e5j 1 . 7 . 2965 . 1 1 16 MVA CG1 C -3.886 -1.276 -2.527 . . . 1.0 . . . . . . . . . . . . A . 16 MVA CG1 . . . . . . . . . c30498_6e5j 1 . 7 . 2966 . 1 1 16 MVA CG2 C -2.512 0.058 -0.911 . . . 1.0 . . . . . . . . . . . . A . 16 MVA CG2 . . . . . . . . . c30498_6e5j 1 . 7 . 2967 . 1 1 16 MVA CN C -6.302 0.536 -3.714 . . . 1.0 . . . . . . . . . . . . A . 16 MVA CN . . . . . . . . . c30498_6e5j 1 . 7 . 2968 . 1 1 16 MVA HA H -4.632 1.733 -0.995 . . . 1.0 . . . . . . . . . . . . A . 16 MVA HA . . . . . . . . . c30498_6e5j 1 . 7 . 2969 . 1 1 16 MVA HB H -4.487 -0.642 -0.600 . . . 1.0 . . . . . . . . . . . . A . 16 MVA HB . . . . . . . . . c30498_6e5j 1 . 7 . 2970 . 1 1 16 MVA HG11 H -4.896 -1.519 -2.823 . . . 1.0 . . . . . . . . . . . . A . 16 MVA HG11 . . . . . . . . . c30498_6e5j 1 . 7 . 2971 . 1 1 16 MVA HG12 H -3.392 -2.166 -2.164 . . . 1.0 . . . . . . . . . . . . A . 16 MVA HG12 . . . . . . . . . c30498_6e5j 1 . 7 . 2972 . 1 1 16 MVA HG13 H -3.347 -0.884 -3.375 . . . 1.0 . . . . . . . . . . . . A . 16 MVA HG13 . . . . . . . . . c30498_6e5j 1 . 7 . 2973 . 1 1 16 MVA HG21 H -2.081 -0.847 -0.510 . . . 1.0 . . . . . . . . . . . . A . 16 MVA HG21 . . . . . . . . . c30498_6e5j 1 . 7 . 2974 . 1 1 16 MVA HG22 H -2.555 0.810 -0.136 . . . 1.0 . . . . . . . . . . . . A . 16 MVA HG22 . . . . . . . . . c30498_6e5j 1 . 7 . 2975 . 1 1 16 MVA HG23 H -1.901 0.418 -1.726 . . . 1.0 . . . . . . . . . . . . A . 16 MVA HG23 . . . . . . . . . c30498_6e5j 1 . 7 . 2976 . 1 1 16 MVA HN1 H -5.390 0.567 -4.292 . . . 1.0 . . . . . . . . . . . . A . 16 MVA HN1 . . . . . . . . . c30498_6e5j 1 . 7 . 2977 . 1 1 16 MVA HN2 H -7.008 1.250 -4.114 . . . 1.0 . . . . . . . . . . . . A . 16 MVA HN2 . . . . . . . . . c30498_6e5j 1 . 7 . 2978 . 1 1 16 MVA HN3 H -6.724 -0.456 -3.766 . . . 1.0 . . . . . . . . . . . . A . 16 MVA HN3 . . . . . . . . . c30498_6e5j 1 . 7 . 2979 . 1 1 16 MVA N N -6.004 0.874 -2.303 . . . 1.0 . . . . . . . . . . . . A . 16 MVA N . . . . . . . . . c30498_6e5j 1 . 7 . 2980 . 1 1 16 MVA O O -3.401 1.271 -3.960 . . . 1.0 . . . . . . . . . . . . A . 16 MVA O . . . . . . . . . c30498_6e5j 1 . 7 . 2981 . 1 1 17 ARG C C -1.303 4.060 -2.944 . . . 1.0 . . . . . . . . . . . . A . 17 ARG C . . . . . . . . . c30498_6e5j 1 . 7 . 2982 . 1 1 17 ARG CA C -2.719 3.930 -3.488 . . . 1.0 . . . . . . . . . . . . A . 17 ARG CA . . . . . . . . . c30498_6e5j 1 . 7 . 2983 . 1 1 17 ARG CB C -3.381 5.303 -3.589 . . . 1.0 . . . . . . . . . . . . A . 17 ARG CB . . . . . . . . . c30498_6e5j 1 . 7 . 2984 . 1 1 17 ARG CD C -5.497 6.609 -4.002 . . . 1.0 . . . . . . . . . . . . A . 17 ARG CD . . . . . . . . . c30498_6e5j 1 . 7 . 2985 . 1 1 17 ARG CG C -4.816 5.251 -4.099 . . . 1.0 . . . . . . . . . . . . A . 17 ARG CG . . . . . . . . . c30498_6e5j 1 . 7 . 2986 . 1 1 17 ARG CZ C -4.902 8.945 -4.520 . . . 1.0 . . . . . . . . . . . . A . 17 ARG CZ . . . . . . . . . c30498_6e5j 1 . 7 . 2987 . 1 1 17 ARG H H -3.795 3.426 -1.753 . . . 1.0 . . . . . . . . . . . . A . 17 ARG H . . . . . . . . . c30498_6e5j 1 . 7 . 2988 . 1 1 17 ARG HA H -2.682 3.475 -4.465 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HA . . . . . . . . . c30498_6e5j 1 . 7 . 2989 . 1 1 17 ARG HB2 H -3.384 5.760 -2.611 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HB2 . . . . . . . . . c30498_6e5j 1 . 7 . 2990 . 1 1 17 ARG HB3 H -2.805 5.919 -4.262 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HB3 . . . . . . . . . c30498_6e5j 1 . 7 . 2991 . 1 1 17 ARG HD2 H -6.503 6.522 -4.386 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HD2 . . . . . . . . . c30498_6e5j 1 . 7 . 2992 . 1 1 17 ARG HD3 H -5.536 6.904 -2.963 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HD3 . . . . . . . . . c30498_6e5j 1 . 7 . 2993 . 1 1 17 ARG HE H -4.198 7.340 -5.487 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HE . . . . . . . . . c30498_6e5j 1 . 7 . 2994 . 1 1 17 ARG HG2 H -4.809 4.935 -5.132 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HG2 . . . . . . . . . c30498_6e5j 1 . 7 . 2995 . 1 1 17 ARG HG3 H -5.372 4.537 -3.509 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HG3 . . . . . . . . . c30498_6e5j 1 . 7 . 2996 . 1 1 17 ARG HH11 H -6.218 8.729 -2.992 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HH11 . . . . . . . . . c30498_6e5j 1 . 7 . 2997 . 1 1 17 ARG HH12 H -5.778 10.366 -3.367 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HH12 . . . . . . . . . c30498_6e5j 1 . 7 . 2998 . 1 1 17 ARG HH21 H -4.305 10.801 -5.077 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HH21 . . . . . . . . . c30498_6e5j 1 . 7 . 2999 . 1 1 17 ARG HH22 H -3.627 9.494 -5.995 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HH22 . . . . . . . . . c30498_6e5j 1 . 7 . 3000 . 1 1 17 ARG N N -3.491 3.072 -2.618 . . . 1.0 . . . . . . . . . . . . A . 17 ARG N . . . . . . . . . c30498_6e5j 1 . 7 . 3001 . 1 1 17 ARG NE N -4.790 7.640 -4.758 . . . 1.0 . . . . . . . . . . . . A . 17 ARG NE . . . . . . . . . c30498_6e5j 1 . 7 . 3002 . 1 1 17 ARG NH1 N -5.697 9.380 -3.550 . . . 1.0 . . . . . . . . . . . . A . 17 ARG NH1 . . . . . . . . . c30498_6e5j 1 . 7 . 3003 . 1 1 17 ARG NH2 N -4.224 9.815 -5.255 . . . 1.0 . . . . . . . . . . . . A . 17 ARG NH2 . . . . . . . . . c30498_6e5j 1 . 7 . 3004 . 1 1 17 ARG O O -1.057 4.775 -1.967 . . . 1.0 . . . . . . . . . . . . A . 17 ARG O . . . . . . . . . c30498_6e5j 1 . 7 . 3005 . 1 1 18 CYS C C 1.873 4.211 -3.974 . . . 1.0 . . . . . . . . . . . . A . 18 CYS C . . . . . . . . . c30498_6e5j 1 . 7 . 3006 . 1 1 18 CYS CA C 0.991 3.316 -3.111 . . . 1.0 . . . . . . . . . . . . A . 18 CYS CA . . . . . . . . . c30498_6e5j 1 . 7 . 3007 . 1 1 18 CYS CB C 1.508 1.877 -3.142 . . . 1.0 . . . . . . . . . . . . A . 18 CYS CB . . . . . . . . . c30498_6e5j 1 . 7 . 3008 . 1 1 18 CYS H H -0.640 2.839 -4.362 . . . 1.0 . . . . . . . . . . . . A . 18 CYS H . . . . . . . . . c30498_6e5j 1 . 7 . 3009 . 1 1 18 CYS HA H 1.015 3.675 -2.093 . . . 1.0 . . . . . . . . . . . . A . 18 CYS HA . . . . . . . . . c30498_6e5j 1 . 7 . 3010 . 1 1 18 CYS HB2 H 0.887 1.271 -2.500 . . . 1.0 . . . . . . . . . . . . A . 18 CYS HB2 . . . . . . . . . c30498_6e5j 1 . 7 . 3011 . 1 1 18 CYS HB3 H 1.442 1.507 -4.152 . . . 1.0 . . . . . . . . . . . . A . 18 CYS HB3 . . . . . . . . . c30498_6e5j 1 . 7 . 3012 . 1 1 18 CYS N N -0.386 3.352 -3.565 . . . 1.0 . . . . . . . . . . . . A . 18 CYS N . . . . . . . . . c30498_6e5j 1 . 7 . 3013 . 1 1 18 CYS O O 1.761 4.217 -5.203 . . . 1.0 . . . . . . . . . . . . A . 18 CYS O . . . . . . . . . c30498_6e5j 1 . 7 . 3014 . 1 1 18 CYS SG S 3.234 1.676 -2.591 . . . 1.0 . . . . . . . . . . . . A . 18 CYS SG . . . . . . . . . c30498_6e5j 1 . 7 . 3015 . 1 1 19 ASP C C 4.988 5.845 -3.180 . . . 1.0 . . . . . . . . . . . . A . 19 ASP C . . . . . . . . . c30498_6e5j 1 . 7 . 3016 . 1 1 19 ASP CA C 3.715 5.795 -4.005 . . . 1.0 . . . . . . . . . . . . A . 19 ASP CA . . . . . . . . . c30498_6e5j 1 . 7 . 3017 . 1 1 19 ASP CB C 3.206 7.216 -4.246 . . . 1.0 . . . . . . . . . . . . A . 19 ASP CB . . . . . . . . . c30498_6e5j 1 . 7 . 3018 . 1 1 19 ASP CG C 4.223 8.060 -4.993 . . . 1.0 . . . . . . . . . . . . A . 19 ASP CG . . . . . . . . . c30498_6e5j 1 . 7 . 3019 . 1 1 19 ASP H H 2.705 4.983 -2.339 . . . 1.0 . . . . . . . . . . . . A . 19 ASP H . . . . . . . . . c30498_6e5j 1 . 7 . 3020 . 1 1 19 ASP HA H 3.931 5.329 -4.955 . . . 1.0 . . . . . . . . . . . . A . 19 ASP HA . . . . . . . . . c30498_6e5j 1 . 7 . 3021 . 1 1 19 ASP HB2 H 2.298 7.175 -4.825 . . . 1.0 . . . . . . . . . . . . A . 19 ASP HB2 . . . . . . . . . c30498_6e5j 1 . 7 . 3022 . 1 1 19 ASP HB3 H 3.004 7.685 -3.295 . . . 1.0 . . . . . . . . . . . . A . 19 ASP HB3 . . . . . . . . . c30498_6e5j 1 . 7 . 3023 . 1 1 19 ASP N N 2.729 4.977 -3.321 . . . 1.0 . . . . . . . . . . . . A . 19 ASP N . . . . . . . . . c30498_6e5j 1 . 7 . 3024 . 1 1 19 ASP O O 5.096 6.641 -2.243 . . . 1.0 . . . . . . . . . . . . A . 19 ASP O . . . . . . . . . c30498_6e5j 1 . 7 . 3025 . 1 1 19 ASP OD1 O 4.816 8.975 -4.384 . . . 1.0 . . . . . . . . . . . . A . 19 ASP OD1 . . . . . . . . . c30498_6e5j 1 . 7 . 3026 . 1 1 19 ASP OD2 O 4.455 7.796 -6.193 . . . 1.0 . . . . . . . . . . . . A . 19 ASP OD2 . . . . . . . . . c30498_6e5j 1 . 7 . 3027 . 1 1 20 DPR C C 7.018 4.664 -1.283 . . . 1.0 . . . . . . . . . . . . A . 20 DPR C . . . . . . . . . c30498_6e5j 1 . 7 . 3028 . 1 1 20 DPR CA C 7.228 4.912 -2.776 . . . 1.0 . . . . . . . . . . . . A . 20 DPR CA . . . . . . . . . c30498_6e5j 1 . 7 . 3029 . 1 1 20 DPR CB C 7.961 3.734 -3.418 . . . 1.0 . . . . . . . . . . . . A . 20 DPR CB . . . . . . . . . c30498_6e5j 1 . 7 . 3030 . 1 1 20 DPR CD C 5.895 3.993 -4.591 . . . 1.0 . . . . . . . . . . . . A . 20 DPR CD . . . . . . . . . c30498_6e5j 1 . 7 . 3031 . 1 1 20 DPR CG C 7.325 3.560 -4.752 . . . 1.0 . . . . . . . . . . . . A . 20 DPR CG . . . . . . . . . c30498_6e5j 1 . 7 . 3032 . 1 1 20 DPR HA H 7.809 5.809 -2.913 . . . 1.0 . . . . . . . . . . . . A . 20 DPR HA . . . . . . . . . c30498_6e5j 1 . 7 . 3033 . 1 1 20 DPR HB2 H 7.838 2.855 -2.805 . . . 1.0 . . . . . . . . . . . . A . 20 DPR HB2 . . . . . . . . . c30498_6e5j 1 . 7 . 3034 . 1 1 20 DPR HB3 H 9.011 3.970 -3.509 . . . 1.0 . . . . . . . . . . . . A . 20 DPR HB3 . . . . . . . . . c30498_6e5j 1 . 7 . 3035 . 1 1 20 DPR HD2 H 5.274 3.154 -4.315 . . . 1.0 . . . . . . . . . . . . A . 20 DPR HD2 . . . . . . . . . c30498_6e5j 1 . 7 . 3036 . 1 1 20 DPR HD3 H 5.538 4.447 -5.502 . . . 1.0 . . . . . . . . . . . . A . 20 DPR HD3 . . . . . . . . . c30498_6e5j 1 . 7 . 3037 . 1 1 20 DPR HG2 H 7.371 2.523 -5.046 . . . 1.0 . . . . . . . . . . . . A . 20 DPR HG2 . . . . . . . . . c30498_6e5j 1 . 7 . 3038 . 1 1 20 DPR HG3 H 7.825 4.180 -5.481 . . . 1.0 . . . . . . . . . . . . A . 20 DPR HG3 . . . . . . . . . c30498_6e5j 1 . 7 . 3039 . 1 1 20 DPR N N 5.960 4.981 -3.501 . . . 1.0 . . . . . . . . . . . . A . 20 DPR N . . . . . . . . . c30498_6e5j 1 . 7 . 3040 . 1 1 20 DPR O O 6.553 3.599 -0.882 . . . 1.0 . . . . . . . . . . . . A . 20 DPR O . . . . . . . . . c30498_6e5j 1 . 7 . 3041 . 1 1 21 PRO C C 5.773 5.729 1.493 . . . 1.0 . . . . . . . . . . . . A . 21 PRO C . . . . . . . . . c30498_6e5j 1 . 7 . 3042 . 1 1 21 PRO CA C 7.213 5.551 1.007 . . . 1.0 . . . . . . . . . . . . A . 21 PRO CA . . . . . . . . . c30498_6e5j 1 . 7 . 3043 . 1 1 21 PRO CB C 8.088 6.696 1.516 . . . 1.0 . . . . . . . . . . . . A . 21 PRO CB . . . . . . . . . c30498_6e5j 1 . 7 . 3044 . 1 1 21 PRO CD C 7.921 6.955 -0.854 . . . 1.0 . . . . . . . . . . . . A . 21 PRO CD . . . . . . . . . c30498_6e5j 1 . 7 . 3045 . 1 1 21 PRO CG C 8.021 7.720 0.437 . . . 1.0 . . . . . . . . . . . . A . 21 PRO CG . . . . . . . . . c30498_6e5j 1 . 7 . 3046 . 1 1 21 PRO HA H 7.600 4.613 1.371 . . . 1.0 . . . . . . . . . . . . A . 21 PRO HA . . . . . . . . . c30498_6e5j 1 . 7 . 3047 . 1 1 21 PRO HB2 H 7.689 7.072 2.448 . . . 1.0 . . . . . . . . . . . . A . 21 PRO HB2 . . . . . . . . . c30498_6e5j 1 . 7 . 3048 . 1 1 21 PRO HB3 H 9.098 6.345 1.663 . . . 1.0 . . . . . . . . . . . . A . 21 PRO HB3 . . . . . . . . . c30498_6e5j 1 . 7 . 3049 . 1 1 21 PRO HD2 H 7.266 7.462 -1.544 . . . 1.0 . . . . . . . . . . . . A . 21 PRO HD2 . . . . . . . . . c30498_6e5j 1 . 7 . 3050 . 1 1 21 PRO HD3 H 8.898 6.824 -1.289 . . . 1.0 . . . . . . . . . . . . A . 21 PRO HD3 . . . . . . . . . c30498_6e5j 1 . 7 . 3051 . 1 1 21 PRO HG2 H 7.146 8.339 0.574 . . . 1.0 . . . . . . . . . . . . A . 21 PRO HG2 . . . . . . . . . c30498_6e5j 1 . 7 . 3052 . 1 1 21 PRO HG3 H 8.914 8.325 0.447 . . . 1.0 . . . . . . . . . . . . A . 21 PRO HG3 . . . . . . . . . c30498_6e5j 1 . 7 . 3053 . 1 1 21 PRO N N 7.352 5.656 -0.447 . . . 1.0 . . . . . . . . . . . . A . 21 PRO N . . . . . . . . . c30498_6e5j 1 . 7 . 3054 . 1 1 21 PRO O O 5.502 5.610 2.687 . . . 1.0 . . . . . . . . . . . . A . 21 PRO O . . . . . . . . . c30498_6e5j 1 . 7 . 3055 . 1 1 22 ARG C C 2.606 5.037 0.572 . . . 1.0 . . . . . . . . . . . . A . 22 ARG C . . . . . . . . . c30498_6e5j 1 . 7 . 3056 . 1 1 22 ARG CA C 3.462 6.227 0.959 . . . 1.0 . . . . . . . . . . . . A . 22 ARG CA . . . . . . . . . c30498_6e5j 1 . 7 . 3057 . 1 1 22 ARG CB C 2.901 7.502 0.328 . . . 1.0 . . . . . . . . . . . . A . 22 ARG CB . . . . . . . . . c30498_6e5j 1 . 7 . 3058 . 1 1 22 ARG CD C 3.312 8.892 2.388 . . . 1.0 . . . . . . . . . . . . A . 22 ARG CD . . . . . . . . . c30498_6e5j 1 . 7 . 3059 . 1 1 22 ARG CG C 3.513 8.776 0.882 . . . 1.0 . . . . . . . . . . . . A . 22 ARG CG . . . . . . . . . c30498_6e5j 1 . 7 . 3060 . 1 1 22 ARG CZ C 1.396 9.445 3.851 . . . 1.0 . . . . . . . . . . . . A . 22 ARG CZ . . . . . . . . . c30498_6e5j 1 . 7 . 3061 . 1 1 22 ARG H H 5.114 6.086 -0.366 . . . 1.0 . . . . . . . . . . . . A . 22 ARG H . . . . . . . . . c30498_6e5j 1 . 7 . 3062 . 1 1 22 ARG HA H 3.431 6.331 2.033 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HA . . . . . . . . . c30498_6e5j 1 . 7 . 3063 . 1 1 22 ARG HB2 H 3.085 7.472 -0.736 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HB2 . . . . . . . . . c30498_6e5j 1 . 7 . 3064 . 1 1 22 ARG HB3 H 1.836 7.534 0.499 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HB3 . . . . . . . . . c30498_6e5j 1 . 7 . 3065 . 1 1 22 ARG HD2 H 3.824 8.074 2.871 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HD2 . . . . . . . . . c30498_6e5j 1 . 7 . 3066 . 1 1 22 ARG HD3 H 3.738 9.825 2.721 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HD3 . . . . . . . . . c30498_6e5j 1 . 7 . 3067 . 1 1 22 ARG HE H 1.282 8.345 2.185 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HE . . . . . . . . . c30498_6e5j 1 . 7 . 3068 . 1 1 22 ARG HG2 H 4.573 8.774 0.672 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HG2 . . . . . . . . . c30498_6e5j 1 . 7 . 3069 . 1 1 22 ARG HG3 H 3.050 9.624 0.398 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HG3 . . . . . . . . . c30498_6e5j 1 . 7 . 3070 . 1 1 22 ARG HH11 H 1.794 10.593 5.472 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HH11 . . . . . . . . . c30498_6e5j 1 . 7 . 3071 . 1 1 22 ARG HH12 H 3.153 10.259 4.450 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HH12 . . . . . . . . . c30498_6e5j 1 . 7 . 3072 . 1 1 22 ARG HH21 H -0.283 9.764 4.939 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HH21 . . . . . . . . . c30498_6e5j 1 . 7 . 3073 . 1 1 22 ARG HH22 H -0.489 8.782 3.516 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HH22 . . . . . . . . . c30498_6e5j 1 . 7 . 3074 . 1 1 22 ARG N N 4.855 6.021 0.581 . . . 1.0 . . . . . . . . . . . . A . 22 ARG N . . . . . . . . . c30498_6e5j 1 . 7 . 3075 . 1 1 22 ARG NE N 1.897 8.856 2.767 . . . 1.0 . . . . . . . . . . . . A . 22 ARG NE . . . . . . . . . c30498_6e5j 1 . 7 . 3076 . 1 1 22 ARG NH1 N 2.179 10.155 4.656 . . . 1.0 . . . . . . . . . . . . A . 22 ARG NH1 . . . . . . . . . c30498_6e5j 1 . 7 . 3077 . 1 1 22 ARG NH2 N 0.107 9.323 4.126 . . . 1.0 . . . . . . . . . . . . A . 22 ARG NH2 . . . . . . . . . c30498_6e5j 1 . 7 . 3078 . 1 1 22 ARG O O 2.693 4.528 -0.545 . . . 1.0 . . . . . . . . . . . . A . 22 ARG O . . . . . . . . . c30498_6e5j 1 . 7 . 3079 . 1 1 23 TYR C C -0.495 3.805 1.777 . . . 1.0 . . . . . . . . . . . . A . 23 TYR C . . . . . . . . . c30498_6e5j 1 . 7 . 3080 . 1 1 23 TYR CA C 0.909 3.459 1.308 . . . 1.0 . . . . . . . . . . . . A . 23 TYR CA . . . . . . . . . c30498_6e5j 1 . 7 . 3081 . 1 1 23 TYR CB C 1.420 2.256 2.099 . . . 1.0 . . . . . . . . . . . . A . 23 TYR CB . . . . . . . . . c30498_6e5j 1 . 7 . 3082 . 1 1 23 TYR CD1 C 3.724 2.539 3.083 . . . 1.0 . . . . . . . . . . . . A . 23 TYR CD1 . . . . . . . . . c30498_6e5j 1 . 7 . 3083 . 1 1 23 TYR CD2 C 3.528 1.462 0.968 . . . 1.0 . . . . . . . . . . . . A . 23 TYR CD2 . . . . . . . . . c30498_6e5j 1 . 7 . 3084 . 1 1 23 TYR CE1 C 5.093 2.388 3.037 . . . 1.0 . . . . . . . . . . . . A . 23 TYR CE1 . . . . . . . . . c30498_6e5j 1 . 7 . 3085 . 1 1 23 TYR CE2 C 4.897 1.303 0.915 . . . 1.0 . . . . . . . . . . . . A . 23 TYR CE2 . . . . . . . . . c30498_6e5j 1 . 7 . 3086 . 1 1 23 TYR CG C 2.919 2.082 2.052 . . . 1.0 . . . . . . . . . . . . A . 23 TYR CG . . . . . . . . . c30498_6e5j 1 . 7 . 3087 . 1 1 23 TYR CZ C 5.676 1.756 1.982 . . . 1.0 . . . . . . . . . . . . A . 23 TYR CZ . . . . . . . . . c30498_6e5j 1 . 7 . 3088 . 1 1 23 TYR H H 1.750 5.074 2.369 . . . 1.0 . . . . . . . . . . . . A . 23 TYR H . . . . . . . . . c30498_6e5j 1 . 7 . 3089 . 1 1 23 TYR HA H 0.890 3.220 0.255 . . . 1.0 . . . . . . . . . . . . A . 23 TYR HA . . . . . . . . . c30498_6e5j 1 . 7 . 3090 . 1 1 23 TYR HB2 H 1.134 2.369 3.134 . . . 1.0 . . . . . . . . . . . . A . 23 TYR HB2 . . . . . . . . . c30498_6e5j 1 . 7 . 3091 . 1 1 23 TYR HB3 H 0.967 1.358 1.703 . . . 1.0 . . . . . . . . . . . . A . 23 TYR HB3 . . . . . . . . . c30498_6e5j 1 . 7 . 3092 . 1 1 23 TYR HD1 H 3.263 3.021 3.932 . . . 1.0 . . . . . . . . . . . . A . 23 TYR HD1 . . . . . . . . . c30498_6e5j 1 . 7 . 3093 . 1 1 23 TYR HD2 H 2.914 1.097 0.157 . . . 1.0 . . . . . . . . . . . . A . 23 TYR HD2 . . . . . . . . . c30498_6e5j 1 . 7 . 3094 . 1 1 23 TYR HE1 H 5.702 2.750 3.848 . . . 1.0 . . . . . . . . . . . . A . 23 TYR HE1 . . . . . . . . . c30498_6e5j 1 . 7 . 3095 . 1 1 23 TYR HE2 H 5.349 0.819 0.065 . . . 1.0 . . . . . . . . . . . . A . 23 TYR HE2 . . . . . . . . . c30498_6e5j 1 . 7 . 3096 . 1 1 23 TYR HH H 7.351 1.821 1.004 . . . 1.0 . . . . . . . . . . . . A . 23 TYR HH . . . . . . . . . c30498_6e5j 1 . 7 . 3097 . 1 1 23 TYR N N 1.779 4.603 1.509 . . . 1.0 . . . . . . . . . . . . A . 23 TYR N . . . . . . . . . c30498_6e5j 1 . 7 . 3098 . 1 1 23 TYR O O -0.882 3.474 2.900 . . . 1.0 . . . . . . . . . . . . A . 23 TYR O . . . . . . . . . c30498_6e5j 1 . 7 . 3099 . 1 1 23 TYR OH O 7.044 1.617 1.897 . . . 1.0 . . . . . . . . . . . . A . 23 TYR OH . . . . . . . . . c30498_6e5j 1 . 7 . 3100 . 1 1 24 GLU C C -3.555 3.747 1.167 . . . 1.0 . . . . . . . . . . . . A . 24 GLU C . . . . . . . . . c30498_6e5j 1 . 7 . 3101 . 1 1 24 GLU CA C -2.587 4.914 1.306 . . . 1.0 . . . . . . . . . . . . A . 24 GLU CA . . . . . . . . . c30498_6e5j 1 . 7 . 3102 . 1 1 24 GLU CB C -3.041 6.089 0.438 . . . 1.0 . . . . . . . . . . . . A . 24 GLU CB . . . . . . . . . c30498_6e5j 1 . 7 . 3103 . 1 1 24 GLU CD C -1.657 7.677 1.843 . . . 1.0 . . . . . . . . . . . . A . 24 GLU CD . . . . . . . . . c30498_6e5j 1 . 7 . 3104 . 1 1 24 GLU CG C -2.074 7.265 0.444 . . . 1.0 . . . . . . . . . . . . A . 24 GLU CG . . . . . . . . . c30498_6e5j 1 . 7 . 3105 . 1 1 24 GLU H H -0.919 4.672 0.027 . . . 1.0 . . . . . . . . . . . . A . 24 GLU H . . . . . . . . . c30498_6e5j 1 . 7 . 3106 . 1 1 24 GLU HA H -2.557 5.226 2.339 . . . 1.0 . . . . . . . . . . . . A . 24 GLU HA . . . . . . . . . c30498_6e5j 1 . 7 . 3107 . 1 1 24 GLU HB2 H -3.148 5.746 -0.579 . . . 1.0 . . . . . . . . . . . . A . 24 GLU HB2 . . . . . . . . . c30498_6e5j 1 . 7 . 3108 . 1 1 24 GLU HB3 H -3.998 6.436 0.792 . . . 1.0 . . . . . . . . . . . . A . 24 GLU HB3 . . . . . . . . . c30498_6e5j 1 . 7 . 3109 . 1 1 24 GLU HG2 H -1.189 6.991 -0.111 . . . 1.0 . . . . . . . . . . . . A . 24 GLU HG2 . . . . . . . . . c30498_6e5j 1 . 7 . 3110 . 1 1 24 GLU HG3 H -2.551 8.106 -0.036 . . . 1.0 . . . . . . . . . . . . A . 24 GLU HG3 . . . . . . . . . c30498_6e5j 1 . 7 . 3111 . 1 1 24 GLU N N -1.253 4.481 0.931 . . . 1.0 . . . . . . . . . . . . A . 24 GLU N . . . . . . . . . c30498_6e5j 1 . 7 . 3112 . 1 1 24 GLU O O -3.717 3.211 0.080 . . . 1.0 . . . . . . . . . . . . A . 24 GLU O . . . . . . . . . c30498_6e5j 1 . 7 . 3113 . 1 1 24 GLU OE1 O -2.495 8.231 2.584 . . . 1.0 . . . . . . . . . . . . A . 24 GLU OE1 . . . . . . . . . c30498_6e5j 1 . 7 . 3114 . 1 1 24 GLU OE2 O -0.486 7.456 2.209 . . . 1.0 . . . . . . . . . . . . A . 24 GLU OE2 . . . . . . . . . c30498_6e5j 1 . 7 . 3115 . 1 1 25 MVA C C -6.332 2.184 3.013 . . . 1.0 . . . . . . . . . . . . A . 25 MVA C . . . . . . . . . c30498_6e5j 1 . 7 . 3116 . 1 1 25 MVA CA C -5.041 2.106 2.188 . . . 1.0 . . . . . . . . . . . . A . 25 MVA CA . . . . . . . . . c30498_6e5j 1 . 7 . 3117 . 1 1 25 MVA CB C -4.229 0.843 2.592 . . . 1.0 . . . . . . . . . . . . A . 25 MVA CB . . . . . . . . . c30498_6e5j 1 . 7 . 3118 . 1 1 25 MVA CG1 C -3.665 0.938 4.003 . . . 1.0 . . . . . . . . . . . . A . 25 MVA CG1 . . . . . . . . . c30498_6e5j 1 . 7 . 3119 . 1 1 25 MVA CG2 C -5.086 -0.404 2.444 . . . 1.0 . . . . . . . . . . . . A . 25 MVA CG2 . . . . . . . . . c30498_6e5j 1 . 7 . 3120 . 1 1 25 MVA CN C -4.162 4.140 3.490 . . . 1.0 . . . . . . . . . . . . A . 25 MVA CN . . . . . . . . . c30498_6e5j 1 . 7 . 3121 . 1 1 25 MVA HA H -5.345 1.955 1.161 . . . 1.0 . . . . . . . . . . . . A . 25 MVA HA . . . . . . . . . c30498_6e5j 1 . 7 . 3122 . 1 1 25 MVA HB H -3.396 0.751 1.911 . . . 1.0 . . . . . . . . . . . . A . 25 MVA HB . . . . . . . . . c30498_6e5j 1 . 7 . 3123 . 1 1 25 MVA HG11 H -3.134 0.028 4.240 . . . 1.0 . . . . . . . . . . . . A . 25 MVA HG11 . . . . . . . . . c30498_6e5j 1 . 7 . 3124 . 1 1 25 MVA HG12 H -4.474 1.076 4.705 . . . 1.0 . . . . . . . . . . . . A . 25 MVA HG12 . . . . . . . . . c30498_6e5j 1 . 7 . 3125 . 1 1 25 MVA HG13 H -2.988 1.776 4.063 . . . 1.0 . . . . . . . . . . . . A . 25 MVA HG13 . . . . . . . . . c30498_6e5j 1 . 7 . 3126 . 1 1 25 MVA HG21 H -5.405 -0.503 1.417 . . . 1.0 . . . . . . . . . . . . A . 25 MVA HG21 . . . . . . . . . c30498_6e5j 1 . 7 . 3127 . 1 1 25 MVA HG22 H -5.953 -0.324 3.084 . . . 1.0 . . . . . . . . . . . . A . 25 MVA HG22 . . . . . . . . . c30498_6e5j 1 . 7 . 3128 . 1 1 25 MVA HG23 H -4.510 -1.273 2.728 . . . 1.0 . . . . . . . . . . . . A . 25 MVA HG23 . . . . . . . . . c30498_6e5j 1 . 7 . 3129 . 1 1 25 MVA HN1 H -3.171 4.084 3.913 . . . 1.0 . . . . . . . . . . . . A . 25 MVA HN1 . . . . . . . . . c30498_6e5j 1 . 7 . 3130 . 1 1 25 MVA HN2 H -4.879 3.756 4.203 . . . 1.0 . . . . . . . . . . . . A . 25 MVA HN2 . . . . . . . . . c30498_6e5j 1 . 7 . 3131 . 1 1 25 MVA HN3 H -4.397 5.168 3.262 . . . 1.0 . . . . . . . . . . . . A . 25 MVA HN3 . . . . . . . . . c30498_6e5j 1 . 7 . 3132 . 1 1 25 MVA N N -4.222 3.333 2.253 . . . 1.0 . . . . . . . . . . . . A . 25 MVA N . . . . . . . . . c30498_6e5j 1 . 7 . 3133 . 1 1 25 MVA O O -6.328 2.364 4.234 . . . 1.0 . . . . . . . . . . . . A . 25 MVA O . . . . . . . . . c30498_6e5j 1 . 7 . 3134 . 1 1 26 HIS C C -9.550 0.839 2.593 . . . 1.0 . . . . . . . . . . . . A . 26 HIS C . . . . . . . . . c30498_6e5j 1 . 7 . 3135 . 1 1 26 HIS CA C -8.758 2.098 2.923 . . . 1.0 . . . . . . . . . . . . A . 26 HIS CA . . . . . . . . . c30498_6e5j 1 . 7 . 3136 . 1 1 26 HIS CB C -9.512 3.335 2.427 . . . 1.0 . . . . . . . . . . . . A . 26 HIS CB . . . . . . . . . c30498_6e5j 1 . 7 . 3137 . 1 1 26 HIS CD2 C -7.947 5.357 1.979 . . . 1.0 . . . . . . . . . . . . A . 26 HIS CD2 . . . . . . . . . c30498_6e5j 1 . 7 . 3138 . 1 1 26 HIS CE1 C -8.249 6.425 3.863 . . . 1.0 . . . . . . . . . . . . A . 26 HIS CE1 . . . . . . . . . c30498_6e5j 1 . 7 . 3139 . 1 1 26 HIS CG C -8.820 4.633 2.719 . . . 1.0 . . . . . . . . . . . . A . 26 HIS CG . . . . . . . . . c30498_6e5j 1 . 7 . 3140 . 1 1 26 HIS H H -7.378 1.849 1.351 . . . 1.0 . . . . . . . . . . . . A . 26 HIS H . . . . . . . . . c30498_6e5j 1 . 7 . 3141 . 1 1 26 HIS HA H -8.630 2.164 3.992 . . . 1.0 . . . . . . . . . . . . A . 26 HIS HA . . . . . . . . . c30498_6e5j 1 . 7 . 3142 . 1 1 26 HIS HB2 H -9.639 3.261 1.356 . . . 1.0 . . . . . . . . . . . . A . 26 HIS HB2 . . . . . . . . . c30498_6e5j 1 . 7 . 3143 . 1 1 26 HIS HB3 H -10.484 3.363 2.893 . . . 1.0 . . . . . . . . . . . . A . 26 HIS HB3 . . . . . . . . . c30498_6e5j 1 . 7 . 3144 . 1 1 26 HIS HD1 H -9.568 5.069 4.643 . . . 1.0 . . . . . . . . . . . . A . 26 HIS HD1 . . . . . . . . . c30498_6e5j 1 . 7 . 3145 . 1 1 26 HIS HD2 H -7.584 5.110 0.992 . . . 1.0 . . . . . . . . . . . . A . 26 HIS HD2 . . . . . . . . . c30498_6e5j 1 . 7 . 3146 . 1 1 26 HIS HE1 H -8.180 7.163 4.648 . . . 1.0 . . . . . . . . . . . . A . 26 HIS HE1 . . . . . . . . . c30498_6e5j 1 . 7 . 3147 . 1 1 26 HIS HE2 H -7.006 7.181 2.421 . . . 1.0 . . . . . . . . . . . . A . 26 HIS HE2 . . . . . . . . . c30498_6e5j 1 . 7 . 3148 . 1 1 26 HIS N N -7.445 2.030 2.316 . . . 1.0 . . . . . . . . . . . . A . 26 HIS N . . . . . . . . . c30498_6e5j 1 . 7 . 3149 . 1 1 26 HIS ND1 N -8.988 5.332 3.895 . . . 1.0 . . . . . . . . . . . . A . 26 HIS ND1 . . . . . . . . . c30498_6e5j 1 . 7 . 3150 . 1 1 26 HIS NE2 N -7.610 6.461 2.715 . . . 1.0 . . . . . . . . . . . . A . 26 HIS NE2 . . . . . . . . . c30498_6e5j 1 . 7 . 3151 . 1 1 26 HIS O O -9.881 0.586 1.433 . . . 1.0 . . . . . . . . . . . . A . 26 HIS O . . . . . . . . . c30498_6e5j 1 . 7 . 3152 . 1 1 27 CYS C C -12.080 -0.903 3.693 . . . 1.0 . . . . . . . . . . . . A . 27 CYS C . . . . . . . . . c30498_6e5j 1 . 7 . 3153 . 1 1 27 CYS CA C -10.607 -1.174 3.432 . . . 1.0 . . . . . . . . . . . . A . 27 CYS CA . . . . . . . . . c30498_6e5j 1 . 7 . 3154 . 1 1 27 CYS CB C -10.098 -2.273 4.363 . . . 1.0 . . . . . . . . . . . . A . 27 CYS CB . . . . . . . . . c30498_6e5j 1 . 7 . 3155 . 1 1 27 CYS H H -9.502 0.275 4.504 . . . 1.0 . . . . . . . . . . . . A . 27 CYS H . . . . . . . . . c30498_6e5j 1 . 7 . 3156 . 1 1 27 CYS HA H -10.488 -1.497 2.409 . . . 1.0 . . . . . . . . . . . . A . 27 CYS HA . . . . . . . . . c30498_6e5j 1 . 7 . 3157 . 1 1 27 CYS HB2 H -10.135 -1.917 5.381 . . . 1.0 . . . . . . . . . . . . A . 27 CYS HB2 . . . . . . . . . c30498_6e5j 1 . 7 . 3158 . 1 1 27 CYS HB3 H -10.738 -3.138 4.266 . . . 1.0 . . . . . . . . . . . . A . 27 CYS HB3 . . . . . . . . . c30498_6e5j 1 . 7 . 3159 . 1 1 27 CYS N N -9.829 0.041 3.608 . . . 1.0 . . . . . . . . . . . . A . 27 CYS N . . . . . . . . . c30498_6e5j 1 . 7 . 3160 . 1 1 27 CYS O O -12.586 -1.119 4.793 . . . 1.0 . . . . . . . . . . . . A . 27 CYS O . . . . . . . . . c30498_6e5j 1 . 7 . 3161 . 1 1 27 CYS SG S -8.387 -2.804 4.021 . . . 1.0 . . . . . . . . . . . . A . 27 CYS SG . . . . . . . . . c30498_6e5j 1 . 7 . 3162 . 1 1 28 NH2 HN1 H -12.304 -0.266 1.827 . . . 1.0 . . . . . . . . . . . . A . 28 NH2 HN1 . . . . . . . . . c30498_6e5j 1 . 7 . 3163 . 1 1 28 NH2 HN2 H -13.720 -0.228 2.814 . . . 1.0 . . . . . . . . . . . . A . 28 NH2 HN2 . . . . . . . . . c30498_6e5j 1 . 7 . 3164 . 1 1 28 NH2 N N -12.770 -0.417 2.678 . . . 1.0 . . . . . . . . . . . . A . 28 NH2 N . . . . . . . . . c30498_6e5j 1 . 8 . 3165 . 1 1 1 ASN C C 11.558 -5.227 -0.645 . . . 1.0 . . . . . . . . . . . . A . 1 ASN C . . . . . . . . . c30498_6e5j 1 . 8 . 3166 . 1 1 1 ASN CA C 12.474 -5.746 0.451 . . . 1.0 . . . . . . . . . . . . A . 1 ASN CA . . . . . . . . . c30498_6e5j 1 . 8 . 3167 . 1 1 1 ASN CB C 12.886 -4.591 1.367 . . . 1.0 . . . . . . . . . . . . A . 1 ASN CB . . . . . . . . . c30498_6e5j 1 . 8 . 3168 . 1 1 1 ASN CG C 13.603 -5.061 2.615 . . . 1.0 . . . . . . . . . . . . A . 1 ASN CG . . . . . . . . . c30498_6e5j 1 . 8 . 3169 . 1 1 1 ASN H1 H 13.390 -7.191 -0.736 . . . 1.0 . . . . . . . . . . . . A . 1 ASN H1 . . . . . . . . . c30498_6e5j 1 . 8 . 3170 . 1 1 1 ASN H2 H 14.298 -6.739 0.618 . . . 1.0 . . . . . . . . . . . . A . 1 ASN H2 . . . . . . . . . c30498_6e5j 1 . 8 . 3171 . 1 1 1 ASN H3 H 14.195 -5.708 -0.719 . . . 1.0 . . . . . . . . . . . . A . 1 ASN H3 . . . . . . . . . c30498_6e5j 1 . 8 . 3172 . 1 1 1 ASN HA H 11.942 -6.483 1.033 . . . 1.0 . . . . . . . . . . . . A . 1 ASN HA . . . . . . . . . c30498_6e5j 1 . 8 . 3173 . 1 1 1 ASN HB2 H 13.546 -3.929 0.825 . . . 1.0 . . . . . . . . . . . . A . 1 ASN HB2 . . . . . . . . . c30498_6e5j 1 . 8 . 3174 . 1 1 1 ASN HB3 H 12.005 -4.045 1.664 . . . 1.0 . . . . . . . . . . . . A . 1 ASN HB3 . . . . . . . . . c30498_6e5j 1 . 8 . 3175 . 1 1 1 ASN HD21 H 12.861 -3.534 3.643 . . . 1.0 . . . . . . . . . . . . A . 1 ASN HD21 . . . . . . . . . c30498_6e5j 1 . 8 . 3176 . 1 1 1 ASN HD22 H 13.884 -4.611 4.529 . . . 1.0 . . . . . . . . . . . . A . 1 ASN HD22 . . . . . . . . . c30498_6e5j 1 . 8 . 3177 . 1 1 1 ASN N N 13.672 -6.391 -0.135 . . . 1.0 . . . . . . . . . . . . A . 1 ASN N . . . . . . . . . c30498_6e5j 1 . 8 . 3178 . 1 1 1 ASN ND2 N 13.432 -4.329 3.704 . . . 1.0 . . . . . . . . . . . . A . 1 ASN ND2 . . . . . . . . . c30498_6e5j 1 . 8 . 3179 . 1 1 1 ASN O O 11.911 -4.292 -1.361 . . . 1.0 . . . . . . . . . . . . A . 1 ASN O . . . . . . . . . c30498_6e5j 1 . 8 . 3180 . 1 1 1 ASN OD1 O 14.301 -6.075 2.601 . . . 1.0 . . . . . . . . . . . . A . 1 ASN OD1 . . . . . . . . . c30498_6e5j 1 . 8 . 3181 . 1 1 2 ASP C C 8.092 -5.033 -1.248 . . . 1.0 . . . . . . . . . . . . A . 2 ASP C . . . . . . . . . c30498_6e5j 1 . 8 . 3182 . 1 1 2 ASP CA C 9.438 -5.445 -1.827 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CA . . . . . . . . . c30498_6e5j 1 . 8 . 3183 . 1 1 2 ASP CB C 9.239 -6.583 -2.832 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CB . . . . . . . . . c30498_6e5j 1 . 8 . 3184 . 1 1 2 ASP CG C 10.343 -6.645 -3.866 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CG . . . . . . . . . c30498_6e5j 1 . 8 . 3185 . 1 1 2 ASP H H 10.145 -6.567 -0.172 . . . 1.0 . . . . . . . . . . . . A . 2 ASP H . . . . . . . . . c30498_6e5j 1 . 8 . 3186 . 1 1 2 ASP HA H 9.860 -4.599 -2.344 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HA . . . . . . . . . c30498_6e5j 1 . 8 . 3187 . 1 1 2 ASP HB2 H 9.214 -7.522 -2.303 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HB2 . . . . . . . . . c30498_6e5j 1 . 8 . 3188 . 1 1 2 ASP HB3 H 8.300 -6.439 -3.345 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HB3 . . . . . . . . . c30498_6e5j 1 . 8 . 3189 . 1 1 2 ASP N N 10.383 -5.836 -0.782 . . . 1.0 . . . . . . . . . . . . A . 2 ASP N . . . . . . . . . c30498_6e5j 1 . 8 . 3190 . 1 1 2 ASP O O 7.047 -5.261 -1.859 . . . 1.0 . . . . . . . . . . . . A . 2 ASP O . . . . . . . . . c30498_6e5j 1 . 8 . 3191 . 1 1 2 ASP OD1 O 10.336 -5.827 -4.812 . . . 1.0 . . . . . . . . . . . . A . 2 ASP OD1 . . . . . . . . . c30498_6e5j 1 . 8 . 3192 . 1 1 2 ASP OD2 O 11.226 -7.519 -3.742 . . . 1.0 . . . . . . . . . . . . A . 2 ASP OD2 . . . . . . . . . c30498_6e5j 1 . 8 . 3193 . 1 1 3 B3K C C 5.340 -2.186 -0.327 . . . 1.0 . . . . . . . . . . . . A . 3 B3K C . . . . . . . . . c30498_6e5j 1 . 8 . 3194 . 1 1 3 B3K CA C 6.664 -2.467 0.339 . . . 1.0 . . . . . . . . . . . . A . 3 B3K CA . . . . . . . . . c30498_6e5j 1 . 8 . 3195 . 1 1 3 B3K CB C 6.878 -3.964 0.541 . . . 1.0 . . . . . . . . . . . . A . 3 B3K CB . . . . . . . . . c30498_6e5j 1 . 8 . 3196 . 1 1 3 B3K CD C 6.882 -5.753 2.365 . . . 1.0 . . . . . . . . . . . . A . 3 B3K CD . . . . . . . . . c30498_6e5j 1 . 8 . 3197 . 1 1 3 B3K CE C 6.701 -6.000 3.852 . . . 1.0 . . . . . . . . . . . . A . 3 B3K CE . . . . . . . . . c30498_6e5j 1 . 8 . 3198 . 1 1 3 B3K CF C 6.674 -7.486 4.177 . . . 1.0 . . . . . . . . . . . . A . 3 B3K CF . . . . . . . . . c30498_6e5j 1 . 8 . 3199 . 1 1 3 B3K CG C 6.873 -4.268 2.042 . . . 1.0 . . . . . . . . . . . . A . 3 B3K CG . . . . . . . . . c30498_6e5j 1 . 8 . 3200 . 1 1 3 B3K H H 8.969 -4.218 0.356 . . . 1.0 . . . . . . . . . . . . A . 3 B3K H . . . . . . . . . c30498_6e5j 1 . 8 . 3201 . 1 1 3 B3K HA1 H 6.679 -1.977 1.301 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HA1 . . . . . . . . . c30498_6e5j 1 . 8 . 3202 . 1 1 3 B3K HA2 H 7.454 -2.069 -0.282 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HA2 . . . . . . . . . c30498_6e5j 1 . 8 . 3203 . 1 1 3 B3K HB H 6.071 -4.501 0.046 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HB . . . . . . . . . c30498_6e5j 1 . 8 . 3204 . 1 1 3 B3K HD2 H 7.827 -6.174 2.052 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HD2 . . . . . . . . . c30498_6e5j 1 . 8 . 3205 . 1 1 3 B3K HD3 H 6.077 -6.232 1.829 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HD3 . . . . . . . . . c30498_6e5j 1 . 8 . 3206 . 1 1 3 B3K HE2 H 5.770 -5.554 4.169 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HE2 . . . . . . . . . c30498_6e5j 1 . 8 . 3207 . 1 1 3 B3K HE3 H 7.520 -5.542 4.384 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HE3 . . . . . . . . . c30498_6e5j 1 . 8 . 3208 . 1 1 3 B3K HF1 H 5.880 -7.950 3.610 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HF1 . . . . . . . . . c30498_6e5j 1 . 8 . 3209 . 1 1 3 B3K HF2 H 6.480 -7.607 5.232 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HF2 . . . . . . . . . c30498_6e5j 1 . 8 . 3210 . 1 1 3 B3K HG2 H 5.989 -3.832 2.482 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HG2 . . . . . . . . . c30498_6e5j 1 . 8 . 3211 . 1 1 3 B3K HG3 H 7.746 -3.818 2.491 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HG3 . . . . . . . . . c30498_6e5j 1 . 8 . 3212 . 1 1 3 B3K HNZ1 H 8.738 -7.717 4.377 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HNZ1 . . . . . . . . . c30498_6e5j 1 . 8 . 3213 . 1 1 3 B3K HNZ2 H 8.158 -8.065 2.828 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HNZ2 . . . . . . . . . c30498_6e5j 1 . 8 . 3214 . 1 1 3 B3K N N 8.112 -4.404 -0.080 . . . 1.0 . . . . . . . . . . . . A . 3 B3K N . . . . . . . . . c30498_6e5j 1 . 8 . 3215 . 1 1 3 B3K NZ N 7.959 -8.153 3.844 . . . 1.0 . . . . . . . . . . . . A . 3 B3K NZ . . . . . . . . . c30498_6e5j 1 . 8 . 3216 . 1 1 3 B3K O O 4.277 -2.530 0.200 . . . 1.0 . . . . . . . . . . . . A . 3 B3K O . . . . . . . . . c30498_6e5j 1 . 8 . 3217 . 1 1 4 CYS C C 3.678 -2.653 -2.837 . . . 1.0 . . . . . . . . . . . . A . 4 CYS C . . . . . . . . . c30498_6e5j 1 . 8 . 3218 . 1 1 4 CYS CA C 4.200 -1.341 -2.285 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CA . . . . . . . . . c30498_6e5j 1 . 8 . 3219 . 1 1 4 CYS CB C 4.461 -0.354 -3.429 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CB . . . . . . . . . c30498_6e5j 1 . 8 . 3220 . 1 1 4 CYS H H 6.270 -1.310 -1.867 . . . 1.0 . . . . . . . . . . . . A . 4 CYS H . . . . . . . . . c30498_6e5j 1 . 8 . 3221 . 1 1 4 CYS HA H 3.455 -0.927 -1.623 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HA . . . . . . . . . c30498_6e5j 1 . 8 . 3222 . 1 1 4 CYS HB2 H 4.758 0.597 -3.016 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB2 . . . . . . . . . c30498_6e5j 1 . 8 . 3223 . 1 1 4 CYS HB3 H 5.258 -0.734 -4.050 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB3 . . . . . . . . . c30498_6e5j 1 . 8 . 3224 . 1 1 4 CYS N N 5.398 -1.583 -1.507 . . . 1.0 . . . . . . . . . . . . A . 4 CYS N . . . . . . . . . c30498_6e5j 1 . 8 . 3225 . 1 1 4 CYS O O 2.544 -3.025 -2.558 . . . 1.0 . . . . . . . . . . . . A . 4 CYS O . . . . . . . . . c30498_6e5j 1 . 8 . 3226 . 1 1 4 CYS SG S 3.012 -0.067 -4.500 . . . 1.0 . . . . . . . . . . . . A . 4 CYS SG . . . . . . . . . c30498_6e5j 1 . 8 . 3227 . 1 1 5 LYS C C 3.484 -5.573 -3.234 . . . 1.0 . . . . . . . . . . . . A . 5 LYS C . . . . . . . . . c30498_6e5j 1 . 8 . 3228 . 1 1 5 LYS CA C 4.131 -4.619 -4.228 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CA . . . . . . . . . c30498_6e5j 1 . 8 . 3229 . 1 1 5 LYS CB C 5.336 -5.292 -4.888 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CB . . . . . . . . . c30498_6e5j 1 . 8 . 3230 . 1 1 5 LYS CD C 7.017 -5.239 -6.748 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CD . . . . . . . . . c30498_6e5j 1 . 8 . 3231 . 1 1 5 LYS CE C 7.616 -4.409 -7.871 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CE . . . . . . . . . c30498_6e5j 1 . 8 . 3232 . 1 1 5 LYS CG C 5.983 -4.447 -5.967 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CG . . . . . . . . . c30498_6e5j 1 . 8 . 3233 . 1 1 5 LYS H H 5.450 -3.050 -3.685 . . . 1.0 . . . . . . . . . . . . A . 5 LYS H . . . . . . . . . c30498_6e5j 1 . 8 . 3234 . 1 1 5 LYS HA H 3.407 -4.375 -4.991 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HA . . . . . . . . . c30498_6e5j 1 . 8 . 3235 . 1 1 5 LYS HB2 H 6.077 -5.500 -4.131 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HB2 . . . . . . . . . c30498_6e5j 1 . 8 . 3236 . 1 1 5 LYS HB3 H 5.014 -6.222 -5.330 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HB3 . . . . . . . . . c30498_6e5j 1 . 8 . 3237 . 1 1 5 LYS HD2 H 7.806 -5.543 -6.077 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HD2 . . . . . . . . . c30498_6e5j 1 . 8 . 3238 . 1 1 5 LYS HD3 H 6.543 -6.113 -7.170 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HD3 . . . . . . . . . c30498_6e5j 1 . 8 . 3239 . 1 1 5 LYS HE2 H 8.134 -3.566 -7.442 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HE2 . . . . . . . . . c30498_6e5j 1 . 8 . 3240 . 1 1 5 LYS HE3 H 8.317 -5.021 -8.419 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HE3 . . . . . . . . . c30498_6e5j 1 . 8 . 3241 . 1 1 5 LYS HG2 H 5.219 -4.102 -6.648 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HG2 . . . . . . . . . c30498_6e5j 1 . 8 . 3242 . 1 1 5 LYS HG3 H 6.464 -3.598 -5.506 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HG3 . . . . . . . . . c30498_6e5j 1 . 8 . 3243 . 1 1 5 LYS HZ1 H 5.867 -3.346 -8.296 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ1 . . . . . . . . . c30498_6e5j 1 . 8 . 3244 . 1 1 5 LYS HZ2 H 6.092 -4.709 -9.269 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ2 . . . . . . . . . c30498_6e5j 1 . 8 . 3245 . 1 1 5 LYS HZ3 H 7.006 -3.314 -9.542 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ3 . . . . . . . . . c30498_6e5j 1 . 8 . 3246 . 1 1 5 LYS N N 4.529 -3.369 -3.577 . . . 1.0 . . . . . . . . . . . . A . 5 LYS N . . . . . . . . . c30498_6e5j 1 . 8 . 3247 . 1 1 5 LYS NZ N 6.573 -3.911 -8.809 . . . 1.0 . . . . . . . . . . . . A . 5 LYS NZ . . . . . . . . . c30498_6e5j 1 . 8 . 3248 . 1 1 5 LYS O O 2.312 -5.937 -3.377 . . . 1.0 . . . . . . . . . . . . A . 5 LYS O . . . . . . . . . c30498_6e5j 1 . 8 . 3249 . 1 1 6 B3E C C 2.381 -5.801 0.631 . . . 1.0 . . . . . . . . . . . . A . 6 B3E C . . . . . . . . . c30498_6e5j 1 . 8 . 3250 . 1 1 6 B3E CA C 3.749 -6.196 0.149 . . . 1.0 . . . . . . . . . . . . A . 6 B3E CA . . . . . . . . . c30498_6e5j 1 . 8 . 3251 . 1 1 6 B3E CB C 3.721 -6.863 -1.222 . . . 1.0 . . . . . . . . . . . . A . 6 B3E CB . . . . . . . . . c30498_6e5j 1 . 8 . 3252 . 1 1 6 B3E CD C 4.600 -8.928 -2.436 . . . 1.0 . . . . . . . . . . . . A . 6 B3E CD . . . . . . . . . c30498_6e5j 1 . 8 . 3253 . 1 1 6 B3E CE C 5.443 -10.179 -2.332 . . . 1.0 . . . . . . . . . . . . A . 6 B3E CE . . . . . . . . . c30498_6e5j 1 . 8 . 3254 . 1 1 6 B3E CG C 4.574 -8.132 -1.141 . . . 1.0 . . . . . . . . . . . . A . 6 B3E CG . . . . . . . . . c30498_6e5j 1 . 8 . 3255 . 1 1 6 B3E H H 5.182 -5.681 -2.175 . . . 1.0 . . . . . . . . . . . . A . 6 B3E H . . . . . . . . . c30498_6e5j 1 . 8 . 3256 . 1 1 6 B3E HA1 H 4.179 -6.881 0.863 . . . 1.0 . . . . . . . . . . . . A . 6 B3E HA1 . . . . . . . . . c30498_6e5j 1 . 8 . 3257 . 1 1 6 B3E HA2 H 4.358 -5.308 0.097 . . . 1.0 . . . . . . . . . . . . A . 6 B3E HA2 . . . . . . . . . c30498_6e5j 1 . 8 . 3258 . 1 1 6 B3E HB H 2.678 -7.081 -1.507 . . . 1.0 . . . . . . . . . . . . A . 6 B3E HB . . . . . . . . . c30498_6e5j 1 . 8 . 3259 . 1 1 6 B3E HD2 H 5.004 -8.303 -3.220 . . . 1.0 . . . . . . . . . . . . A . 6 B3E HD2 . . . . . . . . . c30498_6e5j 1 . 8 . 3260 . 1 1 6 B3E HD3 H 3.590 -9.213 -2.688 . . . 1.0 . . . . . . . . . . . . A . 6 B3E HD3 . . . . . . . . . c30498_6e5j 1 . 8 . 3261 . 1 1 6 B3E HG2 H 4.182 -8.768 -0.362 . . . 1.0 . . . . . . . . . . . . A . 6 B3E HG2 . . . . . . . . . c30498_6e5j 1 . 8 . 3262 . 1 1 6 B3E HG3 H 5.588 -7.855 -0.893 . . . 1.0 . . . . . . . . . . . . A . 6 B3E HG3 . . . . . . . . . c30498_6e5j 1 . 8 . 3263 . 1 1 6 B3E N N 4.245 -5.983 -2.231 . . . 1.0 . . . . . . . . . . . . A . 6 B3E N . . . . . . . . . c30498_6e5j 1 . 8 . 3264 . 1 1 6 B3E O O 1.548 -6.647 0.969 . . . 1.0 . . . . . . . . . . . . A . 6 B3E O . . . . . . . . . c30498_6e5j 1 . 8 . 3265 . 1 1 6 B3E OF1 O 6.571 -10.189 -2.859 . . . 1.0 . . . . . . . . . . . . A . 6 B3E OF1 . . . . . . . . . c30498_6e5j 1 . 8 . 3266 . 1 1 6 B3E OF2 O 4.983 -11.162 -1.716 . . . 1.0 . . . . . . . . . . . . A . 6 B3E OF2 . . . . . . . . . c30498_6e5j 1 . 8 . 3267 . 1 1 7 LEU C C -0.194 -4.138 -0.001 . . . 1.0 . . . . . . . . . . . . A . 7 LEU C . . . . . . . . . c30498_6e5j 1 . 8 . 3268 . 1 1 7 LEU CA C 0.862 -3.970 1.087 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CA . . . . . . . . . c30498_6e5j 1 . 8 . 3269 . 1 1 7 LEU CB C 1.006 -2.500 1.483 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CB . . . . . . . . . c30498_6e5j 1 . 8 . 3270 . 1 1 7 LEU CD1 C 2.081 -0.744 2.907 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CD1 . . . . . . . . . c30498_6e5j 1 . 8 . 3271 . 1 1 7 LEU CD2 C 1.735 -3.035 3.830 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CD2 . . . . . . . . . c30498_6e5j 1 . 8 . 3272 . 1 1 7 LEU CG C 2.039 -2.223 2.578 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CG . . . . . . . . . c30498_6e5j 1 . 8 . 3273 . 1 1 7 LEU H H 2.844 -3.873 0.358 . . . 1.0 . . . . . . . . . . . . A . 7 LEU H . . . . . . . . . c30498_6e5j 1 . 8 . 3274 . 1 1 7 LEU HA H 0.556 -4.536 1.952 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HA . . . . . . . . . c30498_6e5j 1 . 8 . 3275 . 1 1 7 LEU HB2 H 1.285 -1.939 0.603 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HB2 . . . . . . . . . c30498_6e5j 1 . 8 . 3276 . 1 1 7 LEU HB3 H 0.047 -2.147 1.825 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HB3 . . . . . . . . . c30498_6e5j 1 . 8 . 3277 . 1 1 7 LEU HD11 H 2.338 -0.186 2.019 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD11 . . . . . . . . . c30498_6e5j 1 . 8 . 3278 . 1 1 7 LEU HD12 H 2.824 -0.568 3.671 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD12 . . . . . . . . . c30498_6e5j 1 . 8 . 3279 . 1 1 7 LEU HD13 H 1.112 -0.427 3.265 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD13 . . . . . . . . . c30498_6e5j 1 . 8 . 3280 . 1 1 7 LEU HD21 H 2.431 -2.765 4.611 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD21 . . . . . . . . . c30498_6e5j 1 . 8 . 3281 . 1 1 7 LEU HD22 H 1.834 -4.088 3.612 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD22 . . . . . . . . . c30498_6e5j 1 . 8 . 3282 . 1 1 7 LEU HD23 H 0.728 -2.828 4.158 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD23 . . . . . . . . . c30498_6e5j 1 . 8 . 3283 . 1 1 7 LEU HG H 3.017 -2.512 2.223 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HG . . . . . . . . . c30498_6e5j 1 . 8 . 3284 . 1 1 7 LEU N N 2.138 -4.498 0.647 . . . 1.0 . . . . . . . . . . . . A . 7 LEU N . . . . . . . . . c30498_6e5j 1 . 8 . 3285 . 1 1 7 LEU O O -1.292 -4.618 0.275 . . . 1.0 . . . . . . . . . . . . A . 7 LEU O . . . . . . . . . c30498_6e5j 1 . 8 . 3286 . 1 1 8 LYS C C -1.306 -5.298 -2.453 . . . 1.0 . . . . . . . . . . . . A . 8 LYS C . . . . . . . . . c30498_6e5j 1 . 8 . 3287 . 1 1 8 LYS CA C -0.760 -3.883 -2.371 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CA . . . . . . . . . c30498_6e5j 1 . 8 . 3288 . 1 1 8 LYS CB C -0.047 -3.505 -3.670 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CB . . . . . . . . . c30498_6e5j 1 . 8 . 3289 . 1 1 8 LYS CD C -0.166 -2.997 -6.109 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CD . . . . . . . . . c30498_6e5j 1 . 8 . 3290 . 1 1 8 LYS CE C -1.066 -2.757 -7.306 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CE . . . . . . . . . c30498_6e5j 1 . 8 . 3291 . 1 1 8 LYS CG C -0.958 -3.387 -4.875 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CG . . . . . . . . . c30498_6e5j 1 . 8 . 3292 . 1 1 8 LYS H H 1.061 -3.420 -1.394 . . . 1.0 . . . . . . . . . . . . A . 8 LYS H . . . . . . . . . c30498_6e5j 1 . 8 . 3293 . 1 1 8 LYS HA H -1.576 -3.202 -2.205 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HA . . . . . . . . . c30498_6e5j 1 . 8 . 3294 . 1 1 8 LYS HB2 H 0.446 -2.555 -3.529 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB2 . . . . . . . . . c30498_6e5j 1 . 8 . 3295 . 1 1 8 LYS HB3 H 0.700 -4.254 -3.887 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB3 . . . . . . . . . c30498_6e5j 1 . 8 . 3296 . 1 1 8 LYS HD2 H 0.384 -2.092 -5.901 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD2 . . . . . . . . . c30498_6e5j 1 . 8 . 3297 . 1 1 8 LYS HD3 H 0.527 -3.792 -6.346 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD3 . . . . . . . . . c30498_6e5j 1 . 8 . 3298 . 1 1 8 LYS HE2 H -1.619 -3.662 -7.512 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE2 . . . . . . . . . c30498_6e5j 1 . 8 . 3299 . 1 1 8 LYS HE3 H -1.755 -1.962 -7.070 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE3 . . . . . . . . . c30498_6e5j 1 . 8 . 3300 . 1 1 8 LYS HG2 H -1.438 -4.339 -5.046 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG2 . . . . . . . . . c30498_6e5j 1 . 8 . 3301 . 1 1 8 LYS HG3 H -1.705 -2.631 -4.679 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG3 . . . . . . . . . c30498_6e5j 1 . 8 . 3302 . 1 1 8 LYS HZ1 H -0.927 -2.170 -9.307 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ1 . . . . . . . . . c30498_6e5j 1 . 8 . 3303 . 1 1 8 LYS HZ2 H 0.343 -3.161 -8.792 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ2 . . . . . . . . . c30498_6e5j 1 . 8 . 3304 . 1 1 8 LYS HZ3 H 0.292 -1.538 -8.318 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ3 . . . . . . . . . c30498_6e5j 1 . 8 . 3305 . 1 1 8 LYS N N 0.157 -3.772 -1.237 . . . 1.0 . . . . . . . . . . . . A . 8 LYS N . . . . . . . . . c30498_6e5j 1 . 8 . 3306 . 1 1 8 LYS NZ N -0.286 -2.381 -8.515 . . . 1.0 . . . . . . . . . . . . A . 8 LYS NZ . . . . . . . . . c30498_6e5j 1 . 8 . 3307 . 1 1 8 LYS O O -2.519 -5.509 -2.516 . . . 1.0 . . . . . . . . . . . . A . 8 LYS O . . . . . . . . . c30498_6e5j 1 . 8 . 3308 . 1 1 9 B3K C C -1.098 -8.698 -0.177 . . . 1.0 . . . . . . . . . . . . A . 9 B3K C . . . . . . . . . c30498_6e5j 1 . 8 . 3309 . 1 1 9 B3K CA C -0.140 -8.401 -1.304 . . . 1.0 . . . . . . . . . . . . A . 9 B3K CA . . . . . . . . . c30498_6e5j 1 . 8 . 3310 . 1 1 9 B3K CB C -0.785 -7.653 -2.473 . . . 1.0 . . . . . . . . . . . . A . 9 B3K CB . . . . . . . . . c30498_6e5j 1 . 8 . 3311 . 1 1 9 B3K CD C -0.845 -7.697 -5.044 . . . 1.0 . . . . . . . . . . . . A . 9 B3K CD . . . . . . . . . c30498_6e5j 1 . 8 . 3312 . 1 1 9 B3K CE C -2.360 -7.783 -5.099 . . . 1.0 . . . . . . . . . . . . A . 9 B3K CE . . . . . . . . . c30498_6e5j 1 . 8 . 3313 . 1 1 9 B3K CF C -2.904 -7.248 -6.413 . . . 1.0 . . . . . . . . . . . . A . 9 B3K CF . . . . . . . . . c30498_6e5j 1 . 8 . 3314 . 1 1 9 B3K CG C -0.294 -8.320 -3.768 . . . 1.0 . . . . . . . . . . . . A . 9 B3K CG . . . . . . . . . c30498_6e5j 1 . 8 . 3315 . 1 1 9 B3K H H 0.557 -6.030 -2.453 . . . 1.0 . . . . . . . . . . . . A . 9 B3K H . . . . . . . . . c30498_6e5j 1 . 8 . 3316 . 1 1 9 B3K HA1 H 0.256 -9.337 -1.667 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HA1 . . . . . . . . . c30498_6e5j 1 . 8 . 3317 . 1 1 9 B3K HA2 H 0.669 -7.805 -0.907 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HA2 . . . . . . . . . c30498_6e5j 1 . 8 . 3318 . 1 1 9 B3K HB H -1.885 -7.678 -2.375 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HB . . . . . . . . . c30498_6e5j 1 . 8 . 3319 . 1 1 9 B3K HD2 H -0.433 -8.221 -5.895 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HD2 . . . . . . . . . c30498_6e5j 1 . 8 . 3320 . 1 1 9 B3K HD3 H -0.553 -6.658 -5.083 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HD3 . . . . . . . . . c30498_6e5j 1 . 8 . 3321 . 1 1 9 B3K HE2 H -2.774 -7.204 -4.287 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HE2 . . . . . . . . . c30498_6e5j 1 . 8 . 3322 . 1 1 9 B3K HE3 H -2.656 -8.816 -4.993 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HE3 . . . . . . . . . c30498_6e5j 1 . 8 . 3323 . 1 1 9 B3K HF1 H -2.553 -7.878 -7.217 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HF1 . . . . . . . . . c30498_6e5j 1 . 8 . 3324 . 1 1 9 B3K HF2 H -2.538 -6.243 -6.558 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HF2 . . . . . . . . . c30498_6e5j 1 . 8 . 3325 . 1 1 9 B3K HG2 H -0.580 -9.361 -3.752 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HG2 . . . . . . . . . c30498_6e5j 1 . 8 . 3326 . 1 1 9 B3K HG3 H 0.783 -8.255 -3.803 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HG3 . . . . . . . . . c30498_6e5j 1 . 8 . 3327 . 1 1 9 B3K HNZ1 H -4.747 -6.554 -5.721 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HNZ1 . . . . . . . . . c30498_6e5j 1 . 8 . 3328 . 1 1 9 B3K HNZ2 H -4.768 -8.171 -6.215 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HNZ2 . . . . . . . . . c30498_6e5j 1 . 8 . 3329 . 1 1 9 B3K N N -0.401 -6.267 -2.454 . . . 1.0 . . . . . . . . . . . . A . 9 B3K N . . . . . . . . . c30498_6e5j 1 . 8 . 3330 . 1 1 9 B3K NZ N -4.391 -7.225 -6.431 . . . 1.0 . . . . . . . . . . . . A . 9 B3K NZ . . . . . . . . . c30498_6e5j 1 . 8 . 3331 . 1 1 9 B3K O O -1.850 -9.674 -0.216 . . . 1.0 . . . . . . . . . . . . A . 9 B3K O . . . . . . . . . c30498_6e5j 1 . 8 . 3332 . 1 1 10 ARG C C -3.290 -7.467 1.831 . . . 1.0 . . . . . . . . . . . . A . 10 ARG C . . . . . . . . . c30498_6e5j 1 . 8 . 3333 . 1 1 10 ARG CA C -1.887 -8.024 2.034 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CA . . . . . . . . . c30498_6e5j 1 . 8 . 3334 . 1 1 10 ARG CB C -1.239 -7.343 3.242 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CB . . . . . . . . . c30498_6e5j 1 . 8 . 3335 . 1 1 10 ARG CD C 0.168 -9.361 3.750 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CD . . . . . . . . . c30498_6e5j 1 . 8 . 3336 . 1 1 10 ARG CG C 0.156 -7.854 3.562 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CG . . . . . . . . . c30498_6e5j 1 . 8 . 3337 . 1 1 10 ARG CZ C 1.830 -11.160 4.023 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CZ . . . . . . . . . c30498_6e5j 1 . 8 . 3338 . 1 1 10 ARG H H -0.439 -7.083 0.806 . . . 1.0 . . . . . . . . . . . . A . 10 ARG H . . . . . . . . . c30498_6e5j 1 . 8 . 3339 . 1 1 10 ARG HA H -1.963 -9.079 2.229 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HA . . . . . . . . . c30498_6e5j 1 . 8 . 3340 . 1 1 10 ARG HB2 H -1.174 -6.281 3.051 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HB2 . . . . . . . . . c30498_6e5j 1 . 8 . 3341 . 1 1 10 ARG HB3 H -1.864 -7.504 4.106 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HB3 . . . . . . . . . c30498_6e5j 1 . 8 . 3342 . 1 1 10 ARG HD2 H -0.472 -9.614 4.582 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HD2 . . . . . . . . . c30498_6e5j 1 . 8 . 3343 . 1 1 10 ARG HD3 H -0.212 -9.825 2.852 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HD3 . . . . . . . . . c30498_6e5j 1 . 8 . 3344 . 1 1 10 ARG HE H 2.215 -9.203 4.197 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HE . . . . . . . . . c30498_6e5j 1 . 8 . 3345 . 1 1 10 ARG HG2 H 0.821 -7.599 2.751 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HG2 . . . . . . . . . c30498_6e5j 1 . 8 . 3346 . 1 1 10 ARG HG3 H 0.499 -7.386 4.472 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HG3 . . . . . . . . . c30498_6e5j 1 . 8 . 3347 . 1 1 10 ARG HH11 H 1.142 -13.058 3.794 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH11 . . . . . . . . . c30498_6e5j 1 . 8 . 3348 . 1 1 10 ARG HH12 H -0.047 -11.808 3.605 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH12 . . . . . . . . . c30498_6e5j 1 . 8 . 3349 . 1 1 10 ARG HH21 H 3.325 -12.501 4.285 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH21 . . . . . . . . . c30498_6e5j 1 . 8 . 3350 . 1 1 10 ARG HH22 H 3.781 -10.835 4.461 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH22 . . . . . . . . . c30498_6e5j 1 . 8 . 3351 . 1 1 10 ARG N N -1.059 -7.848 0.846 . . . 1.0 . . . . . . . . . . . . A . 10 ARG N . . . . . . . . . c30498_6e5j 1 . 8 . 3352 . 1 1 10 ARG NE N 1.511 -9.867 4.011 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NE . . . . . . . . . c30498_6e5j 1 . 8 . 3353 . 1 1 10 ARG NH1 N 0.900 -12.082 3.786 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NH1 . . . . . . . . . c30498_6e5j 1 . 8 . 3354 . 1 1 10 ARG NH2 N 3.078 -11.526 4.275 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NH2 . . . . . . . . . c30498_6e5j 1 . 8 . 3355 . 1 1 10 ARG O O -4.280 -8.108 2.190 . . . 1.0 . . . . . . . . . . . . A . 10 ARG O . . . . . . . . . c30498_6e5j 1 . 8 . 3356 . 1 1 11 TYR C C -5.356 -6.035 -0.195 . . . 1.0 . . . . . . . . . . . . A . 11 TYR C . . . . . . . . . c30498_6e5j 1 . 8 . 3357 . 1 1 11 TYR CA C -4.642 -5.586 1.079 . . . 1.0 . . . . . . . . . . . . A . 11 TYR CA . . . . . . . . . c30498_6e5j 1 . 8 . 3358 . 1 1 11 TYR CB C -4.402 -4.077 1.057 . . . 1.0 . . . . . . . . . . . . A . 11 TYR CB . . . . . . . . . c30498_6e5j 1 . 8 . 3359 . 1 1 11 TYR CD1 C -4.508 -3.729 3.561 . . . 1.0 . . . . . . . . . . . . A . 11 TYR CD1 . . . . . . . . . c30498_6e5j 1 . 8 . 3360 . 1 1 11 TYR CD2 C -2.662 -2.802 2.371 . . . 1.0 . . . . . . . . . . . . A . 11 TYR CD2 . . . . . . . . . c30498_6e5j 1 . 8 . 3361 . 1 1 11 TYR CE1 C -4.002 -3.225 4.744 . . . 1.0 . . . . . . . . . . . . A . 11 TYR CE1 . . . . . . . . . c30498_6e5j 1 . 8 . 3362 . 1 1 11 TYR CE2 C -2.152 -2.296 3.550 . . . 1.0 . . . . . . . . . . . . A . 11 TYR CE2 . . . . . . . . . c30498_6e5j 1 . 8 . 3363 . 1 1 11 TYR CG C -3.846 -3.528 2.354 . . . 1.0 . . . . . . . . . . . . A . 11 TYR CG . . . . . . . . . c30498_6e5j 1 . 8 . 3364 . 1 1 11 TYR CZ C -2.823 -2.509 4.733 . . . 1.0 . . . . . . . . . . . . A . 11 TYR CZ . . . . . . . . . c30498_6e5j 1 . 8 . 3365 . 1 1 11 TYR H H -2.555 -5.861 0.897 . . . 1.0 . . . . . . . . . . . . A . 11 TYR H . . . . . . . . . c30498_6e5j 1 . 8 . 3366 . 1 1 11 TYR HA H -5.261 -5.830 1.929 . . . 1.0 . . . . . . . . . . . . A . 11 TYR HA . . . . . . . . . c30498_6e5j 1 . 8 . 3367 . 1 1 11 TYR HB2 H -3.697 -3.849 0.275 . . . 1.0 . . . . . . . . . . . . A . 11 TYR HB2 . . . . . . . . . c30498_6e5j 1 . 8 . 3368 . 1 1 11 TYR HB3 H -5.331 -3.574 0.852 . . . 1.0 . . . . . . . . . . . . A . 11 TYR HB3 . . . . . . . . . c30498_6e5j 1 . 8 . 3369 . 1 1 11 TYR HD1 H -5.429 -4.292 3.567 . . . 1.0 . . . . . . . . . . . . A . 11 TYR HD1 . . . . . . . . . c30498_6e5j 1 . 8 . 3370 . 1 1 11 TYR HD2 H -2.135 -2.636 1.443 . . . 1.0 . . . . . . . . . . . . A . 11 TYR HD2 . . . . . . . . . c30498_6e5j 1 . 8 . 3371 . 1 1 11 TYR HE1 H -4.529 -3.391 5.670 . . . 1.0 . . . . . . . . . . . . A . 11 TYR HE1 . . . . . . . . . c30498_6e5j 1 . 8 . 3372 . 1 1 11 TYR HE2 H -1.230 -1.734 3.541 . . . 1.0 . . . . . . . . . . . . A . 11 TYR HE2 . . . . . . . . . c30498_6e5j 1 . 8 . 3373 . 1 1 11 TYR HH H -2.301 -2.708 6.573 . . . 1.0 . . . . . . . . . . . . A . 11 TYR HH . . . . . . . . . c30498_6e5j 1 . 8 . 3374 . 1 1 11 TYR N N -3.372 -6.283 1.242 . . . 1.0 . . . . . . . . . . . . A . 11 TYR N . . . . . . . . . c30498_6e5j 1 . 8 . 3375 . 1 1 11 TYR O O -5.890 -5.217 -0.949 . . . 1.0 . . . . . . . . . . . . A . 11 TYR O . . . . . . . . . c30498_6e5j 1 . 8 . 3376 . 1 1 11 TYR OH O -2.314 -2.008 5.909 . . . 1.0 . . . . . . . . . . . . A . 11 TYR OH . . . . . . . . . c30498_6e5j 1 . 8 . 3377 . 1 1 12 ABA C C -7.426 -7.484 -1.799 . . . 1.0 . . . . . . . . . . . . A . 12 AIB C . . . . . . . . . c30498_6e5j 1 . 8 . 3378 . 1 1 12 ABA CA C -5.989 -7.977 -1.578 . . . 1.0 . . . . . . . . . . . . A . 12 AIB CA . . . . . . . . . c30498_6e5j 1 . 8 . 3379 . 1 1 12 ABA H H -4.995 -7.932 0.294 . . . 1.0 . . . . . . . . . . . . A . 12 AIB H . . . . . . . . . c30498_6e5j 1 . 8 . 3380 . 1 1 12 ABA N N -5.391 -7.353 -0.390 . . . 1.0 . . . . . . . . . . . . A . 12 AIB N . . . . . . . . . c30498_6e5j 1 . 8 . 3381 . 1 1 12 ABA O O -7.891 -7.392 -2.937 . . . 1.0 . . . . . . . . . . . . A . 12 AIB O . . . . . . . . . c30498_6e5j 1 . 8 . 3382 . 1 1 13 GLY C C -9.705 -5.313 -0.337 . . . 1.0 . . . . . . . . . . . . A . 13 GLY C . . . . . . . . . c30498_6e5j 1 . 8 . 3383 . 1 1 13 GLY CA C -9.499 -6.731 -0.831 . . . 1.0 . . . . . . . . . . . . A . 13 GLY CA . . . . . . . . . c30498_6e5j 1 . 8 . 3384 . 1 1 13 GLY H H -7.709 -7.257 0.169 . . . 1.0 . . . . . . . . . . . . A . 13 GLY H . . . . . . . . . c30498_6e5j 1 . 8 . 3385 . 1 1 13 GLY HA2 H -9.794 -6.785 -1.868 . . . 1.0 . . . . . . . . . . . . A . 13 GLY HA2 . . . . . . . . . c30498_6e5j 1 . 8 . 3386 . 1 1 13 GLY HA3 H -10.125 -7.394 -0.256 . . . 1.0 . . . . . . . . . . . . A . 13 GLY HA3 . . . . . . . . . c30498_6e5j 1 . 8 . 3387 . 1 1 13 GLY N N -8.126 -7.177 -0.715 . . . 1.0 . . . . . . . . . . . . A . 13 GLY N . . . . . . . . . c30498_6e5j 1 . 8 . 3388 . 1 1 13 GLY O O -10.778 -4.976 0.167 . . . 1.0 . . . . . . . . . . . . A . 13 GLY O . . . . . . . . . c30498_6e5j 1 . 8 . 3389 . 1 1 14 CYS C C -8.006 -2.186 -0.980 . . . 1.0 . . . . . . . . . . . . A . 14 CYS C . . . . . . . . . c30498_6e5j 1 . 8 . 3390 . 1 1 14 CYS CA C -8.752 -3.102 -0.012 . . . 1.0 . . . . . . . . . . . . A . 14 CYS CA . . . . . . . . . c30498_6e5j 1 . 8 . 3391 . 1 1 14 CYS CB C -8.146 -3.025 1.391 . . . 1.0 . . . . . . . . . . . . A . 14 CYS CB . . . . . . . . . c30498_6e5j 1 . 8 . 3392 . 1 1 14 CYS H H -7.853 -4.801 -0.902 . . . 1.0 . . . . . . . . . . . . A . 14 CYS H . . . . . . . . . c30498_6e5j 1 . 8 . 3393 . 1 1 14 CYS HA H -9.789 -2.808 0.027 . . . 1.0 . . . . . . . . . . . . A . 14 CYS HA . . . . . . . . . c30498_6e5j 1 . 8 . 3394 . 1 1 14 CYS HB2 H -8.724 -3.647 2.058 . . . 1.0 . . . . . . . . . . . . A . 14 CYS HB2 . . . . . . . . . c30498_6e5j 1 . 8 . 3395 . 1 1 14 CYS HB3 H -7.137 -3.396 1.353 . . . 1.0 . . . . . . . . . . . . A . 14 CYS HB3 . . . . . . . . . c30498_6e5j 1 . 8 . 3396 . 1 1 14 CYS N N -8.684 -4.481 -0.479 . . . 1.0 . . . . . . . . . . . . A . 14 CYS N . . . . . . . . . c30498_6e5j 1 . 8 . 3397 . 1 1 14 CYS O O -7.055 -2.617 -1.632 . . . 1.0 . . . . . . . . . . . . A . 14 CYS O . . . . . . . . . c30498_6e5j 1 . 8 . 3398 . 1 1 14 CYS SG S -8.094 -1.359 2.114 . . . 1.0 . . . . . . . . . . . . A . 14 CYS SG . . . . . . . . . c30498_6e5j 1 . 8 . 3399 . 1 1 15 GLU C C -6.461 0.444 -1.435 . . . 1.0 . . . . . . . . . . . . A . 15 GLU C . . . . . . . . . c30498_6e5j 1 . 8 . 3400 . 1 1 15 GLU CA C -7.808 0.016 -1.997 . . . 1.0 . . . . . . . . . . . . A . 15 GLU CA . . . . . . . . . c30498_6e5j 1 . 8 . 3401 . 1 1 15 GLU CB C -8.694 1.246 -2.211 . . . 1.0 . . . . . . . . . . . . A . 15 GLU CB . . . . . . . . . c30498_6e5j 1 . 8 . 3402 . 1 1 15 GLU CD C -9.752 0.480 -4.370 . . . 1.0 . . . . . . . . . . . . A . 15 GLU CD . . . . . . . . . c30498_6e5j 1 . 8 . 3403 . 1 1 15 GLU CG C -9.986 0.952 -2.949 . . . 1.0 . . . . . . . . . . . . A . 15 GLU CG . . . . . . . . . c30498_6e5j 1 . 8 . 3404 . 1 1 15 GLU H H -9.188 -0.624 -0.518 . . . 1.0 . . . . . . . . . . . . A . 15 GLU H . . . . . . . . . c30498_6e5j 1 . 8 . 3405 . 1 1 15 GLU HA H -7.657 -0.481 -2.943 . . . 1.0 . . . . . . . . . . . . A . 15 GLU HA . . . . . . . . . c30498_6e5j 1 . 8 . 3406 . 1 1 15 GLU HB2 H -8.944 1.667 -1.248 . . . 1.0 . . . . . . . . . . . . A . 15 GLU HB2 . . . . . . . . . c30498_6e5j 1 . 8 . 3407 . 1 1 15 GLU HB3 H -8.140 1.979 -2.780 . . . 1.0 . . . . . . . . . . . . A . 15 GLU HB3 . . . . . . . . . c30498_6e5j 1 . 8 . 3408 . 1 1 15 GLU HG2 H -10.522 0.183 -2.415 . . . 1.0 . . . . . . . . . . . . A . 15 GLU HG2 . . . . . . . . . c30498_6e5j 1 . 8 . 3409 . 1 1 15 GLU HG3 H -10.582 1.852 -2.976 . . . 1.0 . . . . . . . . . . . . A . 15 GLU HG3 . . . . . . . . . c30498_6e5j 1 . 8 . 3410 . 1 1 15 GLU N N -8.444 -0.931 -1.087 . . . 1.0 . . . . . . . . . . . . A . 15 GLU N . . . . . . . . . c30498_6e5j 1 . 8 . 3411 . 1 1 15 GLU O O -6.377 0.827 -0.272 . . . 1.0 . . . . . . . . . . . . A . 15 GLU O . . . . . . . . . c30498_6e5j 1 . 8 . 3412 . 1 1 15 GLU OE1 O -9.386 1.311 -5.229 . . . 1.0 . . . . . . . . . . . . A . 15 GLU OE1 . . . . . . . . . c30498_6e5j 1 . 8 . 3413 . 1 1 15 GLU OE2 O -9.941 -0.723 -4.640 . . . 1.0 . . . . . . . . . . . . A . 15 GLU OE2 . . . . . . . . . c30498_6e5j 1 . 8 . 3414 . 1 1 16 MVA C C -3.077 1.212 -2.794 . . . 1.0 . . . . . . . . . . . . A . 16 MVA C . . . . . . . . . c30498_6e5j 1 . 8 . 3415 . 1 1 16 MVA CA C -4.053 0.733 -1.714 . . . 1.0 . . . . . . . . . . . . A . 16 MVA CA . . . . . . . . . c30498_6e5j 1 . 8 . 3416 . 1 1 16 MVA CB C -3.437 -0.461 -0.935 . . . 1.0 . . . . . . . . . . . . A . 16 MVA CB . . . . . . . . . c30498_6e5j 1 . 8 . 3417 . 1 1 16 MVA CG1 C -3.438 -1.737 -1.762 . . . 1.0 . . . . . . . . . . . . A . 16 MVA CG1 . . . . . . . . . c30498_6e5j 1 . 8 . 3418 . 1 1 16 MVA CG2 C -2.026 -0.127 -0.466 . . . 1.0 . . . . . . . . . . . . A . 16 MVA CG2 . . . . . . . . . c30498_6e5j 1 . 8 . 3419 . 1 1 16 MVA CN C -5.560 0.040 -3.664 . . . 1.0 . . . . . . . . . . . . A . 16 MVA CN . . . . . . . . . c30498_6e5j 1 . 8 . 3420 . 1 1 16 MVA HA H -4.153 1.543 -1.004 . . . 1.0 . . . . . . . . . . . . A . 16 MVA HA . . . . . . . . . c30498_6e5j 1 . 8 . 3421 . 1 1 16 MVA HB H -4.043 -0.637 -0.058 . . . 1.0 . . . . . . . . . . . . A . 16 MVA HB . . . . . . . . . c30498_6e5j 1 . 8 . 3422 . 1 1 16 MVA HG11 H -3.009 -2.538 -1.183 . . . 1.0 . . . . . . . . . . . . A . 16 MVA HG11 . . . . . . . . . c30498_6e5j 1 . 8 . 3423 . 1 1 16 MVA HG12 H -2.854 -1.585 -2.657 . . . 1.0 . . . . . . . . . . . . A . 16 MVA HG12 . . . . . . . . . c30498_6e5j 1 . 8 . 3424 . 1 1 16 MVA HG13 H -4.454 -1.989 -2.032 . . . 1.0 . . . . . . . . . . . . A . 16 MVA HG13 . . . . . . . . . c30498_6e5j 1 . 8 . 3425 . 1 1 16 MVA HG21 H -2.055 0.739 0.180 . . . 1.0 . . . . . . . . . . . . A . 16 MVA HG21 . . . . . . . . . c30498_6e5j 1 . 8 . 3426 . 1 1 16 MVA HG22 H -1.402 0.084 -1.323 . . . 1.0 . . . . . . . . . . . . A . 16 MVA HG22 . . . . . . . . . c30498_6e5j 1 . 8 . 3427 . 1 1 16 MVA HG23 H -1.619 -0.967 0.077 . . . 1.0 . . . . . . . . . . . . A . 16 MVA HG23 . . . . . . . . . c30498_6e5j 1 . 8 . 3428 . 1 1 16 MVA HN1 H -6.356 0.631 -4.091 . . . 1.0 . . . . . . . . . . . . A . 16 MVA HN1 . . . . . . . . . c30498_6e5j 1 . 8 . 3429 . 1 1 16 MVA HN2 H -5.805 -1.009 -3.745 . . . 1.0 . . . . . . . . . . . . A . 16 MVA HN2 . . . . . . . . . c30498_6e5j 1 . 8 . 3430 . 1 1 16 MVA HN3 H -4.643 0.237 -4.198 . . . 1.0 . . . . . . . . . . . . A . 16 MVA HN3 . . . . . . . . . c30498_6e5j 1 . 8 . 3431 . 1 1 16 MVA N N -5.388 0.399 -2.239 . . . 1.0 . . . . . . . . . . . . A . 16 MVA N . . . . . . . . . c30498_6e5j 1 . 8 . 3432 . 1 1 16 MVA O O -2.622 0.453 -3.655 . . . 1.0 . . . . . . . . . . . . A . 16 MVA O . . . . . . . . . c30498_6e5j 1 . 8 . 3433 . 1 1 17 ARG C C -0.527 3.433 -2.891 . . . 1.0 . . . . . . . . . . . . A . 17 ARG C . . . . . . . . . c30498_6e5j 1 . 8 . 3434 . 1 1 17 ARG CA C -1.809 3.103 -3.637 . . . 1.0 . . . . . . . . . . . . A . 17 ARG CA . . . . . . . . . c30498_6e5j 1 . 8 . 3435 . 1 1 17 ARG CB C -2.402 4.366 -4.261 . . . 1.0 . . . . . . . . . . . . A . 17 ARG CB . . . . . . . . . c30498_6e5j 1 . 8 . 3436 . 1 1 17 ARG CD C -4.135 5.379 -5.773 . . . 1.0 . . . . . . . . . . . . A . 17 ARG CD . . . . . . . . . c30498_6e5j 1 . 8 . 3437 . 1 1 17 ARG CG C -3.627 4.103 -5.121 . . . 1.0 . . . . . . . . . . . . A . 17 ARG CG . . . . . . . . . c30498_6e5j 1 . 8 . 3438 . 1 1 17 ARG CZ C -5.594 5.867 -7.702 . . . 1.0 . . . . . . . . . . . . A . 17 ARG CZ . . . . . . . . . c30498_6e5j 1 . 8 . 3439 . 1 1 17 ARG H H -3.144 3.036 -2.003 . . . 1.0 . . . . . . . . . . . . A . 17 ARG H . . . . . . . . . c30498_6e5j 1 . 8 . 3440 . 1 1 17 ARG HA H -1.586 2.389 -4.415 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HA . . . . . . . . . c30498_6e5j 1 . 8 . 3441 . 1 1 17 ARG HB2 H -2.683 5.045 -3.470 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HB2 . . . . . . . . . c30498_6e5j 1 . 8 . 3442 . 1 1 17 ARG HB3 H -1.651 4.837 -4.876 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HB3 . . . . . . . . . c30498_6e5j 1 . 8 . 3443 . 1 1 17 ARG HD2 H -4.409 6.079 -4.998 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HD2 . . . . . . . . . c30498_6e5j 1 . 8 . 3444 . 1 1 17 ARG HD3 H -3.341 5.802 -6.373 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HD3 . . . . . . . . . c30498_6e5j 1 . 8 . 3445 . 1 1 17 ARG HE H -5.899 4.397 -6.380 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HE . . . . . . . . . c30498_6e5j 1 . 8 . 3446 . 1 1 17 ARG HG2 H -3.366 3.394 -5.893 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HG2 . . . . . . . . . c30498_6e5j 1 . 8 . 3447 . 1 1 17 ARG HG3 H -4.407 3.690 -4.498 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HG3 . . . . . . . . . c30498_6e5j 1 . 8 . 3448 . 1 1 17 ARG HH11 H -3.991 7.096 -7.527 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HH11 . . . . . . . . . c30498_6e5j 1 . 8 . 3449 . 1 1 17 ARG HH12 H -5.033 7.430 -8.870 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HH12 . . . . . . . . . c30498_6e5j 1 . 8 . 3450 . 1 1 17 ARG HH21 H -6.902 6.129 -9.230 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HH21 . . . . . . . . . c30498_6e5j 1 . 8 . 3451 . 1 1 17 ARG HH22 H -7.279 4.828 -8.144 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HH22 . . . . . . . . . c30498_6e5j 1 . 8 . 3452 . 1 1 17 ARG N N -2.753 2.491 -2.722 . . . 1.0 . . . . . . . . . . . . A . 17 ARG N . . . . . . . . . c30498_6e5j 1 . 8 . 3453 . 1 1 17 ARG NE N -5.299 5.140 -6.628 . . . 1.0 . . . . . . . . . . . . A . 17 ARG NE . . . . . . . . . c30498_6e5j 1 . 8 . 3454 . 1 1 17 ARG NH1 N -4.808 6.878 -8.062 . . . 1.0 . . . . . . . . . . . . A . 17 ARG NH1 . . . . . . . . . c30498_6e5j 1 . 8 . 3455 . 1 1 17 ARG NH2 N -6.675 5.585 -8.416 . . . 1.0 . . . . . . . . . . . . A . 17 ARG NH2 . . . . . . . . . c30498_6e5j 1 . 8 . 3456 . 1 1 17 ARG O O -0.518 3.499 -1.663 . . . 1.0 . . . . . . . . . . . . A . 17 ARG O . . . . . . . . . c30498_6e5j 1 . 8 . 3457 . 1 1 18 CYS C C 2.603 4.998 -3.658 . . . 1.0 . . . . . . . . . . . . A . 18 CYS C . . . . . . . . . c30498_6e5j 1 . 8 . 3458 . 1 1 18 CYS CA C 1.838 3.859 -2.991 . . . 1.0 . . . . . . . . . . . . A . 18 CYS CA . . . . . . . . . c30498_6e5j 1 . 8 . 3459 . 1 1 18 CYS CB C 2.659 2.572 -3.042 . . . 1.0 . . . . . . . . . . . . A . 18 CYS CB . . . . . . . . . c30498_6e5j 1 . 8 . 3460 . 1 1 18 CYS H H 0.479 3.643 -4.598 . . . 1.0 . . . . . . . . . . . . A . 18 CYS H . . . . . . . . . c30498_6e5j 1 . 8 . 3461 . 1 1 18 CYS HA H 1.658 4.115 -1.957 . . . 1.0 . . . . . . . . . . . . A . 18 CYS HA . . . . . . . . . c30498_6e5j 1 . 8 . 3462 . 1 1 18 CYS HB2 H 3.621 2.746 -2.583 . . . 1.0 . . . . . . . . . . . . A . 18 CYS HB2 . . . . . . . . . c30498_6e5j 1 . 8 . 3463 . 1 1 18 CYS HB3 H 2.134 1.805 -2.493 . . . 1.0 . . . . . . . . . . . . A . 18 CYS HB3 . . . . . . . . . c30498_6e5j 1 . 8 . 3464 . 1 1 18 CYS N N 0.550 3.640 -3.620 . . . 1.0 . . . . . . . . . . . . A . 18 CYS N . . . . . . . . . c30498_6e5j 1 . 8 . 3465 . 1 1 18 CYS O O 2.656 5.096 -4.888 . . . 1.0 . . . . . . . . . . . . A . 18 CYS O . . . . . . . . . c30498_6e5j 1 . 8 . 3466 . 1 1 18 CYS SG S 2.952 1.947 -4.728 . . . 1.0 . . . . . . . . . . . . A . 18 CYS SG . . . . . . . . . c30498_6e5j 1 . 8 . 3467 . 1 1 19 ASP C C 5.352 6.886 -2.545 . . . 1.0 . . . . . . . . . . . . A . 19 ASP C . . . . . . . . . c30498_6e5j 1 . 8 . 3468 . 1 1 19 ASP CA C 4.031 6.938 -3.302 . . . 1.0 . . . . . . . . . . . . A . 19 ASP CA . . . . . . . . . c30498_6e5j 1 . 8 . 3469 . 1 1 19 ASP CB C 3.347 8.292 -3.083 . . . 1.0 . . . . . . . . . . . . A . 19 ASP CB . . . . . . . . . c30498_6e5j 1 . 8 . 3470 . 1 1 19 ASP CG C 4.148 9.451 -3.648 . . . 1.0 . . . . . . . . . . . . A . 19 ASP CG . . . . . . . . . c30498_6e5j 1 . 8 . 3471 . 1 1 19 ASP H H 3.052 5.746 -1.868 . . . 1.0 . . . . . . . . . . . . A . 19 ASP H . . . . . . . . . c30498_6e5j 1 . 8 . 3472 . 1 1 19 ASP HA H 4.217 6.793 -4.356 . . . 1.0 . . . . . . . . . . . . A . 19 ASP HA . . . . . . . . . c30498_6e5j 1 . 8 . 3473 . 1 1 19 ASP HB2 H 2.379 8.279 -3.562 . . . 1.0 . . . . . . . . . . . . A . 19 ASP HB2 . . . . . . . . . c30498_6e5j 1 . 8 . 3474 . 1 1 19 ASP HB3 H 3.215 8.452 -2.023 . . . 1.0 . . . . . . . . . . . . A . 19 ASP HB3 . . . . . . . . . c30498_6e5j 1 . 8 . 3475 . 1 1 19 ASP N N 3.185 5.853 -2.835 . . . 1.0 . . . . . . . . . . . . A . 19 ASP N . . . . . . . . . c30498_6e5j 1 . 8 . 3476 . 1 1 19 ASP O O 5.507 7.526 -1.504 . . . 1.0 . . . . . . . . . . . . A . 19 ASP O . . . . . . . . . c30498_6e5j 1 . 8 . 3477 . 1 1 19 ASP OD1 O 4.931 10.060 -2.890 . . . 1.0 . . . . . . . . . . . . A . 19 ASP OD1 . . . . . . . . . c30498_6e5j 1 . 8 . 3478 . 1 1 19 ASP OD2 O 4.010 9.754 -4.852 . . . 1.0 . . . . . . . . . . . . A . 19 ASP OD2 . . . . . . . . . c30498_6e5j 1 . 8 . 3479 . 1 1 20 DPR C C 7.358 5.254 -0.971 . . . 1.0 . . . . . . . . . . . . A . 20 DPR C . . . . . . . . . c30498_6e5j 1 . 8 . 3480 . 1 1 20 DPR CA C 7.581 5.863 -2.354 . . . 1.0 . . . . . . . . . . . . A . 20 DPR CA . . . . . . . . . c30498_6e5j 1 . 8 . 3481 . 1 1 20 DPR CB C 8.324 4.876 -3.255 . . . 1.0 . . . . . . . . . . . . A . 20 DPR CB . . . . . . . . . c30498_6e5j 1 . 8 . 3482 . 1 1 20 DPR CD C 6.247 5.377 -4.326 . . . 1.0 . . . . . . . . . . . . A . 20 DPR CD . . . . . . . . . c30498_6e5j 1 . 8 . 3483 . 1 1 20 DPR CG C 7.678 5.009 -4.589 . . . 1.0 . . . . . . . . . . . . A . 20 DPR CG . . . . . . . . . c30498_6e5j 1 . 8 . 3484 . 1 1 20 DPR HA H 8.159 6.766 -2.262 . . . 1.0 . . . . . . . . . . . . A . 20 DPR HA . . . . . . . . . c30498_6e5j 1 . 8 . 3485 . 1 1 20 DPR HB2 H 8.213 3.876 -2.864 . . . 1.0 . . . . . . . . . . . . A . 20 DPR HB2 . . . . . . . . . c30498_6e5j 1 . 8 . 3486 . 1 1 20 DPR HB3 H 9.369 5.139 -3.294 . . . 1.0 . . . . . . . . . . . . A . 20 DPR HB3 . . . . . . . . . c30498_6e5j 1 . 8 . 3487 . 1 1 20 DPR HD2 H 5.637 4.491 -4.238 . . . 1.0 . . . . . . . . . . . . A . 20 DPR HD2 . . . . . . . . . c30498_6e5j 1 . 8 . 3488 . 1 1 20 DPR HD3 H 5.875 6.018 -5.109 . . . 1.0 . . . . . . . . . . . . A . 20 DPR HD3 . . . . . . . . . c30498_6e5j 1 . 8 . 3489 . 1 1 20 DPR HG2 H 7.731 4.070 -5.117 . . . 1.0 . . . . . . . . . . . . A . 20 DPR HG2 . . . . . . . . . c30498_6e5j 1 . 8 . 3490 . 1 1 20 DPR HG3 H 8.167 5.786 -5.157 . . . 1.0 . . . . . . . . . . . . A . 20 DPR HG3 . . . . . . . . . c30498_6e5j 1 . 8 . 3491 . 1 1 20 DPR N N 6.313 6.097 -3.046 . . . 1.0 . . . . . . . . . . . . A . 20 DPR N . . . . . . . . . c30498_6e5j 1 . 8 . 3492 . 1 1 20 DPR O O 6.830 4.146 -0.849 . . . 1.0 . . . . . . . . . . . . A . 20 DPR O . . . . . . . . . c30498_6e5j 1 . 8 . 3493 . 1 1 21 PRO C C 6.163 5.819 1.991 . . . 1.0 . . . . . . . . . . . . A . 21 PRO C . . . . . . . . . c30498_6e5j 1 . 8 . 3494 . 1 1 21 PRO CA C 7.567 5.526 1.464 . . . 1.0 . . . . . . . . . . . . A . 21 PRO CA . . . . . . . . . c30498_6e5j 1 . 8 . 3495 . 1 1 21 PRO CB C 8.603 6.347 2.224 . . . 1.0 . . . . . . . . . . . . A . 21 PRO CB . . . . . . . . . c30498_6e5j 1 . 8 . 3496 . 1 1 21 PRO CD C 8.440 7.277 0.020 . . . 1.0 . . . . . . . . . . . . A . 21 PRO CD . . . . . . . . . c30498_6e5j 1 . 8 . 3497 . 1 1 21 PRO CG C 8.683 7.627 1.465 . . . 1.0 . . . . . . . . . . . . A . 21 PRO CG . . . . . . . . . c30498_6e5j 1 . 8 . 3498 . 1 1 21 PRO HA H 7.784 4.475 1.573 . . . 1.0 . . . . . . . . . . . . A . 21 PRO HA . . . . . . . . . c30498_6e5j 1 . 8 . 3499 . 1 1 21 PRO HB2 H 8.269 6.506 3.239 . . . 1.0 . . . . . . . . . . . . A . 21 PRO HB2 . . . . . . . . . c30498_6e5j 1 . 8 . 3500 . 1 1 21 PRO HB3 H 9.551 5.830 2.225 . . . 1.0 . . . . . . . . . . . . A . 21 PRO HB3 . . . . . . . . . c30498_6e5j 1 . 8 . 3501 . 1 1 21 PRO HD2 H 7.810 8.017 -0.448 . . . 1.0 . . . . . . . . . . . . A . 21 PRO HD2 . . . . . . . . . c30498_6e5j 1 . 8 . 3502 . 1 1 21 PRO HD3 H 9.376 7.189 -0.509 . . . 1.0 . . . . . . . . . . . . A . 21 PRO HD3 . . . . . . . . . c30498_6e5j 1 . 8 . 3503 . 1 1 21 PRO HG2 H 7.924 8.310 1.817 . . . 1.0 . . . . . . . . . . . . A . 21 PRO HG2 . . . . . . . . . c30498_6e5j 1 . 8 . 3504 . 1 1 21 PRO HG3 H 9.663 8.063 1.584 . . . 1.0 . . . . . . . . . . . . A . 21 PRO HG3 . . . . . . . . . c30498_6e5j 1 . 8 . 3505 . 1 1 21 PRO N N 7.753 5.974 0.086 . . . 1.0 . . . . . . . . . . . . A . 21 PRO N . . . . . . . . . c30498_6e5j 1 . 8 . 3506 . 1 1 21 PRO O O 5.841 5.500 3.136 . . . 1.0 . . . . . . . . . . . . A . 21 PRO O . . . . . . . . . c30498_6e5j 1 . 8 . 3507 . 1 1 22 ARG C C 2.997 5.756 0.996 . . . 1.0 . . . . . . . . . . . . A . 22 ARG C . . . . . . . . . c30498_6e5j 1 . 8 . 3508 . 1 1 22 ARG CA C 3.973 6.771 1.558 . . . 1.0 . . . . . . . . . . . . A . 22 ARG CA . . . . . . . . . c30498_6e5j 1 . 8 . 3509 . 1 1 22 ARG CB C 3.592 8.174 1.083 . . . 1.0 . . . . . . . . . . . . A . 22 ARG CB . . . . . . . . . c30498_6e5j 1 . 8 . 3510 . 1 1 22 ARG CD C 4.726 9.267 3.041 . . . 1.0 . . . . . . . . . . . . A . 22 ARG CD . . . . . . . . . c30498_6e5j 1 . 8 . 3511 . 1 1 22 ARG CG C 4.558 9.253 1.532 . . . 1.0 . . . . . . . . . . . . A . 22 ARG CG . . . . . . . . . c30498_6e5j 1 . 8 . 3512 . 1 1 22 ARG CZ C 6.328 10.224 4.654 . . . 1.0 . . . . . . . . . . . . A . 22 ARG CZ . . . . . . . . . c30498_6e5j 1 . 8 . 3513 . 1 1 22 ARG H H 5.636 6.661 0.248 . . . 1.0 . . . . . . . . . . . . A . 22 ARG H . . . . . . . . . c30498_6e5j 1 . 8 . 3514 . 1 1 22 ARG HA H 3.926 6.737 2.636 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HA . . . . . . . . . c30498_6e5j 1 . 8 . 3515 . 1 1 22 ARG HB2 H 3.561 8.177 0.004 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HB2 . . . . . . . . . c30498_6e5j 1 . 8 . 3516 . 1 1 22 ARG HB3 H 2.611 8.418 1.463 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HB3 . . . . . . . . . c30498_6e5j 1 . 8 . 3517 . 1 1 22 ARG HD2 H 3.779 9.514 3.497 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HD2 . . . . . . . . . c30498_6e5j 1 . 8 . 3518 . 1 1 22 ARG HD3 H 5.035 8.283 3.365 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HD3 . . . . . . . . . c30498_6e5j 1 . 8 . 3519 . 1 1 22 ARG HE H 5.968 10.946 2.821 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HE . . . . . . . . . c30498_6e5j 1 . 8 . 3520 . 1 1 22 ARG HG2 H 5.520 9.073 1.075 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HG2 . . . . . . . . . c30498_6e5j 1 . 8 . 3521 . 1 1 22 ARG HG3 H 4.180 10.212 1.212 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HG3 . . . . . . . . . c30498_6e5j 1 . 8 . 3522 . 1 1 22 ARG HH11 H 6.479 9.268 6.440 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HH11 . . . . . . . . . c30498_6e5j 1 . 8 . 3523 . 1 1 22 ARG HH12 H 5.341 8.580 5.326 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HH12 . . . . . . . . . c30498_6e5j 1 . 8 . 3524 . 1 1 22 ARG HH21 H 7.694 11.137 5.841 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HH21 . . . . . . . . . c30498_6e5j 1 . 8 . 3525 . 1 1 22 ARG HH22 H 7.471 11.857 4.277 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HH22 . . . . . . . . . c30498_6e5j 1 . 8 . 3526 . 1 1 22 ARG N N 5.332 6.436 1.159 . . . 1.0 . . . . . . . . . . . . A . 22 ARG N . . . . . . . . . c30498_6e5j 1 . 8 . 3527 . 1 1 22 ARG NE N 5.727 10.241 3.465 . . . 1.0 . . . . . . . . . . . . A . 22 ARG NE . . . . . . . . . c30498_6e5j 1 . 8 . 3528 . 1 1 22 ARG NH1 N 6.026 9.282 5.545 . . . 1.0 . . . . . . . . . . . . A . 22 ARG NH1 . . . . . . . . . c30498_6e5j 1 . 8 . 3529 . 1 1 22 ARG NH2 N 7.237 11.146 4.948 . . . 1.0 . . . . . . . . . . . . A . 22 ARG NH2 . . . . . . . . . c30498_6e5j 1 . 8 . 3530 . 1 1 22 ARG O O 3.167 5.272 -0.123 . . . 1.0 . . . . . . . . . . . . A . 22 ARG O . . . . . . . . . c30498_6e5j 1 . 8 . 3531 . 1 1 23 TYR C C -0.409 4.904 1.674 . . . 1.0 . . . . . . . . . . . . A . 23 TYR C . . . . . . . . . c30498_6e5j 1 . 8 . 3532 . 1 1 23 TYR CA C 1.004 4.437 1.363 . . . 1.0 . . . . . . . . . . . . A . 23 TYR CA . . . . . . . . . c30498_6e5j 1 . 8 . 3533 . 1 1 23 TYR CB C 1.271 3.108 2.067 . . . 1.0 . . . . . . . . . . . . A . 23 TYR CB . . . . . . . . . c30498_6e5j 1 . 8 . 3534 . 1 1 23 TYR CD1 C 3.640 2.725 2.834 . . . 1.0 . . . . . . . . . . . . A . 23 TYR CD1 . . . . . . . . . c30498_6e5j 1 . 8 . 3535 . 1 1 23 TYR CD2 C 3.016 1.946 0.672 . . . 1.0 . . . . . . . . . . . . A . 23 TYR CD2 . . . . . . . . . c30498_6e5j 1 . 8 . 3536 . 1 1 23 TYR CE1 C 4.919 2.243 2.643 . . . 1.0 . . . . . . . . . . . . A . 23 TYR CE1 . . . . . . . . . c30498_6e5j 1 . 8 . 3537 . 1 1 23 TYR CE2 C 4.293 1.463 0.473 . . . 1.0 . . . . . . . . . . . . A . 23 TYR CE2 . . . . . . . . . c30498_6e5j 1 . 8 . 3538 . 1 1 23 TYR CG C 2.669 2.582 1.854 . . . 1.0 . . . . . . . . . . . . A . 23 TYR CG . . . . . . . . . c30498_6e5j 1 . 8 . 3539 . 1 1 23 TYR CZ C 5.241 1.613 1.462 . . . 1.0 . . . . . . . . . . . . A . 23 TYR CZ . . . . . . . . . c30498_6e5j 1 . 8 . 3540 . 1 1 23 TYR H H 1.877 5.871 2.641 . . . 1.0 . . . . . . . . . . . . A . 23 TYR H . . . . . . . . . c30498_6e5j 1 . 8 . 3541 . 1 1 23 TYR HA H 1.100 4.293 0.298 . . . 1.0 . . . . . . . . . . . . A . 23 TYR HA . . . . . . . . . c30498_6e5j 1 . 8 . 3542 . 1 1 23 TYR HB2 H 1.121 3.234 3.128 . . . 1.0 . . . . . . . . . . . . A . 23 TYR HB2 . . . . . . . . . c30498_6e5j 1 . 8 . 3543 . 1 1 23 TYR HB3 H 0.578 2.368 1.695 . . . 1.0 . . . . . . . . . . . . A . 23 TYR HB3 . . . . . . . . . c30498_6e5j 1 . 8 . 3544 . 1 1 23 TYR HD1 H 3.384 3.220 3.759 . . . 1.0 . . . . . . . . . . . . A . 23 TYR HD1 . . . . . . . . . c30498_6e5j 1 . 8 . 3545 . 1 1 23 TYR HD2 H 2.271 1.833 -0.102 . . . 1.0 . . . . . . . . . . . . A . 23 TYR HD2 . . . . . . . . . c30498_6e5j 1 . 8 . 3546 . 1 1 23 TYR HE1 H 5.661 2.365 3.417 . . . 1.0 . . . . . . . . . . . . A . 23 TYR HE1 . . . . . . . . . c30498_6e5j 1 . 8 . 3547 . 1 1 23 TYR HE2 H 4.543 0.972 -0.451 . . . 1.0 . . . . . . . . . . . . A . 23 TYR HE2 . . . . . . . . . c30498_6e5j 1 . 8 . 3548 . 1 1 23 TYR HH H 6.784 0.631 2.056 . . . 1.0 . . . . . . . . . . . . A . 23 TYR HH . . . . . . . . . c30498_6e5j 1 . 8 . 3549 . 1 1 23 TYR N N 1.979 5.430 1.771 . . . 1.0 . . . . . . . . . . . . A . 23 TYR N . . . . . . . . . c30498_6e5j 1 . 8 . 3550 . 1 1 23 TYR O O -0.712 5.303 2.800 . . . 1.0 . . . . . . . . . . . . A . 23 TYR O . . . . . . . . . c30498_6e5j 1 . 8 . 3551 . 1 1 23 TYR OH O 6.513 1.124 1.270 . . . 1.0 . . . . . . . . . . . . A . 23 TYR OH . . . . . . . . . c30498_6e5j 1 . 8 . 3552 . 1 1 24 GLU C C -3.476 3.888 0.844 . . . 1.0 . . . . . . . . . . . . A . 24 GLU C . . . . . . . . . c30498_6e5j 1 . 8 . 3553 . 1 1 24 GLU CA C -2.663 5.173 0.836 . . . 1.0 . . . . . . . . . . . . A . 24 GLU CA . . . . . . . . . c30498_6e5j 1 . 8 . 3554 . 1 1 24 GLU CB C -3.149 6.093 -0.285 . . . 1.0 . . . . . . . . . . . . A . 24 GLU CB . . . . . . . . . c30498_6e5j 1 . 8 . 3555 . 1 1 24 GLU CD C -3.462 8.080 1.222 . . . 1.0 . . . . . . . . . . . . A . 24 GLU CD . . . . . . . . . c30498_6e5j 1 . 8 . 3556 . 1 1 24 GLU CG C -2.827 7.557 -0.048 . . . 1.0 . . . . . . . . . . . . A . 24 GLU CG . . . . . . . . . c30498_6e5j 1 . 8 . 3557 . 1 1 24 GLU H H -0.939 4.570 -0.214 . . . 1.0 . . . . . . . . . . . . A . 24 GLU H . . . . . . . . . c30498_6e5j 1 . 8 . 3558 . 1 1 24 GLU HA H -2.780 5.673 1.783 . . . 1.0 . . . . . . . . . . . . A . 24 GLU HA . . . . . . . . . c30498_6e5j 1 . 8 . 3559 . 1 1 24 GLU HB2 H -2.684 5.791 -1.211 . . . 1.0 . . . . . . . . . . . . A . 24 GLU HB2 . . . . . . . . . c30498_6e5j 1 . 8 . 3560 . 1 1 24 GLU HB3 H -4.218 5.993 -0.380 . . . 1.0 . . . . . . . . . . . . A . 24 GLU HB3 . . . . . . . . . c30498_6e5j 1 . 8 . 3561 . 1 1 24 GLU HG2 H -1.755 7.670 0.029 . . . 1.0 . . . . . . . . . . . . A . 24 GLU HG2 . . . . . . . . . c30498_6e5j 1 . 8 . 3562 . 1 1 24 GLU HG3 H -3.192 8.134 -0.884 . . . 1.0 . . . . . . . . . . . . A . 24 GLU HG3 . . . . . . . . . c30498_6e5j 1 . 8 . 3563 . 1 1 24 GLU N N -1.260 4.854 0.670 . . . 1.0 . . . . . . . . . . . . A . 24 GLU N . . . . . . . . . c30498_6e5j 1 . 8 . 3564 . 1 1 24 GLU O O -3.391 3.102 -0.092 . . . 1.0 . . . . . . . . . . . . A . 24 GLU O . . . . . . . . . c30498_6e5j 1 . 8 . 3565 . 1 1 24 GLU OE1 O -4.712 8.082 1.316 . . . 1.0 . . . . . . . . . . . . A . 24 GLU OE1 . . . . . . . . . c30498_6e5j 1 . 8 . 3566 . 1 1 24 GLU OE2 O -2.719 8.500 2.135 . . . 1.0 . . . . . . . . . . . . A . 24 GLU OE2 . . . . . . . . . c30498_6e5j 1 . 8 . 3567 . 1 1 25 MVA C C -6.428 2.592 2.563 . . . 1.0 . . . . . . . . . . . . A . 25 MVA C . . . . . . . . . c30498_6e5j 1 . 8 . 3568 . 1 1 25 MVA CA C -5.027 2.389 1.978 . . . 1.0 . . . . . . . . . . . . A . 25 MVA CA . . . . . . . . . c30498_6e5j 1 . 8 . 3569 . 1 1 25 MVA CB C -4.251 1.293 2.770 . . . 1.0 . . . . . . . . . . . . A . 25 MVA CB . . . . . . . . . c30498_6e5j 1 . 8 . 3570 . 1 1 25 MVA CG1 C -3.873 1.739 4.176 . . . 1.0 . . . . . . . . . . . . A . 25 MVA CG1 . . . . . . . . . c30498_6e5j 1 . 8 . 3571 . 1 1 25 MVA CG2 C -5.054 0.006 2.820 . . . 1.0 . . . . . . . . . . . . A . 25 MVA CG2 . . . . . . . . . c30498_6e5j 1 . 8 . 3572 . 1 1 25 MVA CN C -4.428 4.687 2.934 . . . 1.0 . . . . . . . . . . . . A . 25 MVA CN . . . . . . . . . c30498_6e5j 1 . 8 . 3573 . 1 1 25 MVA HA H -5.166 2.002 0.976 . . . 1.0 . . . . . . . . . . . . A . 25 MVA HA . . . . . . . . . c30498_6e5j 1 . 8 . 3574 . 1 1 25 MVA HB H -3.334 1.087 2.235 . . . 1.0 . . . . . . . . . . . . A . 25 MVA HB . . . . . . . . . c30498_6e5j 1 . 8 . 3575 . 1 1 25 MVA HG11 H -3.366 0.932 4.685 . . . 1.0 . . . . . . . . . . . . A . 25 MVA HG11 . . . . . . . . . c30498_6e5j 1 . 8 . 3576 . 1 1 25 MVA HG12 H -4.766 2.005 4.721 . . . 1.0 . . . . . . . . . . . . A . 25 MVA HG12 . . . . . . . . . c30498_6e5j 1 . 8 . 3577 . 1 1 25 MVA HG13 H -3.218 2.596 4.117 . . . 1.0 . . . . . . . . . . . . A . 25 MVA HG13 . . . . . . . . . c30498_6e5j 1 . 8 . 3578 . 1 1 25 MVA HG21 H -5.245 -0.339 1.814 . . . 1.0 . . . . . . . . . . . . A . 25 MVA HG21 . . . . . . . . . c30498_6e5j 1 . 8 . 3579 . 1 1 25 MVA HG22 H -5.993 0.187 3.322 . . . 1.0 . . . . . . . . . . . . A . 25 MVA HG22 . . . . . . . . . c30498_6e5j 1 . 8 . 3580 . 1 1 25 MVA HG23 H -4.497 -0.746 3.358 . . . 1.0 . . . . . . . . . . . . A . 25 MVA HG23 . . . . . . . . . c30498_6e5j 1 . 8 . 3581 . 1 1 25 MVA HN1 H -3.496 4.807 3.465 . . . 1.0 . . . . . . . . . . . . A . 25 MVA HN1 . . . . . . . . . c30498_6e5j 1 . 8 . 3582 . 1 1 25 MVA HN2 H -5.201 4.386 3.626 . . . 1.0 . . . . . . . . . . . . A . 25 MVA HN2 . . . . . . . . . c30498_6e5j 1 . 8 . 3583 . 1 1 25 MVA HN3 H -4.701 5.624 2.472 . . . 1.0 . . . . . . . . . . . . A . 25 MVA HN3 . . . . . . . . . c30498_6e5j 1 . 8 . 3584 . 1 1 25 MVA N N -4.273 3.650 1.890 . . . 1.0 . . . . . . . . . . . . A . 25 MVA N . . . . . . . . . c30498_6e5j 1 . 8 . 3585 . 1 1 25 MVA O O -6.611 2.873 3.749 . . . 1.0 . . . . . . . . . . . . A . 25 MVA O . . . . . . . . . c30498_6e5j 1 . 8 . 3586 . 1 1 26 HIS C C -9.638 1.454 1.847 . . . 1.0 . . . . . . . . . . . . A . 26 HIS C . . . . . . . . . c30498_6e5j 1 . 8 . 3587 . 1 1 26 HIS CA C -8.799 2.707 2.055 . . . 1.0 . . . . . . . . . . . . A . 26 HIS CA . . . . . . . . . c30498_6e5j 1 . 8 . 3588 . 1 1 26 HIS CB C -9.352 3.861 1.210 . . . 1.0 . . . . . . . . . . . . A . 26 HIS CB . . . . . . . . . c30498_6e5j 1 . 8 . 3589 . 1 1 26 HIS CD2 C -7.483 5.579 0.637 . . . 1.0 . . . . . . . . . . . . A . 26 HIS CD2 . . . . . . . . . c30498_6e5j 1 . 8 . 3590 . 1 1 26 HIS CE1 C -7.991 7.111 2.114 . . . 1.0 . . . . . . . . . . . . A . 26 HIS CE1 . . . . . . . . . c30498_6e5j 1 . 8 . 3591 . 1 1 26 HIS CG C -8.564 5.136 1.326 . . . 1.0 . . . . . . . . . . . . A . 26 HIS CG . . . . . . . . . c30498_6e5j 1 . 8 . 3592 . 1 1 26 HIS H H -7.212 2.102 0.799 . . . 1.0 . . . . . . . . . . . . A . 26 HIS H . . . . . . . . . c30498_6e5j 1 . 8 . 3593 . 1 1 26 HIS HA H -8.831 2.983 3.098 . . . 1.0 . . . . . . . . . . . . A . 26 HIS HA . . . . . . . . . c30498_6e5j 1 . 8 . 3594 . 1 1 26 HIS HB2 H -9.354 3.564 0.173 . . . 1.0 . . . . . . . . . . . . A . 26 HIS HB2 . . . . . . . . . c30498_6e5j 1 . 8 . 3595 . 1 1 26 HIS HB3 H -10.365 4.067 1.518 . . . 1.0 . . . . . . . . . . . . A . 26 HIS HB3 . . . . . . . . . c30498_6e5j 1 . 8 . 3596 . 1 1 26 HIS HD1 H -9.594 6.104 2.889 . . . 1.0 . . . . . . . . . . . . A . 26 HIS HD1 . . . . . . . . . c30498_6e5j 1 . 8 . 3597 . 1 1 26 HIS HD2 H -6.984 5.063 -0.170 . . . 1.0 . . . . . . . . . . . . A . 26 HIS HD2 . . . . . . . . . c30498_6e5j 1 . 8 . 3598 . 1 1 26 HIS HE1 H -7.979 8.018 2.700 . . . 1.0 . . . . . . . . . . . . A . 26 HIS HE1 . . . . . . . . . c30498_6e5j 1 . 8 . 3599 . 1 1 26 HIS HE2 H -6.303 7.294 0.961 . . . 1.0 . . . . . . . . . . . . A . 26 HIS HE2 . . . . . . . . . c30498_6e5j 1 . 8 . 3600 . 1 1 26 HIS N N -7.418 2.439 1.702 . . . 1.0 . . . . . . . . . . . . A . 26 HIS N . . . . . . . . . c30498_6e5j 1 . 8 . 3601 . 1 1 26 HIS ND1 N -8.856 6.122 2.242 . . . 1.0 . . . . . . . . . . . . A . 26 HIS ND1 . . . . . . . . . c30498_6e5j 1 . 8 . 3602 . 1 1 26 HIS NE2 N -7.145 6.807 1.150 . . . 1.0 . . . . . . . . . . . . A . 26 HIS NE2 . . . . . . . . . c30498_6e5j 1 . 8 . 3603 . 1 1 26 HIS O O -9.817 0.987 0.718 . . . 1.0 . . . . . . . . . . . . A . 26 HIS O . . . . . . . . . c30498_6e5j 1 . 8 . 3604 . 1 1 27 CYS C C -12.386 -0.010 2.995 . . . 1.0 . . . . . . . . . . . . A . 27 CYS C . . . . . . . . . c30498_6e5j 1 . 8 . 3605 . 1 1 27 CYS CA C -10.903 -0.326 2.883 . . . 1.0 . . . . . . . . . . . . A . 27 CYS CA . . . . . . . . . c30498_6e5j 1 . 8 . 3606 . 1 1 27 CYS CB C -10.478 -1.273 4.004 . . . 1.0 . . . . . . . . . . . . A . 27 CYS CB . . . . . . . . . c30498_6e5j 1 . 8 . 3607 . 1 1 27 CYS H H -9.955 1.313 3.810 . . . 1.0 . . . . . . . . . . . . A . 27 CYS H . . . . . . . . . c30498_6e5j 1 . 8 . 3608 . 1 1 27 CYS HA H -10.713 -0.800 1.930 . . . 1.0 . . . . . . . . . . . . A . 27 CYS HA . . . . . . . . . c30498_6e5j 1 . 8 . 3609 . 1 1 27 CYS HB2 H -10.739 -0.830 4.954 . . . 1.0 . . . . . . . . . . . . A . 27 CYS HB2 . . . . . . . . . c30498_6e5j 1 . 8 . 3610 . 1 1 27 CYS HB3 H -11.004 -2.207 3.893 . . . 1.0 . . . . . . . . . . . . A . 27 CYS HB3 . . . . . . . . . c30498_6e5j 1 . 8 . 3611 . 1 1 27 CYS N N -10.125 0.896 2.939 . . . 1.0 . . . . . . . . . . . . A . 27 CYS N . . . . . . . . . c30498_6e5j 1 . 8 . 3612 . 1 1 27 CYS O O -13.028 -0.312 4.003 . . . 1.0 . . . . . . . . . . . . A . 27 CYS O . . . . . . . . . c30498_6e5j 1 . 8 . 3613 . 1 1 27 CYS SG S -8.689 -1.638 4.034 . . . 1.0 . . . . . . . . . . . . A . 27 CYS SG . . . . . . . . . c30498_6e5j 1 . 8 . 3614 . 1 1 28 NH2 HN1 H -12.355 0.807 1.186 . . . 1.0 . . . . . . . . . . . . A . 28 NH2 HN1 . . . . . . . . . c30498_6e5j 1 . 8 . 3615 . 1 1 28 NH2 HN2 H -13.883 0.814 1.991 . . . 1.0 . . . . . . . . . . . . A . 28 NH2 HN2 . . . . . . . . . c30498_6e5j 1 . 8 . 3616 . 1 1 28 NH2 N N -12.929 0.597 1.954 . . . 1.0 . . . . . . . . . . . . A . 28 NH2 N . . . . . . . . . c30498_6e5j 1 . 9 . 3617 . 1 1 1 ASN C C 11.649 -4.052 0.495 . . . 1.0 . . . . . . . . . . . . A . 1 ASN C . . . . . . . . . c30498_6e5j 1 . 9 . 3618 . 1 1 1 ASN CA C 12.365 -4.309 1.813 . . . 1.0 . . . . . . . . . . . . A . 1 ASN CA . . . . . . . . . c30498_6e5j 1 . 9 . 3619 . 1 1 1 ASN CB C 11.361 -4.286 2.969 . . . 1.0 . . . . . . . . . . . . A . 1 ASN CB . . . . . . . . . c30498_6e5j 1 . 9 . 3620 . 1 1 1 ASN CG C 11.993 -4.687 4.284 . . . 1.0 . . . . . . . . . . . . A . 1 ASN CG . . . . . . . . . c30498_6e5j 1 . 9 . 3621 . 1 1 1 ASN H1 H 13.890 -3.447 2.942 . . . 1.0 . . . . . . . . . . . . A . 1 ASN H1 . . . . . . . . . c30498_6e5j 1 . 9 . 3622 . 1 1 1 ASN H2 H 13.006 -2.342 2.017 . . . 1.0 . . . . . . . . . . . . A . 1 ASN H2 . . . . . . . . . c30498_6e5j 1 . 9 . 3623 . 1 1 1 ASN H3 H 14.133 -3.353 1.271 . . . 1.0 . . . . . . . . . . . . A . 1 ASN H3 . . . . . . . . . c30498_6e5j 1 . 9 . 3624 . 1 1 1 ASN HA H 12.836 -5.279 1.771 . . . 1.0 . . . . . . . . . . . . A . 1 ASN HA . . . . . . . . . c30498_6e5j 1 . 9 . 3625 . 1 1 1 ASN HB2 H 10.962 -3.291 3.074 . . . 1.0 . . . . . . . . . . . . A . 1 ASN HB2 . . . . . . . . . c30498_6e5j 1 . 9 . 3626 . 1 1 1 ASN HB3 H 10.556 -4.973 2.753 . . . 1.0 . . . . . . . . . . . . A . 1 ASN HB3 . . . . . . . . . c30498_6e5j 1 . 9 . 3627 . 1 1 1 ASN HD21 H 10.734 -3.517 5.279 . . . 1.0 . . . . . . . . . . . . A . 1 ASN HD21 . . . . . . . . . c30498_6e5j 1 . 9 . 3628 . 1 1 1 ASN HD22 H 11.875 -4.392 6.241 . . . 1.0 . . . . . . . . . . . . A . 1 ASN HD22 . . . . . . . . . c30498_6e5j 1 . 9 . 3629 . 1 1 1 ASN N N 13.421 -3.294 2.028 . . . 1.0 . . . . . . . . . . . . A . 1 ASN N . . . . . . . . . c30498_6e5j 1 . 9 . 3630 . 1 1 1 ASN ND2 N 11.485 -4.143 5.375 . . . 1.0 . . . . . . . . . . . . A . 1 ASN ND2 . . . . . . . . . c30498_6e5j 1 . 9 . 3631 . 1 1 1 ASN O O 11.681 -2.938 -0.027 . . . 1.0 . . . . . . . . . . . . A . 1 ASN O . . . . . . . . . c30498_6e5j 1 . 9 . 3632 . 1 1 1 ASN OD1 O 12.937 -5.473 4.315 . . . 1.0 . . . . . . . . . . . . A . 1 ASN OD1 . . . . . . . . . c30498_6e5j 1 . 9 . 3633 . 1 1 2 ASP C C 8.810 -4.862 -1.117 . . . 1.0 . . . . . . . . . . . . A . 2 ASP C . . . . . . . . . c30498_6e5j 1 . 9 . 3634 . 1 1 2 ASP CA C 10.317 -4.979 -1.323 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CA . . . . . . . . . c30498_6e5j 1 . 9 . 3635 . 1 1 2 ASP CB C 10.640 -6.188 -2.212 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CB . . . . . . . . . c30498_6e5j 1 . 9 . 3636 . 1 1 2 ASP CG C 10.319 -7.517 -1.555 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CG . . . . . . . . . c30498_6e5j 1 . 9 . 3637 . 1 1 2 ASP H H 11.016 -5.947 0.427 . . . 1.0 . . . . . . . . . . . . A . 2 ASP H . . . . . . . . . c30498_6e5j 1 . 9 . 3638 . 1 1 2 ASP HA H 10.667 -4.082 -1.813 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HA . . . . . . . . . c30498_6e5j 1 . 9 . 3639 . 1 1 2 ASP HB2 H 10.069 -6.115 -3.123 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HB2 . . . . . . . . . c30498_6e5j 1 . 9 . 3640 . 1 1 2 ASP HB3 H 11.693 -6.172 -2.453 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HB3 . . . . . . . . . c30498_6e5j 1 . 9 . 3641 . 1 1 2 ASP N N 11.014 -5.085 -0.044 . . . 1.0 . . . . . . . . . . . . A . 2 ASP N . . . . . . . . . c30498_6e5j 1 . 9 . 3642 . 1 1 2 ASP O O 8.016 -5.349 -1.923 . . . 1.0 . . . . . . . . . . . . A . 2 ASP O . . . . . . . . . c30498_6e5j 1 . 9 . 3643 . 1 1 2 ASP OD1 O 9.261 -8.100 -1.873 . . . 1.0 . . . . . . . . . . . . A . 2 ASP OD1 . . . . . . . . . c30498_6e5j 1 . 9 . 3644 . 1 1 2 ASP OD2 O 11.107 -7.985 -0.714 . . . 1.0 . . . . . . . . . . . . A . 2 ASP OD2 . . . . . . . . . c30498_6e5j 1 . 9 . 3645 . 1 1 3 B3K C C 5.389 -2.472 -0.968 . . . 1.0 . . . . . . . . . . . . A . 3 B3K C . . . . . . . . . c30498_6e5j 1 . 9 . 3646 . 1 1 3 B3K CA C 6.592 -2.556 -0.056 . . . 1.0 . . . . . . . . . . . . A . 3 B3K CA . . . . . . . . . c30498_6e5j 1 . 9 . 3647 . 1 1 3 B3K CB C 7.009 -3.995 0.249 . . . 1.0 . . . . . . . . . . . . A . 3 B3K CB . . . . . . . . . c30498_6e5j 1 . 9 . 3648 . 1 1 3 B3K CD C 7.184 -5.656 2.190 . . . 1.0 . . . . . . . . . . . . A . 3 B3K CD . . . . . . . . . c30498_6e5j 1 . 9 . 3649 . 1 1 3 B3K CE C 6.867 -5.877 3.661 . . . 1.0 . . . . . . . . . . . . A . 3 B3K CE . . . . . . . . . c30498_6e5j 1 . 9 . 3650 . 1 1 3 B3K CF C 7.410 -7.207 4.162 . . . 1.0 . . . . . . . . . . . . A . 3 B3K CF . . . . . . . . . c30498_6e5j 1 . 9 . 3651 . 1 1 3 B3K CG C 6.725 -4.283 1.727 . . . 1.0 . . . . . . . . . . . . A . 3 B3K CG . . . . . . . . . c30498_6e5j 1 . 9 . 3652 . 1 1 3 B3K H H 9.093 -3.789 0.545 . . . 1.0 . . . . . . . . . . . . A . 3 B3K H . . . . . . . . . c30498_6e5j 1 . 9 . 3653 . 1 1 3 B3K HA1 H 6.352 -2.058 0.871 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HA1 . . . . . . . . . c30498_6e5j 1 . 9 . 3654 . 1 1 3 B3K HA2 H 7.416 -2.042 -0.533 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HA2 . . . . . . . . . c30498_6e5j 1 . 9 . 3655 . 1 1 3 B3K HB H 6.444 -4.675 -0.384 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HB . . . . . . . . . c30498_6e5j 1 . 9 . 3656 . 1 1 3 B3K HD2 H 8.252 -5.737 2.045 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HD2 . . . . . . . . . c30498_6e5j 1 . 9 . 3657 . 1 1 3 B3K HD3 H 6.680 -6.409 1.607 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HD3 . . . . . . . . . c30498_6e5j 1 . 9 . 3658 . 1 1 3 B3K HE2 H 5.795 -5.864 3.794 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HE2 . . . . . . . . . c30498_6e5j 1 . 9 . 3659 . 1 1 3 B3K HE3 H 7.311 -5.081 4.239 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HE3 . . . . . . . . . c30498_6e5j 1 . 9 . 3660 . 1 1 3 B3K HF1 H 7.155 -7.314 5.206 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HF1 . . . . . . . . . c30498_6e5j 1 . 9 . 3661 . 1 1 3 B3K HF2 H 8.484 -7.207 4.054 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HF2 . . . . . . . . . c30498_6e5j 1 . 9 . 3662 . 1 1 3 B3K HG2 H 5.661 -4.207 1.895 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HG2 . . . . . . . . . c30498_6e5j 1 . 9 . 3663 . 1 1 3 B3K HG3 H 7.226 -3.538 2.327 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HG3 . . . . . . . . . c30498_6e5j 1 . 9 . 3664 . 1 1 3 B3K HNZ1 H 7.205 -9.254 3.801 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HNZ1 . . . . . . . . . c30498_6e5j 1 . 9 . 3665 . 1 1 3 B3K HNZ2 H 7.129 -8.302 2.408 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HNZ2 . . . . . . . . . c30498_6e5j 1 . 9 . 3666 . 1 1 3 B3K N N 8.418 -4.185 -0.047 . . . 1.0 . . . . . . . . . . . . A . 3 B3K N . . . . . . . . . c30498_6e5j 1 . 9 . 3667 . 1 1 3 B3K NZ N 6.850 -8.358 3.408 . . . 1.0 . . . . . . . . . . . . A . 3 B3K NZ . . . . . . . . . c30498_6e5j 1 . 9 . 3668 . 1 1 3 B3K O O 4.259 -2.773 -0.564 . . . 1.0 . . . . . . . . . . . . A . 3 B3K O . . . . . . . . . c30498_6e5j 1 . 9 . 3669 . 1 1 4 CYS C C 4.136 -3.255 -3.735 . . . 1.0 . . . . . . . . . . . . A . 4 CYS C . . . . . . . . . c30498_6e5j 1 . 9 . 3670 . 1 1 4 CYS CA C 4.571 -1.907 -3.183 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CA . . . . . . . . . c30498_6e5j 1 . 9 . 3671 . 1 1 4 CYS CB C 5.013 -0.981 -4.319 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CB . . . . . . . . . c30498_6e5j 1 . 9 . 3672 . 1 1 4 CYS H H 6.560 -1.879 -2.479 . . . 1.0 . . . . . . . . . . . . A . 4 CYS H . . . . . . . . . c30498_6e5j 1 . 9 . 3673 . 1 1 4 CYS HA H 3.733 -1.456 -2.674 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HA . . . . . . . . . c30498_6e5j 1 . 9 . 3674 . 1 1 4 CYS HB2 H 5.878 -1.403 -4.809 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB2 . . . . . . . . . c30498_6e5j 1 . 9 . 3675 . 1 1 4 CYS HB3 H 4.209 -0.895 -5.033 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB3 . . . . . . . . . c30498_6e5j 1 . 9 . 3676 . 1 1 4 CYS N N 5.635 -2.068 -2.210 . . . 1.0 . . . . . . . . . . . . A . 4 CYS N . . . . . . . . . c30498_6e5j 1 . 9 . 3677 . 1 1 4 CYS O O 2.958 -3.455 -4.028 . . . 1.0 . . . . . . . . . . . . A . 4 CYS O . . . . . . . . . c30498_6e5j 1 . 9 . 3678 . 1 1 4 CYS SG S 5.448 0.702 -3.771 . . . 1.0 . . . . . . . . . . . . A . 4 CYS SG . . . . . . . . . c30498_6e5j 1 . 9 . 3679 . 1 1 5 LYS C C 3.782 -6.165 -3.328 . . . 1.0 . . . . . . . . . . . . A . 5 LYS C . . . . . . . . . c30498_6e5j 1 . 9 . 3680 . 1 1 5 LYS CA C 4.766 -5.532 -4.304 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CA . . . . . . . . . c30498_6e5j 1 . 9 . 3681 . 1 1 5 LYS CB C 6.036 -6.375 -4.416 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CB . . . . . . . . . c30498_6e5j 1 . 9 . 3682 . 1 1 5 LYS CD C 8.314 -6.650 -5.444 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CD . . . . . . . . . c30498_6e5j 1 . 9 . 3683 . 1 1 5 LYS CE C 8.083 -8.088 -5.881 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CE . . . . . . . . . c30498_6e5j 1 . 9 . 3684 . 1 1 5 LYS CG C 7.027 -5.841 -5.434 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CG . . . . . . . . . c30498_6e5j 1 . 9 . 3685 . 1 1 5 LYS H H 6.017 -3.948 -3.655 . . . 1.0 . . . . . . . . . . . . A . 5 LYS H . . . . . . . . . c30498_6e5j 1 . 9 . 3686 . 1 1 5 LYS HA H 4.300 -5.464 -5.275 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HA . . . . . . . . . c30498_6e5j 1 . 9 . 3687 . 1 1 5 LYS HB2 H 6.523 -6.403 -3.451 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HB2 . . . . . . . . . c30498_6e5j 1 . 9 . 3688 . 1 1 5 LYS HB3 H 5.763 -7.378 -4.701 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HB3 . . . . . . . . . c30498_6e5j 1 . 9 . 3689 . 1 1 5 LYS HD2 H 9.012 -6.187 -6.124 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HD2 . . . . . . . . . c30498_6e5j 1 . 9 . 3690 . 1 1 5 LYS HD3 H 8.729 -6.651 -4.449 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HD3 . . . . . . . . . c30498_6e5j 1 . 9 . 3691 . 1 1 5 LYS HE2 H 9.029 -8.609 -5.870 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HE2 . . . . . . . . . c30498_6e5j 1 . 9 . 3692 . 1 1 5 LYS HE3 H 7.409 -8.559 -5.183 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HE3 . . . . . . . . . c30498_6e5j 1 . 9 . 3693 . 1 1 5 LYS HG2 H 6.578 -5.885 -6.415 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HG2 . . . . . . . . . c30498_6e5j 1 . 9 . 3694 . 1 1 5 LYS HG3 H 7.260 -4.814 -5.191 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HG3 . . . . . . . . . c30498_6e5j 1 . 9 . 3695 . 1 1 5 LYS HZ1 H 7.463 -9.169 -7.557 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ1 . . . . . . . . . c30498_6e5j 1 . 9 . 3696 . 1 1 5 LYS HZ2 H 8.082 -7.638 -7.921 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ2 . . . . . . . . . c30498_6e5j 1 . 9 . 3697 . 1 1 5 LYS HZ3 H 6.536 -7.788 -7.255 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ3 . . . . . . . . . c30498_6e5j 1 . 9 . 3698 . 1 1 5 LYS N N 5.084 -4.181 -3.864 . . . 1.0 . . . . . . . . . . . . A . 5 LYS N . . . . . . . . . c30498_6e5j 1 . 9 . 3699 . 1 1 5 LYS NZ N 7.502 -8.176 -7.248 . . . 1.0 . . . . . . . . . . . . A . 5 LYS NZ . . . . . . . . . c30498_6e5j 1 . 9 . 3700 . 1 1 5 LYS O O 2.596 -6.316 -3.637 . . . 1.0 . . . . . . . . . . . . A . 5 LYS O . . . . . . . . . c30498_6e5j 1 . 9 . 3701 . 1 1 6 B3E C C 2.668 -5.931 0.988 . . . 1.0 . . . . . . . . . . . . A . 6 B3E C . . . . . . . . . c30498_6e5j 1 . 9 . 3702 . 1 1 6 B3E CA C 3.833 -6.555 0.254 . . . 1.0 . . . . . . . . . . . . A . 6 B3E CA . . . . . . . . . c30498_6e5j 1 . 9 . 3703 . 1 1 6 B3E CB C 3.433 -7.099 -1.112 . . . 1.0 . . . . . . . . . . . . A . 6 B3E CB . . . . . . . . . c30498_6e5j 1 . 9 . 3704 . 1 1 6 B3E CD C 3.056 -9.315 -2.335 . . . 1.0 . . . . . . . . . . . . A . 6 B3E CD . . . . . . . . . c30498_6e5j 1 . 9 . 3705 . 1 1 6 B3E CE C 3.178 -10.817 -2.247 . . . 1.0 . . . . . . . . . . . . A . 6 B3E CE . . . . . . . . . c30498_6e5j 1 . 9 . 3706 . 1 1 6 B3E CG C 3.540 -8.625 -1.074 . . . 1.0 . . . . . . . . . . . . A . 6 B3E CG . . . . . . . . . c30498_6e5j 1 . 9 . 3707 . 1 1 6 B3E H H 5.240 -6.424 -1.982 . . . 1.0 . . . . . . . . . . . . A . 6 B3E H . . . . . . . . . c30498_6e5j 1 . 9 . 3708 . 1 1 6 B3E HA1 H 4.223 -7.364 0.854 . . . 1.0 . . . . . . . . . . . . A . 6 B3E HA1 . . . . . . . . . c30498_6e5j 1 . 9 . 3709 . 1 1 6 B3E HA2 H 4.600 -5.802 0.129 . . . 1.0 . . . . . . . . . . . . A . 6 B3E HA2 . . . . . . . . . c30498_6e5j 1 . 9 . 3710 . 1 1 6 B3E HB H 2.411 -6.796 -1.328 . . . 1.0 . . . . . . . . . . . . A . 6 B3E HB . . . . . . . . . c30498_6e5j 1 . 9 . 3711 . 1 1 6 B3E HD2 H 3.646 -8.967 -3.171 . . . 1.0 . . . . . . . . . . . . A . 6 B3E HD2 . . . . . . . . . c30498_6e5j 1 . 9 . 3712 . 1 1 6 B3E HD3 H 2.019 -9.060 -2.496 . . . 1.0 . . . . . . . . . . . . A . 6 B3E HD3 . . . . . . . . . c30498_6e5j 1 . 9 . 3713 . 1 1 6 B3E HG2 H 2.954 -8.992 -0.246 . . . 1.0 . . . . . . . . . . . . A . 6 B3E HG2 . . . . . . . . . c30498_6e5j 1 . 9 . 3714 . 1 1 6 B3E HG3 H 4.570 -8.898 -0.917 . . . 1.0 . . . . . . . . . . . . A . 6 B3E HG3 . . . . . . . . . c30498_6e5j 1 . 9 . 3715 . 1 1 6 B3E N N 4.277 -6.530 -2.151 . . . 1.0 . . . . . . . . . . . . A . 6 B3E N . . . . . . . . . c30498_6e5j 1 . 9 . 3716 . 1 1 6 B3E O O 1.709 -6.611 1.367 . . . 1.0 . . . . . . . . . . . . A . 6 B3E O . . . . . . . . . c30498_6e5j 1 . 9 . 3717 . 1 1 6 B3E OF1 O 2.341 -11.443 -1.566 . . . 1.0 . . . . . . . . . . . . A . 6 B3E OF1 . . . . . . . . . c30498_6e5j 1 . 9 . 3718 . 1 1 6 B3E OF2 O 4.110 -11.381 -2.859 . . . 1.0 . . . . . . . . . . . . A . 6 B3E OF2 . . . . . . . . . c30498_6e5j 1 . 9 . 3719 . 1 1 7 LEU C C 0.527 -3.643 0.938 . . . 1.0 . . . . . . . . . . . . A . 7 LEU C . . . . . . . . . c30498_6e5j 1 . 9 . 3720 . 1 1 7 LEU CA C 1.696 -3.896 1.871 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CA . . . . . . . . . c30498_6e5j 1 . 9 . 3721 . 1 1 7 LEU CB C 2.224 -2.577 2.438 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CB . . . . . . . . . c30498_6e5j 1 . 9 . 3722 . 1 1 7 LEU CD1 C 3.771 -1.348 3.981 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CD1 . . . . . . . . . c30498_6e5j 1 . 9 . 3723 . 1 1 7 LEU CD2 C 2.961 -3.626 4.601 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CD2 . . . . . . . . . c30498_6e5j 1 . 9 . 3724 . 1 1 7 LEU CG C 3.364 -2.711 3.453 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CG . . . . . . . . . c30498_6e5j 1 . 9 . 3725 . 1 1 7 LEU H H 3.516 -4.124 0.828 . . . 1.0 . . . . . . . . . . . . A . 7 LEU H . . . . . . . . . c30498_6e5j 1 . 9 . 3726 . 1 1 7 LEU HA H 1.354 -4.516 2.686 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HA . . . . . . . . . c30498_6e5j 1 . 9 . 3727 . 1 1 7 LEU HB2 H 2.572 -1.970 1.615 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HB2 . . . . . . . . . c30498_6e5j 1 . 9 . 3728 . 1 1 7 LEU HB3 H 1.406 -2.063 2.919 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HB3 . . . . . . . . . c30498_6e5j 1 . 9 . 3729 . 1 1 7 LEU HD11 H 4.113 -0.733 3.161 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD11 . . . . . . . . . c30498_6e5j 1 . 9 . 3730 . 1 1 7 LEU HD12 H 4.569 -1.464 4.700 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD12 . . . . . . . . . c30498_6e5j 1 . 9 . 3731 . 1 1 7 LEU HD13 H 2.924 -0.875 4.456 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD13 . . . . . . . . . c30498_6e5j 1 . 9 . 3732 . 1 1 7 LEU HD21 H 3.739 -3.628 5.349 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD21 . . . . . . . . . c30498_6e5j 1 . 9 . 3733 . 1 1 7 LEU HD22 H 2.819 -4.629 4.229 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD22 . . . . . . . . . c30498_6e5j 1 . 9 . 3734 . 1 1 7 LEU HD23 H 2.040 -3.270 5.041 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD23 . . . . . . . . . c30498_6e5j 1 . 9 . 3735 . 1 1 7 LEU HG H 4.221 -3.146 2.962 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HG . . . . . . . . . c30498_6e5j 1 . 9 . 3736 . 1 1 7 LEU N N 2.742 -4.619 1.177 . . . 1.0 . . . . . . . . . . . . A . 7 LEU N . . . . . . . . . c30498_6e5j 1 . 9 . 3737 . 1 1 7 LEU O O -0.618 -3.908 1.298 . . . 1.0 . . . . . . . . . . . . A . 7 LEU O . . . . . . . . . c30498_6e5j 1 . 9 . 3738 . 1 1 8 LYS C C -0.982 -4.203 -1.523 . . . 1.0 . . . . . . . . . . . . A . 8 LYS C . . . . . . . . . c30498_6e5j 1 . 9 . 3739 . 1 1 8 LYS CA C -0.227 -2.910 -1.250 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CA . . . . . . . . . c30498_6e5j 1 . 9 . 3740 . 1 1 8 LYS CB C 0.349 -2.346 -2.549 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CB . . . . . . . . . c30498_6e5j 1 . 9 . 3741 . 1 1 8 LYS CD C -0.140 -1.364 -4.825 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CD . . . . . . . . . c30498_6e5j 1 . 9 . 3742 . 1 1 8 LYS CE C 0.496 -2.486 -5.626 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CE . . . . . . . . . c30498_6e5j 1 . 9 . 3743 . 1 1 8 LYS CG C -0.724 -1.872 -3.518 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CG . . . . . . . . . c30498_6e5j 1 . 9 . 3744 . 1 1 8 LYS H H 1.750 -2.974 -0.502 . . . 1.0 . . . . . . . . . . . . A . 8 LYS H . . . . . . . . . c30498_6e5j 1 . 9 . 3745 . 1 1 8 LYS HA H -0.910 -2.192 -0.825 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HA . . . . . . . . . c30498_6e5j 1 . 9 . 3746 . 1 1 8 LYS HB2 H 0.990 -1.510 -2.313 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB2 . . . . . . . . . c30498_6e5j 1 . 9 . 3747 . 1 1 8 LYS HB3 H 0.932 -3.114 -3.036 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB3 . . . . . . . . . c30498_6e5j 1 . 9 . 3748 . 1 1 8 LYS HD2 H -0.928 -0.920 -5.412 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD2 . . . . . . . . . c30498_6e5j 1 . 9 . 3749 . 1 1 8 LYS HD3 H 0.612 -0.619 -4.606 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD3 . . . . . . . . . c30498_6e5j 1 . 9 . 3750 . 1 1 8 LYS HE2 H 1.318 -2.896 -5.059 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE2 . . . . . . . . . c30498_6e5j 1 . 9 . 3751 . 1 1 8 LYS HE3 H -0.245 -3.255 -5.792 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE3 . . . . . . . . . c30498_6e5j 1 . 9 . 3752 . 1 1 8 LYS HG2 H -1.388 -2.695 -3.730 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG2 . . . . . . . . . c30498_6e5j 1 . 9 . 3753 . 1 1 8 LYS HG3 H -1.282 -1.073 -3.051 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG3 . . . . . . . . . c30498_6e5j 1 . 9 . 3754 . 1 1 8 LYS HZ1 H 1.664 -1.224 -6.806 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ1 . . . . . . . . . c30498_6e5j 1 . 9 . 3755 . 1 1 8 LYS HZ2 H 0.217 -1.699 -7.535 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ2 . . . . . . . . . c30498_6e5j 1 . 9 . 3756 . 1 1 8 LYS HZ3 H 1.503 -2.789 -7.424 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ3 . . . . . . . . . c30498_6e5j 1 . 9 . 3757 . 1 1 8 LYS N N 0.819 -3.160 -0.270 . . . 1.0 . . . . . . . . . . . . A . 8 LYS N . . . . . . . . . c30498_6e5j 1 . 9 . 3758 . 1 1 8 LYS NZ N 1.005 -2.017 -6.937 . . . 1.0 . . . . . . . . . . . . A . 8 LYS NZ . . . . . . . . . c30498_6e5j 1 . 9 . 3759 . 1 1 8 LYS O O -2.174 -4.307 -1.250 . . . 1.0 . . . . . . . . . . . . A . 8 LYS O . . . . . . . . . c30498_6e5j 1 . 9 . 3760 . 1 1 9 B3K C C -1.355 -8.042 -0.377 . . . 1.0 . . . . . . . . . . . . A . 9 B3K C . . . . . . . . . c30498_6e5j 1 . 9 . 3761 . 1 1 9 B3K CA C -0.341 -7.552 -1.379 . . . 1.0 . . . . . . . . . . . . A . 9 B3K CA . . . . . . . . . c30498_6e5j 1 . 9 . 3762 . 1 1 9 B3K CB C -0.907 -6.476 -2.300 . . . 1.0 . . . . . . . . . . . . A . 9 B3K CB . . . . . . . . . c30498_6e5j 1 . 9 . 3763 . 1 1 9 B3K CD C -1.162 -5.911 -4.782 . . . 1.0 . . . . . . . . . . . . A . 9 B3K CD . . . . . . . . . c30498_6e5j 1 . 9 . 3764 . 1 1 9 B3K CE C -1.006 -6.432 -6.204 . . . 1.0 . . . . . . . . . . . . A . 9 B3K CE . . . . . . . . . c30498_6e5j 1 . 9 . 3765 . 1 1 9 B3K CF C -1.934 -7.604 -6.479 . . . 1.0 . . . . . . . . . . . . A . 9 B3K CF . . . . . . . . . c30498_6e5j 1 . 9 . 3766 . 1 1 9 B3K CG C -0.664 -6.914 -3.752 . . . 1.0 . . . . . . . . . . . . A . 9 B3K CG . . . . . . . . . c30498_6e5j 1 . 9 . 3767 . 1 1 9 B3K H H 0.669 -5.073 -2.249 . . . 1.0 . . . . . . . . . . . . A . 9 B3K H . . . . . . . . . c30498_6e5j 1 . 9 . 3768 . 1 1 9 B3K HA1 H -0.017 -8.391 -1.975 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HA1 . . . . . . . . . c30498_6e5j 1 . 9 . 3769 . 1 1 9 B3K HA2 H 0.502 -7.150 -0.838 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HA2 . . . . . . . . . c30498_6e5j 1 . 9 . 3770 . 1 1 9 B3K HB H -1.979 -6.347 -2.090 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HB . . . . . . . . . c30498_6e5j 1 . 9 . 3771 . 1 1 9 B3K HD2 H -0.597 -4.996 -4.680 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HD2 . . . . . . . . . c30498_6e5j 1 . 9 . 3772 . 1 1 9 B3K HD3 H -2.206 -5.711 -4.600 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HD3 . . . . . . . . . c30498_6e5j 1 . 9 . 3773 . 1 1 9 B3K HE2 H 0.016 -6.751 -6.348 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HE2 . . . . . . . . . c30498_6e5j 1 . 9 . 3774 . 1 1 9 B3K HE3 H -1.235 -5.635 -6.895 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HE3 . . . . . . . . . c30498_6e5j 1 . 9 . 3775 . 1 1 9 B3K HF1 H -2.946 -7.304 -6.252 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HF1 . . . . . . . . . c30498_6e5j 1 . 9 . 3776 . 1 1 9 B3K HF2 H -1.652 -8.427 -5.841 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HF2 . . . . . . . . . c30498_6e5j 1 . 9 . 3777 . 1 1 9 B3K HG2 H -1.168 -7.853 -3.920 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HG2 . . . . . . . . . c30498_6e5j 1 . 9 . 3778 . 1 1 9 B3K HG3 H 0.397 -7.053 -3.900 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HG3 . . . . . . . . . c30498_6e5j 1 . 9 . 3779 . 1 1 9 B3K HNZ1 H -0.913 -8.390 -8.122 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HNZ1 . . . . . . . . . c30498_6e5j 1 . 9 . 3780 . 1 1 9 B3K HNZ2 H -2.097 -7.258 -8.531 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HNZ2 . . . . . . . . . c30498_6e5j 1 . 9 . 3781 . 1 1 9 B3K N N -0.281 -5.202 -2.043 . . . 1.0 . . . . . . . . . . . . A . 9 B3K N . . . . . . . . . c30498_6e5j 1 . 9 . 3782 . 1 1 9 B3K NZ N -1.867 -8.049 -7.897 . . . 1.0 . . . . . . . . . . . . A . 9 B3K NZ . . . . . . . . . c30498_6e5j 1 . 9 . 3783 . 1 1 9 B3K O O -2.255 -8.817 -0.704 . . . 1.0 . . . . . . . . . . . . A . 9 B3K O . . . . . . . . . c30498_6e5j 1 . 9 . 3784 . 1 1 10 ARG C C -3.443 -7.185 1.764 . . . 1.0 . . . . . . . . . . . . A . 10 ARG C . . . . . . . . . c30498_6e5j 1 . 9 . 3785 . 1 1 10 ARG CA C -2.127 -7.931 1.927 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CA . . . . . . . . . c30498_6e5j 1 . 9 . 3786 . 1 1 10 ARG CB C -1.522 -7.601 3.292 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CB . . . . . . . . . c30498_6e5j 1 . 9 . 3787 . 1 1 10 ARG CD C 0.321 -7.977 4.959 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CD . . . . . . . . . c30498_6e5j 1 . 9 . 3788 . 1 1 10 ARG CG C -0.167 -8.243 3.544 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CG . . . . . . . . . c30498_6e5j 1 . 9 . 3789 . 1 1 10 ARG CZ C 0.388 -6.046 6.499 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CZ . . . . . . . . . c30498_6e5j 1 . 9 . 3790 . 1 1 10 ARG H H -0.450 -6.983 1.057 . . . 1.0 . . . . . . . . . . . . A . 10 ARG H . . . . . . . . . c30498_6e5j 1 . 9 . 3791 . 1 1 10 ARG HA H -2.317 -8.992 1.868 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HA . . . . . . . . . c30498_6e5j 1 . 9 . 3792 . 1 1 10 ARG HB2 H -1.407 -6.530 3.371 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HB2 . . . . . . . . . c30498_6e5j 1 . 9 . 3793 . 1 1 10 ARG HB3 H -2.203 -7.936 4.060 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HB3 . . . . . . . . . c30498_6e5j 1 . 9 . 3794 . 1 1 10 ARG HD2 H -0.366 -8.435 5.654 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HD2 . . . . . . . . . c30498_6e5j 1 . 9 . 3795 . 1 1 10 ARG HD3 H 1.298 -8.423 5.077 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HD3 . . . . . . . . . c30498_6e5j 1 . 9 . 3796 . 1 1 10 ARG HE H 0.496 -5.928 4.500 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HE . . . . . . . . . c30498_6e5j 1 . 9 . 3797 . 1 1 10 ARG HG2 H -0.251 -9.311 3.398 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HG2 . . . . . . . . . c30498_6e5j 1 . 9 . 3798 . 1 1 10 ARG HG3 H 0.548 -7.837 2.843 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HG3 . . . . . . . . . c30498_6e5j 1 . 9 . 3799 . 1 1 10 ARG HH11 H 0.275 -6.486 8.476 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH11 . . . . . . . . . c30498_6e5j 1 . 9 . 3800 . 1 1 10 ARG HH12 H 0.240 -7.851 7.407 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH12 . . . . . . . . . c30498_6e5j 1 . 9 . 3801 . 1 1 10 ARG HH21 H 0.441 -4.366 7.635 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH21 . . . . . . . . . c30498_6e5j 1 . 9 . 3802 . 1 1 10 ARG HH22 H 0.542 -4.107 5.924 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH22 . . . . . . . . . c30498_6e5j 1 . 9 . 3803 . 1 1 10 ARG N N -1.207 -7.578 0.859 . . . 1.0 . . . . . . . . . . . . A . 10 ARG N . . . . . . . . . c30498_6e5j 1 . 9 . 3804 . 1 1 10 ARG NE N 0.413 -6.544 5.260 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NE . . . . . . . . . c30498_6e5j 1 . 9 . 3805 . 1 1 10 ARG NH1 N 0.293 -6.860 7.542 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NH1 . . . . . . . . . c30498_6e5j 1 . 9 . 3806 . 1 1 10 ARG NH2 N 0.463 -4.734 6.698 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NH2 . . . . . . . . . c30498_6e5j 1 . 9 . 3807 . 1 1 10 ARG O O -4.518 -7.747 1.964 . . . 1.0 . . . . . . . . . . . . A . 10 ARG O . . . . . . . . . c30498_6e5j 1 . 9 . 3808 . 1 1 11 TYR C C -5.100 -5.120 -0.156 . . . 1.0 . . . . . . . . . . . . A . 11 TYR C . . . . . . . . . c30498_6e5j 1 . 9 . 3809 . 1 1 11 TYR CA C -4.524 -5.068 1.256 . . . 1.0 . . . . . . . . . . . . A . 11 TYR CA . . . . . . . . . c30498_6e5j 1 . 9 . 3810 . 1 1 11 TYR CB C -4.167 -3.630 1.627 . . . 1.0 . . . . . . . . . . . . A . 11 TYR CB . . . . . . . . . c30498_6e5j 1 . 9 . 3811 . 1 1 11 TYR CD1 C -4.730 -3.587 4.083 . . . 1.0 . . . . . . . . . . . . A . 11 TYR CD1 . . . . . . . . . c30498_6e5j 1 . 9 . 3812 . 1 1 11 TYR CD2 C -2.476 -3.152 3.443 . . . 1.0 . . . . . . . . . . . . A . 11 TYR CD2 . . . . . . . . . c30498_6e5j 1 . 9 . 3813 . 1 1 11 TYR CE1 C -4.388 -3.424 5.409 . . . 1.0 . . . . . . . . . . . . A . 11 TYR CE1 . . . . . . . . . c30498_6e5j 1 . 9 . 3814 . 1 1 11 TYR CE2 C -2.126 -2.988 4.768 . . . 1.0 . . . . . . . . . . . . A . 11 TYR CE2 . . . . . . . . . c30498_6e5j 1 . 9 . 3815 . 1 1 11 TYR CG C -3.783 -3.453 3.077 . . . 1.0 . . . . . . . . . . . . A . 11 TYR CG . . . . . . . . . c30498_6e5j 1 . 9 . 3816 . 1 1 11 TYR CZ C -3.086 -3.127 5.747 . . . 1.0 . . . . . . . . . . . . A . 11 TYR CZ . . . . . . . . . c30498_6e5j 1 . 9 . 3817 . 1 1 11 TYR H H -2.472 -5.552 1.153 . . . 1.0 . . . . . . . . . . . . A . 11 TYR H . . . . . . . . . c30498_6e5j 1 . 9 . 3818 . 1 1 11 TYR HA H -5.267 -5.433 1.949 . . . 1.0 . . . . . . . . . . . . A . 11 TYR HA . . . . . . . . . c30498_6e5j 1 . 9 . 3819 . 1 1 11 TYR HB2 H -3.335 -3.305 1.022 . . . 1.0 . . . . . . . . . . . . A . 11 TYR HB2 . . . . . . . . . c30498_6e5j 1 . 9 . 3820 . 1 1 11 TYR HB3 H -5.016 -2.995 1.430 . . . 1.0 . . . . . . . . . . . . A . 11 TYR HB3 . . . . . . . . . c30498_6e5j 1 . 9 . 3821 . 1 1 11 TYR HD1 H -5.750 -3.823 3.815 . . . 1.0 . . . . . . . . . . . . A . 11 TYR HD1 . . . . . . . . . c30498_6e5j 1 . 9 . 3822 . 1 1 11 TYR HD2 H -1.726 -3.045 2.671 . . . 1.0 . . . . . . . . . . . . A . 11 TYR HD2 . . . . . . . . . c30498_6e5j 1 . 9 . 3823 . 1 1 11 TYR HE1 H -5.138 -3.534 6.176 . . . 1.0 . . . . . . . . . . . . A . 11 TYR HE1 . . . . . . . . . c30498_6e5j 1 . 9 . 3824 . 1 1 11 TYR HE2 H -1.105 -2.752 5.031 . . . 1.0 . . . . . . . . . . . . A . 11 TYR HE2 . . . . . . . . . c30498_6e5j 1 . 9 . 3825 . 1 1 11 TYR HH H -3.044 -3.733 7.576 . . . 1.0 . . . . . . . . . . . . A . 11 TYR HH . . . . . . . . . c30498_6e5j 1 . 9 . 3826 . 1 1 11 TYR N N -3.351 -5.922 1.376 . . . 1.0 . . . . . . . . . . . . A . 11 TYR N . . . . . . . . . c30498_6e5j 1 . 9 . 3827 . 1 1 11 TYR O O -5.757 -4.181 -0.599 . . . 1.0 . . . . . . . . . . . . A . 11 TYR O . . . . . . . . . c30498_6e5j 1 . 9 . 3828 . 1 1 11 TYR OH O -2.743 -2.963 7.072 . . . 1.0 . . . . . . . . . . . . A . 11 TYR OH . . . . . . . . . c30498_6e5j 1 . 9 . 3829 . 1 1 12 ABA C C -6.862 -6.261 -2.302 . . . 1.0 . . . . . . . . . . . . A . 12 AIB C . . . . . . . . . c30498_6e5j 1 . 9 . 3830 . 1 1 12 ABA CA C -5.340 -6.446 -2.217 . . . 1.0 . . . . . . . . . . . . A . 12 AIB CA . . . . . . . . . c30498_6e5j 1 . 9 . 3831 . 1 1 12 ABA H H -4.377 -6.963 -0.396 . . . 1.0 . . . . . . . . . . . . A . 12 AIB H . . . . . . . . . c30498_6e5j 1 . 9 . 3832 . 1 1 12 ABA N N -4.875 -6.243 -0.836 . . . 1.0 . . . . . . . . . . . . A . 12 AIB N . . . . . . . . . c30498_6e5j 1 . 9 . 3833 . 1 1 12 ABA O O -7.383 -5.781 -3.311 . . . 1.0 . . . . . . . . . . . . A . 12 AIB O . . . . . . . . . c30498_6e5j 1 . 9 . 3834 . 1 1 13 GLY C C -9.475 -5.129 -0.824 . . . 1.0 . . . . . . . . . . . . A . 13 GLY C . . . . . . . . . c30498_6e5j 1 . 9 . 3835 . 1 1 13 GLY CA C -9.008 -6.518 -1.219 . . . 1.0 . . . . . . . . . . . . A . 13 GLY CA . . . . . . . . . c30498_6e5j 1 . 9 . 3836 . 1 1 13 GLY H H -7.094 -7.018 -0.467 . . . 1.0 . . . . . . . . . . . . A . 13 GLY H . . . . . . . . . c30498_6e5j 1 . 9 . 3837 . 1 1 13 GLY HA2 H -9.390 -6.747 -2.201 . . . 1.0 . . . . . . . . . . . . A . 13 GLY HA2 . . . . . . . . . c30498_6e5j 1 . 9 . 3838 . 1 1 13 GLY HA3 H -9.407 -7.233 -0.515 . . . 1.0 . . . . . . . . . . . . A . 13 GLY HA3 . . . . . . . . . c30498_6e5j 1 . 9 . 3839 . 1 1 13 GLY N N -7.563 -6.641 -1.241 . . . 1.0 . . . . . . . . . . . . A . 13 GLY N . . . . . . . . . c30498_6e5j 1 . 9 . 3840 . 1 1 13 GLY O O -10.675 -4.873 -0.715 . . . 1.0 . . . . . . . . . . . . A . 13 GLY O . . . . . . . . . c30498_6e5j 1 . 9 . 3841 . 1 1 14 CYS C C -8.365 -1.912 -1.322 . . . 1.0 . . . . . . . . . . . . A . 14 CYS C . . . . . . . . . c30498_6e5j 1 . 9 . 3842 . 1 1 14 CYS CA C -8.832 -2.866 -0.227 . . . 1.0 . . . . . . . . . . . . A . 14 CYS CA . . . . . . . . . c30498_6e5j 1 . 9 . 3843 . 1 1 14 CYS CB C -8.121 -2.538 1.089 . . . 1.0 . . . . . . . . . . . . A . 14 CYS CB . . . . . . . . . c30498_6e5j 1 . 9 . 3844 . 1 1 14 CYS H H -7.590 -4.493 -0.727 . . . 1.0 . . . . . . . . . . . . A . 14 CYS H . . . . . . . . . c30498_6e5j 1 . 9 . 3845 . 1 1 14 CYS HA H -9.900 -2.772 -0.097 . . . 1.0 . . . . . . . . . . . . A . 14 CYS HA . . . . . . . . . c30498_6e5j 1 . 9 . 3846 . 1 1 14 CYS HB2 H -7.064 -2.429 0.897 . . . 1.0 . . . . . . . . . . . . A . 14 CYS HB2 . . . . . . . . . c30498_6e5j 1 . 9 . 3847 . 1 1 14 CYS HB3 H -8.507 -1.608 1.480 . . . 1.0 . . . . . . . . . . . . A . 14 CYS HB3 . . . . . . . . . c30498_6e5j 1 . 9 . 3848 . 1 1 14 CYS N N -8.530 -4.233 -0.612 . . . 1.0 . . . . . . . . . . . . A . 14 CYS N . . . . . . . . . c30498_6e5j 1 . 9 . 3849 . 1 1 14 CYS O O -7.742 -2.339 -2.295 . . . 1.0 . . . . . . . . . . . . A . 14 CYS O . . . . . . . . . c30498_6e5j 1 . 9 . 3850 . 1 1 14 CYS SG S -8.319 -3.813 2.384 . . . 1.0 . . . . . . . . . . . . A . 14 CYS SG . . . . . . . . . c30498_6e5j 1 . 9 . 3851 . 1 1 15 GLU C C -6.840 0.887 -1.602 . . . 1.0 . . . . . . . . . . . . A . 15 GLU C . . . . . . . . . c30498_6e5j 1 . 9 . 3852 . 1 1 15 GLU CA C -8.184 0.374 -2.102 . . . 1.0 . . . . . . . . . . . . A . 15 GLU CA . . . . . . . . . c30498_6e5j 1 . 9 . 3853 . 1 1 15 GLU CB C -9.178 1.530 -2.239 . . . 1.0 . . . . . . . . . . . . A . 15 GLU CB . . . . . . . . . c30498_6e5j 1 . 9 . 3854 . 1 1 15 GLU CD C -11.445 2.279 -3.041 . . . 1.0 . . . . . . . . . . . . A . 15 GLU CD . . . . . . . . . c30498_6e5j 1 . 9 . 3855 . 1 1 15 GLU CG C -10.528 1.105 -2.794 . . . 1.0 . . . . . . . . . . . . A . 15 GLU CG . . . . . . . . . c30498_6e5j 1 . 9 . 3856 . 1 1 15 GLU H H -9.240 -0.356 -0.420 . . . 1.0 . . . . . . . . . . . . A . 15 GLU H . . . . . . . . . c30498_6e5j 1 . 9 . 3857 . 1 1 15 GLU HA H -8.048 -0.095 -3.064 . . . 1.0 . . . . . . . . . . . . A . 15 GLU HA . . . . . . . . . c30498_6e5j 1 . 9 . 3858 . 1 1 15 GLU HB2 H -9.336 1.973 -1.267 . . . 1.0 . . . . . . . . . . . . A . 15 GLU HB2 . . . . . . . . . c30498_6e5j 1 . 9 . 3859 . 1 1 15 GLU HB3 H -8.760 2.273 -2.900 . . . 1.0 . . . . . . . . . . . . A . 15 GLU HB3 . . . . . . . . . c30498_6e5j 1 . 9 . 3860 . 1 1 15 GLU HG2 H -10.372 0.587 -3.728 . . . 1.0 . . . . . . . . . . . . A . 15 GLU HG2 . . . . . . . . . c30498_6e5j 1 . 9 . 3861 . 1 1 15 GLU HG3 H -11.001 0.440 -2.087 . . . 1.0 . . . . . . . . . . . . A . 15 GLU HG3 . . . . . . . . . c30498_6e5j 1 . 9 . 3862 . 1 1 15 GLU N N -8.678 -0.634 -1.177 . . . 1.0 . . . . . . . . . . . . A . 15 GLU N . . . . . . . . . c30498_6e5j 1 . 9 . 3863 . 1 1 15 GLU O O -6.775 1.552 -0.571 . . . 1.0 . . . . . . . . . . . . A . 15 GLU O . . . . . . . . . c30498_6e5j 1 . 9 . 3864 . 1 1 15 GLU OE1 O -11.434 2.820 -4.168 . . . 1.0 . . . . . . . . . . . . A . 15 GLU OE1 . . . . . . . . . c30498_6e5j 1 . 9 . 3865 . 1 1 15 GLU OE2 O -12.177 2.673 -2.111 . . . 1.0 . . . . . . . . . . . . A . 15 GLU OE2 . . . . . . . . . c30498_6e5j 1 . 9 . 3866 . 1 1 16 MVA C C -3.382 1.303 -2.829 . . . 1.0 . . . . . . . . . . . . A . 16 MVA C . . . . . . . . . c30498_6e5j 1 . 9 . 3867 . 1 1 16 MVA CA C -4.403 0.858 -1.773 . . . 1.0 . . . . . . . . . . . . A . 16 MVA CA . . . . . . . . . c30498_6e5j 1 . 9 . 3868 . 1 1 16 MVA CB C -3.856 -0.373 -0.994 . . . 1.0 . . . . . . . . . . . . A . 16 MVA CB . . . . . . . . . c30498_6e5j 1 . 9 . 3869 . 1 1 16 MVA CG1 C -3.853 -1.630 -1.850 . . . 1.0 . . . . . . . . . . . . A . 16 MVA CG1 . . . . . . . . . c30498_6e5j 1 . 9 . 3870 . 1 1 16 MVA CG2 C -2.460 -0.093 -0.452 . . . 1.0 . . . . . . . . . . . . A . 16 MVA CG2 . . . . . . . . . c30498_6e5j 1 . 9 . 3871 . 1 1 16 MVA CN C -5.907 0.059 -3.692 . . . 1.0 . . . . . . . . . . . . A . 16 MVA CN . . . . . . . . . c30498_6e5j 1 . 9 . 3872 . 1 1 16 MVA HA H -4.477 1.664 -1.054 . . . 1.0 . . . . . . . . . . . . A . 16 MVA HA . . . . . . . . . c30498_6e5j 1 . 9 . 3873 . 1 1 16 MVA HB H -4.507 -0.551 -0.151 . . . 1.0 . . . . . . . . . . . . A . 16 MVA HB . . . . . . . . . c30498_6e5j 1 . 9 . 3874 . 1 1 16 MVA HG11 H -3.262 -1.461 -2.737 . . . 1.0 . . . . . . . . . . . . A . 16 MVA HG11 . . . . . . . . . c30498_6e5j 1 . 9 . 3875 . 1 1 16 MVA HG12 H -4.865 -1.874 -2.134 . . . 1.0 . . . . . . . . . . . . A . 16 MVA HG12 . . . . . . . . . c30498_6e5j 1 . 9 . 3876 . 1 1 16 MVA HG13 H -3.432 -2.448 -1.287 . . . 1.0 . . . . . . . . . . . . A . 16 MVA HG13 . . . . . . . . . c30498_6e5j 1 . 9 . 3877 . 1 1 16 MVA HG21 H -2.138 -0.922 0.159 . . . 1.0 . . . . . . . . . . . . A . 16 MVA HG21 . . . . . . . . . c30498_6e5j 1 . 9 . 3878 . 1 1 16 MVA HG22 H -2.477 0.809 0.143 . . . 1.0 . . . . . . . . . . . . A . 16 MVA HG22 . . . . . . . . . c30498_6e5j 1 . 9 . 3879 . 1 1 16 MVA HG23 H -1.773 0.034 -1.275 . . . 1.0 . . . . . . . . . . . . A . 16 MVA HG23 . . . . . . . . . c30498_6e5j 1 . 9 . 3880 . 1 1 16 MVA HN1 H -6.323 -0.938 -3.643 . . . 1.0 . . . . . . . . . . . . A . 16 MVA HN1 . . . . . . . . . c30498_6e5j 1 . 9 . 3881 . 1 1 16 MVA HN2 H -4.943 0.022 -4.177 . . . 1.0 . . . . . . . . . . . . A . 16 MVA HN2 . . . . . . . . . c30498_6e5j 1 . 9 . 3882 . 1 1 16 MVA HN3 H -6.570 0.698 -4.255 . . . 1.0 . . . . . . . . . . . . A . 16 MVA HN3 . . . . . . . . . c30498_6e5j 1 . 9 . 3883 . 1 1 16 MVA N N -5.748 0.596 -2.322 . . . 1.0 . . . . . . . . . . . . A . 16 MVA N . . . . . . . . . c30498_6e5j 1 . 9 . 3884 . 1 1 16 MVA O O -3.078 0.598 -3.797 . . . 1.0 . . . . . . . . . . . . A . 16 MVA O . . . . . . . . . c30498_6e5j 1 . 9 . 3885 . 1 1 17 ARG C C -0.512 3.159 -2.829 . . . 1.0 . . . . . . . . . . . . A . 17 ARG C . . . . . . . . . c30498_6e5j 1 . 9 . 3886 . 1 1 17 ARG CA C -1.869 3.074 -3.510 . . . 1.0 . . . . . . . . . . . . A . 17 ARG CA . . . . . . . . . c30498_6e5j 1 . 9 . 3887 . 1 1 17 ARG CB C -2.321 4.469 -3.941 . . . 1.0 . . . . . . . . . . . . A . 17 ARG CB . . . . . . . . . c30498_6e5j 1 . 9 . 3888 . 1 1 17 ARG CD C -3.578 3.711 -5.980 . . . 1.0 . . . . . . . . . . . . A . 17 ARG CD . . . . . . . . . c30498_6e5j 1 . 9 . 3889 . 1 1 17 ARG CG C -3.653 4.486 -4.673 . . . 1.0 . . . . . . . . . . . . A . 17 ARG CG . . . . . . . . . c30498_6e5j 1 . 9 . 3890 . 1 1 17 ARG CZ C -2.052 3.587 -7.916 . . . 1.0 . . . . . . . . . . . . A . 17 ARG CZ . . . . . . . . . c30498_6e5j 1 . 9 . 3891 . 1 1 17 ARG H H -3.087 2.979 -1.792 . . . 1.0 . . . . . . . . . . . . A . 17 ARG H . . . . . . . . . c30498_6e5j 1 . 9 . 3892 . 1 1 17 ARG HA H -1.789 2.441 -4.378 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HA . . . . . . . . . c30498_6e5j 1 . 9 . 3893 . 1 1 17 ARG HB2 H -2.409 5.092 -3.066 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HB2 . . . . . . . . . c30498_6e5j 1 . 9 . 3894 . 1 1 17 ARG HB3 H -1.571 4.888 -4.593 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HB3 . . . . . . . . . c30498_6e5j 1 . 9 . 3895 . 1 1 17 ARG HD2 H -3.325 2.685 -5.760 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HD2 . . . . . . . . . c30498_6e5j 1 . 9 . 3896 . 1 1 17 ARG HD3 H -4.543 3.747 -6.463 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HD3 . . . . . . . . . c30498_6e5j 1 . 9 . 3897 . 1 1 17 ARG HE H -2.270 5.184 -6.727 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HE . . . . . . . . . c30498_6e5j 1 . 9 . 3898 . 1 1 17 ARG HG2 H -4.406 4.036 -4.042 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HG2 . . . . . . . . . c30498_6e5j 1 . 9 . 3899 . 1 1 17 ARG HG3 H -3.924 5.509 -4.883 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HG3 . . . . . . . . . c30498_6e5j 1 . 9 . 3900 . 1 1 17 ARG HH11 H -3.102 1.887 -7.557 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HH11 . . . . . . . . . c30498_6e5j 1 . 9 . 3901 . 1 1 17 ARG HH12 H -2.033 1.830 -8.925 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HH12 . . . . . . . . . c30498_6e5j 1 . 9 . 3902 . 1 1 17 ARG HH21 H -0.767 3.652 -9.478 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HH21 . . . . . . . . . c30498_6e5j 1 . 9 . 3903 . 1 1 17 ARG HH22 H -0.865 5.105 -8.536 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HH22 . . . . . . . . . c30498_6e5j 1 . 9 . 3904 . 1 1 17 ARG N N -2.839 2.489 -2.610 . . . 1.0 . . . . . . . . . . . . A . 17 ARG N . . . . . . . . . c30498_6e5j 1 . 9 . 3905 . 1 1 17 ARG NE N -2.571 4.261 -6.890 . . . 1.0 . . . . . . . . . . . . A . 17 ARG NE . . . . . . . . . c30498_6e5j 1 . 9 . 3906 . 1 1 17 ARG NH1 N -2.427 2.336 -8.151 . . . 1.0 . . . . . . . . . . . . A . 17 ARG NH1 . . . . . . . . . c30498_6e5j 1 . 9 . 3907 . 1 1 17 ARG NH2 N -1.156 4.161 -8.705 . . . 1.0 . . . . . . . . . . . . A . 17 ARG NH2 . . . . . . . . . c30498_6e5j 1 . 9 . 3908 . 1 1 17 ARG O O -0.374 3.779 -1.775 . . . 1.0 . . . . . . . . . . . . A . 17 ARG O . . . . . . . . . c30498_6e5j 1 . 9 . 3909 . 1 1 18 CYS C C 2.613 3.662 -3.586 . . . 1.0 . . . . . . . . . . . . A . 18 CYS C . . . . . . . . . c30498_6e5j 1 . 9 . 3910 . 1 1 18 CYS CA C 1.828 2.559 -2.893 . . . 1.0 . . . . . . . . . . . . A . 18 CYS CA . . . . . . . . . c30498_6e5j 1 . 9 . 3911 . 1 1 18 CYS CB C 2.521 1.214 -3.103 . . . 1.0 . . . . . . . . . . . . A . 18 CYS CB . . . . . . . . . c30498_6e5j 1 . 9 . 3912 . 1 1 18 CYS H H 0.301 2.025 -4.252 . . . 1.0 . . . . . . . . . . . . A . 18 CYS H . . . . . . . . . c30498_6e5j 1 . 9 . 3913 . 1 1 18 CYS HA H 1.769 2.770 -1.835 . . . 1.0 . . . . . . . . . . . . A . 18 CYS HA . . . . . . . . . c30498_6e5j 1 . 9 . 3914 . 1 1 18 CYS HB2 H 1.887 0.425 -2.729 . . . 1.0 . . . . . . . . . . . . A . 18 CYS HB2 . . . . . . . . . c30498_6e5j 1 . 9 . 3915 . 1 1 18 CYS HB3 H 2.685 1.068 -4.161 . . . 1.0 . . . . . . . . . . . . A . 18 CYS HB3 . . . . . . . . . c30498_6e5j 1 . 9 . 3916 . 1 1 18 CYS N N 0.478 2.523 -3.425 . . . 1.0 . . . . . . . . . . . . A . 18 CYS N . . . . . . . . . c30498_6e5j 1 . 9 . 3917 . 1 1 18 CYS O O 3.196 3.444 -4.648 . . . 1.0 . . . . . . . . . . . . A . 18 CYS O . . . . . . . . . c30498_6e5j 1 . 9 . 3918 . 1 1 18 CYS SG S 4.137 1.076 -2.267 . . . 1.0 . . . . . . . . . . . . A . 18 CYS SG . . . . . . . . . c30498_6e5j 1 . 9 . 3919 . 1 1 19 ASP C C 4.476 6.393 -2.769 . . . 1.0 . . . . . . . . . . . . A . 19 ASP C . . . . . . . . . c30498_6e5j 1 . 9 . 3920 . 1 1 19 ASP CA C 3.270 5.987 -3.605 . . . 1.0 . . . . . . . . . . . . A . 19 ASP CA . . . . . . . . . c30498_6e5j 1 . 9 . 3921 . 1 1 19 ASP CB C 2.295 7.155 -3.745 . . . 1.0 . . . . . . . . . . . . A . 19 ASP CB . . . . . . . . . c30498_6e5j 1 . 9 . 3922 . 1 1 19 ASP CG C 2.825 8.238 -4.663 . . . 1.0 . . . . . . . . . . . . A . 19 ASP CG . . . . . . . . . c30498_6e5j 1 . 9 . 3923 . 1 1 19 ASP H H 2.168 4.956 -2.126 . . . 1.0 . . . . . . . . . . . . A . 19 ASP H . . . . . . . . . c30498_6e5j 1 . 9 . 3924 . 1 1 19 ASP HA H 3.607 5.689 -4.585 . . . 1.0 . . . . . . . . . . . . A . 19 ASP HA . . . . . . . . . c30498_6e5j 1 . 9 . 3925 . 1 1 19 ASP HB2 H 1.363 6.791 -4.147 . . . 1.0 . . . . . . . . . . . . A . 19 ASP HB2 . . . . . . . . . c30498_6e5j 1 . 9 . 3926 . 1 1 19 ASP HB3 H 2.119 7.588 -2.771 . . . 1.0 . . . . . . . . . . . . A . 19 ASP HB3 . . . . . . . . . c30498_6e5j 1 . 9 . 3927 . 1 1 19 ASP N N 2.609 4.847 -2.998 . . . 1.0 . . . . . . . . . . . . A . 19 ASP N . . . . . . . . . c30498_6e5j 1 . 9 . 3928 . 1 1 19 ASP O O 4.341 7.101 -1.765 . . . 1.0 . . . . . . . . . . . . A . 19 ASP O . . . . . . . . . c30498_6e5j 1 . 9 . 3929 . 1 1 19 ASP OD1 O 3.400 9.225 -4.149 . . . 1.0 . . . . . . . . . . . . A . 19 ASP OD1 . . . . . . . . . c30498_6e5j 1 . 9 . 3930 . 1 1 19 ASP OD2 O 2.678 8.106 -5.895 . . . 1.0 . . . . . . . . . . . . A . 19 ASP OD2 . . . . . . . . . c30498_6e5j 1 . 9 . 3931 . 1 1 20 DPR C C 6.807 5.561 -1.007 . . . 1.0 . . . . . . . . . . . . A . 20 DPR C . . . . . . . . . c30498_6e5j 1 . 9 . 3932 . 1 1 20 DPR CA C 6.899 6.165 -2.404 . . . 1.0 . . . . . . . . . . . . A . 20 DPR CA . . . . . . . . . c30498_6e5j 1 . 9 . 3933 . 1 1 20 DPR CB C 7.987 5.464 -3.218 . . . 1.0 . . . . . . . . . . . . A . 20 DPR CB . . . . . . . . . c30498_6e5j 1 . 9 . 3934 . 1 1 20 DPR CD C 5.929 5.174 -4.399 . . . 1.0 . . . . . . . . . . . . A . 20 DPR CD . . . . . . . . . c30498_6e5j 1 . 9 . 3935 . 1 1 20 DPR CG C 7.414 5.305 -4.582 . . . 1.0 . . . . . . . . . . . . A . 20 DPR CG . . . . . . . . . c30498_6e5j 1 . 9 . 3936 . 1 1 20 DPR HA H 7.131 7.214 -2.329 . . . 1.0 . . . . . . . . . . . . A . 20 DPR HA . . . . . . . . . c30498_6e5j 1 . 9 . 3937 . 1 1 20 DPR HB2 H 8.208 4.507 -2.772 . . . 1.0 . . . . . . . . . . . . A . 20 DPR HB2 . . . . . . . . . c30498_6e5j 1 . 9 . 3938 . 1 1 20 DPR HB3 H 8.876 6.075 -3.233 . . . 1.0 . . . . . . . . . . . . A . 20 DPR HB3 . . . . . . . . . c30498_6e5j 1 . 9 . 3939 . 1 1 20 DPR HD2 H 5.653 4.137 -4.276 . . . 1.0 . . . . . . . . . . . . A . 20 DPR HD2 . . . . . . . . . c30498_6e5j 1 . 9 . 3940 . 1 1 20 DPR HD3 H 5.410 5.609 -5.238 . . . 1.0 . . . . . . . . . . . . A . 20 DPR HD3 . . . . . . . . . c30498_6e5j 1 . 9 . 3941 . 1 1 20 DPR HG2 H 7.815 4.418 -5.048 . . . 1.0 . . . . . . . . . . . . A . 20 DPR HG2 . . . . . . . . . c30498_6e5j 1 . 9 . 3942 . 1 1 20 DPR HG3 H 7.642 6.177 -5.178 . . . 1.0 . . . . . . . . . . . . A . 20 DPR HG3 . . . . . . . . . c30498_6e5j 1 . 9 . 3943 . 1 1 20 DPR N N 5.673 5.937 -3.168 . . . 1.0 . . . . . . . . . . . . A . 20 DPR N . . . . . . . . . c30498_6e5j 1 . 9 . 3944 . 1 1 20 DPR O O 6.447 4.393 -0.844 . . . 1.0 . . . . . . . . . . . . A . 20 DPR O . . . . . . . . . c30498_6e5j 1 . 9 . 3945 . 1 1 21 PRO C C 5.674 5.947 2.001 . . . 1.0 . . . . . . . . . . . . A . 21 PRO C . . . . . . . . . c30498_6e5j 1 . 9 . 3946 . 1 1 21 PRO CA C 7.081 5.903 1.411 . . . 1.0 . . . . . . . . . . . . A . 21 PRO CA . . . . . . . . . c30498_6e5j 1 . 9 . 3947 . 1 1 21 PRO CB C 7.984 6.911 2.111 . . . 1.0 . . . . . . . . . . . . A . 21 PRO CB . . . . . . . . . c30498_6e5j 1 . 9 . 3948 . 1 1 21 PRO CD C 7.555 7.760 -0.088 . . . 1.0 . . . . . . . . . . . . A . 21 PRO CD . . . . . . . . . c30498_6e5j 1 . 9 . 3949 . 1 1 21 PRO CG C 7.797 8.173 1.340 . . . 1.0 . . . . . . . . . . . . A . 21 PRO CG . . . . . . . . . c30498_6e5j 1 . 9 . 3950 . 1 1 21 PRO HA H 7.489 4.911 1.518 . . . 1.0 . . . . . . . . . . . . A . 21 PRO HA . . . . . . . . . c30498_6e5j 1 . 9 . 3951 . 1 1 21 PRO HB2 H 7.674 7.024 3.141 . . . 1.0 . . . . . . . . . . . . A . 21 PRO HB2 . . . . . . . . . c30498_6e5j 1 . 9 . 3952 . 1 1 21 PRO HB3 H 9.009 6.573 2.072 . . . 1.0 . . . . . . . . . . . . A . 21 PRO HB3 . . . . . . . . . c30498_6e5j 1 . 9 . 3953 . 1 1 21 PRO HD2 H 6.780 8.368 -0.532 . . . 1.0 . . . . . . . . . . . . A . 21 PRO HD2 . . . . . . . . . c30498_6e5j 1 . 9 . 3954 . 1 1 21 PRO HD3 H 8.466 7.835 -0.660 . . . 1.0 . . . . . . . . . . . . A . 21 PRO HD3 . . . . . . . . . c30498_6e5j 1 . 9 . 3955 . 1 1 21 PRO HG2 H 6.944 8.712 1.721 . . . 1.0 . . . . . . . . . . . . A . 21 PRO HG2 . . . . . . . . . c30498_6e5j 1 . 9 . 3956 . 1 1 21 PRO HG3 H 8.686 8.781 1.409 . . . 1.0 . . . . . . . . . . . . A . 21 PRO HG3 . . . . . . . . . c30498_6e5j 1 . 9 . 3957 . 1 1 21 PRO N N 7.121 6.354 0.022 . . . 1.0 . . . . . . . . . . . . A . 21 PRO N . . . . . . . . . c30498_6e5j 1 . 9 . 3958 . 1 1 21 PRO O O 5.467 5.624 3.173 . . . 1.0 . . . . . . . . . . . . A . 21 PRO O . . . . . . . . . c30498_6e5j 1 . 9 . 3959 . 1 1 22 ARG C C 2.440 5.435 1.076 . . . 1.0 . . . . . . . . . . . . A . 22 ARG C . . . . . . . . . c30498_6e5j 1 . 9 . 3960 . 1 1 22 ARG CA C 3.345 6.502 1.659 . . . 1.0 . . . . . . . . . . . . A . 22 ARG CA . . . . . . . . . c30498_6e5j 1 . 9 . 3961 . 1 1 22 ARG CB C 2.822 7.896 1.326 . . . 1.0 . . . . . . . . . . . . A . 22 ARG CB . . . . . . . . . c30498_6e5j 1 . 9 . 3962 . 1 1 22 ARG CD C 3.422 8.913 3.544 . . . 1.0 . . . . . . . . . . . . A . 22 ARG CD . . . . . . . . . c30498_6e5j 1 . 9 . 3963 . 1 1 22 ARG CG C 3.587 9.001 2.034 . . . 1.0 . . . . . . . . . . . . A . 22 ARG CG . . . . . . . . . c30498_6e5j 1 . 9 . 3964 . 1 1 22 ARG CZ C 4.450 9.877 5.571 . . . 1.0 . . . . . . . . . . . . A . 22 ARG CZ . . . . . . . . . c30498_6e5j 1 . 9 . 3965 . 1 1 22 ARG H H 4.913 6.532 0.244 . . . 1.0 . . . . . . . . . . . . A . 22 ARG H . . . . . . . . . c30498_6e5j 1 . 9 . 3966 . 1 1 22 ARG HA H 3.359 6.383 2.730 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HA . . . . . . . . . c30498_6e5j 1 . 9 . 3967 . 1 1 22 ARG HB2 H 2.901 8.054 0.261 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HB2 . . . . . . . . . c30498_6e5j 1 . 9 . 3968 . 1 1 22 ARG HB3 H 1.784 7.959 1.618 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HB3 . . . . . . . . . c30498_6e5j 1 . 9 . 3969 . 1 1 22 ARG HD2 H 2.407 9.176 3.799 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HD2 . . . . . . . . . c30498_6e5j 1 . 9 . 3970 . 1 1 22 ARG HD3 H 3.620 7.899 3.860 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HD3 . . . . . . . . . c30498_6e5j 1 . 9 . 3971 . 1 1 22 ARG HE H 4.907 10.395 3.691 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HE . . . . . . . . . c30498_6e5j 1 . 9 . 3972 . 1 1 22 ARG HG2 H 4.635 8.911 1.791 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HG2 . . . . . . . . . c30498_6e5j 1 . 9 . 3973 . 1 1 22 ARG HG3 H 3.218 9.956 1.696 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HG3 . . . . . . . . . c30498_6e5j 1 . 9 . 3974 . 1 1 22 ARG HH11 H 3.744 9.187 7.346 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HH11 . . . . . . . . . c30498_6e5j 1 . 9 . 3975 . 1 1 22 ARG HH12 H 2.956 8.550 5.938 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HH12 . . . . . . . . . c30498_6e5j 1 . 9 . 3976 . 1 1 22 ARG HH21 H 5.442 10.741 7.116 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HH21 . . . . . . . . . c30498_6e5j 1 . 9 . 3977 . 1 1 22 ARG HH22 H 5.937 11.255 5.533 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HH22 . . . . . . . . . c30498_6e5j 1 . 9 . 3978 . 1 1 22 ARG N N 4.707 6.348 1.188 . . . 1.0 . . . . . . . . . . . . A . 22 ARG N . . . . . . . . . c30498_6e5j 1 . 9 . 3979 . 1 1 22 ARG NE N 4.334 9.815 4.245 . . . 1.0 . . . . . . . . . . . . A . 22 ARG NE . . . . . . . . . c30498_6e5j 1 . 9 . 3980 . 1 1 22 ARG NH1 N 3.656 9.144 6.348 . . . 1.0 . . . . . . . . . . . . A . 22 ARG NH1 . . . . . . . . . c30498_6e5j 1 . 9 . 3981 . 1 1 22 ARG NH2 N 5.347 10.689 6.118 . . . 1.0 . . . . . . . . . . . . A . 22 ARG NH2 . . . . . . . . . c30498_6e5j 1 . 9 . 3982 . 1 1 22 ARG O O 2.225 5.361 -0.135 . . . 1.0 . . . . . . . . . . . . A . 22 ARG O . . . . . . . . . c30498_6e5j 1 . 9 . 3983 . 1 1 23 TYR C C -0.390 3.918 1.890 . . . 1.0 . . . . . . . . . . . . A . 23 TYR C . . . . . . . . . c30498_6e5j 1 . 9 . 3984 . 1 1 23 TYR CA C 1.043 3.525 1.585 . . . 1.0 . . . . . . . . . . . . A . 23 TYR CA . . . . . . . . . c30498_6e5j 1 . 9 . 3985 . 1 1 23 TYR CB C 1.424 2.251 2.337 . . . 1.0 . . . . . . . . . . . . A . 23 TYR CB . . . . . . . . . c30498_6e5j 1 . 9 . 3986 . 1 1 23 TYR CD1 C 3.830 2.362 3.091 . . . 1.0 . . . . . . . . . . . . A . 23 TYR CD1 . . . . . . . . . c30498_6e5j 1 . 9 . 3987 . 1 1 23 TYR CD2 C 3.318 1.112 1.130 . . . 1.0 . . . . . . . . . . . . A . 23 TYR CD2 . . . . . . . . . c30498_6e5j 1 . 9 . 3988 . 1 1 23 TYR CE1 C 5.168 2.058 2.943 . . . 1.0 . . . . . . . . . . . . A . 23 TYR CE1 . . . . . . . . . c30498_6e5j 1 . 9 . 3989 . 1 1 23 TYR CE2 C 4.653 0.798 0.978 . . . 1.0 . . . . . . . . . . . . A . 23 TYR CE2 . . . . . . . . . c30498_6e5j 1 . 9 . 3990 . 1 1 23 TYR CG C 2.884 1.897 2.186 . . . 1.0 . . . . . . . . . . . . A . 23 TYR CG . . . . . . . . . c30498_6e5j 1 . 9 . 3991 . 1 1 23 TYR CZ C 5.574 1.273 1.885 . . . 1.0 . . . . . . . . . . . . A . 23 TYR CZ . . . . . . . . . c30498_6e5j 1 . 9 . 3992 . 1 1 23 TYR H H 2.149 4.729 2.905 . . . 1.0 . . . . . . . . . . . . A . 23 TYR H . . . . . . . . . c30498_6e5j 1 . 9 . 3993 . 1 1 23 TYR HA H 1.148 3.356 0.524 . . . 1.0 . . . . . . . . . . . . A . 23 TYR HA . . . . . . . . . c30498_6e5j 1 . 9 . 3994 . 1 1 23 TYR HB2 H 1.219 2.384 3.387 . . . 1.0 . . . . . . . . . . . . A . 23 TYR HB2 . . . . . . . . . c30498_6e5j 1 . 9 . 3995 . 1 1 23 TYR HB3 H 0.839 1.426 1.958 . . . 1.0 . . . . . . . . . . . . A . 23 TYR HB3 . . . . . . . . . c30498_6e5j 1 . 9 . 3996 . 1 1 23 TYR HD1 H 3.507 2.976 3.919 . . . 1.0 . . . . . . . . . . . . A . 23 TYR HD1 . . . . . . . . . c30498_6e5j 1 . 9 . 3997 . 1 1 23 TYR HD2 H 2.594 0.742 0.420 . . . 1.0 . . . . . . . . . . . . A . 23 TYR HD2 . . . . . . . . . c30498_6e5j 1 . 9 . 3998 . 1 1 23 TYR HE1 H 5.886 2.431 3.657 . . . 1.0 . . . . . . . . . . . . A . 23 TYR HE1 . . . . . . . . . c30498_6e5j 1 . 9 . 3999 . 1 1 23 TYR HE2 H 4.969 0.185 0.148 . . . 1.0 . . . . . . . . . . . . A . 23 TYR HE2 . . . . . . . . . c30498_6e5j 1 . 9 . 4000 . 1 1 23 TYR HH H 7.149 1.065 0.795 . . . 1.0 . . . . . . . . . . . . A . 23 TYR HH . . . . . . . . . c30498_6e5j 1 . 9 . 4001 . 1 1 23 TYR N N 1.927 4.605 1.959 . . . 1.0 . . . . . . . . . . . . A . 23 TYR N . . . . . . . . . c30498_6e5j 1 . 9 . 4002 . 1 1 23 TYR O O -0.866 3.780 3.021 . . . 1.0 . . . . . . . . . . . . A . 23 TYR O . . . . . . . . . c30498_6e5j 1 . 9 . 4003 . 1 1 23 TYR OH O 6.908 0.969 1.729 . . . 1.0 . . . . . . . . . . . . A . 23 TYR OH . . . . . . . . . c30498_6e5j 1 . 9 . 4004 . 1 1 24 GLU C C -3.375 3.722 0.944 . . . 1.0 . . . . . . . . . . . . A . 24 GLU C . . . . . . . . . c30498_6e5j 1 . 9 . 4005 . 1 1 24 GLU CA C -2.422 4.906 1.019 . . . 1.0 . . . . . . . . . . . . A . 24 GLU CA . . . . . . . . . c30498_6e5j 1 . 9 . 4006 . 1 1 24 GLU CB C -2.740 5.906 -0.092 . . . 1.0 . . . . . . . . . . . . A . 24 GLU CB . . . . . . . . . c30498_6e5j 1 . 9 . 4007 . 1 1 24 GLU CD C -2.148 8.058 1.093 . . . 1.0 . . . . . . . . . . . . A . 24 GLU CD . . . . . . . . . c30498_6e5j 1 . 9 . 4008 . 1 1 24 GLU CG C -1.855 7.142 -0.075 . . . 1.0 . . . . . . . . . . . . A . 24 GLU CG . . . . . . . . . c30498_6e5j 1 . 9 . 4009 . 1 1 24 GLU H H -0.628 4.479 -0.002 . . . 1.0 . . . . . . . . . . . . A . 24 GLU H . . . . . . . . . c30498_6e5j 1 . 9 . 4010 . 1 1 24 GLU HA H -2.518 5.391 1.978 . . . 1.0 . . . . . . . . . . . . A . 24 GLU HA . . . . . . . . . c30498_6e5j 1 . 9 . 4011 . 1 1 24 GLU HB2 H -2.616 5.415 -1.043 . . . 1.0 . . . . . . . . . . . . A . 24 GLU HB2 . . . . . . . . . c30498_6e5j 1 . 9 . 4012 . 1 1 24 GLU HB3 H -3.767 6.222 0.007 . . . 1.0 . . . . . . . . . . . . A . 24 GLU HB3 . . . . . . . . . c30498_6e5j 1 . 9 . 4013 . 1 1 24 GLU HG2 H -0.825 6.830 -0.012 . . . 1.0 . . . . . . . . . . . . A . 24 GLU HG2 . . . . . . . . . c30498_6e5j 1 . 9 . 4014 . 1 1 24 GLU HG3 H -2.008 7.692 -0.991 . . . 1.0 . . . . . . . . . . . . A . 24 GLU HG3 . . . . . . . . . c30498_6e5j 1 . 9 . 4015 . 1 1 24 GLU N N -1.059 4.436 0.880 . . . 1.0 . . . . . . . . . . . . A . 24 GLU N . . . . . . . . . c30498_6e5j 1 . 9 . 4016 . 1 1 24 GLU O O -3.348 2.980 -0.028 . . . 1.0 . . . . . . . . . . . . A . 24 GLU O . . . . . . . . . c30498_6e5j 1 . 9 . 4017 . 1 1 24 GLU OE1 O -3.009 8.954 0.945 . . . 1.0 . . . . . . . . . . . . A . 24 GLU OE1 . . . . . . . . . c30498_6e5j 1 . 9 . 4018 . 1 1 24 GLU OE2 O -1.517 7.900 2.159 . . . 1.0 . . . . . . . . . . . . A . 24 GLU OE2 . . . . . . . . . c30498_6e5j 1 . 9 . 4019 . 1 1 25 MVA C C -6.438 2.542 2.640 . . . 1.0 . . . . . . . . . . . . A . 25 MVA C . . . . . . . . . c30498_6e5j 1 . 9 . 4020 . 1 1 25 MVA CA C -5.086 2.321 1.960 . . . 1.0 . . . . . . . . . . . . A . 25 MVA CA . . . . . . . . . c30498_6e5j 1 . 9 . 4021 . 1 1 25 MVA CB C -4.365 1.098 2.599 . . . 1.0 . . . . . . . . . . . . A . 25 MVA CB . . . . . . . . . c30498_6e5j 1 . 9 . 4022 . 1 1 25 MVA CG1 C -3.808 1.412 3.980 . . . 1.0 . . . . . . . . . . . . A . 25 MVA CG1 . . . . . . . . . c30498_6e5j 1 . 9 . 4023 . 1 1 25 MVA CG2 C -5.304 -0.099 2.663 . . . 1.0 . . . . . . . . . . . . A . 25 MVA CG2 . . . . . . . . . c30498_6e5j 1 . 9 . 4024 . 1 1 25 MVA CN C -4.355 4.539 3.023 . . . 1.0 . . . . . . . . . . . . A . 25 MVA CN . . . . . . . . . c30498_6e5j 1 . 9 . 4025 . 1 1 25 MVA HA H -5.301 2.046 0.936 . . . 1.0 . . . . . . . . . . . . A . 25 MVA HA . . . . . . . . . c30498_6e5j 1 . 9 . 4026 . 1 1 25 MVA HB H -3.535 0.832 1.963 . . . 1.0 . . . . . . . . . . . . A . 25 MVA HB . . . . . . . . . c30498_6e5j 1 . 9 . 4027 . 1 1 25 MVA HG11 H -4.609 1.742 4.624 . . . 1.0 . . . . . . . . . . . . A . 25 MVA HG11 . . . . . . . . . c30498_6e5j 1 . 9 . 4028 . 1 1 25 MVA HG12 H -3.064 2.190 3.899 . . . 1.0 . . . . . . . . . . . . A . 25 MVA HG12 . . . . . . . . . c30498_6e5j 1 . 9 . 4029 . 1 1 25 MVA HG13 H -3.357 0.522 4.396 . . . 1.0 . . . . . . . . . . . . A . 25 MVA HG13 . . . . . . . . . c30498_6e5j 1 . 9 . 4030 . 1 1 25 MVA HG21 H -6.155 0.144 3.283 . . . 1.0 . . . . . . . . . . . . A . 25 MVA HG21 . . . . . . . . . c30498_6e5j 1 . 9 . 4031 . 1 1 25 MVA HG22 H -4.782 -0.945 3.085 . . . 1.0 . . . . . . . . . . . . A . 25 MVA HG22 . . . . . . . . . c30498_6e5j 1 . 9 . 4032 . 1 1 25 MVA HG23 H -5.643 -0.343 1.667 . . . 1.0 . . . . . . . . . . . . A . 25 MVA HG23 . . . . . . . . . c30498_6e5j 1 . 9 . 4033 . 1 1 25 MVA HN1 H -5.187 4.291 3.662 . . . 1.0 . . . . . . . . . . . . A . 25 MVA HN1 . . . . . . . . . c30498_6e5j 1 . 9 . 4034 . 1 1 25 MVA HN2 H -4.517 5.511 2.582 . . . 1.0 . . . . . . . . . . . . A . 25 MVA HN2 . . . . . . . . . c30498_6e5j 1 . 9 . 4035 . 1 1 25 MVA HN3 H -3.448 4.554 3.608 . . . 1.0 . . . . . . . . . . . . A . 25 MVA HN3 . . . . . . . . . c30498_6e5j 1 . 9 . 4036 . 1 1 25 MVA N N -4.235 3.523 1.951 . . . 1.0 . . . . . . . . . . . . A . 25 MVA N . . . . . . . . . c30498_6e5j 1 . 9 . 4037 . 1 1 25 MVA O O -6.541 2.740 3.852 . . . 1.0 . . . . . . . . . . . . A . 25 MVA O . . . . . . . . . c30498_6e5j 1 . 9 . 4038 . 1 1 26 HIS C C -9.540 1.277 2.132 . . . 1.0 . . . . . . . . . . . . A . 26 HIS C . . . . . . . . . c30498_6e5j 1 . 9 . 4039 . 1 1 26 HIS CA C -8.843 2.613 2.300 . . . 1.0 . . . . . . . . . . . . A . 26 HIS CA . . . . . . . . . c30498_6e5j 1 . 9 . 4040 . 1 1 26 HIS CB C -9.595 3.693 1.516 . . . 1.0 . . . . . . . . . . . . A . 26 HIS CB . . . . . . . . . c30498_6e5j 1 . 9 . 4041 . 1 1 26 HIS CD2 C -8.029 5.731 1.127 . . . 1.0 . . . . . . . . . . . . A . 26 HIS CD2 . . . . . . . . . c30498_6e5j 1 . 9 . 4042 . 1 1 26 HIS CE1 C -8.945 7.118 2.556 . . . 1.0 . . . . . . . . . . . . A . 26 HIS CE1 . . . . . . . . . c30498_6e5j 1 . 9 . 4043 . 1 1 26 HIS CG C -9.065 5.083 1.716 . . . 1.0 . . . . . . . . . . . . A . 26 HIS CG . . . . . . . . . c30498_6e5j 1 . 9 . 4044 . 1 1 26 HIS H H -7.321 2.309 0.872 . . . 1.0 . . . . . . . . . . . . A . 26 HIS H . . . . . . . . . c30498_6e5j 1 . 9 . 4045 . 1 1 26 HIS HA H -8.820 2.875 3.347 . . . 1.0 . . . . . . . . . . . . A . 26 HIS HA . . . . . . . . . c30498_6e5j 1 . 9 . 4046 . 1 1 26 HIS HB2 H -9.537 3.465 0.462 . . . 1.0 . . . . . . . . . . . . A . 26 HIS HB2 . . . . . . . . . c30498_6e5j 1 . 9 . 4047 . 1 1 26 HIS HB3 H -10.630 3.687 1.820 . . . 1.0 . . . . . . . . . . . . A . 26 HIS HB3 . . . . . . . . . c30498_6e5j 1 . 9 . 4048 . 1 1 26 HIS HD1 H -10.393 5.815 3.188 . . . 1.0 . . . . . . . . . . . . A . 26 HIS HD1 . . . . . . . . . c30498_6e5j 1 . 9 . 4049 . 1 1 26 HIS HD2 H -7.373 5.331 0.368 . . . 1.0 . . . . . . . . . . . . A . 26 HIS HD2 . . . . . . . . . c30498_6e5j 1 . 9 . 4050 . 1 1 26 HIS HE1 H -9.153 8.002 3.140 . . . 1.0 . . . . . . . . . . . . A . 26 HIS HE1 . . . . . . . . . c30498_6e5j 1 . 9 . 4051 . 1 1 26 HIS HE2 H -7.278 7.659 1.489 . . . 1.0 . . . . . . . . . . . . A . 26 HIS HE2 . . . . . . . . . c30498_6e5j 1 . 9 . 4052 . 1 1 26 HIS N N -7.478 2.484 1.829 . . . 1.0 . . . . . . . . . . . . A . 26 HIS N . . . . . . . . . c30498_6e5j 1 . 9 . 4053 . 1 1 26 HIS ND1 N -9.617 5.983 2.606 . . . 1.0 . . . . . . . . . . . . A . 26 HIS ND1 . . . . . . . . . c30498_6e5j 1 . 9 . 4054 . 1 1 26 HIS NE2 N -7.977 6.991 1.667 . . . 1.0 . . . . . . . . . . . . A . 26 HIS NE2 . . . . . . . . . c30498_6e5j 1 . 9 . 4055 . 1 1 26 HIS O O -9.568 0.721 1.036 . . . 1.0 . . . . . . . . . . . . A . 26 HIS O . . . . . . . . . c30498_6e5j 1 . 9 . 4056 . 1 1 27 CYS C C -12.046 -0.554 3.827 . . . 1.0 . . . . . . . . . . . . A . 27 CYS C . . . . . . . . . c30498_6e5j 1 . 9 . 4057 . 1 1 27 CYS CA C -10.677 -0.569 3.162 . . . 1.0 . . . . . . . . . . . . A . 27 CYS CA . . . . . . . . . c30498_6e5j 1 . 9 . 4058 . 1 1 27 CYS CB C -9.755 -1.578 3.846 . . . 1.0 . . . . . . . . . . . . A . 27 CYS CB . . . . . . . . . c30498_6e5j 1 . 9 . 4059 . 1 1 27 CYS H H -10.083 1.253 4.048 . . . 1.0 . . . . . . . . . . . . A . 27 CYS H . . . . . . . . . c30498_6e5j 1 . 9 . 4060 . 1 1 27 CYS HA H -10.793 -0.846 2.126 . . . 1.0 . . . . . . . . . . . . A . 27 CYS HA . . . . . . . . . c30498_6e5j 1 . 9 . 4061 . 1 1 27 CYS HB2 H -8.730 -1.330 3.614 . . . 1.0 . . . . . . . . . . . . A . 27 CYS HB2 . . . . . . . . . c30498_6e5j 1 . 9 . 4062 . 1 1 27 CYS HB3 H -9.901 -1.518 4.912 . . . 1.0 . . . . . . . . . . . . A . 27 CYS HB3 . . . . . . . . . c30498_6e5j 1 . 9 . 4063 . 1 1 27 CYS N N -10.081 0.748 3.207 . . . 1.0 . . . . . . . . . . . . A . 27 CYS N . . . . . . . . . c30498_6e5j 1 . 9 . 4064 . 1 1 27 CYS O O -12.177 -0.813 5.025 . . . 1.0 . . . . . . . . . . . . A . 27 CYS O . . . . . . . . . c30498_6e5j 1 . 9 . 4065 . 1 1 27 CYS SG S -10.035 -3.304 3.342 . . . 1.0 . . . . . . . . . . . . A . 27 CYS SG . . . . . . . . . c30498_6e5j 1 . 9 . 4066 . 1 1 28 NH2 HN1 H -12.888 -0.044 2.105 . . . 1.0 . . . . . . . . . . . . A . 28 NH2 HN1 . . . . . . . . . c30498_6e5j 1 . 9 . 4067 . 1 1 28 NH2 HN2 H -13.961 -0.220 3.448 . . . 1.0 . . . . . . . . . . . . A . 28 NH2 HN2 . . . . . . . . . c30498_6e5j 1 . 9 . 4068 . 1 1 28 NH2 N N -13.066 -0.241 3.050 . . . 1.0 . . . . . . . . . . . . A . 28 NH2 N . . . . . . . . . c30498_6e5j 1 . 10 . 4069 . 1 1 1 ASN C C 10.957 -3.293 -1.694 . . . 1.0 . . . . . . . . . . . . A . 1 ASN C . . . . . . . . . c30498_6e5j 1 . 10 . 4070 . 1 1 1 ASN CA C 12.038 -2.600 -0.875 . . . 1.0 . . . . . . . . . . . . A . 1 ASN CA . . . . . . . . . c30498_6e5j 1 . 10 . 4071 . 1 1 1 ASN CB C 11.985 -1.090 -1.130 . . . 1.0 . . . . . . . . . . . . A . 1 ASN CB . . . . . . . . . c30498_6e5j 1 . 10 . 4072 . 1 1 1 ASN CG C 12.975 -0.323 -0.279 . . . 1.0 . . . . . . . . . . . . A . 1 ASN CG . . . . . . . . . c30498_6e5j 1 . 10 . 4073 . 1 1 1 ASN H1 H 13.407 -4.164 -0.988 . . . 1.0 . . . . . . . . . . . . A . 1 ASN H1 . . . . . . . . . c30498_6e5j 1 . 10 . 4074 . 1 1 1 ASN H2 H 14.111 -2.661 -0.662 . . . 1.0 . . . . . . . . . . . . A . 1 ASN H2 . . . . . . . . . c30498_6e5j 1 . 10 . 4075 . 1 1 1 ASN H3 H 13.566 -3.021 -2.223 . . . 1.0 . . . . . . . . . . . . A . 1 ASN H3 . . . . . . . . . c30498_6e5j 1 . 10 . 4076 . 1 1 1 ASN HA H 11.851 -2.787 0.172 . . . 1.0 . . . . . . . . . . . . A . 1 ASN HA . . . . . . . . . c30498_6e5j 1 . 10 . 4077 . 1 1 1 ASN HB2 H 12.208 -0.899 -2.168 . . . 1.0 . . . . . . . . . . . . A . 1 ASN HB2 . . . . . . . . . c30498_6e5j 1 . 10 . 4078 . 1 1 1 ASN HB3 H 10.992 -0.730 -0.907 . . . 1.0 . . . . . . . . . . . . A . 1 ASN HB3 . . . . . . . . . c30498_6e5j 1 . 10 . 4079 . 1 1 1 ASN HD21 H 13.093 1.109 -1.654 . . . 1.0 . . . . . . . . . . . . A . 1 ASN HD21 . . . . . . . . . c30498_6e5j 1 . 10 . 4080 . 1 1 1 ASN HD22 H 14.076 1.328 -0.245 . . . 1.0 . . . . . . . . . . . . A . 1 ASN HD22 . . . . . . . . . c30498_6e5j 1 . 10 . 4081 . 1 1 1 ASN N N 13.374 -3.148 -1.210 . . . 1.0 . . . . . . . . . . . . A . 1 ASN N . . . . . . . . . c30498_6e5j 1 . 10 . 4082 . 1 1 1 ASN ND2 N 13.423 0.820 -0.773 . . . 1.0 . . . . . . . . . . . . A . 1 ASN ND2 . . . . . . . . . c30498_6e5j 1 . 10 . 4083 . 1 1 1 ASN O O 10.430 -2.731 -2.656 . . . 1.0 . . . . . . . . . . . . A . 1 ASN O . . . . . . . . . c30498_6e5j 1 . 10 . 4084 . 1 1 1 ASN OD1 O 13.327 -0.752 0.819 . . . 1.0 . . . . . . . . . . . . A . 1 ASN OD1 . . . . . . . . . c30498_6e5j 1 . 10 . 4085 . 1 1 2 ASP C C 8.233 -4.978 -1.401 . . . 1.0 . . . . . . . . . . . . A . 2 ASP C . . . . . . . . . c30498_6e5j 1 . 10 . 4086 . 1 1 2 ASP CA C 9.600 -5.286 -1.995 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CA . . . . . . . . . c30498_6e5j 1 . 10 . 4087 . 1 1 2 ASP CB C 9.888 -6.787 -1.903 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CB . . . . . . . . . c30498_6e5j 1 . 10 . 4088 . 1 1 2 ASP CG C 9.771 -7.325 -0.491 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CG . . . . . . . . . c30498_6e5j 1 . 10 . 4089 . 1 1 2 ASP H H 11.113 -4.928 -0.559 . . . 1.0 . . . . . . . . . . . . A . 2 ASP H . . . . . . . . . c30498_6e5j 1 . 10 . 4090 . 1 1 2 ASP HA H 9.599 -4.991 -3.033 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HA . . . . . . . . . c30498_6e5j 1 . 10 . 4091 . 1 1 2 ASP HB2 H 9.185 -7.317 -2.527 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HB2 . . . . . . . . . c30498_6e5j 1 . 10 . 4092 . 1 1 2 ASP HB3 H 10.890 -6.975 -2.258 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HB3 . . . . . . . . . c30498_6e5j 1 . 10 . 4093 . 1 1 2 ASP N N 10.635 -4.518 -1.314 . . . 1.0 . . . . . . . . . . . . A . 2 ASP N . . . . . . . . . c30498_6e5j 1 . 10 . 4094 . 1 1 2 ASP O O 7.198 -5.378 -1.939 . . . 1.0 . . . . . . . . . . . . A . 2 ASP O . . . . . . . . . c30498_6e5j 1 . 10 . 4095 . 1 1 2 ASP OD1 O 8.994 -8.280 -0.273 . . . 1.0 . . . . . . . . . . . . A . 2 ASP OD1 . . . . . . . . . c30498_6e5j 1 . 10 . 4096 . 1 1 2 ASP OD2 O 10.434 -6.781 0.414 . . . 1.0 . . . . . . . . . . . . A . 2 ASP OD2 . . . . . . . . . c30498_6e5j 1 . 10 . 4097 . 1 1 3 B3K C C 5.428 -2.143 -0.502 . . . 1.0 . . . . . . . . . . . . A . 3 B3K C . . . . . . . . . c30498_6e5j 1 . 10 . 4098 . 1 1 3 B3K CA C 6.733 -2.399 0.204 . . . 1.0 . . . . . . . . . . . . A . 3 B3K CA . . . . . . . . . c30498_6e5j 1 . 10 . 4099 . 1 1 3 B3K CB C 6.994 -3.892 0.366 . . . 1.0 . . . . . . . . . . . . A . 3 B3K CB . . . . . . . . . c30498_6e5j 1 . 10 . 4100 . 1 1 3 B3K CD C 7.172 -5.694 2.170 . . . 1.0 . . . . . . . . . . . . A . 3 B3K CD . . . . . . . . . c30498_6e5j 1 . 10 . 4101 . 1 1 3 B3K CE C 7.214 -5.936 3.667 . . . 1.0 . . . . . . . . . . . . A . 3 B3K CE . . . . . . . . . c30498_6e5j 1 . 10 . 4102 . 1 1 3 B3K CF C 7.369 -7.409 3.996 . . . 1.0 . . . . . . . . . . . . A . 3 B3K CF . . . . . . . . . c30498_6e5j 1 . 10 . 4103 . 1 1 3 B3K CG C 7.037 -4.213 1.861 . . . 1.0 . . . . . . . . . . . . A . 3 B3K CG . . . . . . . . . c30498_6e5j 1 . 10 . 4104 . 1 1 3 B3K H H 9.084 -4.010 0.124 . . . 1.0 . . . . . . . . . . . . A . 3 B3K H . . . . . . . . . c30498_6e5j 1 . 10 . 4105 . 1 1 3 B3K HA1 H 6.694 -1.940 1.179 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HA1 . . . . . . . . . c30498_6e5j 1 . 10 . 4106 . 1 1 3 B3K HA2 H 7.531 -1.954 -0.373 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HA2 . . . . . . . . . c30498_6e5j 1 . 10 . 4107 . 1 1 3 B3K HB H 6.197 -4.448 -0.127 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HB . . . . . . . . . c30498_6e5j 1 . 10 . 4108 . 1 1 3 B3K HD2 H 8.084 -6.065 1.726 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HD2 . . . . . . . . . c30498_6e5j 1 . 10 . 4109 . 1 1 3 B3K HD3 H 6.325 -6.218 1.753 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HD3 . . . . . . . . . c30498_6e5j 1 . 10 . 4110 . 1 1 3 B3K HE2 H 6.297 -5.571 4.107 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HE2 . . . . . . . . . c30498_6e5j 1 . 10 . 4111 . 1 1 3 B3K HE3 H 8.052 -5.398 4.082 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HE3 . . . . . . . . . c30498_6e5j 1 . 10 . 4112 . 1 1 3 B3K HF1 H 8.269 -7.776 3.527 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HF1 . . . . . . . . . c30498_6e5j 1 . 10 . 4113 . 1 1 3 B3K HF2 H 6.517 -7.943 3.605 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HF2 . . . . . . . . . c30498_6e5j 1 . 10 . 4114 . 1 1 3 B3K HG2 H 6.127 -3.854 2.320 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HG2 . . . . . . . . . c30498_6e5j 1 . 10 . 4115 . 1 1 3 B3K HG3 H 7.878 -3.699 2.303 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HG3 . . . . . . . . . c30498_6e5j 1 . 10 . 4116 . 1 1 3 B3K HNZ1 H 7.571 -8.658 5.658 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HNZ1 . . . . . . . . . c30498_6e5j 1 . 10 . 4117 . 1 1 3 B3K HNZ2 H 6.591 -7.308 5.930 . . . 1.0 . . . . . . . . . . . . A . 3 B3K HNZ2 . . . . . . . . . c30498_6e5j 1 . 10 . 4118 . 1 1 3 B3K N N 8.232 -4.272 -0.278 . . . 1.0 . . . . . . . . . . . . A . 3 B3K N . . . . . . . . . c30498_6e5j 1 . 10 . 4119 . 1 1 3 B3K NZ N 7.457 -7.642 5.462 . . . 1.0 . . . . . . . . . . . . A . 3 B3K NZ . . . . . . . . . c30498_6e5j 1 . 10 . 4120 . 1 1 3 B3K O O 4.350 -2.415 0.033 . . . 1.0 . . . . . . . . . . . . A . 3 B3K O . . . . . . . . . c30498_6e5j 1 . 10 . 4121 . 1 1 4 CYS C C 3.840 -2.781 -3.040 . . . 1.0 . . . . . . . . . . . . A . 4 CYS C . . . . . . . . . c30498_6e5j 1 . 10 . 4122 . 1 1 4 CYS CA C 4.353 -1.440 -2.545 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CA . . . . . . . . . c30498_6e5j 1 . 10 . 4123 . 1 1 4 CYS CB C 4.664 -0.522 -3.729 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CB . . . . . . . . . c30498_6e5j 1 . 10 . 4124 . 1 1 4 CYS H H 6.408 -1.393 -2.073 . . . 1.0 . . . . . . . . . . . . A . 4 CYS H . . . . . . . . . c30498_6e5j 1 . 10 . 4125 . 1 1 4 CYS HA H 3.592 -0.982 -1.933 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HA . . . . . . . . . c30498_6e5j 1 . 10 . 4126 . 1 1 4 CYS HB2 H 5.466 -0.950 -4.310 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB2 . . . . . . . . . c30498_6e5j 1 . 10 . 4127 . 1 1 4 CYS HB3 H 3.783 -0.437 -4.346 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB3 . . . . . . . . . c30498_6e5j 1 . 10 . 4128 . 1 1 4 CYS N N 5.524 -1.636 -1.720 . . . 1.0 . . . . . . . . . . . . A . 4 CYS N . . . . . . . . . c30498_6e5j 1 . 10 . 4129 . 1 1 4 CYS O O 2.672 -3.099 -2.844 . . . 1.0 . . . . . . . . . . . . A . 4 CYS O . . . . . . . . . c30498_6e5j 1 . 10 . 4130 . 1 1 4 CYS SG S 5.164 1.159 -3.249 . . . 1.0 . . . . . . . . . . . . A . 4 CYS SG . . . . . . . . . c30498_6e5j 1 . 10 . 4131 . 1 1 5 LYS C C 3.646 -5.727 -3.179 . . . 1.0 . . . . . . . . . . . . A . 5 LYS C . . . . . . . . . c30498_6e5j 1 . 10 . 4132 . 1 1 5 LYS CA C 4.367 -4.868 -4.212 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CA . . . . . . . . . c30498_6e5j 1 . 10 . 4133 . 1 1 5 LYS CB C 5.606 -5.601 -4.734 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CB . . . . . . . . . c30498_6e5j 1 . 10 . 4134 . 1 1 5 LYS CD C 7.660 -5.563 -6.175 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CD . . . . . . . . . c30498_6e5j 1 . 10 . 4135 . 1 1 5 LYS CE C 8.557 -4.713 -7.061 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CE . . . . . . . . . c30498_6e5j 1 . 10 . 4136 . 1 1 5 LYS CG C 6.396 -4.820 -5.771 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CG . . . . . . . . . c30498_6e5j 1 . 10 . 4137 . 1 1 5 LYS H H 5.677 -3.298 -3.661 . . . 1.0 . . . . . . . . . . . . A . 5 LYS H . . . . . . . . . c30498_6e5j 1 . 10 . 4138 . 1 1 5 LYS HA H 3.695 -4.679 -5.036 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HA . . . . . . . . . c30498_6e5j 1 . 10 . 4139 . 1 1 5 LYS HB2 H 6.260 -5.812 -3.901 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HB2 . . . . . . . . . c30498_6e5j 1 . 10 . 4140 . 1 1 5 LYS HB3 H 5.293 -6.534 -5.179 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HB3 . . . . . . . . . c30498_6e5j 1 . 10 . 4141 . 1 1 5 LYS HD2 H 8.205 -5.833 -5.284 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HD2 . . . . . . . . . c30498_6e5j 1 . 10 . 4142 . 1 1 5 LYS HD3 H 7.380 -6.457 -6.713 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HD3 . . . . . . . . . c30498_6e5j 1 . 10 . 4143 . 1 1 5 LYS HE2 H 8.780 -3.793 -6.545 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HE2 . . . . . . . . . c30498_6e5j 1 . 10 . 4144 . 1 1 5 LYS HE3 H 9.476 -5.253 -7.241 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HE3 . . . . . . . . . c30498_6e5j 1 . 10 . 4145 . 1 1 5 LYS HG2 H 5.780 -4.674 -6.645 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HG2 . . . . . . . . . c30498_6e5j 1 . 10 . 4146 . 1 1 5 LYS HG3 H 6.669 -3.862 -5.356 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HG3 . . . . . . . . . c30498_6e5j 1 . 10 . 4147 . 1 1 5 LYS HZ1 H 7.036 -3.871 -8.219 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ1 . . . . . . . . . c30498_6e5j 1 . 10 . 4148 . 1 1 5 LYS HZ2 H 7.719 -5.264 -8.892 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ2 . . . . . . . . . c30498_6e5j 1 . 10 . 4149 . 1 1 5 LYS HZ3 H 8.565 -3.802 -8.938 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ3 . . . . . . . . . c30498_6e5j 1 . 10 . 4150 . 1 1 5 LYS N N 4.736 -3.578 -3.632 . . . 1.0 . . . . . . . . . . . . A . 5 LYS N . . . . . . . . . c30498_6e5j 1 . 10 . 4151 . 1 1 5 LYS NZ N 7.924 -4.389 -8.367 . . . 1.0 . . . . . . . . . . . . A . 5 LYS NZ . . . . . . . . . c30498_6e5j 1 . 10 . 4152 . 1 1 5 LYS O O 2.441 -5.965 -3.289 . . . 1.0 . . . . . . . . . . . . A . 5 LYS O . . . . . . . . . c30498_6e5j 1 . 10 . 4153 . 1 1 6 B3E C C 2.586 -5.782 0.749 . . . 1.0 . . . . . . . . . . . . A . 6 B3E C . . . . . . . . . c30498_6e5j 1 . 10 . 4154 . 1 1 6 B3E CA C 3.906 -6.281 0.219 . . . 1.0 . . . . . . . . . . . . A . 6 B3E CA . . . . . . . . . c30498_6e5j 1 . 10 . 4155 . 1 1 6 B3E CB C 3.775 -6.978 -1.130 . . . 1.0 . . . . . . . . . . . . A . 6 B3E CB . . . . . . . . . c30498_6e5j 1 . 10 . 4156 . 1 1 6 B3E CD C 4.442 -9.152 -2.299 . . . 1.0 . . . . . . . . . . . . A . 6 B3E CD . . . . . . . . . c30498_6e5j 1 . 10 . 4157 . 1 1 6 B3E CE C 4.924 -10.569 -2.089 . . . 1.0 . . . . . . . . . . . . A . 6 B3E CE . . . . . . . . . c30498_6e5j 1 . 10 . 4158 . 1 1 6 B3E CG C 4.470 -8.338 -1.016 . . . 1.0 . . . . . . . . . . . . A . 6 B3E CG . . . . . . . . . c30498_6e5j 1 . 10 . 4159 . 1 1 6 B3E H H 5.341 -5.976 -2.135 . . . 1.0 . . . . . . . . . . . . A . 6 B3E H . . . . . . . . . c30498_6e5j 1 . 10 . 4160 . 1 1 6 B3E HA1 H 4.316 -6.978 0.933 . . . 1.0 . . . . . . . . . . . . A . 6 B3E HA1 . . . . . . . . . c30498_6e5j 1 . 10 . 4161 . 1 1 6 B3E HA2 H 4.571 -5.439 0.121 . . . 1.0 . . . . . . . . . . . . A . 6 B3E HA2 . . . . . . . . . c30498_6e5j 1 . 10 . 4162 . 1 1 6 B3E HB H 2.712 -7.081 -1.390 . . . 1.0 . . . . . . . . . . . . A . 6 B3E HB . . . . . . . . . c30498_6e5j 1 . 10 . 4163 . 1 1 6 B3E HD2 H 5.079 -8.674 -3.028 . . . 1.0 . . . . . . . . . . . . A . 6 B3E HD2 . . . . . . . . . c30498_6e5j 1 . 10 . 4164 . 1 1 6 B3E HD3 H 3.430 -9.182 -2.670 . . . 1.0 . . . . . . . . . . . . A . 6 B3E HD3 . . . . . . . . . c30498_6e5j 1 . 10 . 4165 . 1 1 6 B3E HG2 H 3.984 -8.912 -0.242 . . . 1.0 . . . . . . . . . . . . A . 6 B3E HG2 . . . . . . . . . c30498_6e5j 1 . 10 . 4166 . 1 1 6 B3E HG3 H 5.502 -8.181 -0.739 . . . 1.0 . . . . . . . . . . . . A . 6 B3E HG3 . . . . . . . . . c30498_6e5j 1 . 10 . 4167 . 1 1 6 B3E N N 4.378 -6.184 -2.173 . . . 1.0 . . . . . . . . . . . . A . 6 B3E N . . . . . . . . . c30498_6e5j 1 . 10 . 4168 . 1 1 6 B3E O O 1.701 -6.560 1.125 . . . 1.0 . . . . . . . . . . . . A . 6 B3E O . . . . . . . . . c30498_6e5j 1 . 10 . 4169 . 1 1 6 B3E OF1 O 4.075 -11.465 -1.909 . . . 1.0 . . . . . . . . . . . . A . 6 B3E OF1 . . . . . . . . . c30498_6e5j 1 . 10 . 4170 . 1 1 6 B3E OF2 O 6.149 -10.798 -2.089 . . . 1.0 . . . . . . . . . . . . A . 6 B3E OF2 . . . . . . . . . c30498_6e5j 1 . 10 . 4171 . 1 1 7 LEU C C 0.118 -3.896 0.261 . . . 1.0 . . . . . . . . . . . . A . 7 LEU C . . . . . . . . . c30498_6e5j 1 . 10 . 4172 . 1 1 7 LEU CA C 1.243 -3.851 1.286 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CA . . . . . . . . . c30498_6e5j 1 . 10 . 4173 . 1 1 7 LEU CB C 1.521 -2.419 1.743 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CB . . . . . . . . . c30498_6e5j 1 . 10 . 4174 . 1 1 7 LEU CD1 C 2.734 -0.851 3.280 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CD1 . . . . . . . . . c30498_6e5j 1 . 10 . 4175 . 1 1 7 LEU CD2 C 2.181 -3.152 4.062 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CD2 . . . . . . . . . c30498_6e5j 1 . 10 . 4176 . 1 1 7 LEU CG C 2.563 -2.297 2.860 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CG . . . . . . . . . c30498_6e5j 1 . 10 . 4177 . 1 1 7 LEU H H 3.161 -3.892 0.413 . . . 1.0 . . . . . . . . . . . . A . 7 LEU H . . . . . . . . . c30498_6e5j 1 . 10 . 4178 . 1 1 7 LEU HA H 0.936 -4.431 2.142 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HA . . . . . . . . . c30498_6e5j 1 . 10 . 4179 . 1 1 7 LEU HB2 H 1.863 -1.851 0.890 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HB2 . . . . . . . . . c30498_6e5j 1 . 10 . 4180 . 1 1 7 LEU HB3 H 0.597 -1.989 2.096 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HB3 . . . . . . . . . c30498_6e5j 1 . 10 . 4181 . 1 1 7 LEU HD11 H 3.469 -0.790 4.068 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD11 . . . . . . . . . c30498_6e5j 1 . 10 . 4182 . 1 1 7 LEU HD12 H 1.789 -0.468 3.637 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD12 . . . . . . . . . c30498_6e5j 1 . 10 . 4183 . 1 1 7 LEU HD13 H 3.064 -0.269 2.432 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD13 . . . . . . . . . c30498_6e5j 1 . 10 . 4184 . 1 1 7 LEU HD21 H 2.214 -4.196 3.790 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD21 . . . . . . . . . c30498_6e5j 1 . 10 . 4185 . 1 1 7 LEU HD22 H 1.183 -2.895 4.382 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD22 . . . . . . . . . c30498_6e5j 1 . 10 . 4186 . 1 1 7 LEU HD23 H 2.875 -2.967 4.868 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD23 . . . . . . . . . c30498_6e5j 1 . 10 . 4187 . 1 1 7 LEU HG H 3.516 -2.649 2.492 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HG . . . . . . . . . c30498_6e5j 1 . 10 . 4188 . 1 1 7 LEU N N 2.441 -4.465 0.764 . . . 1.0 . . . . . . . . . . . . A . 7 LEU N . . . . . . . . . c30498_6e5j 1 . 10 . 4189 . 1 1 7 LEU O O -1.012 -4.210 0.619 . . . 1.0 . . . . . . . . . . . . A . 7 LEU O . . . . . . . . . c30498_6e5j 1 . 10 . 4190 . 1 1 8 LYS C C -1.153 -5.128 -2.075 . . . 1.0 . . . . . . . . . . . . A . 8 LYS C . . . . . . . . . c30498_6e5j 1 . 10 . 4191 . 1 1 8 LYS CA C -0.619 -3.706 -2.036 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CA . . . . . . . . . c30498_6e5j 1 . 10 . 4192 . 1 1 8 LYS CB C -0.107 -3.277 -3.416 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CB . . . . . . . . . c30498_6e5j 1 . 10 . 4193 . 1 1 8 LYS CD C -0.690 -2.723 -5.806 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CD . . . . . . . . . c30498_6e5j 1 . 10 . 4194 . 1 1 8 LYS CE C 0.451 -3.525 -6.413 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CE . . . . . . . . . c30498_6e5j 1 . 10 . 4195 . 1 1 8 LYS CG C -1.176 -3.323 -4.496 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CG . . . . . . . . . c30498_6e5j 1 . 10 . 4196 . 1 1 8 LYS H H 1.329 -3.356 -1.263 . . . 1.0 . . . . . . . . . . . . A . 8 LYS H . . . . . . . . . c30498_6e5j 1 . 10 . 4197 . 1 1 8 LYS HA H -1.421 -3.048 -1.740 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HA . . . . . . . . . c30498_6e5j 1 . 10 . 4198 . 1 1 8 LYS HB2 H 0.266 -2.265 -3.351 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB2 . . . . . . . . . c30498_6e5j 1 . 10 . 4199 . 1 1 8 LYS HB3 H 0.701 -3.930 -3.710 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB3 . . . . . . . . . c30498_6e5j 1 . 10 . 4200 . 1 1 8 LYS HD2 H -1.510 -2.705 -6.506 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD2 . . . . . . . . . c30498_6e5j 1 . 10 . 4201 . 1 1 8 LYS HD3 H -0.349 -1.715 -5.623 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD3 . . . . . . . . . c30498_6e5j 1 . 10 . 4202 . 1 1 8 LYS HE2 H 1.289 -3.507 -5.731 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE2 . . . . . . . . . c30498_6e5j 1 . 10 . 4203 . 1 1 8 LYS HE3 H 0.124 -4.544 -6.555 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE3 . . . . . . . . . c30498_6e5j 1 . 10 . 4204 . 1 1 8 LYS HG2 H -1.454 -4.352 -4.665 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG2 . . . . . . . . . c30498_6e5j 1 . 10 . 4205 . 1 1 8 LYS HG3 H -2.037 -2.768 -4.155 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG3 . . . . . . . . . c30498_6e5j 1 . 10 . 4206 . 1 1 8 LYS HZ1 H 0.086 -2.968 -8.392 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ1 . . . . . . . . . c30498_6e5j 1 . 10 . 4207 . 1 1 8 LYS HZ2 H 1.652 -3.539 -8.118 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ2 . . . . . . . . . c30498_6e5j 1 . 10 . 4208 . 1 1 8 LYS HZ3 H 1.218 -1.990 -7.603 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ3 . . . . . . . . . c30498_6e5j 1 . 10 . 4209 . 1 1 8 LYS N N 0.415 -3.615 -1.013 . . . 1.0 . . . . . . . . . . . . A . 8 LYS N . . . . . . . . . c30498_6e5j 1 . 10 . 4210 . 1 1 8 LYS NZ N 0.882 -2.966 -7.722 . . . 1.0 . . . . . . . . . . . . A . 8 LYS NZ . . . . . . . . . c30498_6e5j 1 . 10 . 4211 . 1 1 8 LYS O O -2.343 -5.354 -1.880 . . . 1.0 . . . . . . . . . . . . A . 8 LYS O . . . . . . . . . c30498_6e5j 1 . 10 . 4212 . 1 1 9 B3K C C -1.178 -8.414 -0.011 . . . 1.0 . . . . . . . . . . . . A . 9 B3K C . . . . . . . . . c30498_6e5j 1 . 10 . 4213 . 1 1 9 B3K CA C -0.132 -8.189 -1.070 . . . 1.0 . . . . . . . . . . . . A . 9 B3K CA . . . . . . . . . c30498_6e5j 1 . 10 . 4214 . 1 1 9 B3K CB C -0.666 -7.472 -2.309 . . . 1.0 . . . . . . . . . . . . A . 9 B3K CB . . . . . . . . . c30498_6e5j 1 . 10 . 4215 . 1 1 9 B3K CD C -0.547 -7.648 -4.868 . . . 1.0 . . . . . . . . . . . . A . 9 B3K CD . . . . . . . . . c30498_6e5j 1 . 10 . 4216 . 1 1 9 B3K CE C 0.152 -8.346 -6.027 . . . 1.0 . . . . . . . . . . . . A . 9 B3K CE . . . . . . . . . c30498_6e5j 1 . 10 . 4217 . 1 1 9 B3K CF C -0.124 -9.844 -6.031 . . . 1.0 . . . . . . . . . . . . A . 9 B3K CF . . . . . . . . . c30498_6e5j 1 . 10 . 4218 . 1 1 9 B3K CG C -0.067 -8.187 -3.528 . . . 1.0 . . . . . . . . . . . . A . 9 B3K CG . . . . . . . . . c30498_6e5j 1 . 10 . 4219 . 1 1 9 B3K H H 0.678 -5.856 -2.457 . . . 1.0 . . . . . . . . . . . . A . 9 B3K H . . . . . . . . . c30498_6e5j 1 . 10 . 4220 . 1 1 9 B3K HA1 H 0.261 -9.148 -1.366 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HA1 . . . . . . . . . c30498_6e5j 1 . 10 . 4221 . 1 1 9 B3K HA2 H 0.662 -7.598 -0.638 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HA2 . . . . . . . . . c30498_6e5j 1 . 10 . 4222 . 1 1 9 B3K HB H -1.770 -7.486 -2.308 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HB . . . . . . . . . c30498_6e5j 1 . 10 . 4223 . 1 1 9 B3K HD2 H -0.338 -6.589 -4.917 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HD2 . . . . . . . . . c30498_6e5j 1 . 10 . 4224 . 1 1 9 B3K HD3 H -1.612 -7.811 -4.951 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HD3 . . . . . . . . . c30498_6e5j 1 . 10 . 4225 . 1 1 9 B3K HE2 H 1.215 -8.185 -5.942 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HE2 . . . . . . . . . c30498_6e5j 1 . 10 . 4226 . 1 1 9 B3K HE3 H -0.204 -7.924 -6.955 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HE3 . . . . . . . . . c30498_6e5j 1 . 10 . 4227 . 1 1 9 B3K HF1 H -1.176 -10.004 -6.219 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HF1 . . . . . . . . . c30498_6e5j 1 . 10 . 4228 . 1 1 9 B3K HF2 H 0.132 -10.247 -5.063 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HF2 . . . . . . . . . c30498_6e5j 1 . 10 . 4229 . 1 1 9 B3K HG2 H -0.324 -9.234 -3.473 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HG2 . . . . . . . . . c30498_6e5j 1 . 10 . 4230 . 1 1 9 B3K HG3 H 1.008 -8.090 -3.492 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HG3 . . . . . . . . . c30498_6e5j 1 . 10 . 4231 . 1 1 9 B3K HNZ1 H 0.463 -11.574 -7.036 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HNZ1 . . . . . . . . . c30498_6e5j 1 . 10 . 4232 . 1 1 9 B3K HNZ2 H 1.684 -10.410 -6.906 . . . 1.0 . . . . . . . . . . . . A . 9 B3K HNZ2 . . . . . . . . . c30498_6e5j 1 . 10 . 4233 . 1 1 9 B3K N N -0.267 -6.090 -2.298 . . . 1.0 . . . . . . . . . . . . A . 9 B3K N . . . . . . . . . c30498_6e5j 1 . 10 . 4234 . 1 1 9 B3K NZ N 0.666 -10.553 -7.070 . . . 1.0 . . . . . . . . . . . . A . 9 B3K NZ . . . . . . . . . c30498_6e5j 1 . 10 . 4235 . 1 1 9 B3K O O -2.061 -9.262 -0.149 . . . 1.0 . . . . . . . . . . . . A . 9 B3K O . . . . . . . . . c30498_6e5j 1 . 10 . 4236 . 1 1 10 ARG C C -3.290 -7.030 1.994 . . . 1.0 . . . . . . . . . . . . A . 10 ARG C . . . . . . . . . c30498_6e5j 1 . 10 . 4237 . 1 1 10 ARG CA C -1.968 -7.768 2.204 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CA . . . . . . . . . c30498_6e5j 1 . 10 . 4238 . 1 1 10 ARG CB C -1.286 -7.241 3.468 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CB . . . . . . . . . c30498_6e5j 1 . 10 . 4239 . 1 1 10 ARG CD C 0.637 -7.406 5.083 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CD . . . . . . . . . c30498_6e5j 1 . 10 . 4240 . 1 1 10 ARG CG C 0.004 -7.965 3.817 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CG . . . . . . . . . c30498_6e5j 1 . 10 . 4241 . 1 1 10 ARG CZ C 2.691 -7.739 6.420 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CZ . . . . . . . . . c30498_6e5j 1 . 10 . 4242 . 1 1 10 ARG H H -0.361 -6.955 1.085 . . . 1.0 . . . . . . . . . . . . A . 10 ARG H . . . . . . . . . c30498_6e5j 1 . 10 . 4243 . 1 1 10 ARG HA H -2.177 -8.817 2.333 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HA . . . . . . . . . c30498_6e5j 1 . 10 . 4244 . 1 1 10 ARG HB2 H -1.059 -6.193 3.330 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HB2 . . . . . . . . . c30498_6e5j 1 . 10 . 4245 . 1 1 10 ARG HB3 H -1.967 -7.344 4.297 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HB3 . . . . . . . . . c30498_6e5j 1 . 10 . 4246 . 1 1 10 ARG HD2 H 0.774 -6.341 4.962 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HD2 . . . . . . . . . c30498_6e5j 1 . 10 . 4247 . 1 1 10 ARG HD3 H -0.027 -7.591 5.914 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HD3 . . . . . . . . . c30498_6e5j 1 . 10 . 4248 . 1 1 10 ARG HE H 2.262 -8.691 4.712 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HE . . . . . . . . . c30498_6e5j 1 . 10 . 4249 . 1 1 10 ARG HG2 H -0.212 -9.012 3.968 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HG2 . . . . . . . . . c30498_6e5j 1 . 10 . 4250 . 1 1 10 ARG HG3 H 0.700 -7.853 2.999 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HG3 . . . . . . . . . c30498_6e5j 1 . 10 . 4251 . 1 1 10 ARG HH11 H 2.860 -6.643 8.116 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH11 . . . . . . . . . c30498_6e5j 1 . 10 . 4252 . 1 1 10 ARG HH12 H 1.398 -6.394 7.217 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH12 . . . . . . . . . c30498_6e5j 1 . 10 . 4253 . 1 1 10 ARG HH21 H 4.435 -8.141 7.373 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH21 . . . . . . . . . c30498_6e5j 1 . 10 . 4254 . 1 1 10 ARG HH22 H 4.164 -9.036 5.911 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH22 . . . . . . . . . c30498_6e5j 1 . 10 . 4255 . 1 1 10 ARG N N -1.076 -7.634 1.059 . . . 1.0 . . . . . . . . . . . . A . 10 ARG N . . . . . . . . . c30498_6e5j 1 . 10 . 4256 . 1 1 10 ARG NE N 1.933 -8.024 5.361 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NE . . . . . . . . . c30498_6e5j 1 . 10 . 4257 . 1 1 10 ARG NH1 N 2.283 -6.853 7.321 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NH1 . . . . . . . . . c30498_6e5j 1 . 10 . 4258 . 1 1 10 ARG NH2 N 3.857 -8.350 6.580 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NH2 . . . . . . . . . c30498_6e5j 1 . 10 . 4259 . 1 1 10 ARG O O -4.314 -7.412 2.559 . . . 1.0 . . . . . . . . . . . . A . 10 ARG O . . . . . . . . . c30498_6e5j 1 . 10 . 4260 . 1 1 11 TYR C C -5.112 -5.383 -0.353 . . . 1.0 . . . . . . . . . . . . A . 11 TYR C . . . . . . . . . c30498_6e5j 1 . 10 . 4261 . 1 1 11 TYR CA C -4.454 -5.141 1.005 . . . 1.0 . . . . . . . . . . . . A . 11 TYR CA . . . . . . . . . c30498_6e5j 1 . 10 . 4262 . 1 1 11 TYR CB C -4.079 -3.665 1.157 . . . 1.0 . . . . . . . . . . . . A . 11 TYR CB . . . . . . . . . c30498_6e5j 1 . 10 . 4263 . 1 1 11 TYR CD1 C -4.388 -3.541 3.661 . . . 1.0 . . . . . . . . . . . . A . 11 TYR CD1 . . . . . . . . . c30498_6e5j 1 . 10 . 4264 . 1 1 11 TYR CD2 C -2.354 -2.713 2.739 . . . 1.0 . . . . . . . . . . . . A . 11 TYR CD2 . . . . . . . . . c30498_6e5j 1 . 10 . 4265 . 1 1 11 TYR CE1 C -3.953 -3.208 4.927 . . . 1.0 . . . . . . . . . . . . A . 11 TYR CE1 . . . . . . . . . c30498_6e5j 1 . 10 . 4266 . 1 1 11 TYR CE2 C -1.912 -2.378 4.003 . . . 1.0 . . . . . . . . . . . . A . 11 TYR CE2 . . . . . . . . . c30498_6e5j 1 . 10 . 4267 . 1 1 11 TYR CG C -3.597 -3.301 2.544 . . . 1.0 . . . . . . . . . . . . A . 11 TYR CG . . . . . . . . . c30498_6e5j 1 . 10 . 4268 . 1 1 11 TYR CZ C -2.714 -2.627 5.093 . . . 1.0 . . . . . . . . . . . . A . 11 TYR CZ . . . . . . . . . c30498_6e5j 1 . 10 . 4269 . 1 1 11 TYR H H -2.448 -5.757 0.702 . . . 1.0 . . . . . . . . . . . . A . 11 TYR H . . . . . . . . . c30498_6e5j 1 . 10 . 4270 . 1 1 11 TYR HA H -5.157 -5.401 1.779 . . . 1.0 . . . . . . . . . . . . A . 11 TYR HA . . . . . . . . . c30498_6e5j 1 . 10 . 4271 . 1 1 11 TYR HB2 H -3.290 -3.429 0.460 . . . 1.0 . . . . . . . . . . . . A . 11 TYR HB2 . . . . . . . . . c30498_6e5j 1 . 10 . 4272 . 1 1 11 TYR HB3 H -4.941 -3.057 0.934 . . . 1.0 . . . . . . . . . . . . A . 11 TYR HB3 . . . . . . . . . c30498_6e5j 1 . 10 . 4273 . 1 1 11 TYR HD1 H -5.357 -3.998 3.528 . . . 1.0 . . . . . . . . . . . . A . 11 TYR HD1 . . . . . . . . . c30498_6e5j 1 . 10 . 4274 . 1 1 11 TYR HD2 H -1.724 -2.521 1.882 . . . 1.0 . . . . . . . . . . . . A . 11 TYR HD2 . . . . . . . . . c30498_6e5j 1 . 10 . 4275 . 1 1 11 TYR HE1 H -4.581 -3.402 5.782 . . . 1.0 . . . . . . . . . . . . A . 11 TYR HE1 . . . . . . . . . c30498_6e5j 1 . 10 . 4276 . 1 1 11 TYR HE2 H -0.944 -1.922 4.132 . . . 1.0 . . . . . . . . . . . . A . 11 TYR HE2 . . . . . . . . . c30498_6e5j 1 . 10 . 4277 . 1 1 11 TYR HH H -1.980 -1.379 6.360 . . . 1.0 . . . . . . . . . . . . A . 11 TYR HH . . . . . . . . . c30498_6e5j 1 . 10 . 4278 . 1 1 11 TYR N N -3.272 -5.979 1.188 . . . 1.0 . . . . . . . . . . . . A . 11 TYR N . . . . . . . . . c30498_6e5j 1 . 10 . 4279 . 1 1 11 TYR O O -5.719 -4.477 -0.927 . . . 1.0 . . . . . . . . . . . . A . 11 TYR O . . . . . . . . . c30498_6e5j 1 . 10 . 4280 . 1 1 11 TYR OH O -2.276 -2.299 6.356 . . . 1.0 . . . . . . . . . . . . A . 11 TYR OH . . . . . . . . . c30498_6e5j 1 . 10 . 4281 . 1 1 12 ABA C C -7.080 -6.642 -2.199 . . . 1.0 . . . . . . . . . . . . A . 12 AIB C . . . . . . . . . c30498_6e5j 1 . 10 . 4282 . 1 1 12 ABA CA C -5.595 -7.031 -2.125 . . . 1.0 . . . . . . . . . . . . A . 12 AIB CA . . . . . . . . . c30498_6e5j 1 . 10 . 4283 . 1 1 12 ABA H H -4.525 -7.287 -0.307 . . . 1.0 . . . . . . . . . . . . A . 12 AIB H . . . . . . . . . c30498_6e5j 1 . 10 . 4284 . 1 1 12 ABA N N -5.013 -6.621 -0.834 . . . 1.0 . . . . . . . . . . . . A . 12 AIB N . . . . . . . . . c30498_6e5j 1 . 10 . 4285 . 1 1 12 ABA O O -7.571 -6.219 -3.249 . . . 1.0 . . . . . . . . . . . . A . 12 AIB O . . . . . . . . . c30498_6e5j 1 . 10 . 4286 . 1 1 13 GLY C C -9.525 -5.099 -0.574 . . . 1.0 . . . . . . . . . . . . A . 13 GLY C . . . . . . . . . c30498_6e5j 1 . 10 . 4287 . 1 1 13 GLY CA C -9.205 -6.497 -1.065 . . . 1.0 . . . . . . . . . . . . A . 13 GLY CA . . . . . . . . . c30498_6e5j 1 . 10 . 4288 . 1 1 13 GLY H H -7.332 -7.070 -0.263 . . . 1.0 . . . . . . . . . . . . A . 13 GLY H . . . . . . . . . c30498_6e5j 1 . 10 . 4289 . 1 1 13 GLY HA2 H -9.593 -6.610 -2.066 . . . 1.0 . . . . . . . . . . . . A . 13 GLY HA2 . . . . . . . . . c30498_6e5j 1 . 10 . 4290 . 1 1 13 GLY HA3 H -9.691 -7.211 -0.421 . . . 1.0 . . . . . . . . . . . . A . 13 GLY HA3 . . . . . . . . . c30498_6e5j 1 . 10 . 4291 . 1 1 13 GLY N N -7.783 -6.778 -1.084 . . . 1.0 . . . . . . . . . . . . A . 13 GLY N . . . . . . . . . c30498_6e5j 1 . 10 . 4292 . 1 1 13 GLY O O -10.640 -4.832 -0.124 . . . 1.0 . . . . . . . . . . . . A . 13 GLY O . . . . . . . . . c30498_6e5j 1 . 10 . 4293 . 1 1 14 CYS C C -8.243 -1.888 -1.319 . . . 1.0 . . . . . . . . . . . . A . 14 CYS C . . . . . . . . . c30498_6e5j 1 . 10 . 4294 . 1 1 14 CYS CA C -8.744 -2.830 -0.234 . . . 1.0 . . . . . . . . . . . . A . 14 CYS CA . . . . . . . . . c30498_6e5j 1 . 10 . 4295 . 1 1 14 CYS CB C -7.982 -2.560 1.064 . . . 1.0 . . . . . . . . . . . . A . 14 CYS CB . . . . . . . . . c30498_6e5j 1 . 10 . 4296 . 1 1 14 CYS H H -7.671 -4.484 -0.990 . . . 1.0 . . . . . . . . . . . . A . 14 CYS H . . . . . . . . . c30498_6e5j 1 . 10 . 4297 . 1 1 14 CYS HA H -9.798 -2.666 -0.074 . . . 1.0 . . . . . . . . . . . . A . 14 CYS HA . . . . . . . . . c30498_6e5j 1 . 10 . 4298 . 1 1 14 CYS HB2 H -6.928 -2.698 0.882 . . . 1.0 . . . . . . . . . . . . A . 14 CYS HB2 . . . . . . . . . c30498_6e5j 1 . 10 . 4299 . 1 1 14 CYS HB3 H -8.155 -1.538 1.368 . . . 1.0 . . . . . . . . . . . . A . 14 CYS HB3 . . . . . . . . . c30498_6e5j 1 . 10 . 4300 . 1 1 14 CYS N N -8.552 -4.209 -0.648 . . . 1.0 . . . . . . . . . . . . A . 14 CYS N . . . . . . . . . c30498_6e5j 1 . 10 . 4301 . 1 1 14 CYS O O -7.514 -2.305 -2.219 . . . 1.0 . . . . . . . . . . . . A . 14 CYS O . . . . . . . . . c30498_6e5j 1 . 10 . 4302 . 1 1 14 CYS SG S -8.452 -3.642 2.455 . . . 1.0 . . . . . . . . . . . . A . 14 CYS SG . . . . . . . . . c30498_6e5j 1 . 10 . 4303 . 1 1 15 GLU C C -6.714 0.769 -1.600 . . . 1.0 . . . . . . . . . . . . A . 15 GLU C . . . . . . . . . c30498_6e5j 1 . 10 . 4304 . 1 1 15 GLU CA C -8.089 0.386 -2.125 . . . 1.0 . . . . . . . . . . . . A . 15 GLU CA . . . . . . . . . c30498_6e5j 1 . 10 . 4305 . 1 1 15 GLU CB C -8.989 1.623 -2.192 . . . 1.0 . . . . . . . . . . . . A . 15 GLU CB . . . . . . . . . c30498_6e5j 1 . 10 . 4306 . 1 1 15 GLU CD C -10.175 0.809 -4.266 . . . 1.0 . . . . . . . . . . . . A . 15 GLU CD . . . . . . . . . c30498_6e5j 1 . 10 . 4307 . 1 1 15 GLU CG C -10.324 1.370 -2.866 . . . 1.0 . . . . . . . . . . . . A . 15 GLU CG . . . . . . . . . c30498_6e5j 1 . 10 . 4308 . 1 1 15 GLU H H -9.346 -0.379 -0.599 . . . 1.0 . . . . . . . . . . . . A . 15 GLU H . . . . . . . . . c30498_6e5j 1 . 10 . 4309 . 1 1 15 GLU HA H -7.988 -0.038 -3.111 . . . 1.0 . . . . . . . . . . . . A . 15 GLU HA . . . . . . . . . c30498_6e5j 1 . 10 . 4310 . 1 1 15 GLU HB2 H -9.178 1.971 -1.187 . . . 1.0 . . . . . . . . . . . . A . 15 GLU HB2 . . . . . . . . . c30498_6e5j 1 . 10 . 4311 . 1 1 15 GLU HB3 H -8.473 2.397 -2.740 . . . 1.0 . . . . . . . . . . . . A . 15 GLU HB3 . . . . . . . . . c30498_6e5j 1 . 10 . 4312 . 1 1 15 GLU HG2 H -10.883 0.664 -2.272 . . . 1.0 . . . . . . . . . . . . A . 15 GLU HG2 . . . . . . . . . c30498_6e5j 1 . 10 . 4313 . 1 1 15 GLU HG3 H -10.866 2.301 -2.921 . . . 1.0 . . . . . . . . . . . . A . 15 GLU HG3 . . . . . . . . . c30498_6e5j 1 . 10 . 4314 . 1 1 15 GLU N N -8.654 -0.631 -1.253 . . . 1.0 . . . . . . . . . . . . A . 15 GLU N . . . . . . . . . c30498_6e5j 1 . 10 . 4315 . 1 1 15 GLU O O -6.583 1.171 -0.447 . . . 1.0 . . . . . . . . . . . . A . 15 GLU O . . . . . . . . . c30498_6e5j 1 . 10 . 4316 . 1 1 15 GLU OE1 O -9.521 1.466 -5.104 . . . 1.0 . . . . . . . . . . . . A . 15 GLU OE1 . . . . . . . . . c30498_6e5j 1 . 10 . 4317 . 1 1 15 GLU OE2 O -10.713 -0.285 -4.542 . . . 1.0 . . . . . . . . . . . . A . 15 GLU OE2 . . . . . . . . . c30498_6e5j 1 . 10 . 4318 . 1 1 16 MVA C C -3.382 1.572 -2.916 . . . 1.0 . . . . . . . . . . . . A . 16 MVA C . . . . . . . . . c30498_6e5j 1 . 10 . 4319 . 1 1 16 MVA CA C -4.300 0.873 -1.908 . . . 1.0 . . . . . . . . . . . . A . 16 MVA CA . . . . . . . . . c30498_6e5j 1 . 10 . 4320 . 1 1 16 MVA CB C -3.655 -0.460 -1.423 . . . 1.0 . . . . . . . . . . . . A . 16 MVA CB . . . . . . . . . c30498_6e5j 1 . 10 . 4321 . 1 1 16 MVA CG1 C -3.635 -1.518 -2.516 . . . 1.0 . . . . . . . . . . . . A . 16 MVA CG1 . . . . . . . . . c30498_6e5j 1 . 10 . 4322 . 1 1 16 MVA CG2 C -2.249 -0.213 -0.892 . . . 1.0 . . . . . . . . . . . . A . 16 MVA CG2 . . . . . . . . . c30498_6e5j 1 . 10 . 4323 . 1 1 16 MVA CN C -5.896 0.357 -3.854 . . . 1.0 . . . . . . . . . . . . A . 16 MVA CN . . . . . . . . . c30498_6e5j 1 . 10 . 4324 . 1 1 16 MVA HA H -4.357 1.519 -1.040 . . . 1.0 . . . . . . . . . . . . A . 16 MVA HA . . . . . . . . . c30498_6e5j 1 . 10 . 4325 . 1 1 16 MVA HB H -4.254 -0.841 -0.609 . . . 1.0 . . . . . . . . . . . . A . 16 MVA HB . . . . . . . . . c30498_6e5j 1 . 10 . 4326 . 1 1 16 MVA HG11 H -3.031 -1.170 -3.341 . . . 1.0 . . . . . . . . . . . . A . 16 MVA HG11 . . . . . . . . . c30498_6e5j 1 . 10 . 4327 . 1 1 16 MVA HG12 H -4.642 -1.700 -2.859 . . . 1.0 . . . . . . . . . . . . A . 16 MVA HG12 . . . . . . . . . c30498_6e5j 1 . 10 . 4328 . 1 1 16 MVA HG13 H -3.218 -2.432 -2.124 . . . 1.0 . . . . . . . . . . . . A . 16 MVA HG13 . . . . . . . . . c30498_6e5j 1 . 10 . 4329 . 1 1 16 MVA HG21 H -2.291 0.492 -0.073 . . . 1.0 . . . . . . . . . . . . A . 16 MVA HG21 . . . . . . . . . c30498_6e5j 1 . 10 . 4330 . 1 1 16 MVA HG22 H -1.631 0.192 -1.682 . . . 1.0 . . . . . . . . . . . . A . 16 MVA HG22 . . . . . . . . . c30498_6e5j 1 . 10 . 4331 . 1 1 16 MVA HG23 H -1.824 -1.144 -0.546 . . . 1.0 . . . . . . . . . . . . A . 16 MVA HG23 . . . . . . . . . c30498_6e5j 1 . 10 . 4332 . 1 1 16 MVA HN1 H -4.978 0.497 -4.403 . . . 1.0 . . . . . . . . . . . . A . 16 MVA HN1 . . . . . . . . . c30498_6e5j 1 . 10 . 4333 . 1 1 16 MVA HN2 H -6.654 1.021 -4.245 . . . 1.0 . . . . . . . . . . . . A . 16 MVA HN2 . . . . . . . . . c30498_6e5j 1 . 10 . 4334 . 1 1 16 MVA HN3 H -6.224 -0.667 -3.960 . . . 1.0 . . . . . . . . . . . . A . 16 MVA HN3 . . . . . . . . . c30498_6e5j 1 . 10 . 4335 . 1 1 16 MVA N N -5.666 0.658 -2.421 . . . 1.0 . . . . . . . . . . . . A . 16 MVA N . . . . . . . . . c30498_6e5j 1 . 10 . 4336 . 1 1 16 MVA O O -3.091 1.066 -4.005 . . . 1.0 . . . . . . . . . . . . A . 16 MVA O . . . . . . . . . c30498_6e5j 1 . 10 . 4337 . 1 1 17 ARG C C -0.702 3.703 -2.748 . . . 1.0 . . . . . . . . . . . . A . 17 ARG C . . . . . . . . . c30498_6e5j 1 . 10 . 4338 . 1 1 17 ARG CA C -2.071 3.555 -3.389 . . . 1.0 . . . . . . . . . . . . A . 17 ARG CA . . . . . . . . . c30498_6e5j 1 . 10 . 4339 . 1 1 17 ARG CB C -2.676 4.943 -3.621 . . . 1.0 . . . . . . . . . . . . A . 17 ARG CB . . . . . . . . . c30498_6e5j 1 . 10 . 4340 . 1 1 17 ARG CD C -4.388 4.151 -5.293 . . . 1.0 . . . . . . . . . . . . A . 17 ARG CD . . . . . . . . . c30498_6e5j 1 . 10 . 4341 . 1 1 17 ARG CG C -4.146 4.928 -4.009 . . . 1.0 . . . . . . . . . . . . A . 17 ARG CG . . . . . . . . . c30498_6e5j 1 . 10 . 4342 . 1 1 17 ARG CZ C -4.037 4.558 -7.696 . . . 1.0 . . . . . . . . . . . . A . 17 ARG CZ . . . . . . . . . c30498_6e5j 1 . 10 . 4343 . 1 1 17 ARG H H -3.143 3.080 -1.631 . . . 1.0 . . . . . . . . . . . . A . 17 ARG H . . . . . . . . . c30498_6e5j 1 . 10 . 4344 . 1 1 17 ARG HA H -1.968 3.047 -4.335 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HA . . . . . . . . . c30498_6e5j 1 . 10 . 4345 . 1 1 17 ARG HB2 H -2.573 5.521 -2.719 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HB2 . . . . . . . . . c30498_6e5j 1 . 10 . 4346 . 1 1 17 ARG HB3 H -2.125 5.429 -4.411 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HB3 . . . . . . . . . c30498_6e5j 1 . 10 . 4347 . 1 1 17 ARG HD2 H -4.069 3.131 -5.145 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HD2 . . . . . . . . . c30498_6e5j 1 . 10 . 4348 . 1 1 17 ARG HD3 H -5.445 4.167 -5.511 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HD3 . . . . . . . . . c30498_6e5j 1 . 10 . 4349 . 1 1 17 ARG HE H -2.843 5.228 -6.238 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HE . . . . . . . . . c30498_6e5j 1 . 10 . 4350 . 1 1 17 ARG HG2 H -4.710 4.468 -3.212 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HG2 . . . . . . . . . c30498_6e5j 1 . 10 . 4351 . 1 1 17 ARG HG3 H -4.481 5.946 -4.144 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HG3 . . . . . . . . . c30498_6e5j 1 . 10 . 4352 . 1 1 17 ARG HH11 H -5.709 3.491 -7.263 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HH11 . . . . . . . . . c30498_6e5j 1 . 10 . 4353 . 1 1 17 ARG HH12 H -5.428 3.777 -8.950 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HH12 . . . . . . . . . c30498_6e5j 1 . 10 . 4354 . 1 1 17 ARG HH21 H -3.579 4.973 -9.624 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HH21 . . . . . . . . . c30498_6e5j 1 . 10 . 4355 . 1 1 17 ARG HH22 H -2.467 5.592 -8.444 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HH22 . . . . . . . . . c30498_6e5j 1 . 10 . 4356 . 1 1 17 ARG N N -2.925 2.752 -2.534 . . . 1.0 . . . . . . . . . . . . A . 17 ARG N . . . . . . . . . c30498_6e5j 1 . 10 . 4357 . 1 1 17 ARG NE N -3.662 4.712 -6.430 . . . 1.0 . . . . . . . . . . . . A . 17 ARG NE . . . . . . . . . c30498_6e5j 1 . 10 . 4358 . 1 1 17 ARG NH1 N -5.146 3.886 -7.993 . . . 1.0 . . . . . . . . . . . . A . 17 ARG NH1 . . . . . . . . . c30498_6e5j 1 . 10 . 4359 . 1 1 17 ARG NH2 N -3.304 5.081 -8.665 . . . 1.0 . . . . . . . . . . . . A . 17 ARG NH2 . . . . . . . . . c30498_6e5j 1 . 10 . 4360 . 1 1 17 ARG O O -0.529 4.479 -1.804 . . . 1.0 . . . . . . . . . . . . A . 17 ARG O . . . . . . . . . c30498_6e5j 1 . 10 . 4361 . 1 1 18 CYS C C 2.476 3.882 -3.628 . . . 1.0 . . . . . . . . . . . . A . 18 CYS C . . . . . . . . . c30498_6e5j 1 . 10 . 4362 . 1 1 18 CYS CA C 1.611 3.025 -2.723 . . . 1.0 . . . . . . . . . . . . A . 18 CYS CA . . . . . . . . . c30498_6e5j 1 . 10 . 4363 . 1 1 18 CYS CB C 2.228 1.636 -2.592 . . . 1.0 . . . . . . . . . . . . A . 18 CYS CB . . . . . . . . . c30498_6e5j 1 . 10 . 4364 . 1 1 18 CYS H H 0.057 2.320 -3.967 . . . 1.0 . . . . . . . . . . . . A . 18 CYS H . . . . . . . . . c30498_6e5j 1 . 10 . 4365 . 1 1 18 CYS HA H 1.567 3.482 -1.745 . . . 1.0 . . . . . . . . . . . . A . 18 CYS HA . . . . . . . . . c30498_6e5j 1 . 10 . 4366 . 1 1 18 CYS HB2 H 1.565 1.008 -2.017 . . . 1.0 . . . . . . . . . . . . A . 18 CYS HB2 . . . . . . . . . c30498_6e5j 1 . 10 . 4367 . 1 1 18 CYS HB3 H 2.356 1.215 -3.578 . . . 1.0 . . . . . . . . . . . . A . 18 CYS HB3 . . . . . . . . . c30498_6e5j 1 . 10 . 4368 . 1 1 18 CYS N N 0.259 2.946 -3.238 . . . 1.0 . . . . . . . . . . . . A . 18 CYS N . . . . . . . . . c30498_6e5j 1 . 10 . 4369 . 1 1 18 CYS O O 2.617 3.602 -4.824 . . . 1.0 . . . . . . . . . . . . A . 18 CYS O . . . . . . . . . c30498_6e5j 1 . 10 . 4370 . 1 1 18 CYS SG S 3.856 1.633 -1.772 . . . 1.0 . . . . . . . . . . . . A . 18 CYS SG . . . . . . . . . c30498_6e5j 1 . 10 . 4371 . 1 1 19 ASP C C 5.172 6.067 -2.911 . . . 1.0 . . . . . . . . . . . . A . 19 ASP C . . . . . . . . . c30498_6e5j 1 . 10 . 4372 . 1 1 19 ASP CA C 3.953 5.796 -3.779 . . . 1.0 . . . . . . . . . . . . A . 19 ASP CA . . . . . . . . . c30498_6e5j 1 . 10 . 4373 . 1 1 19 ASP CB C 3.277 7.110 -4.168 . . . 1.0 . . . . . . . . . . . . A . 19 ASP CB . . . . . . . . . c30498_6e5j 1 . 10 . 4374 . 1 1 19 ASP CG C 4.082 7.890 -5.189 . . . 1.0 . . . . . . . . . . . . A . 19 ASP CG . . . . . . . . . c30498_6e5j 1 . 10 . 4375 . 1 1 19 ASP H H 2.844 5.124 -2.114 . . . 1.0 . . . . . . . . . . . . A . 19 ASP H . . . . . . . . . c30498_6e5j 1 . 10 . 4376 . 1 1 19 ASP HA H 4.265 5.278 -4.673 . . . 1.0 . . . . . . . . . . . . A . 19 ASP HA . . . . . . . . . c30498_6e5j 1 . 10 . 4377 . 1 1 19 ASP HB2 H 2.305 6.897 -4.588 . . . 1.0 . . . . . . . . . . . . A . 19 ASP HB2 . . . . . . . . . c30498_6e5j 1 . 10 . 4378 . 1 1 19 ASP HB3 H 3.159 7.721 -3.286 . . . 1.0 . . . . . . . . . . . . A . 19 ASP HB3 . . . . . . . . . c30498_6e5j 1 . 10 . 4379 . 1 1 19 ASP N N 3.039 4.931 -3.059 . . . 1.0 . . . . . . . . . . . . A . 19 ASP N . . . . . . . . . c30498_6e5j 1 . 10 . 4380 . 1 1 19 ASP O O 5.149 6.951 -2.049 . . . 1.0 . . . . . . . . . . . . A . 19 ASP O . . . . . . . . . c30498_6e5j 1 . 10 . 4381 . 1 1 19 ASP OD1 O 4.890 8.756 -4.793 . . . 1.0 . . . . . . . . . . . . A . 19 ASP OD1 . . . . . . . . . c30498_6e5j 1 . 10 . 4382 . 1 1 19 ASP OD2 O 3.904 7.644 -6.405 . . . 1.0 . . . . . . . . . . . . A . 19 ASP OD2 . . . . . . . . . c30498_6e5j 1 . 10 . 4383 . 1 1 20 DPR C C 7.161 5.148 -0.813 . . . 1.0 . . . . . . . . . . . . A . 20 DPR C . . . . . . . . . c30498_6e5j 1 . 10 . 4384 . 1 1 20 DPR CA C 7.455 5.374 -2.296 . . . 1.0 . . . . . . . . . . . . A . 20 DPR CA . . . . . . . . . c30498_6e5j 1 . 10 . 4385 . 1 1 20 DPR CB C 8.346 4.260 -2.844 . . . 1.0 . . . . . . . . . . . . A . 20 DPR CB . . . . . . . . . c30498_6e5j 1 . 10 . 4386 . 1 1 20 DPR CD C 6.364 4.274 -4.171 . . . 1.0 . . . . . . . . . . . . A . 20 DPR CD . . . . . . . . . c30498_6e5j 1 . 10 . 4387 . 1 1 20 DPR CG C 7.838 3.998 -4.217 . . . 1.0 . . . . . . . . . . . . A . 20 DPR CG . . . . . . . . . c30498_6e5j 1 . 10 . 4388 . 1 1 20 DPR HA H 7.952 6.319 -2.423 . . . 1.0 . . . . . . . . . . . . A . 20 DPR HA . . . . . . . . . c30498_6e5j 1 . 10 . 4389 . 1 1 20 DPR HB2 H 8.256 3.386 -2.219 . . . 1.0 . . . . . . . . . . . . A . 20 DPR HB2 . . . . . . . . . c30498_6e5j 1 . 10 . 4390 . 1 1 20 DPR HB3 H 9.372 4.594 -2.860 . . . 1.0 . . . . . . . . . . . . A . 20 DPR HB3 . . . . . . . . . c30498_6e5j 1 . 10 . 4391 . 1 1 20 DPR HD2 H 5.819 3.379 -3.910 . . . 1.0 . . . . . . . . . . . . A . 20 DPR HD2 . . . . . . . . . c30498_6e5j 1 . 10 . 4392 . 1 1 20 DPR HD3 H 6.028 4.662 -5.120 . . . 1.0 . . . . . . . . . . . . A . 20 DPR HD3 . . . . . . . . . c30498_6e5j 1 . 10 . 4393 . 1 1 20 DPR HG2 H 8.020 2.969 -4.487 . . . 1.0 . . . . . . . . . . . . A . 20 DPR HG2 . . . . . . . . . c30498_6e5j 1 . 10 . 4394 . 1 1 20 DPR HG3 H 8.322 4.661 -4.919 . . . 1.0 . . . . . . . . . . . . A . 20 DPR HG3 . . . . . . . . . c30498_6e5j 1 . 10 . 4395 . 1 1 20 DPR N N 6.243 5.291 -3.114 . . . 1.0 . . . . . . . . . . . . A . 20 DPR N . . . . . . . . . c30498_6e5j 1 . 10 . 4396 . 1 1 20 DPR O O 6.696 4.077 -0.415 . . . 1.0 . . . . . . . . . . . . A . 20 DPR O . . . . . . . . . c30498_6e5j 1 . 10 . 4397 . 1 1 21 PRO C C 5.710 6.271 1.826 . . . 1.0 . . . . . . . . . . . . A . 21 PRO C . . . . . . . . . c30498_6e5j 1 . 10 . 4398 . 1 1 21 PRO CA C 7.185 6.094 1.463 . . . 1.0 . . . . . . . . . . . . A . 21 PRO CA . . . . . . . . . c30498_6e5j 1 . 10 . 4399 . 1 1 21 PRO CB C 8.004 7.262 2.010 . . . 1.0 . . . . . . . . . . . . A . 21 PRO CB . . . . . . . . . c30498_6e5j 1 . 10 . 4400 . 1 1 21 PRO CD C 8.064 7.432 -0.373 . . . 1.0 . . . . . . . . . . . . A . 21 PRO CD . . . . . . . . . c30498_6e5j 1 . 10 . 4401 . 1 1 21 PRO CG C 8.048 8.244 0.893 . . . 1.0 . . . . . . . . . . . . A . 21 PRO CG . . . . . . . . . c30498_6e5j 1 . 10 . 4402 . 1 1 21 PRO HA H 7.549 5.172 1.884 . . . 1.0 . . . . . . . . . . . . A . 21 PRO HA . . . . . . . . . c30498_6e5j 1 . 10 . 4403 . 1 1 21 PRO HB2 H 7.513 7.672 2.879 . . . 1.0 . . . . . . . . . . . . A . 21 PRO HB2 . . . . . . . . . c30498_6e5j 1 . 10 . 4404 . 1 1 21 PRO HB3 H 8.993 6.921 2.274 . . . 1.0 . . . . . . . . . . . . A . 21 PRO HB3 . . . . . . . . . c30498_6e5j 1 . 10 . 4405 . 1 1 21 PRO HD2 H 7.490 7.918 -1.143 . . . 1.0 . . . . . . . . . . . . A . 21 PRO HD2 . . . . . . . . . c30498_6e5j 1 . 10 . 4406 . 1 1 21 PRO HD3 H 9.079 7.272 -0.703 . . . 1.0 . . . . . . . . . . . . A . 21 PRO HD3 . . . . . . . . . c30498_6e5j 1 . 10 . 4407 . 1 1 21 PRO HG2 H 7.171 8.873 0.921 . . . 1.0 . . . . . . . . . . . . A . 21 PRO HG2 . . . . . . . . . c30498_6e5j 1 . 10 . 4408 . 1 1 21 PRO HG3 H 8.943 8.842 0.965 . . . 1.0 . . . . . . . . . . . . A . 21 PRO HG3 . . . . . . . . . c30498_6e5j 1 . 10 . 4409 . 1 1 21 PRO N N 7.439 6.159 0.022 . . . 1.0 . . . . . . . . . . . . A . 21 PRO N . . . . . . . . . c30498_6e5j 1 . 10 . 4410 . 1 1 21 PRO O O 5.320 6.058 2.975 . . . 1.0 . . . . . . . . . . . . A . 21 PRO O . . . . . . . . . c30498_6e5j 1 . 10 . 4411 . 1 1 22 ARG C C 2.661 5.645 0.845 . . . 1.0 . . . . . . . . . . . . A . 22 ARG C . . . . . . . . . c30498_6e5j 1 . 10 . 4412 . 1 1 22 ARG CA C 3.477 6.896 1.118 . . . 1.0 . . . . . . . . . . . . A . 22 ARG CA . . . . . . . . . c30498_6e5j 1 . 10 . 4413 . 1 1 22 ARG CB C 2.949 8.061 0.281 . . . 1.0 . . . . . . . . . . . . A . 22 ARG CB . . . . . . . . . c30498_6e5j 1 . 10 . 4414 . 1 1 22 ARG CD C 3.036 9.758 2.145 . . . 1.0 . . . . . . . . . . . . A . 22 ARG CD . . . . . . . . . c30498_6e5j 1 . 10 . 4415 . 1 1 22 ARG CG C 3.471 9.420 0.724 . . . 1.0 . . . . . . . . . . . . A . 22 ARG CG . . . . . . . . . c30498_6e5j 1 . 10 . 4416 . 1 1 22 ARG CZ C 0.944 9.724 3.461 . . . 1.0 . . . . . . . . . . . . A . 22 ARG CZ . . . . . . . . . c30498_6e5j 1 . 10 . 4417 . 1 1 22 ARG H H 5.239 6.777 -0.059 . . . 1.0 . . . . . . . . . . . . A . 22 ARG H . . . . . . . . . c30498_6e5j 1 . 10 . 4418 . 1 1 22 ARG HA H 3.378 7.144 2.163 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HA . . . . . . . . . c30498_6e5j 1 . 10 . 4419 . 1 1 22 ARG HB2 H 3.237 7.908 -0.748 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HB2 . . . . . . . . . c30498_6e5j 1 . 10 . 4420 . 1 1 22 ARG HB3 H 1.872 8.073 0.345 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HB3 . . . . . . . . . c30498_6e5j 1 . 10 . 4421 . 1 1 22 ARG HD2 H 3.438 9.016 2.818 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HD2 . . . . . . . . . c30498_6e5j 1 . 10 . 4422 . 1 1 22 ARG HD3 H 3.432 10.728 2.407 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HD3 . . . . . . . . . c30498_6e5j 1 . 10 . 4423 . 1 1 22 ARG HE H 1.043 9.852 1.464 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HE . . . . . . . . . c30498_6e5j 1 . 10 . 4424 . 1 1 22 ARG HG2 H 4.549 9.409 0.683 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HG2 . . . . . . . . . c30498_6e5j 1 . 10 . 4425 . 1 1 22 ARG HG3 H 3.091 10.175 0.052 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HG3 . . . . . . . . . c30498_6e5j 1 . 10 . 4426 . 1 1 22 ARG HH11 H 1.158 9.618 5.474 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HH11 . . . . . . . . . c30498_6e5j 1 . 10 . 4427 . 1 1 22 ARG HH12 H 2.639 9.676 4.575 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HH12 . . . . . . . . . c30498_6e5j 1 . 10 . 4428 . 1 1 22 ARG HH21 H -0.865 9.684 4.381 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HH21 . . . . . . . . . c30498_6e5j 1 . 10 . 4429 . 1 1 22 ARG HH22 H -0.913 9.789 2.651 . . . 1.0 . . . . . . . . . . . . A . 22 ARG HH22 . . . . . . . . . c30498_6e5j 1 . 10 . 4430 . 1 1 22 ARG N N 4.890 6.662 0.856 . . . 1.0 . . . . . . . . . . . . A . 22 ARG N . . . . . . . . . c30498_6e5j 1 . 10 . 4431 . 1 1 22 ARG NE N 1.578 9.787 2.288 . . . 1.0 . . . . . . . . . . . . A . 22 ARG NE . . . . . . . . . c30498_6e5j 1 . 10 . 4432 . 1 1 22 ARG NH1 N 1.635 9.666 4.593 . . . 1.0 . . . . . . . . . . . . A . 22 ARG NH1 . . . . . . . . . c30498_6e5j 1 . 10 . 4433 . 1 1 22 ARG NH2 N -0.383 9.732 3.500 . . . 1.0 . . . . . . . . . . . . A . 22 ARG NH2 . . . . . . . . . c30498_6e5j 1 . 10 . 4434 . 1 1 22 ARG O O 2.661 5.115 -0.265 . . . 1.0 . . . . . . . . . . . . A . 22 ARG O . . . . . . . . . c30498_6e5j 1 . 10 . 4435 . 1 1 23 TYR C C -0.286 4.270 2.078 . . . 1.0 . . . . . . . . . . . . A . 23 TYR C . . . . . . . . . c30498_6e5j 1 . 10 . 4436 . 1 1 23 TYR CA C 1.172 3.970 1.770 . . . 1.0 . . . . . . . . . . . . A . 23 TYR CA . . . . . . . . . c30498_6e5j 1 . 10 . 4437 . 1 1 23 TYR CB C 1.697 2.918 2.744 . . . 1.0 . . . . . . . . . . . . A . 23 TYR CB . . . . . . . . . c30498_6e5j 1 . 10 . 4438 . 1 1 23 TYR CD1 C 4.081 3.021 3.557 . . . 1.0 . . . . . . . . . . . . A . 23 TYR CD1 . . . . . . . . . c30498_6e5j 1 . 10 . 4439 . 1 1 23 TYR CD2 C 3.652 1.947 1.476 . . . 1.0 . . . . . . . . . . . . A . 23 TYR CD2 . . . . . . . . . c30498_6e5j 1 . 10 . 4440 . 1 1 23 TYR CE1 C 5.429 2.763 3.418 . . . 1.0 . . . . . . . . . . . . A . 23 TYR CE1 . . . . . . . . . c30498_6e5j 1 . 10 . 4441 . 1 1 23 TYR CE2 C 4.999 1.681 1.330 . . . 1.0 . . . . . . . . . . . . A . 23 TYR CE2 . . . . . . . . . c30498_6e5j 1 . 10 . 4442 . 1 1 23 TYR CG C 3.171 2.620 2.591 . . . 1.0 . . . . . . . . . . . . A . 23 TYR CG . . . . . . . . . c30498_6e5j 1 . 10 . 4443 . 1 1 23 TYR CZ C 5.878 2.055 2.315 . . . 1.0 . . . . . . . . . . . . A . 23 TYR CZ . . . . . . . . . c30498_6e5j 1 . 10 . 4444 . 1 1 23 TYR H H 1.972 5.678 2.714 . . . 1.0 . . . . . . . . . . . . A . 23 TYR H . . . . . . . . . c30498_6e5j 1 . 10 . 4445 . 1 1 23 TYR HA H 1.252 3.594 0.760 . . . 1.0 . . . . . . . . . . . . A . 23 TYR HA . . . . . . . . . c30498_6e5j 1 . 10 . 4446 . 1 1 23 TYR HB2 H 1.534 3.261 3.753 . . . 1.0 . . . . . . . . . . . . A . 23 TYR HB2 . . . . . . . . . c30498_6e5j 1 . 10 . 4447 . 1 1 23 TYR HB3 H 1.153 1.997 2.590 . . . 1.0 . . . . . . . . . . . . A . 23 TYR HB3 . . . . . . . . . c30498_6e5j 1 . 10 . 4448 . 1 1 23 TYR HD1 H 3.722 3.543 4.430 . . . 1.0 . . . . . . . . . . . . A . 23 TYR HD1 . . . . . . . . . c30498_6e5j 1 . 10 . 4449 . 1 1 23 TYR HD2 H 2.955 1.626 0.717 . . . 1.0 . . . . . . . . . . . . A . 23 TYR HD2 . . . . . . . . . c30498_6e5j 1 . 10 . 4450 . 1 1 23 TYR HE1 H 6.120 3.085 4.183 . . . 1.0 . . . . . . . . . . . . A . 23 TYR HE1 . . . . . . . . . c30498_6e5j 1 . 10 . 4451 . 1 1 23 TYR HE2 H 5.352 1.155 0.456 . . . 1.0 . . . . . . . . . . . . A . 23 TYR HE2 . . . . . . . . . c30498_6e5j 1 . 10 . 4452 . 1 1 23 TYR HH H 7.584 1.527 3.006 . . . 1.0 . . . . . . . . . . . . A . 23 TYR HH . . . . . . . . . c30498_6e5j 1 . 10 . 4453 . 1 1 23 TYR N N 1.963 5.182 1.867 . . . 1.0 . . . . . . . . . . . . A . 23 TYR N . . . . . . . . . c30498_6e5j 1 . 10 . 4454 . 1 1 23 TYR O O -0.698 4.280 3.238 . . . 1.0 . . . . . . . . . . . . A . 23 TYR O . . . . . . . . . c30498_6e5j 1 . 10 . 4455 . 1 1 23 TYR OH O 7.230 1.832 2.162 . . . 1.0 . . . . . . . . . . . . A . 23 TYR OH . . . . . . . . . c30498_6e5j 1 . 10 . 4456 . 1 1 24 GLU C C -3.333 3.609 1.140 . . . 1.0 . . . . . . . . . . . . A . 24 GLU C . . . . . . . . . c30498_6e5j 1 . 10 . 4457 . 1 1 24 GLU CA C -2.466 4.861 1.209 . . . 1.0 . . . . . . . . . . . . A . 24 GLU CA . . . . . . . . . c30498_6e5j 1 . 10 . 4458 . 1 1 24 GLU CB C -2.897 5.850 0.133 . . . 1.0 . . . . . . . . . . . . A . 24 GLU CB . . . . . . . . . c30498_6e5j 1 . 10 . 4459 . 1 1 24 GLU CD C -2.642 8.145 -0.864 . . . 1.0 . . . . . . . . . . . . A . 24 GLU CD . . . . . . . . . c30498_6e5j 1 . 10 . 4460 . 1 1 24 GLU CG C -2.181 7.186 0.209 . . . 1.0 . . . . . . . . . . . . A . 24 GLU CG . . . . . . . . . c30498_6e5j 1 . 10 . 4461 . 1 1 24 GLU H H -0.689 4.456 0.134 . . . 1.0 . . . . . . . . . . . . A . 24 GLU H . . . . . . . . . c30498_6e5j 1 . 10 . 4462 . 1 1 24 GLU HA H -2.582 5.319 2.178 . . . 1.0 . . . . . . . . . . . . A . 24 GLU HA . . . . . . . . . c30498_6e5j 1 . 10 . 4463 . 1 1 24 GLU HB2 H -2.699 5.415 -0.832 . . . 1.0 . . . . . . . . . . . . A . 24 GLU HB2 . . . . . . . . . c30498_6e5j 1 . 10 . 4464 . 1 1 24 GLU HB3 H -3.957 6.026 0.226 . . . 1.0 . . . . . . . . . . . . A . 24 GLU HB3 . . . . . . . . . c30498_6e5j 1 . 10 . 4465 . 1 1 24 GLU HG2 H -2.373 7.631 1.175 . . . 1.0 . . . . . . . . . . . . A . 24 GLU HG2 . . . . . . . . . c30498_6e5j 1 . 10 . 4466 . 1 1 24 GLU HG3 H -1.121 7.020 0.091 . . . 1.0 . . . . . . . . . . . . A . 24 GLU HG3 . . . . . . . . . c30498_6e5j 1 . 10 . 4467 . 1 1 24 GLU N N -1.063 4.518 1.041 . . . 1.0 . . . . . . . . . . . . A . 24 GLU N . . . . . . . . . c30498_6e5j 1 . 10 . 4468 . 1 1 24 GLU O O -3.147 2.782 0.252 . . . 1.0 . . . . . . . . . . . . A . 24 GLU O . . . . . . . . . c30498_6e5j 1 . 10 . 4469 . 1 1 24 GLU OE1 O -3.775 8.657 -0.759 . . . 1.0 . . . . . . . . . . . . A . 24 GLU OE1 . . . . . . . . . c30498_6e5j 1 . 10 . 4470 . 1 1 24 GLU OE2 O -1.874 8.396 -1.815 . . . 1.0 . . . . . . . . . . . . A . 24 GLU OE2 . . . . . . . . . c30498_6e5j 1 . 10 . 4471 . 1 1 25 MVA C C -6.530 2.449 2.699 . . . 1.0 . . . . . . . . . . . . A . 25 MVA C . . . . . . . . . c30498_6e5j 1 . 10 . 4472 . 1 1 25 MVA CA C -5.145 2.241 2.062 . . . 1.0 . . . . . . . . . . . . A . 25 MVA CA . . . . . . . . . c30498_6e5j 1 . 10 . 4473 . 1 1 25 MVA CB C -4.428 1.047 2.749 . . . 1.0 . . . . . . . . . . . . A . 25 MVA CB . . . . . . . . . c30498_6e5j 1 . 10 . 4474 . 1 1 25 MVA CG1 C -4.012 1.372 4.177 . . . 1.0 . . . . . . . . . . . . A . 25 MVA CG1 . . . . . . . . . c30498_6e5j 1 . 10 . 4475 . 1 1 25 MVA CG2 C -5.310 -0.191 2.720 . . . 1.0 . . . . . . . . . . . . A . 25 MVA CG2 . . . . . . . . . c30498_6e5j 1 . 10 . 4476 . 1 1 25 MVA CN C -4.513 4.515 3.072 . . . 1.0 . . . . . . . . . . . . A . 25 MVA CN . . . . . . . . . c30498_6e5j 1 . 10 . 4477 . 1 1 25 MVA HA H -5.319 1.944 1.036 . . . 1.0 . . . . . . . . . . . . A . 25 MVA HA . . . . . . . . . c30498_6e5j 1 . 10 . 4478 . 1 1 25 MVA HB H -3.532 0.828 2.186 . . . 1.0 . . . . . . . . . . . . A . 25 MVA HB . . . . . . . . . c30498_6e5j 1 . 10 . 4479 . 1 1 25 MVA HG11 H -4.885 1.640 4.753 . . . 1.0 . . . . . . . . . . . . A . 25 MVA HG11 . . . . . . . . . c30498_6e5j 1 . 10 . 4480 . 1 1 25 MVA HG12 H -3.316 2.199 4.168 . . . 1.0 . . . . . . . . . . . . A . 25 MVA HG12 . . . . . . . . . c30498_6e5j 1 . 10 . 4481 . 1 1 25 MVA HG13 H -3.539 0.507 4.618 . . . 1.0 . . . . . . . . . . . . A . 25 MVA HG13 . . . . . . . . . c30498_6e5j 1 . 10 . 4482 . 1 1 25 MVA HG21 H -5.537 -0.448 1.697 . . . 1.0 . . . . . . . . . . . . A . 25 MVA HG21 . . . . . . . . . c30498_6e5j 1 . 10 . 4483 . 1 1 25 MVA HG22 H -6.227 0.009 3.253 . . . 1.0 . . . . . . . . . . . . A . 25 MVA HG22 . . . . . . . . . c30498_6e5j 1 . 10 . 4484 . 1 1 25 MVA HG23 H -4.792 -1.013 3.193 . . . 1.0 . . . . . . . . . . . . A . 25 MVA HG23 . . . . . . . . . c30498_6e5j 1 . 10 . 4485 . 1 1 25 MVA HN1 H -5.402 4.293 3.643 . . . 1.0 . . . . . . . . . . . . A . 25 MVA HN1 . . . . . . . . . c30498_6e5j 1 . 10 . 4486 . 1 1 25 MVA HN2 H -4.633 5.466 2.574 . . . 1.0 . . . . . . . . . . . . A . 25 MVA HN2 . . . . . . . . . c30498_6e5j 1 . 10 . 4487 . 1 1 25 MVA HN3 H -3.664 4.560 3.736 . . . 1.0 . . . . . . . . . . . . A . 25 MVA HN3 . . . . . . . . . c30498_6e5j 1 . 10 . 4488 . 1 1 25 MVA N N -4.299 3.452 2.062 . . . 1.0 . . . . . . . . . . . . A . 25 MVA N . . . . . . . . . c30498_6e5j 1 . 10 . 4489 . 1 1 25 MVA O O -6.669 2.815 3.869 . . . 1.0 . . . . . . . . . . . . A . 25 MVA O . . . . . . . . . c30498_6e5j 1 . 10 . 4490 . 1 1 26 HIS C C -9.675 1.004 2.096 . . . 1.0 . . . . . . . . . . . . A . 26 HIS C . . . . . . . . . c30498_6e5j 1 . 10 . 4491 . 1 1 26 HIS CA C -8.942 2.318 2.333 . . . 1.0 . . . . . . . . . . . . A . 26 HIS CA . . . . . . . . . c30498_6e5j 1 . 10 . 4492 . 1 1 26 HIS CB C -9.650 3.439 1.565 . . . 1.0 . . . . . . . . . . . . A . 26 HIS CB . . . . . . . . . c30498_6e5j 1 . 10 . 4493 . 1 1 26 HIS CD2 C -8.053 5.442 1.134 . . . 1.0 . . . . . . . . . . . . A . 26 HIS CD2 . . . . . . . . . c30498_6e5j 1 . 10 . 4494 . 1 1 26 HIS CE1 C -8.814 6.795 2.675 . . . 1.0 . . . . . . . . . . . . A . 26 HIS CE1 . . . . . . . . . c30498_6e5j 1 . 10 . 4495 . 1 1 26 HIS CG C -9.061 4.802 1.775 . . . 1.0 . . . . . . . . . . . . A . 26 HIS CG . . . . . . . . . c30498_6e5j 1 . 10 . 4496 . 1 1 26 HIS H H -7.376 1.880 0.988 . . . 1.0 . . . . . . . . . . . . A . 26 HIS H . . . . . . . . . c30498_6e5j 1 . 10 . 4497 . 1 1 26 HIS HA H -8.949 2.546 3.387 . . . 1.0 . . . . . . . . . . . . A . 26 HIS HA . . . . . . . . . c30498_6e5j 1 . 10 . 4498 . 1 1 26 HIS HB2 H -9.608 3.220 0.509 . . . 1.0 . . . . . . . . . . . . A . 26 HIS HB2 . . . . . . . . . c30498_6e5j 1 . 10 . 4499 . 1 1 26 HIS HB3 H -10.684 3.474 1.875 . . . 1.0 . . . . . . . . . . . . A . 26 HIS HB3 . . . . . . . . . c30498_6e5j 1 . 10 . 4500 . 1 1 26 HIS HD1 H -10.250 5.512 3.364 . . . 1.0 . . . . . . . . . . . . A . 26 HIS HD1 . . . . . . . . . c30498_6e5j 1 . 10 . 4501 . 1 1 26 HIS HD2 H -7.465 5.054 0.315 . . . 1.0 . . . . . . . . . . . . A . 26 HIS HD2 . . . . . . . . . c30498_6e5j 1 . 10 . 4502 . 1 1 26 HIS HE1 H -8.949 7.658 3.305 . . . 1.0 . . . . . . . . . . . . A . 26 HIS HE1 . . . . . . . . . c30498_6e5j 1 . 10 . 4503 . 1 1 26 HIS HE2 H -7.176 7.301 1.558 . . . 1.0 . . . . . . . . . . . . A . 26 HIS HE2 . . . . . . . . . c30498_6e5j 1 . 10 . 4504 . 1 1 26 HIS N N -7.558 2.192 1.901 . . . 1.0 . . . . . . . . . . . . A . 26 HIS N . . . . . . . . . c30498_6e5j 1 . 10 . 4505 . 1 1 26 HIS ND1 N -9.514 5.680 2.735 . . . 1.0 . . . . . . . . . . . . A . 26 HIS ND1 . . . . . . . . . c30498_6e5j 1 . 10 . 4506 . 1 1 26 HIS NE2 N -7.921 6.677 1.713 . . . 1.0 . . . . . . . . . . . . A . 26 HIS NE2 . . . . . . . . . c30498_6e5j 1 . 10 . 4507 . 1 1 26 HIS O O -9.907 0.616 0.953 . . . 1.0 . . . . . . . . . . . . A . 26 HIS O . . . . . . . . . c30498_6e5j 1 . 10 . 4508 . 1 1 27 CYS C C -12.237 -0.722 3.156 . . . 1.0 . . . . . . . . . . . . A . 27 CYS C . . . . . . . . . c30498_6e5j 1 . 10 . 4509 . 1 1 27 CYS CA C -10.734 -0.949 3.063 . . . 1.0 . . . . . . . . . . . . A . 27 CYS CA . . . . . . . . . c30498_6e5j 1 . 10 . 4510 . 1 1 27 CYS CB C -10.277 -1.914 4.157 . . . 1.0 . . . . . . . . . . . . A . 27 CYS CB . . . . . . . . . c30498_6e5j 1 . 10 . 4511 . 1 1 27 CYS H H -9.786 0.660 4.055 . . . 1.0 . . . . . . . . . . . . A . 27 CYS H . . . . . . . . . c30498_6e5j 1 . 10 . 4512 . 1 1 27 CYS HA H -10.504 -1.379 2.099 . . . 1.0 . . . . . . . . . . . . A . 27 CYS HA . . . . . . . . . c30498_6e5j 1 . 10 . 4513 . 1 1 27 CYS HB2 H -10.434 -1.454 5.120 . . . 1.0 . . . . . . . . . . . . A . 27 CYS HB2 . . . . . . . . . c30498_6e5j 1 . 10 . 4514 . 1 1 27 CYS HB3 H -10.866 -2.816 4.095 . . . 1.0 . . . . . . . . . . . . A . 27 CYS HB3 . . . . . . . . . c30498_6e5j 1 . 10 . 4515 . 1 1 27 CYS N N -10.019 0.315 3.168 . . . 1.0 . . . . . . . . . . . . A . 27 CYS N . . . . . . . . . c30498_6e5j 1 . 10 . 4516 . 1 1 27 CYS O O -12.856 -0.935 4.203 . . . 1.0 . . . . . . . . . . . . A . 27 CYS O . . . . . . . . . c30498_6e5j 1 . 10 . 4517 . 1 1 27 CYS SG S -8.519 -2.386 4.048 . . . 1.0 . . . . . . . . . . . . A . 27 CYS SG . . . . . . . . . c30498_6e5j 1 . 10 . 4518 . 1 1 28 NH2 HN1 H -12.269 -0.145 1.258 . . . 1.0 . . . . . . . . . . . . A . 28 NH2 HN1 . . . . . . . . . c30498_6e5j 1 . 10 . 4519 . 1 1 28 NH2 HN2 H -13.791 -0.138 2.080 . . . 1.0 . . . . . . . . . . . . A . 28 NH2 HN2 . . . . . . . . . c30498_6e5j 1 . 10 . 4520 . 1 1 28 NH2 N N -12.827 -0.293 2.056 . . . 1.0 . . . . . . . . . . . . A . 28 NH2 N . . . . . . . . . c30498_6e5j 1 stop_ save_ ########################### # Constraint Statistics # ########################### save_constraint_statistics _Constraint_stat_list.Sf_framecode constraint_statistics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID c30498_6e5j _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 6e5j.mr . . 'MR format' 1 comment 'Not applicable' 'Not applicable' 0 c30498_6e5j 1 1 6e5j.mr . . XPLOR/CNS 2 distance NOE ambi 440 c30498_6e5j 1 1 6e5j.mr . . XPLOR/CNS 3 'dihedral angle' 'Not applicable' 'Not applicable' 14 c30498_6e5j 1 1 6e5j.mr . . XPLOR/CNS 4 distance 'hydrogen bond' simple 24 c30498_6e5j 1 1 6e5j.mr . . 'MR format' 5 'nomenclature mapping' 'Not applicable' 'Not applicable' 0 c30498_6e5j 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 c30498_6e5j _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 . . . . c30498_6e5j 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 15 15 GLU H H . . . 1 1 25 25 MVA HG21 H . . . . . 3.311 1.940 4.682 . . . . . A . 15 GLU H . . A . 25 MVA HG21 . . . 15 . HN . . . . . 25 . HG21 . . c30498_6e5j 1 1 2 OR . 1 1 15 15 GLU H H . . . 1 1 16 16 MVA HG11 H . . . . . 3.311 1.940 4.682 . . . . . A . 15 GLU H . . A . 16 MVA HG11 . . . 15 . HN . . . . . 16 . HG11 . . c30498_6e5j 1 1 3 OR . 1 1 16 16 MVA HG11 H . . . 1 1 18 18 CYS H H . . . . . 3.311 1.940 4.682 . . . . . A . 16 MVA HG11 . . A . 18 CYS H . . . 16 . HG11 . . . . . 18 . HN . . c30498_6e5j 1 2 1 OR . 1 1 16 16 MVA HG11 H . . . 1 1 14 14 CYS H H . . . . . 3.573 1.978 5.168 . . . . . A . 16 MVA HG11 . . A . 14 CYS H . . . 16 . HG11 . . . . . 14 . HN . . c30498_6e5j 1 2 2 OR . 1 1 25 25 MVA HG21 H . . . 1 1 14 14 CYS H H . . . . . 3.573 1.978 5.168 . . . . . A . 25 MVA HG21 . . A . 14 CYS H . . . 25 . HG21 . . . . . 14 . HN . . c30498_6e5j 1 3 1 OR . 1 1 25 25 MVA HG21 H . . . 1 1 25 25 MVA HB H . . . . . 1.987 1.493 2.481 . . . . . A . 25 MVA HG21 . . A . 25 MVA HB . . . 25 . HG21 . . . . . 25 . HB . . c30498_6e5j 1 3 2 OR . 1 1 16 16 MVA HG11 H . . . 1 1 16 16 MVA HB H . . . . . 1.987 1.493 2.481 . . . . . A . 16 MVA HG11 . . A . 16 MVA HB . . . 16 . HG11 . . . . . 16 . HB . . c30498_6e5j 1 3 3 OR . 1 1 25 25 MVA HG21 H . . . 1 1 16 16 MVA HB H . . . . . 1.987 1.493 2.481 . . . . . A . 25 MVA HG21 . . A . 16 MVA HB . . . 25 . HG21 . . . . . 16 . HB . . c30498_6e5j 1 4 1 OR . 1 1 16 16 MVA HG11 H . . . 1 1 11 11 TYR H H . . . . . 3.549 1.974 5.124 . . . . . A . 16 MVA HG11 . . A . 11 TYR H . . . 16 . HG11 . . . . . 11 . HN . . c30498_6e5j 1 4 2 OR . 1 1 25 25 MVA HG21 H . . . 1 1 11 11 TYR H H . . . . . 3.549 1.974 5.124 . . . . . A . 25 MVA HG21 . . A . 11 TYR H . . . 25 . HG21 . . . . . 11 . HN . . c30498_6e5j 1 5 1 OR . 1 1 25 25 MVA HG21 H . . . 1 1 17 17 ARG H H . . . . . 3.200 1.920 4.480 . . . . . A . 25 MVA HG21 . . A . 17 ARG H . . . 25 . HG21 . . . . . 17 . HN . . c30498_6e5j 1 5 2 OR . 1 1 16 16 MVA HG11 H . . . 1 1 17 17 ARG H H . . . . . 3.200 1.920 4.480 . . . . . A . 16 MVA HG11 . . A . 17 ARG H . . . 16 . HG11 . . . . . 17 . HN . . c30498_6e5j 1 6 1 OR . 1 1 16 16 MVA HG11 H . . . 1 1 8 8 LYS H H . . . . . 3.970 2.000 5.940 . . . . . A . 16 MVA HG11 . . A . 8 LYS H . . . 16 . HG11 . . . . . 8 . HN . . c30498_6e5j 1 6 2 OR . 1 1 8 8 LYS H H . . . 1 1 7 7 LEU MD1 H . . . . . 3.970 2.000 5.940 . . . . . A . 8 LYS H . . A . 7 LEU MD1 . . . 8 . HN . . . . . 7 . HD11 . . c30498_6e5j 1 7 1 OR . 1 1 8 8 LYS H H . . . 1 1 7 7 LEU MD2 H . . . . . 3.473 1.965 4.981 . . . . . A . 8 LYS H . . A . 7 LEU MD2 . . . 8 . HN . . . . . 7 . HD21 . . c30498_6e5j 1 7 2 OR . 1 1 8 8 LYS H H . . . 1 1 7 7 LEU MD1 H . . . . . 3.473 1.965 4.981 . . . . . A . 8 LYS H . . A . 7 LEU MD1 . . . 8 . HN . . . . . 7 . HD11 . . c30498_6e5j 1 8 1 OR . 1 1 25 25 MVA HB H . . . 1 1 16 16 MVA HG21 H . . . . . 2.222 1.605 2.839 . . . . . A . 25 MVA HB . . A . 16 MVA HG21 . . . 25 . HB . . . . . 16 . HG21 . . c30498_6e5j 1 8 2 OR . 1 1 16 16 MVA HB H . . . 1 1 16 16 MVA HG21 H . . . . . 2.222 1.605 2.839 . . . . . A . 16 MVA HB . . A . 16 MVA HG21 . . . 16 . HB . . . . . 16 . HG21 . . c30498_6e5j 1 9 1 OR . 1 1 18 18 CYS H H . . . 1 1 17 17 ARG HG2 H . . . . . 3.755 1.992 5.518 . . . . . A . 18 CYS H . . A . 17 ARG HG2 . . . 18 . HN . . . . . 17 . HG1 . . c30498_6e5j 1 9 2 OR . 1 1 18 18 CYS H H . . . 1 1 8 8 LYS HG3 H . . . . . 3.755 1.992 5.518 . . . . . A . 18 CYS H . . A . 8 LYS HG3 . . . 18 . HN . . . . . 8 . HG2 . . c30498_6e5j 1 10 1 OR . 1 1 18 18 CYS H H . . . 1 1 17 17 ARG HB2 H . . . . . 3.262 1.932 4.592 . . . . . A . 18 CYS H . . A . 17 ARG HB2 . . . 18 . HN . . . . . 17 . HB1 . . c30498_6e5j 1 10 2 OR . 1 1 18 18 CYS H H . . . 1 1 8 8 LYS HB2 H . . . . . 3.262 1.932 4.592 . . . . . A . 18 CYS H . . A . 8 LYS HB2 . . . 18 . HN . . . . . 8 . HB1 . . c30498_6e5j 1 11 1 OR . 1 1 8 8 LYS H H . . . 1 1 8 8 LYS HB2 H . . . . . 2.452 1.701 3.203 . . . . . A . 8 LYS H . . A . 8 LYS HB2 . . . 8 . HN . . . . . 8 . HB1 . . c30498_6e5j 1 11 2 OR . 1 1 8 8 LYS H H . . . 1 1 7 7 LEU HB3 H . . . . . 2.452 1.701 3.203 . . . . . A . 8 LYS H . . A . 7 LEU HB3 . . . 8 . HN . . . . . 7 . HB2 . . c30498_6e5j 1 12 1 OR . 1 1 25 25 MVA HB H . . . 1 1 17 17 ARG H H . . . . . 3.333 1.945 4.721 . . . . . A . 25 MVA HB . . A . 17 ARG H . . . 25 . HB . . . . . 17 . HN . . c30498_6e5j 1 12 2 OR . 1 1 16 16 MVA HB H . . . 1 1 17 17 ARG H H . . . . . 3.333 1.945 4.721 . . . . . A . 16 MVA HB . . A . 17 ARG H . . . 16 . HB . . . . . 17 . HN . . c30498_6e5j 1 13 1 OR . 1 1 19 19 ASP H H . . . 1 1 24 24 GLU HG2 H . . . . . 3.951 1.999 5.903 . . . . . A . 19 ASP H . . A . 24 GLU HG2 . . . 19 . HN . . . . . 24 . HG1 . . c30498_6e5j 1 13 2 OR . 1 1 19 19 ASP H H . . . 1 1 24 24 GLU HG3 H . . . . . 3.951 1.999 5.903 . . . . . A . 19 ASP H . . A . 24 GLU HG3 . . . 19 . HN . . . . . 24 . HG2 . . c30498_6e5j 1 13 3 OR . 1 1 20 20 DPR HB3 H . . . 1 1 19 19 ASP H H . . . . . 3.951 1.999 5.903 . . . . . A . 20 DPR HB3 . . A . 19 ASP H . . . 20 . HB2 . . . . . 19 . HN . . c30498_6e5j 1 14 1 OR . 1 1 26 26 HIS H H . . . 1 1 15 15 GLU HG3 H . . . . . 3.286 1.936 4.636 . . . . . A . 26 HIS H . . A . 15 GLU HG3 . . . 26 . HN . . . . . 15 . HG2 . . c30498_6e5j 1 14 2 OR . 1 1 14 14 CYS HB2 H . . . 1 1 26 26 HIS H H . . . . . 3.286 1.936 4.636 . . . . . A . 14 CYS HB2 . . A . 26 HIS H . . . 14 . HB1 . . . . . 26 . HN . . c30498_6e5j 1 15 1 OR . 1 1 15 15 GLU H H . . . 1 1 15 15 GLU HG3 H . . . . . 2.476 1.710 3.242 . . . . . A . 15 GLU H . . A . 15 GLU HG3 . . . 15 . HN . . . . . 15 . HG2 . . c30498_6e5j 1 15 2 OR . 1 1 15 15 GLU H H . . . 1 1 14 14 CYS HB2 H . . . . . 2.476 1.710 3.242 . . . . . A . 15 GLU H . . A . 14 CYS HB2 . . . 15 . HN . . . . . 14 . HB1 . . c30498_6e5j 1 16 1 OR . 1 1 16 16 MVA HG11 H . . . 1 1 11 11 TYR HB2 H . . . . . 2.857 1.837 3.877 . . . . . A . 16 MVA HG11 . . A . 11 TYR HB2 . . . 16 . HG11 . . . . . 11 . HB1 . . c30498_6e5j 1 16 2 OR . 1 1 25 25 MVA HG21 H . . . 1 1 11 11 TYR HB2 H . . . . . 2.857 1.837 3.877 . . . . . A . 25 MVA HG21 . . A . 11 TYR HB2 . . . 25 . HG21 . . . . . 11 . HB1 . . c30498_6e5j 1 17 1 OR . 1 1 14 14 CYS H H . . . 1 1 11 11 TYR HB2 H . . . . . 3.464 1.964 4.964 . . . . . A . 14 CYS H . . A . 11 TYR HB2 . . . 14 . HN . . . . . 11 . HB1 . . c30498_6e5j 1 17 2 OR . 1 1 10 10 ARG H H . . . 1 1 11 11 TYR HB2 H . . . . . 3.464 1.964 4.964 . . . . . A . 10 ARG H . . A . 11 TYR HB2 . . . 10 . HN . . . . . 11 . HB1 . . c30498_6e5j 1 18 1 OR . 1 1 8 8 LYS H H . . . 1 1 23 23 TYR HB2 H . . . . . 3.913 1.999 5.827 . . . . . A . 8 LYS H . . A . 23 TYR HB2 . . . 8 . HN . . . . . 23 . HB1 . . c30498_6e5j 1 18 2 OR . 1 1 8 8 LYS H H . . . 1 1 23 23 TYR HB3 H . . . . . 3.913 1.999 5.827 . . . . . A . 8 LYS H . . A . 23 TYR HB3 . . . 8 . HN . . . . . 23 . HB2 . . c30498_6e5j 1 18 3 OR . 1 1 8 8 LYS H H . . . 1 1 11 11 TYR HB2 H . . . . . 3.913 1.999 5.827 . . . . . A . 8 LYS H . . A . 11 TYR HB2 . . . 8 . HN . . . . . 11 . HB1 . . c30498_6e5j 1 19 1 OR . 1 1 11 11 TYR HB2 H . . . 1 1 8 8 LYS HA H . . . . . 3.276 1.934 4.618 . . . . . A . 11 TYR HB2 . . A . 8 LYS HA . . . 11 . HB1 . . . . . 8 . HA . . c30498_6e5j 1 19 2 OR . 1 1 3 3 B3K HB H . . . 1 1 2 2 ASP HB2 H . . . . . 3.276 1.934 4.618 . . . . . A . 3 B3K HB . . A . 2 ASP HB2 . . . 3 . HB . . . . . 2 . HB1 . . c30498_6e5j 1 19 3 OR . 1 1 3 3 B3K HB H . . . 1 1 2 2 ASP HB3 H . . . . . 3.276 1.934 4.618 . . . . . A . 3 B3K HB . . A . 2 ASP HB3 . . . 3 . HB . . . . . 2 . HB2 . . c30498_6e5j 1 20 1 OR . 1 1 4 4 CYS H H . . . 1 1 18 18 CYS HB2 H . . . . . 4.016 2.000 6.032 . . . . . A . 4 CYS H . . A . 18 CYS HB2 . . . 4 . HN . . . . . 18 . HB1 . . c30498_6e5j 1 20 2 OR . 1 1 4 4 CYS H H . . . 1 1 5 5 LYS HE2 H . . . . . 4.016 2.000 6.032 . . . . . A . 4 CYS H . . A . 5 LYS HE2 . . . 4 . HN . . . . . 5 . HE1 . . c30498_6e5j 1 20 3 OR . 1 1 5 5 LYS HE3 H . . . 1 1 4 4 CYS H H . . . . . 4.016 2.000 6.032 . . . . . A . 5 LYS HE3 . . A . 4 CYS H . . . 5 . HE2 . . . . . 4 . HN . . c30498_6e5j 1 21 1 OR . 1 1 25 25 MVA HG21 H . . . 1 1 11 11 TYR HB3 H . . . . . 2.630 1.765 3.495 . . . . . A . 25 MVA HG21 . . A . 11 TYR HB3 . . . 25 . HG21 . . . . . 11 . HB2 . . c30498_6e5j 1 21 2 OR . 1 1 16 16 MVA HG11 H . . . 1 1 11 11 TYR HB3 H . . . . . 2.630 1.765 3.495 . . . . . A . 16 MVA HG11 . . A . 11 TYR HB3 . . . 16 . HG11 . . . . . 11 . HB2 . . c30498_6e5j 1 22 1 OR . 1 1 15 15 GLU H H . . . 1 1 26 26 HIS HB2 H . . . . . 3.243 1.928 4.558 . . . . . A . 15 GLU H . . A . 26 HIS HB2 . . . 15 . HN . . . . . 26 . HB1 . . c30498_6e5j 1 22 2 OR . 1 1 18 18 CYS H H . . . 1 1 17 17 ARG HD2 H . . . . . 3.243 1.928 4.558 . . . . . A . 18 CYS H . . A . 17 ARG HD2 . . . 18 . HN . . . . . 17 . HD1 . . c30498_6e5j 1 22 3 OR . 1 1 18 18 CYS H H . . . 1 1 17 17 ARG HD3 H . . . . . 3.243 1.928 4.558 . . . . . A . 18 CYS H . . A . 17 ARG HD3 . . . 18 . HN . . . . . 17 . HD2 . . c30498_6e5j 1 23 1 OR . 1 1 17 17 ARG H H . . . 1 1 18 18 CYS HB3 H . . . . . 3.595 1.979 5.211 . . . . . A . 17 ARG H . . A . 18 CYS HB3 . . . 17 . HN . . . . . 18 . HB2 . . c30498_6e5j 1 23 2 OR . 1 1 17 17 ARG H H . . . 1 1 26 26 HIS HB3 H . . . . . 3.595 1.979 5.211 . . . . . A . 17 ARG H . . A . 26 HIS HB3 . . . 17 . HN . . . . . 26 . HB2 . . c30498_6e5j 1 24 1 OR . 1 1 8 8 LYS HA H . . . 1 1 18 18 CYS HB3 H . . . . . 3.226 1.925 4.527 . . . . . A . 8 LYS HA . . A . 18 CYS HB3 . . . 8 . HA . . . . . 18 . HB2 . . c30498_6e5j 1 24 2 OR . 1 1 18 18 CYS HB3 H . . . 1 1 5 5 LYS HA H . . . . . 3.226 1.925 4.527 . . . . . A . 18 CYS HB3 . . A . 5 LYS HA . . . 18 . HB2 . . . . . 5 . HA . . c30498_6e5j 1 25 1 OR . 1 1 11 11 TYR HD2 H . . . 1 1 10 10 ARG HA H . . . . . 3.061 1.890 4.232 . . . . . A . 11 TYR HD2 . . A . 10 ARG HA . . . 11 . HD2 . . . . . 10 . HA . . c30498_6e5j 1 25 2 OR . 1 1 11 11 TYR HD1 H . . . 1 1 10 10 ARG HA H . . . . . 3.061 1.890 4.232 . . . . . A . 11 TYR HD1 . . A . 10 ARG HA . . . 11 . HD1 . . . . . 10 . HA . . c30498_6e5j 1 25 3 OR . 1 1 11 11 TYR HD2 H . . . 1 1 8 8 LYS HA H . . . . . 3.061 1.890 4.232 . . . . . A . 11 TYR HD2 . . A . 8 LYS HA . . . 11 . HD2 . . . . . 8 . HA . . c30498_6e5j 1 25 4 OR . 1 1 11 11 TYR HD1 H . . . 1 1 8 8 LYS HA H . . . . . 3.061 1.890 4.232 . . . . . A . 11 TYR HD1 . . A . 8 LYS HA . . . 11 . HD1 . . . . . 8 . HA . . c30498_6e5j 1 26 1 OR . 1 1 4 4 CYS HA H . . . 1 1 7 7 LEU H H . . . . . 2.337 1.654 3.020 . . . . . A . 4 CYS HA . . A . 7 LEU H . . . 4 . HA . . . . . 7 . HN . . c30498_6e5j 1 26 2 OR . 1 1 4 4 CYS HA H . . . 1 1 5 5 LYS H H . . . . . 2.337 1.654 3.020 . . . . . A . 4 CYS HA . . A . 5 LYS H . . . 4 . HA . . . . . 5 . HN . . c30498_6e5j 1 27 1 OR . 1 1 21 21 PRO HA H . . . 1 1 21 21 PRO HG2 H . . . . . 3.217 1.923 4.511 . . . . . A . 21 PRO HA . . A . 21 PRO HG2 . . . 21 . HA . . . . . 21 . HG1 . . c30498_6e5j 1 27 2 OR . 1 1 21 21 PRO HA H . . . 1 1 20 20 DPR HB2 H . . . . . 3.217 1.923 4.511 . . . . . A . 21 PRO HA . . A . 20 DPR HB2 . . . 21 . HA . . . . . 20 . HB1 . . c30498_6e5j 1 28 1 OR . 1 1 25 25 MVA HB H . . . 1 1 25 25 MVA HA H . . . . . 2.732 1.799 3.665 . . . . . A . 25 MVA HB . . A . 25 MVA HA . . . 25 . HB . . . . . 25 . HA . . c30498_6e5j 1 28 2 OR . 1 1 16 16 MVA HB H . . . 1 1 25 25 MVA HA H . . . . . 2.732 1.799 3.665 . . . . . A . 16 MVA HB . . A . 25 MVA HA . . . 16 . HB . . . . . 25 . HA . . c30498_6e5j 1 29 1 OR . 1 1 26 26 HIS HA H . . . 1 1 26 26 HIS HD2 H . . . . . 3.413 1.957 4.869 . . . . . A . 26 HIS HA . . A . 26 HIS HD2 . . . 26 . HA . . . . . 26 . HD2 . . c30498_6e5j 1 29 2 OR . 1 1 25 25 MVA HA H . . . 1 1 26 26 HIS HD2 H . . . . . 3.413 1.957 4.869 . . . . . A . 25 MVA HA . . A . 26 HIS HD2 . . . 25 . HA . . . . . 26 . HD2 . . c30498_6e5j 1 30 1 OR . 1 1 26 26 HIS HB3 H . . . 1 1 26 26 HIS HA H . . . . . 2.096 1.547 2.645 . . . . . A . 26 HIS HB3 . . A . 26 HIS HA . . . 26 . HB2 . . . . . 26 . HA . . c30498_6e5j 1 30 2 OR . 1 1 18 18 CYS HB3 H . . . 1 1 18 18 CYS HA H . . . . . 2.096 1.547 2.645 . . . . . A . 18 CYS HB3 . . A . 18 CYS HA . . . 18 . HB2 . . . . . 18 . HA . . c30498_6e5j 1 31 1 OR . 1 1 18 18 CYS H H . . . 1 1 18 18 CYS HA H . . . . . 2.692 1.786 3.598 . . . . . A . 18 CYS H . . A . 18 CYS HA . . . 18 . HN . . . . . 18 . HA . . c30498_6e5j 1 31 2 OR . 1 1 15 15 GLU H H . . . 1 1 15 15 GLU HA H . . . . . 2.692 1.786 3.598 . . . . . A . 15 GLU H . . A . 15 GLU HA . . . 15 . HN . . . . . 15 . HA . . c30498_6e5j 1 32 1 OR . 1 1 16 16 MVA HG11 H . . . 1 1 16 16 MVA HA H . . . . . 2.333 1.653 3.013 . . . . . A . 16 MVA HG11 . . A . 16 MVA HA . . . 16 . HG11 . . . . . 16 . HA . . c30498_6e5j 1 32 2 OR . 1 1 25 25 MVA HG21 H . . . 1 1 16 16 MVA HA H . . . . . 2.333 1.653 3.013 . . . . . A . 25 MVA HG21 . . A . 16 MVA HA . . . 25 . HG21 . . . . . 16 . HA . . c30498_6e5j 1 33 1 OR . 1 1 18 18 CYS HB3 H . . . 1 1 23 23 TYR HA H . . . . . 2.943 1.860 4.026 . . . . . A . 18 CYS HB3 . . A . 23 TYR HA . . . 18 . HB2 . . . . . 23 . HA . . c30498_6e5j 1 33 2 OR . 1 1 26 26 HIS HB3 H . . . 1 1 16 16 MVA HA H . . . . . 2.943 1.860 4.026 . . . . . A . 26 HIS HB3 . . A . 16 MVA HA . . . 26 . HB2 . . . . . 16 . HA . . c30498_6e5j 1 34 1 OR . 1 1 23 23 TYR HA H . . . 1 1 22 22 ARG H H . . . . . 3.861 1.998 5.724 . . . . . A . 23 TYR HA . . A . 22 ARG H . . . 23 . HA . . . . . 22 . HN . . c30498_6e5j 1 34 2 OR . 1 1 19 19 ASP HA H . . . 1 1 22 22 ARG H H . . . . . 3.861 1.998 5.724 . . . . . A . 19 ASP HA . . A . 22 ARG H . . . 19 . HA . . . . . 22 . HN . . c30498_6e5j 1 35 1 OR . 1 1 19 19 ASP HA H . . . 1 1 19 19 ASP HB2 H . . . . . 2.598 1.754 3.442 . . . . . A . 19 ASP HA . . A . 19 ASP HB2 . . . 19 . HA . . . . . 19 . HB1 . . c30498_6e5j 1 35 2 OR . 1 1 14 14 CYS HB2 H . . . 1 1 14 14 CYS HA H . . . . . 2.598 1.754 3.442 . . . . . A . 14 CYS HB2 . . A . 14 CYS HA . . . 14 . HB1 . . . . . 14 . HA . . c30498_6e5j 1 36 1 OR . 1 1 25 25 MVA HB H . . . 1 1 24 24 GLU HA H . . . . . 3.422 1.958 4.886 . . . . . A . 25 MVA HB . . A . 24 GLU HA . . . 25 . HB . . . . . 24 . HA . . c30498_6e5j 1 36 2 OR . 1 1 19 19 ASP HA H . . . 1 1 20 20 DPR HG3 H . . . . . 3.422 1.958 4.886 . . . . . A . 19 ASP HA . . A . 20 DPR HG3 . . . 19 . HA . . . . . 20 . HG2 . . c30498_6e5j 1 37 1 OR . 1 1 24 24 GLU HA H . . . 1 1 23 23 TYR HD1 H . . . . . 3.582 1.978 5.186 . . . . . A . 24 GLU HA . . A . 23 TYR HD1 . . . 24 . HA . . . . . 23 . HD1 . . c30498_6e5j 1 37 2 OR . 1 1 19 19 ASP HA H . . . 1 1 23 23 TYR HD2 H . . . . . 3.582 1.978 5.186 . . . . . A . 19 ASP HA . . A . 23 TYR HD2 . . . 19 . HA . . . . . 23 . HD2 . . c30498_6e5j 1 37 3 OR . 1 1 19 19 ASP HA H . . . 1 1 23 23 TYR HD1 H . . . . . 3.582 1.978 5.186 . . . . . A . 19 ASP HA . . A . 23 TYR HD1 . . . 19 . HA . . . . . 23 . HD1 . . c30498_6e5j 1 37 4 OR . 1 1 24 24 GLU HA H . . . 1 1 23 23 TYR HD2 H . . . . . 3.582 1.978 5.186 . . . . . A . 24 GLU HA . . A . 23 TYR HD2 . . . 24 . HA . . . . . 23 . HD2 . . c30498_6e5j 1 38 1 OR . 1 1 7 7 LEU H H . . . 1 1 23 23 TYR HE2 H . . . . . 3.761 1.993 5.529 . . . . . A . 7 LEU H . . A . 23 TYR HE2 . . . 7 . HN . . . . . 23 . HE2 . . c30498_6e5j 1 38 2 OR . 1 1 7 7 LEU H H . . . 1 1 23 23 TYR HE1 H . . . . . 3.761 1.993 5.529 . . . . . A . 7 LEU H . . A . 23 TYR HE1 . . . 7 . HN . . . . . 23 . HE1 . . c30498_6e5j 1 38 3 OR . 1 1 5 5 LYS H H . . . 1 1 23 23 TYR HE2 H . . . . . 3.761 1.993 5.529 . . . . . A . 5 LYS H . . A . 23 TYR HE2 . . . 5 . HN . . . . . 23 . HE2 . . c30498_6e5j 1 38 4 OR . 1 1 5 5 LYS H H . . . 1 1 23 23 TYR HE1 H . . . . . 3.761 1.993 5.529 . . . . . A . 5 LYS H . . A . 23 TYR HE1 . . . 5 . HN . . . . . 23 . HE1 . . c30498_6e5j 1 39 1 OR . 1 1 14 14 CYS H H . . . 1 1 12 12 ABA H H . . . . . 3.322 1.943 4.701 . . . . . A . 14 CYS H . . A . 12 AIB H . . . 14 . HN . . . . . 12 . HN . . c30498_6e5j 1 39 2 OR . 1 1 10 10 ARG H H . . . 1 1 12 12 ABA H H . . . . . 3.322 1.943 4.701 . . . . . A . 10 ARG H . . A . 12 AIB H . . . 10 . HN . . . . . 12 . HN . . c30498_6e5j 1 40 1 OR . 1 1 3 3 B3K HB H . . . 1 1 7 7 LEU H H . . . . . 2.652 1.773 3.531 . . . . . A . 3 B3K HB . . A . 7 LEU H . . . 3 . HB . . . . . 7 . HN . . c30498_6e5j 1 40 2 OR . 1 1 5 5 LYS HA H . . . 1 1 5 5 LYS H H . . . . . 2.652 1.773 3.531 . . . . . A . 5 LYS HA . . A . 5 LYS H . . . 5 . HA . . . . . 5 . HN . . c30498_6e5j 1 41 1 OR . 1 1 7 7 LEU H H . . . 1 1 7 7 LEU HA H . . . . . 2.581 1.749 3.413 . . . . . A . 7 LEU H . . A . 7 LEU HA . . . 7 . HN . . . . . 7 . HA . . c30498_6e5j 1 41 2 OR . 1 1 6 6 B3E HB H . . . 1 1 7 7 LEU H H . . . . . 2.581 1.749 3.413 . . . . . A . 6 B3E HB . . A . 7 LEU H . . . 6 . HB . . . . . 7 . HN . . c30498_6e5j 1 42 1 . . 1 1 24 24 GLU H H . . . 1 1 25 25 MVA HG11 H . . . . . 3.618 1.982 5.254 . . . . . A . 24 GLU H . . A . 25 MVA HG11 . . . 24 . HN . . . . . 25 . HG11 . . c30498_6e5j 1 43 1 OR . 1 1 11 11 TYR HE2 H . . . 1 1 25 25 MVA HG11 H . . . . . 3.111 1.901 4.321 . . . . . A . 11 TYR HE2 . . A . 25 MVA HG11 . . . 11 . HE2 . . . . . 25 . HG11 . . c30498_6e5j 1 43 2 OR . 1 1 11 11 TYR HE1 H . . . 1 1 25 25 MVA HG11 H . . . . . 3.111 1.901 4.321 . . . . . A . 11 TYR HE1 . . A . 25 MVA HG11 . . . 11 . HE1 . . . . . 25 . HG11 . . c30498_6e5j 1 44 1 . . 1 1 17 17 ARG H H . . . 1 1 25 25 MVA HG11 H . . . . . 3.344 1.947 4.741 . . . . . A . 17 ARG H . . A . 25 MVA HG11 . . . 17 . HN . . . . . 25 . HG11 . . c30498_6e5j 1 45 1 . . 1 1 25 25 MVA HB H . . . 1 1 25 25 MVA HG11 H . . . . . 2.314 1.644 2.984 . . . . . A . 25 MVA HB . . A . 25 MVA HG11 . . . 25 . HB . . . . . 25 . HG11 . . c30498_6e5j 1 46 1 . . 1 1 26 26 HIS H H . . . 1 1 25 25 MVA HG11 H . . . . . 3.508 1.970 5.046 . . . . . A . 26 HIS H . . A . 25 MVA HG11 . . . 26 . HN . . . . . 25 . HG11 . . c30498_6e5j 1 47 1 OR . 1 1 11 11 TYR HD1 H . . . 1 1 25 25 MVA HG11 H . . . . . 3.281 1.935 4.627 . . . . . A . 11 TYR HD1 . . A . 25 MVA HG11 . . . 11 . HD1 . . . . . 25 . HG11 . . c30498_6e5j 1 47 2 OR . 1 1 11 11 TYR HD2 H . . . 1 1 25 25 MVA HG11 H . . . . . 3.281 1.935 4.627 . . . . . A . 11 TYR HD2 . . A . 25 MVA HG11 . . . 11 . HD2 . . . . . 25 . HG11 . . c30498_6e5j 1 48 1 . . 1 1 16 16 MVA HG21 H . . . 1 1 25 25 MVA HG11 H . . . . . 2.512 1.723 3.301 . . . . . A . 16 MVA HG21 . . A . 25 MVA HG11 . . . 16 . HG21 . . . . . 25 . HG11 . . c30498_6e5j 1 49 1 . . 1 1 25 25 MVA HG21 H . . . 1 1 25 25 MVA HG11 H . . . . . 1.976 1.488 2.464 . . . . . A . 25 MVA HG21 . . A . 25 MVA HG11 . . . 25 . HG21 . . . . . 25 . HG11 . . c30498_6e5j 1 50 1 . . 1 1 25 25 MVA HG21 H . . . 1 1 27 27 CYS H H . . . . . 3.685 1.988 5.382 . . . . . A . 25 MVA HG21 . . A . 27 CYS H . . . 25 . HG21 . . . . . 27 . HN . . c30498_6e5j 1 51 1 . . 1 1 25 25 MVA HG21 H . . . 1 1 26 26 HIS H H . . . . . 2.737 1.800 3.674 . . . . . A . 25 MVA HG21 . . A . 26 HIS H . . . 25 . HG21 . . . . . 26 . HN . . c30498_6e5j 1 52 1 OR . 1 1 25 25 MVA HG21 H . . . 1 1 11 11 TYR HD1 H . . . . . 2.666 1.777 3.555 . . . . . A . 25 MVA HG21 . . A . 11 TYR HD1 . . . 25 . HG21 . . . . . 11 . HD1 . . c30498_6e5j 1 52 2 OR . 1 1 25 25 MVA HG21 H . . . 1 1 11 11 TYR HD2 H . . . . . 2.666 1.777 3.555 . . . . . A . 25 MVA HG21 . . A . 11 TYR HD2 . . . 25 . HG21 . . . . . 11 . HD2 . . c30498_6e5j 1 53 1 OR . 1 1 25 25 MVA HG21 H . . . 1 1 11 11 TYR HE1 H . . . . . 2.981 1.870 4.092 . . . . . A . 25 MVA HG21 . . A . 11 TYR HE1 . . . 25 . HG21 . . . . . 11 . HE1 . . c30498_6e5j 1 53 2 OR . 1 1 25 25 MVA HG21 H . . . 1 1 11 11 TYR HE2 H . . . . . 2.981 1.870 4.092 . . . . . A . 25 MVA HG21 . . A . 11 TYR HE2 . . . 25 . HG21 . . . . . 11 . HE2 . . c30498_6e5j 1 54 1 . . 1 1 16 16 MVA HG11 H . . . 1 1 9 9 B3K HB H . . . . . 5.161 1.831 8.491 . . . . . A . 16 MVA HG11 . . A . 9 B3K HB . . . 16 . HG11 . . . . . 9 . HB . . c30498_6e5j 1 55 1 . . 1 1 16 16 MVA HG11 H . . . 1 1 8 8 LYS HA H . . . . . 2.896 1.848 3.944 . . . . . A . 16 MVA HG11 . . A . 8 LYS HA . . . 16 . HG11 . . . . . 8 . HA . . c30498_6e5j 1 56 1 . . 1 1 7 7 LEU MD1 H . . . 1 1 7 7 LEU HA H . . . . . 3.572 1.977 5.167 . . . . . A . 7 LEU MD1 . . A . 7 LEU HA . . . 7 . HD11 . . . . . 7 . HA . . c30498_6e5j 1 57 1 . . 1 1 16 16 MVA HG11 H . . . 1 1 16 16 MVA HG21 H . . . . . 1.806 1.398 2.214 . . . . . A . 16 MVA HG11 . . A . 16 MVA HG21 . . . 16 . HG11 . . . . . 16 . HG21 . . c30498_6e5j 1 58 1 OR . 1 1 7 7 LEU MD1 H . . . 1 1 23 23 TYR HD2 H . . . . . 2.971 1.867 4.075 . . . . . A . 7 LEU MD1 . . A . 23 TYR HD2 . . . 7 . HD11 . . . . . 23 . HD2 . . c30498_6e5j 1 58 2 OR . 1 1 7 7 LEU MD1 H . . . 1 1 23 23 TYR HD1 H . . . . . 2.971 1.867 4.075 . . . . . A . 7 LEU MD1 . . A . 23 TYR HD1 . . . 7 . HD11 . . . . . 23 . HD1 . . c30498_6e5j 1 59 1 OR . 1 1 7 7 LEU MD1 H . . . 1 1 23 23 TYR HE1 H . . . . . 3.286 1.936 4.636 . . . . . A . 7 LEU MD1 . . A . 23 TYR HE1 . . . 7 . HD11 . . . . . 23 . HE1 . . c30498_6e5j 1 59 2 OR . 1 1 7 7 LEU MD1 H . . . 1 1 23 23 TYR HE2 H . . . . . 3.286 1.936 4.636 . . . . . A . 7 LEU MD1 . . A . 23 TYR HE2 . . . 7 . HD11 . . . . . 23 . HE2 . . c30498_6e5j 1 60 1 . . 1 1 7 7 LEU MD1 H . . . 1 1 7 7 LEU H H . . . . . 3.579 1.978 5.180 . . . . . A . 7 LEU MD1 . . A . 7 LEU H . . . 7 . HD11 . . . . . 7 . HN . . c30498_6e5j 1 61 1 . . 1 1 7 7 LEU MD2 H . . . 1 1 7 7 LEU HA H . . . . . 2.655 1.774 3.536 . . . . . A . 7 LEU MD2 . . A . 7 LEU HA . . . 7 . HD21 . . . . . 7 . HA . . c30498_6e5j 1 62 1 OR . 1 1 7 7 LEU MD2 H . . . 1 1 11 11 TYR HE1 H . . . . . 2.967 1.867 4.067 . . . . . A . 7 LEU MD2 . . A . 11 TYR HE1 . . . 7 . HD21 . . . . . 11 . HE1 . . c30498_6e5j 1 62 2 OR . 1 1 7 7 LEU MD2 H . . . 1 1 11 11 TYR HE2 H . . . . . 2.967 1.867 4.067 . . . . . A . 7 LEU MD2 . . A . 11 TYR HE2 . . . 7 . HD21 . . . . . 11 . HE2 . . c30498_6e5j 1 63 1 . . 1 1 7 7 LEU MD2 H . . . 1 1 7 7 LEU H H . . . . . 3.588 1.979 5.197 . . . . . A . 7 LEU MD2 . . A . 7 LEU H . . . 7 . HD21 . . . . . 7 . HN . . c30498_6e5j 1 64 1 OR . 1 1 7 7 LEU MD2 H . . . 1 1 11 11 TYR HD1 H . . . . . 3.049 1.887 4.211 . . . . . A . 7 LEU MD2 . . A . 11 TYR HD1 . . . 7 . HD21 . . . . . 11 . HD1 . . c30498_6e5j 1 64 2 OR . 1 1 7 7 LEU MD2 H . . . 1 1 11 11 TYR HD2 H . . . . . 3.049 1.887 4.211 . . . . . A . 7 LEU MD2 . . A . 11 TYR HD2 . . . 7 . HD21 . . . . . 11 . HD2 . . c30498_6e5j 1 65 1 . . 1 1 17 17 ARG H H . . . 1 1 16 16 MVA HG21 H . . . . . 2.733 1.799 3.667 . . . . . A . 17 ARG H . . A . 16 MVA HG21 . . . 17 . HN . . . . . 16 . HG21 . . c30498_6e5j 1 66 1 . . 1 1 16 16 MVA HG21 H . . . 1 1 24 24 GLU H H . . . . . 3.213 1.923 4.503 . . . . . A . 16 MVA HG21 . . A . 24 GLU H . . . 16 . HG21 . . . . . 24 . HN . . c30498_6e5j 1 67 1 . . 1 1 10 10 ARG HA H . . . 1 1 10 10 ARG HG2 H . . . . . 3.271 1.933 4.609 . . . . . A . 10 ARG HA . . A . 10 ARG HG2 . . . 10 . HA . . . . . 10 . HG1 . . c30498_6e5j 1 68 1 . . 1 1 10 10 ARG HG2 H . . . 1 1 10 10 ARG HE H . . . . . 2.649 1.772 3.526 . . . . . A . 10 ARG HG2 . . A . 10 ARG HE . . . 10 . HG1 . . . . . 10 . HE . . c30498_6e5j 1 69 1 . . 1 1 10 10 ARG H H . . . 1 1 10 10 ARG HG2 H . . . . . 3.217 1.923 4.511 . . . . . A . 10 ARG H . . A . 10 ARG HG2 . . . 10 . HN . . . . . 10 . HG1 . . c30498_6e5j 1 70 1 . . 1 1 10 10 ARG HA H . . . 1 1 10 10 ARG HG3 H . . . . . 2.981 1.870 4.092 . . . . . A . 10 ARG HA . . A . 10 ARG HG3 . . . 10 . HA . . . . . 10 . HG2 . . c30498_6e5j 1 71 1 . . 1 1 10 10 ARG H H . . . 1 1 10 10 ARG HG3 H . . . . . 3.405 1.956 4.854 . . . . . A . 10 ARG H . . A . 10 ARG HG3 . . . 10 . HN . . . . . 10 . HG2 . . c30498_6e5j 1 72 1 . . 1 1 10 10 ARG HE H . . . 1 1 10 10 ARG HG3 H . . . . . 3.799 1.995 5.603 . . . . . A . 10 ARG HE . . A . 10 ARG HG3 . . . 10 . HE . . . . . 10 . HG2 . . c30498_6e5j 1 73 1 . . 1 1 8 8 LYS H H . . . 1 1 8 8 LYS HG2 H . . . . . 3.291 1.937 4.645 . . . . . A . 8 LYS H . . A . 8 LYS HG2 . . . 8 . HN . . . . . 8 . HG1 . . c30498_6e5j 1 74 1 . . 1 1 5 5 LYS H H . . . 1 1 5 5 LYS HG2 H . . . . . 3.122 1.904 4.340 . . . . . A . 5 LYS H . . A . 5 LYS HG2 . . . 5 . HN . . . . . 5 . HG1 . . c30498_6e5j 1 75 1 . . 1 1 7 7 LEU H H . . . 1 1 7 7 LEU HG H . . . . . 2.945 1.861 4.029 . . . . . A . 7 LEU H . . A . 7 LEU HG . . . 7 . HN . . . . . 7 . HG . . c30498_6e5j 1 76 1 OR . 1 1 11 11 TYR HE2 H . . . 1 1 7 7 LEU HG H . . . . . 3.950 2.000 5.900 . . . . . A . 11 TYR HE2 . . A . 7 LEU HG . . . 11 . HE2 . . . . . 7 . HG . . c30498_6e5j 1 76 2 OR . 1 1 11 11 TYR HE1 H . . . 1 1 7 7 LEU HG H . . . . . 3.950 2.000 5.900 . . . . . A . 11 TYR HE1 . . A . 7 LEU HG . . . 11 . HE1 . . . . . 7 . HG . . c30498_6e5j 1 77 1 . . 1 1 11 11 TYR H H . . . 1 1 10 10 ARG HB2 H . . . . . 2.810 1.823 3.797 . . . . . A . 11 TYR H . . A . 10 ARG HB2 . . . 11 . HN . . . . . 10 . HB1 . . c30498_6e5j 1 78 1 . . 1 1 10 10 ARG H H . . . 1 1 10 10 ARG HB2 H . . . . . 2.585 1.750 3.420 . . . . . A . 10 ARG H . . A . 10 ARG HB2 . . . 10 . HN . . . . . 10 . HB1 . . c30498_6e5j 1 79 1 OR . 1 1 11 11 TYR HE2 H . . . 1 1 10 10 ARG HB2 H . . . . . 3.737 1.991 5.483 . . . . . A . 11 TYR HE2 . . A . 10 ARG HB2 . . . 11 . HE2 . . . . . 10 . HB1 . . c30498_6e5j 1 79 2 OR . 1 1 11 11 TYR HE1 H . . . 1 1 10 10 ARG HB2 H . . . . . 3.737 1.991 5.483 . . . . . A . 11 TYR HE1 . . A . 10 ARG HB2 . . . 11 . HE1 . . . . . 10 . HB1 . . c30498_6e5j 1 80 1 OR . 1 1 11 11 TYR HD2 H . . . 1 1 10 10 ARG HB2 H . . . . . 3.070 1.892 4.248 . . . . . A . 11 TYR HD2 . . A . 10 ARG HB2 . . . 11 . HD2 . . . . . 10 . HB1 . . c30498_6e5j 1 80 2 OR . 1 1 11 11 TYR HD1 H . . . 1 1 10 10 ARG HB2 H . . . . . 3.070 1.892 4.248 . . . . . A . 11 TYR HD1 . . A . 10 ARG HB2 . . . 11 . HD1 . . . . . 10 . HB1 . . c30498_6e5j 1 81 1 . . 1 1 17 17 ARG HG2 H . . . 1 1 17 17 ARG HE H . . . . . 3.333 1.945 4.721 . . . . . A . 17 ARG HG2 . . A . 17 ARG HE . . . 17 . HG1 . . . . . 17 . HE . . c30498_6e5j 1 82 1 OR . 1 1 17 17 ARG HG2 H . . . 1 1 17 17 ARG HD2 H . . . . . 2.692 1.786 3.598 . . . . . A . 17 ARG HG2 . . A . 17 ARG HD2 . . . 17 . HG1 . . . . . 17 . HD1 . . c30498_6e5j 1 82 2 OR . 1 1 17 17 ARG HG2 H . . . 1 1 17 17 ARG HD3 H . . . . . 2.692 1.786 3.598 . . . . . A . 17 ARG HG2 . . A . 17 ARG HD3 . . . 17 . HG1 . . . . . 17 . HD2 . . c30498_6e5j 1 83 1 . . 1 1 17 17 ARG H H . . . 1 1 17 17 ARG HG2 H . . . . . 3.316 1.941 4.691 . . . . . A . 17 ARG H . . A . 17 ARG HG2 . . . 17 . HN . . . . . 17 . HG1 . . c30498_6e5j 1 84 1 . . 1 1 17 17 ARG HG2 H . . . 1 1 26 26 HIS HD2 H . . . . . 4.316 1.987 6.645 . . . . . A . 17 ARG HG2 . . A . 26 HIS HD2 . . . 17 . HG1 . . . . . 26 . HD2 . . c30498_6e5j 1 85 1 . . 1 1 7 7 LEU H H . . . 1 1 7 7 LEU HB2 H . . . . . 2.580 1.748 3.412 . . . . . A . 7 LEU H . . A . 7 LEU HB2 . . . 7 . HN . . . . . 7 . HB1 . . c30498_6e5j 1 86 1 . . 1 1 8 8 LYS H H . . . 1 1 7 7 LEU HB2 H . . . . . 4.156 1.997 6.315 . . . . . A . 8 LYS H . . A . 7 LEU HB2 . . . 8 . HN . . . . . 7 . HB1 . . c30498_6e5j 1 87 1 OR . 1 1 22 22 ARG H H . . . 1 1 22 22 ARG HG2 H . . . . . 2.725 1.797 3.653 . . . . . A . 22 ARG H . . A . 22 ARG HG2 . . . 22 . HN . . . . . 22 . HG1 . . c30498_6e5j 1 87 2 OR . 1 1 22 22 ARG H H . . . 1 1 22 22 ARG HG3 H . . . . . 2.725 1.797 3.653 . . . . . A . 22 ARG H . . A . 22 ARG HG3 . . . 22 . HN . . . . . 22 . HG2 . . c30498_6e5j 1 88 1 OR . 1 1 22 22 ARG HG2 H . . . 1 1 22 22 ARG HD3 H . . . . . 2.378 1.671 3.085 . . . . . A . 22 ARG HG2 . . A . 22 ARG HD3 . . . 22 . HG1 . . . . . 22 . HD2 . . c30498_6e5j 1 88 2 OR . 1 1 22 22 ARG HG2 H . . . 1 1 22 22 ARG HD2 H . . . . . 2.378 1.671 3.085 . . . . . A . 22 ARG HG2 . . A . 22 ARG HD2 . . . 22 . HG1 . . . . . 22 . HD1 . . c30498_6e5j 1 88 3 OR . 1 1 22 22 ARG HG3 H . . . 1 1 22 22 ARG HD2 H . . . . . 2.378 1.671 3.085 . . . . . A . 22 ARG HG3 . . A . 22 ARG HD2 . . . 22 . HG2 . . . . . 22 . HD1 . . c30498_6e5j 1 88 4 OR . 1 1 22 22 ARG HG3 H . . . 1 1 22 22 ARG HD3 H . . . . . 2.378 1.671 3.085 . . . . . A . 22 ARG HG3 . . A . 22 ARG HD3 . . . 22 . HG2 . . . . . 22 . HD2 . . c30498_6e5j 1 89 1 . . 1 1 18 18 CYS H H . . . 1 1 17 17 ARG HG3 H . . . . . 3.580 1.978 5.182 . . . . . A . 18 CYS H . . A . 17 ARG HG3 . . . 18 . HN . . . . . 17 . HG2 . . c30498_6e5j 1 90 1 OR . 1 1 22 22 ARG HG2 H . . . 1 1 23 23 TYR H H . . . . . 3.239 1.928 4.550 . . . . . A . 22 ARG HG2 . . A . 23 TYR H . . . 22 . HG1 . . . . . 23 . HN . . c30498_6e5j 1 90 2 OR . 1 1 22 22 ARG HG3 H . . . 1 1 23 23 TYR H H . . . . . 3.239 1.928 4.550 . . . . . A . 22 ARG HG3 . . A . 23 TYR H . . . 22 . HG2 . . . . . 23 . HN . . c30498_6e5j 1 91 1 OR . 1 1 17 17 ARG HD2 H . . . 1 1 17 17 ARG HG3 H . . . . . 2.630 1.765 3.495 . . . . . A . 17 ARG HD2 . . A . 17 ARG HG3 . . . 17 . HD1 . . . . . 17 . HG2 . . c30498_6e5j 1 91 2 OR . 1 1 17 17 ARG HD3 H . . . 1 1 17 17 ARG HG3 H . . . . . 2.630 1.765 3.495 . . . . . A . 17 ARG HD3 . . A . 17 ARG HG3 . . . 17 . HD2 . . . . . 17 . HG2 . . c30498_6e5j 1 92 1 . . 1 1 17 17 ARG HE H . . . 1 1 17 17 ARG HG3 H . . . . . 3.455 1.963 4.947 . . . . . A . 17 ARG HE . . A . 17 ARG HG3 . . . 17 . HE . . . . . 17 . HG2 . . c30498_6e5j 1 93 1 OR . 1 1 22 22 ARG HG2 H . . . 1 1 22 22 ARG HE H . . . . . 3.719 1.990 5.448 . . . . . A . 22 ARG HG2 . . A . 22 ARG HE . . . 22 . HG1 . . . . . 22 . HE . . c30498_6e5j 1 93 2 OR . 1 1 22 22 ARG HG3 H . . . 1 1 22 22 ARG HE H . . . . . 3.719 1.990 5.448 . . . . . A . 22 ARG HG3 . . A . 22 ARG HE . . . 22 . HG2 . . . . . 22 . HE . . c30498_6e5j 1 94 1 . . 1 1 17 17 ARG H H . . . 1 1 17 17 ARG HG3 H . . . . . 3.248 1.929 4.567 . . . . . A . 17 ARG H . . A . 17 ARG HG3 . . . 17 . HN . . . . . 17 . HG2 . . c30498_6e5j 1 95 1 . . 1 1 11 11 TYR H H . . . 1 1 10 10 ARG HB3 H . . . . . 3.115 1.902 4.328 . . . . . A . 11 TYR H . . A . 10 ARG HB3 . . . 11 . HN . . . . . 10 . HB2 . . c30498_6e5j 1 96 1 . . 1 1 10 10 ARG H H . . . 1 1 10 10 ARG HB3 H . . . . . 2.640 1.769 3.511 . . . . . A . 10 ARG H . . A . 10 ARG HB3 . . . 10 . HN . . . . . 10 . HB2 . . c30498_6e5j 1 97 1 . . 1 1 10 10 ARG HB3 H . . . 1 1 10 10 ARG HE H . . . . . 3.841 1.997 5.685 . . . . . A . 10 ARG HB3 . . A . 10 ARG HE . . . 10 . HB2 . . . . . 10 . HE . . c30498_6e5j 1 98 1 OR . 1 1 5 5 LYS H H . . . 1 1 5 5 LYS HD2 H . . . . . 3.306 1.940 4.672 . . . . . A . 5 LYS H . . A . 5 LYS HD2 . . . 5 . HN . . . . . 5 . HD1 . . c30498_6e5j 1 98 2 OR . 1 1 5 5 LYS H H . . . 1 1 5 5 LYS HD3 H . . . . . 3.306 1.940 4.672 . . . . . A . 5 LYS H . . A . 5 LYS HD3 . . . 5 . HN . . . . . 5 . HD2 . . c30498_6e5j 1 99 1 OR . 1 1 17 17 ARG HB2 H . . . 1 1 17 17 ARG HD2 H . . . . . 2.760 1.808 3.712 . . . . . A . 17 ARG HB2 . . A . 17 ARG HD2 . . . 17 . HB1 . . . . . 17 . HD1 . . c30498_6e5j 1 99 2 OR . 1 1 17 17 ARG HB2 H . . . 1 1 17 17 ARG HD3 H . . . . . 2.760 1.808 3.712 . . . . . A . 17 ARG HB2 . . A . 17 ARG HD3 . . . 17 . HB1 . . . . . 17 . HD2 . . c30498_6e5j 1 100 1 . . 1 1 17 17 ARG H H . . . 1 1 17 17 ARG HB2 H . . . . . 2.605 1.757 3.453 . . . . . A . 17 ARG H . . A . 17 ARG HB2 . . . 17 . HN . . . . . 17 . HB1 . . c30498_6e5j 1 101 1 . . 1 1 17 17 ARG HB2 H . . . 1 1 24 24 GLU H H . . . . . 3.306 1.940 4.672 . . . . . A . 17 ARG HB2 . . A . 24 GLU H . . . 17 . HB1 . . . . . 24 . HN . . c30498_6e5j 1 102 1 OR . 1 1 11 11 TYR HD2 H . . . 1 1 7 7 LEU HB3 H . . . . . 3.492 1.968 5.016 . . . . . A . 11 TYR HD2 . . A . 7 LEU HB3 . . . 11 . HD2 . . . . . 7 . HB2 . . c30498_6e5j 1 102 2 OR . 1 1 11 11 TYR HD1 H . . . 1 1 7 7 LEU HB3 H . . . . . 3.492 1.968 5.016 . . . . . A . 11 TYR HD1 . . A . 7 LEU HB3 . . . 11 . HD1 . . . . . 7 . HB2 . . c30498_6e5j 1 103 1 . . 1 1 7 7 LEU HB3 H . . . 1 1 7 7 LEU H H . . . . . 2.559 1.741 3.377 . . . . . A . 7 LEU HB3 . . A . 7 LEU H . . . 7 . HB2 . . . . . 7 . HN . . c30498_6e5j 1 104 1 . . 1 1 5 5 LYS H H . . . 1 1 5 5 LYS HB2 H . . . . . 2.587 1.750 3.424 . . . . . A . 5 LYS H . . A . 5 LYS HB2 . . . 5 . HN . . . . . 5 . HB1 . . c30498_6e5j 1 105 1 . . 1 1 5 5 LYS H H . . . 1 1 5 5 LYS HB3 H . . . . . 2.779 1.813 3.745 . . . . . A . 5 LYS H . . A . 5 LYS HB3 . . . 5 . HN . . . . . 5 . HB2 . . c30498_6e5j 1 106 1 . . 1 1 8 8 LYS H H . . . 1 1 8 8 LYS HB3 H . . . . . 2.830 1.829 3.831 . . . . . A . 8 LYS H . . A . 8 LYS HB3 . . . 8 . HN . . . . . 8 . HB2 . . c30498_6e5j 1 107 1 . . 1 1 18 18 CYS H H . . . 1 1 17 17 ARG HB3 H . . . . . 2.880 1.843 3.917 . . . . . A . 18 CYS H . . A . 17 ARG HB3 . . . 18 . HN . . . . . 17 . HB2 . . c30498_6e5j 1 108 1 OR . 1 1 17 17 ARG HD2 H . . . 1 1 17 17 ARG HB3 H . . . . . 2.671 1.779 3.563 . . . . . A . 17 ARG HD2 . . A . 17 ARG HB3 . . . 17 . HD1 . . . . . 17 . HB2 . . c30498_6e5j 1 108 2 OR . 1 1 17 17 ARG HD3 H . . . 1 1 17 17 ARG HB3 H . . . . . 2.671 1.779 3.563 . . . . . A . 17 ARG HD3 . . A . 17 ARG HB3 . . . 17 . HD2 . . . . . 17 . HB2 . . c30498_6e5j 1 109 1 . . 1 1 17 17 ARG H H . . . 1 1 17 17 ARG HB3 H . . . . . 2.690 1.786 3.594 . . . . . A . 17 ARG H . . A . 17 ARG HB3 . . . 17 . HN . . . . . 17 . HB2 . . c30498_6e5j 1 110 1 OR . 1 1 22 22 ARG HE H . . . 1 1 22 22 ARG HB2 H . . . . . 3.020 1.880 4.160 . . . . . A . 22 ARG HE . . A . 22 ARG HB2 . . . 22 . HE . . . . . 22 . HB1 . . c30498_6e5j 1 110 2 OR . 1 1 22 22 ARG HE H . . . 1 1 22 22 ARG HB3 H . . . . . 3.020 1.880 4.160 . . . . . A . 22 ARG HE . . A . 22 ARG HB3 . . . 22 . HE . . . . . 22 . HB2 . . c30498_6e5j 1 111 1 OR . 1 1 23 23 TYR H H . . . 1 1 22 22 ARG HB2 H . . . . . 2.696 1.788 3.604 . . . . . A . 23 TYR H . . A . 22 ARG HB2 . . . 23 . HN . . . . . 22 . HB1 . . c30498_6e5j 1 111 2 OR . 1 1 23 23 TYR H H . . . 1 1 22 22 ARG HB3 H . . . . . 2.696 1.788 3.604 . . . . . A . 23 TYR H . . A . 22 ARG HB3 . . . 23 . HN . . . . . 22 . HB2 . . c30498_6e5j 1 112 1 OR . 1 1 19 19 ASP H H . . . 1 1 22 22 ARG HB2 H . . . . . 3.085 1.895 4.275 . . . . . A . 19 ASP H . . A . 22 ARG HB2 . . . 19 . HN . . . . . 22 . HB1 . . c30498_6e5j 1 112 2 OR . 1 1 19 19 ASP H H . . . 1 1 22 22 ARG HB3 H . . . . . 3.085 1.895 4.275 . . . . . A . 19 ASP H . . A . 22 ARG HB3 . . . 19 . HN . . . . . 22 . HB2 . . c30498_6e5j 1 113 1 OR . 1 1 22 22 ARG H H . . . 1 1 22 22 ARG HB2 H . . . . . 2.259 1.621 2.897 . . . . . A . 22 ARG H . . A . 22 ARG HB2 . . . 22 . HN . . . . . 22 . HB1 . . c30498_6e5j 1 113 2 OR . 1 1 22 22 ARG H H . . . 1 1 22 22 ARG HB3 H . . . . . 2.259 1.621 2.897 . . . . . A . 22 ARG H . . A . 22 ARG HB3 . . . 22 . HN . . . . . 22 . HB2 . . c30498_6e5j 1 114 1 OR . 1 1 22 22 ARG HD3 H . . . 1 1 22 22 ARG HB2 H . . . . . 2.728 1.798 3.658 . . . . . A . 22 ARG HD3 . . A . 22 ARG HB2 . . . 22 . HD2 . . . . . 22 . HB1 . . c30498_6e5j 1 114 2 OR . 1 1 22 22 ARG HD2 H . . . 1 1 22 22 ARG HB2 H . . . . . 2.728 1.798 3.658 . . . . . A . 22 ARG HD2 . . A . 22 ARG HB2 . . . 22 . HD1 . . . . . 22 . HB1 . . c30498_6e5j 1 114 3 OR . 1 1 22 22 ARG HD2 H . . . 1 1 22 22 ARG HB3 H . . . . . 2.728 1.798 3.658 . . . . . A . 22 ARG HD2 . . A . 22 ARG HB3 . . . 22 . HD1 . . . . . 22 . HB2 . . c30498_6e5j 1 114 4 OR . 1 1 22 22 ARG HD3 H . . . 1 1 22 22 ARG HB3 H . . . . . 2.728 1.798 3.658 . . . . . A . 22 ARG HD3 . . A . 22 ARG HB3 . . . 22 . HD2 . . . . . 22 . HB2 . . c30498_6e5j 1 115 1 . . 1 1 24 24 GLU H H . . . 1 1 24 24 GLU HB2 H . . . . . 2.578 1.747 3.409 . . . . . A . 24 GLU H . . A . 24 GLU HB2 . . . 24 . HN . . . . . 24 . HB1 . . c30498_6e5j 1 116 1 . . 1 1 21 21 PRO HG2 H . . . 1 1 21 21 PRO HD3 H . . . . . 2.462 1.704 3.220 . . . . . A . 21 PRO HG2 . . A . 21 PRO HD3 . . . 21 . HG1 . . . . . 21 . HD2 . . c30498_6e5j 1 117 1 . . 1 1 21 21 PRO HG2 H . . . 1 1 21 21 PRO HD2 H . . . . . 2.600 1.755 3.445 . . . . . A . 21 PRO HG2 . . A . 21 PRO HD2 . . . 21 . HG1 . . . . . 21 . HD1 . . c30498_6e5j 1 118 1 . . 1 1 20 20 DPR HB2 H . . . 1 1 20 20 DPR HD2 H . . . . . 2.859 1.837 3.881 . . . . . A . 20 DPR HB2 . . A . 20 DPR HD2 . . . 20 . HB1 . . . . . 20 . HD1 . . c30498_6e5j 1 119 1 . . 1 1 20 20 DPR HB2 H . . . 1 1 20 20 DPR HD3 H . . . . . 3.188 1.917 4.459 . . . . . A . 20 DPR HB2 . . A . 20 DPR HD3 . . . 20 . HB1 . . . . . 20 . HD2 . . c30498_6e5j 1 120 1 . . 1 1 17 17 ARG H H . . . 1 1 24 24 GLU HB3 H . . . . . 2.908 1.851 3.965 . . . . . A . 17 ARG H . . A . 24 GLU HB3 . . . 17 . HN . . . . . 24 . HB2 . . c30498_6e5j 1 121 1 . . 1 1 24 24 GLU H H . . . 1 1 24 24 GLU HB3 H . . . . . 3.034 1.883 4.185 . . . . . A . 24 GLU H . . A . 24 GLU HB3 . . . 24 . HN . . . . . 24 . HB2 . . c30498_6e5j 1 122 1 . . 1 1 26 26 HIS HD2 H . . . 1 1 24 24 GLU HB3 H . . . . . 4.012 2.000 6.024 . . . . . A . 26 HIS HD2 . . A . 24 GLU HB3 . . . 26 . HD2 . . . . . 24 . HB2 . . c30498_6e5j 1 123 1 . . 1 1 20 20 DPR HD3 H . . . 1 1 20 20 DPR HG2 H . . . . . 2.511 1.723 3.299 . . . . . A . 20 DPR HD3 . . A . 20 DPR HG2 . . . 20 . HD2 . . . . . 20 . HG1 . . c30498_6e5j 1 124 1 . . 1 1 20 20 DPR HD2 H . . . 1 1 20 20 DPR HG2 H . . . . . 2.701 1.789 3.613 . . . . . A . 20 DPR HD2 . . A . 20 DPR HG2 . . . 20 . HD1 . . . . . 20 . HG1 . . c30498_6e5j 1 125 1 . . 1 1 21 21 PRO HD2 H . . . 1 1 21 21 PRO HG3 H . . . . . 2.416 1.687 3.145 . . . . . A . 21 PRO HD2 . . A . 21 PRO HG3 . . . 21 . HD1 . . . . . 21 . HG2 . . c30498_6e5j 1 126 1 . . 1 1 21 21 PRO HD3 H . . . 1 1 21 21 PRO HG3 H . . . . . 2.604 1.756 3.452 . . . . . A . 21 PRO HD3 . . A . 21 PRO HG3 . . . 21 . HD2 . . . . . 21 . HG2 . . c30498_6e5j 1 127 1 . . 1 1 22 22 ARG H H . . . 1 1 21 21 PRO HG3 H . . . . . 3.200 1.920 4.480 . . . . . A . 22 ARG H . . A . 21 PRO HG3 . . . 22 . HN . . . . . 21 . HG2 . . c30498_6e5j 1 128 1 OR . 1 1 15 15 GLU H H . . . 1 1 15 15 GLU HB2 H . . . . . 2.518 1.725 3.311 . . . . . A . 15 GLU H . . A . 15 GLU HB2 . . . 15 . HN . . . . . 15 . HB1 . . c30498_6e5j 1 128 2 OR . 1 1 15 15 GLU H H . . . 1 1 15 15 GLU HB3 H . . . . . 2.518 1.725 3.311 . . . . . A . 15 GLU H . . A . 15 GLU HB3 . . . 15 . HN . . . . . 15 . HB2 . . c30498_6e5j 1 129 1 OR . 1 1 26 26 HIS H H . . . 1 1 15 15 GLU HB2 H . . . . . 2.930 1.857 4.003 . . . . . A . 26 HIS H . . A . 15 GLU HB2 . . . 26 . HN . . . . . 15 . HB1 . . c30498_6e5j 1 129 2 OR . 1 1 26 26 HIS H H . . . 1 1 15 15 GLU HB3 H . . . . . 2.930 1.857 4.003 . . . . . A . 26 HIS H . . A . 15 GLU HB3 . . . 26 . HN . . . . . 15 . HB2 . . c30498_6e5j 1 130 1 . . 1 1 20 20 DPR HG3 H . . . 1 1 20 20 DPR HD3 H . . . . . 2.736 1.800 3.672 . . . . . A . 20 DPR HG3 . . A . 20 DPR HD3 . . . 20 . HG2 . . . . . 20 . HD2 . . c30498_6e5j 1 131 1 . . 1 1 20 20 DPR HG3 H . . . 1 1 20 20 DPR HD2 H . . . . . 2.485 1.713 3.257 . . . . . A . 20 DPR HG3 . . A . 20 DPR HD2 . . . 20 . HG2 . . . . . 20 . HD1 . . c30498_6e5j 1 132 1 . . 1 1 16 16 MVA HB H . . . 1 1 8 8 LYS HA H . . . . . 3.618 1.982 5.254 . . . . . A . 16 MVA HB . . A . 8 LYS HA . . . 16 . HB . . . . . 8 . HA . . c30498_6e5j 1 133 1 OR . 1 1 21 21 PRO HD2 H . . . 1 1 21 21 PRO HB2 H . . . . . 2.945 1.861 4.029 . . . . . A . 21 PRO HD2 . . A . 21 PRO HB2 . . . 21 . HD1 . . . . . 21 . HB1 . . c30498_6e5j 1 133 2 OR . 1 1 21 21 PRO HD2 H . . . 1 1 21 21 PRO HB3 H . . . . . 2.945 1.861 4.029 . . . . . A . 21 PRO HD2 . . A . 21 PRO HB3 . . . 21 . HD1 . . . . . 21 . HB2 . . c30498_6e5j 1 134 1 OR . 1 1 22 22 ARG H H . . . 1 1 21 21 PRO HB2 H . . . . . 3.828 1.996 5.660 . . . . . A . 22 ARG H . . A . 21 PRO HB2 . . . 22 . HN . . . . . 21 . HB1 . . c30498_6e5j 1 134 2 OR . 1 1 22 22 ARG H H . . . 1 1 21 21 PRO HB3 H . . . . . 3.828 1.996 5.660 . . . . . A . 22 ARG H . . A . 21 PRO HB3 . . . 22 . HN . . . . . 21 . HB2 . . c30498_6e5j 1 135 1 OR . 1 1 21 21 PRO HD3 H . . . 1 1 21 21 PRO HB2 H . . . . . 3.464 1.964 4.964 . . . . . A . 21 PRO HD3 . . A . 21 PRO HB2 . . . 21 . HD2 . . . . . 21 . HB1 . . c30498_6e5j 1 135 2 OR . 1 1 21 21 PRO HD3 H . . . 1 1 21 21 PRO HB3 H . . . . . 3.464 1.964 4.964 . . . . . A . 21 PRO HD3 . . A . 21 PRO HB3 . . . 21 . HD2 . . . . . 21 . HB2 . . c30498_6e5j 1 136 1 . . 1 1 20 20 DPR HB3 H . . . 1 1 20 20 DPR HD2 H . . . . . 3.322 1.943 4.701 . . . . . A . 20 DPR HB3 . . A . 20 DPR HD2 . . . 20 . HB2 . . . . . 20 . HD1 . . c30498_6e5j 1 137 1 . . 1 1 20 20 DPR HB3 H . . . 1 1 20 20 DPR HD3 H . . . . . 3.184 1.916 4.452 . . . . . A . 20 DPR HB3 . . A . 20 DPR HD3 . . . 20 . HB2 . . . . . 20 . HD2 . . c30498_6e5j 1 138 1 OR . 1 1 24 24 GLU HG2 H . . . 1 1 24 24 GLU H H . . . . . 2.969 1.867 4.071 . . . . . A . 24 GLU HG2 . . A . 24 GLU H . . . 24 . HG1 . . . . . 24 . HN . . c30498_6e5j 1 138 2 OR . 1 1 24 24 GLU HG3 H . . . 1 1 24 24 GLU H H . . . . . 2.969 1.867 4.071 . . . . . A . 24 GLU HG3 . . A . 24 GLU H . . . 24 . HG2 . . . . . 24 . HN . . c30498_6e5j 1 139 1 . . 1 1 20 20 DPR HB3 H . . . 1 1 21 21 PRO HD2 H . . . . . 3.105 1.900 4.310 . . . . . A . 20 DPR HB3 . . A . 21 PRO HD2 . . . 20 . HB2 . . . . . 21 . HD1 . . c30498_6e5j 1 140 1 . . 1 1 20 20 DPR HB3 H . . . 1 1 21 21 PRO HD3 H . . . . . 3.374 1.951 4.797 . . . . . A . 20 DPR HB3 . . A . 21 PRO HD3 . . . 20 . HB2 . . . . . 21 . HD2 . . c30498_6e5j 1 141 1 . . 1 1 15 15 GLU H H . . . 1 1 15 15 GLU HG2 H . . . . . 3.217 1.923 4.511 . . . . . A . 15 GLU H . . A . 15 GLU HG2 . . . 15 . HN . . . . . 15 . HG1 . . c30498_6e5j 1 142 1 . . 1 1 26 26 HIS HB3 H . . . 1 1 15 15 GLU HG2 H . . . . . 3.055 1.889 4.221 . . . . . A . 26 HIS HB3 . . A . 15 GLU HG2 . . . 26 . HB2 . . . . . 15 . HG1 . . c30498_6e5j 1 143 1 . . 1 1 14 14 CYS H H . . . 1 1 14 14 CYS HB2 H . . . . . 2.870 1.840 3.900 . . . . . A . 14 CYS H . . A . 14 CYS HB2 . . . 14 . HN . . . . . 14 . HB1 . . c30498_6e5j 1 144 1 . . 1 1 14 14 CYS HB2 H . . . 1 1 14 14 CYS HB3 H . . . . . 1.849 1.422 2.276 . . . . . A . 14 CYS HB2 . . A . 14 CYS HB3 . . . 14 . HB1 . . . . . 14 . HB2 . . c30498_6e5j 1 145 1 . . 1 1 25 25 MVA HG21 H . . . 1 1 14 14 CYS HB2 H . . . . . 2.482 1.712 3.252 . . . . . A . 25 MVA HG21 . . A . 14 CYS HB2 . . . 25 . HG21 . . . . . 14 . HB1 . . c30498_6e5j 1 146 1 . . 1 1 14 14 CYS HB2 H . . . 1 1 27 27 CYS H H . . . . . 3.902 1.999 5.805 . . . . . A . 14 CYS HB2 . . A . 27 CYS H . . . 14 . HB1 . . . . . 27 . HN . . c30498_6e5j 1 147 1 . . 1 1 19 19 ASP H H . . . 1 1 19 19 ASP HB2 H . . . . . 2.837 1.831 3.843 . . . . . A . 19 ASP H . . A . 19 ASP HB2 . . . 19 . HN . . . . . 19 . HB1 . . c30498_6e5j 1 148 1 . . 1 1 19 19 ASP HB2 H . . . 1 1 20 20 DPR HD3 H . . . . . 3.959 2.000 5.918 . . . . . A . 19 ASP HB2 . . A . 20 DPR HD3 . . . 19 . HB1 . . . . . 20 . HD2 . . c30498_6e5j 1 149 1 . . 1 1 20 20 DPR HD3 H . . . 1 1 19 19 ASP HB3 H . . . . . 4.149 1.998 6.300 . . . . . A . 20 DPR HD3 . . A . 19 ASP HB3 . . . 20 . HD2 . . . . . 19 . HB2 . . c30498_6e5j 1 150 1 OR . 1 1 11 11 TYR HD2 H . . . 1 1 11 11 TYR HB2 H . . . . . 2.354 1.661 3.047 . . . . . A . 11 TYR HD2 . . A . 11 TYR HB2 . . . 11 . HD2 . . . . . 11 . HB1 . . c30498_6e5j 1 150 2 OR . 1 1 11 11 TYR HD1 H . . . 1 1 11 11 TYR HB2 H . . . . . 2.354 1.661 3.047 . . . . . A . 11 TYR HD1 . . A . 11 TYR HB2 . . . 11 . HD1 . . . . . 11 . HB1 . . c30498_6e5j 1 151 1 . . 1 1 11 11 TYR H H . . . 1 1 11 11 TYR HB2 H . . . . . 2.493 1.716 3.270 . . . . . A . 11 TYR H . . A . 11 TYR HB2 . . . 11 . HN . . . . . 11 . HB1 . . c30498_6e5j 1 152 1 . . 1 1 11 11 TYR HB2 H . . . 1 1 11 11 TYR HB3 H . . . . . 1.847 1.421 2.273 . . . . . A . 11 TYR HB2 . . A . 11 TYR HB3 . . . 11 . HB1 . . . . . 11 . HB2 . . c30498_6e5j 1 153 1 OR . 1 1 2 2 ASP HB2 H . . . 1 1 2 2 ASP H H . . . . . 2.884 1.845 3.923 . . . . . A . 2 ASP HB2 . . A . 2 ASP H . . . 2 . HB1 . . . . . 2 . HN . . c30498_6e5j 1 153 2 OR . 1 1 2 2 ASP HB3 H . . . 1 1 2 2 ASP H H . . . . . 2.884 1.845 3.923 . . . . . A . 2 ASP HB3 . . A . 2 ASP H . . . 2 . HB2 . . . . . 2 . HN . . c30498_6e5j 1 154 1 . . 1 1 11 11 TYR HB2 H . . . 1 1 14 14 CYS HB3 H . . . . . 2.964 1.866 4.062 . . . . . A . 11 TYR HB2 . . A . 14 CYS HB3 . . . 11 . HB1 . . . . . 14 . HB2 . . c30498_6e5j 1 155 1 . . 1 1 19 19 ASP H H . . . 1 1 19 19 ASP HB3 H . . . . . 2.626 1.764 3.488 . . . . . A . 19 ASP H . . A . 19 ASP HB3 . . . 19 . HN . . . . . 19 . HB2 . . c30498_6e5j 1 156 1 . . 1 1 22 22 ARG H H . . . 1 1 19 19 ASP HB3 H . . . . . 3.530 1.972 5.088 . . . . . A . 22 ARG H . . A . 19 ASP HB3 . . . 22 . HN . . . . . 19 . HB2 . . c30498_6e5j 1 157 1 OR . 1 1 7 7 LEU MD1 H . . . 1 1 23 23 TYR HB3 H . . . . . 2.989 1.872 4.106 . . . . . A . 7 LEU MD1 . . A . 23 TYR HB3 . . . 7 . HD11 . . . . . 23 . HB2 . . c30498_6e5j 1 157 2 OR . 1 1 7 7 LEU MD1 H . . . 1 1 23 23 TYR HB2 H . . . . . 2.989 1.872 4.106 . . . . . A . 7 LEU MD1 . . A . 23 TYR HB2 . . . 7 . HD11 . . . . . 23 . HB1 . . c30498_6e5j 1 158 1 OR . 1 1 16 16 MVA HG21 H . . . 1 1 23 23 TYR HB3 H . . . . . 2.528 1.729 3.327 . . . . . A . 16 MVA HG21 . . A . 23 TYR HB3 . . . 16 . HG21 . . . . . 23 . HB2 . . c30498_6e5j 1 158 2 OR . 1 1 16 16 MVA HG21 H . . . 1 1 23 23 TYR HB2 H . . . . . 2.528 1.729 3.327 . . . . . A . 16 MVA HG21 . . A . 23 TYR HB2 . . . 16 . HG21 . . . . . 23 . HB1 . . c30498_6e5j 1 159 1 OR . 1 1 23 23 TYR HB2 H . . . 1 1 23 23 TYR HD1 H . . . . . 2.129 1.562 2.696 . . . . . A . 23 TYR HB2 . . A . 23 TYR HD1 . . . 23 . HB1 . . . . . 23 . HD1 . . c30498_6e5j 1 159 2 OR . 1 1 23 23 TYR HB2 H . . . 1 1 23 23 TYR HD2 H . . . . . 2.129 1.562 2.696 . . . . . A . 23 TYR HB2 . . A . 23 TYR HD2 . . . 23 . HB1 . . . . . 23 . HD2 . . c30498_6e5j 1 159 3 OR . 1 1 23 23 TYR HB3 H . . . 1 1 23 23 TYR HD2 H . . . . . 2.129 1.562 2.696 . . . . . A . 23 TYR HB3 . . A . 23 TYR HD2 . . . 23 . HB2 . . . . . 23 . HD2 . . c30498_6e5j 1 159 4 OR . 1 1 23 23 TYR HB3 H . . . 1 1 23 23 TYR HD1 H . . . . . 2.129 1.562 2.696 . . . . . A . 23 TYR HB3 . . A . 23 TYR HD1 . . . 23 . HB2 . . . . . 23 . HD1 . . c30498_6e5j 1 160 1 OR . 1 1 23 23 TYR HB2 H . . . 1 1 23 23 TYR HE2 H . . . . . 2.862 1.838 3.886 . . . . . A . 23 TYR HB2 . . A . 23 TYR HE2 . . . 23 . HB1 . . . . . 23 . HE2 . . c30498_6e5j 1 160 2 OR . 1 1 23 23 TYR HB2 H . . . 1 1 23 23 TYR HE1 H . . . . . 2.862 1.838 3.886 . . . . . A . 23 TYR HB2 . . A . 23 TYR HE1 . . . 23 . HB1 . . . . . 23 . HE1 . . c30498_6e5j 1 160 3 OR . 1 1 23 23 TYR HB3 H . . . 1 1 23 23 TYR HE2 H . . . . . 2.862 1.838 3.886 . . . . . A . 23 TYR HB3 . . A . 23 TYR HE2 . . . 23 . HB2 . . . . . 23 . HE2 . . c30498_6e5j 1 160 4 OR . 1 1 23 23 TYR HB3 H . . . 1 1 23 23 TYR HE1 H . . . . . 2.862 1.838 3.886 . . . . . A . 23 TYR HB3 . . A . 23 TYR HE1 . . . 23 . HB2 . . . . . 23 . HE1 . . c30498_6e5j 1 161 1 OR . 1 1 23 23 TYR HB2 H . . . 1 1 23 23 TYR H H . . . . . 2.474 1.709 3.239 . . . . . A . 23 TYR HB2 . . A . 23 TYR H . . . 23 . HB1 . . . . . 23 . HN . . c30498_6e5j 1 161 2 OR . 1 1 23 23 TYR HB3 H . . . 1 1 23 23 TYR H H . . . . . 2.474 1.709 3.239 . . . . . A . 23 TYR HB3 . . A . 23 TYR H . . . 23 . HB2 . . . . . 23 . HN . . c30498_6e5j 1 162 1 OR . 1 1 23 23 TYR HB2 H . . . 1 1 24 24 GLU H H . . . . . 2.610 1.759 3.461 . . . . . A . 23 TYR HB2 . . A . 24 GLU H . . . 23 . HB1 . . . . . 24 . HN . . c30498_6e5j 1 162 2 OR . 1 1 23 23 TYR HB3 H . . . 1 1 24 24 GLU H H . . . . . 2.610 1.759 3.461 . . . . . A . 23 TYR HB3 . . A . 24 GLU H . . . 23 . HB2 . . . . . 24 . HN . . c30498_6e5j 1 163 1 OR . 1 1 7 7 LEU MD2 H . . . 1 1 23 23 TYR HB3 H . . . . . 3.580 1.978 5.182 . . . . . A . 7 LEU MD2 . . A . 23 TYR HB3 . . . 7 . HD21 . . . . . 23 . HB2 . . c30498_6e5j 1 163 2 OR . 1 1 7 7 LEU MD2 H . . . 1 1 23 23 TYR HB2 H . . . . . 3.580 1.978 5.182 . . . . . A . 7 LEU MD2 . . A . 23 TYR HB2 . . . 7 . HD21 . . . . . 23 . HB1 . . c30498_6e5j 1 164 1 OR . 1 1 23 23 TYR HB3 H . . . 1 1 25 25 MVA HG11 H . . . . . 2.943 1.860 4.026 . . . . . A . 23 TYR HB3 . . A . 25 MVA HG11 . . . 23 . HB2 . . . . . 25 . HG11 . . c30498_6e5j 1 164 2 OR . 1 1 23 23 TYR HB2 H . . . 1 1 25 25 MVA HG11 H . . . . . 2.943 1.860 4.026 . . . . . A . 23 TYR HB2 . . A . 25 MVA HG11 . . . 23 . HB1 . . . . . 25 . HG11 . . c30498_6e5j 1 165 1 . . 1 1 18 18 CYS HB3 H . . . 1 1 4 4 CYS HB2 H . . . . . 2.870 1.840 3.900 . . . . . A . 18 CYS HB3 . . A . 4 CYS HB2 . . . 18 . HB2 . . . . . 4 . HB1 . . c30498_6e5j 1 166 1 . . 1 1 4 4 CYS H H . . . 1 1 4 4 CYS HB2 H . . . . . 2.531 1.730 3.332 . . . . . A . 4 CYS H . . A . 4 CYS HB2 . . . 4 . HN . . . . . 4 . HB1 . . c30498_6e5j 1 167 1 . . 1 1 5 5 LYS H H . . . 1 1 4 4 CYS HB2 H . . . . . 3.226 1.925 4.527 . . . . . A . 5 LYS H . . A . 4 CYS HB2 . . . 5 . HN . . . . . 4 . HB1 . . c30498_6e5j 1 168 1 . . 1 1 4 4 CYS HB2 H . . . 1 1 4 4 CYS HB3 H . . . . . 1.817 1.404 2.230 . . . . . A . 4 CYS HB2 . . A . 4 CYS HB3 . . . 4 . HB1 . . . . . 4 . HB2 . . c30498_6e5j 1 169 1 . . 1 1 18 18 CYS H H . . . 1 1 4 4 CYS HB2 H . . . . . 3.375 1.952 4.798 . . . . . A . 18 CYS H . . A . 4 CYS HB2 . . . 18 . HN . . . . . 4 . HB1 . . c30498_6e5j 1 170 1 OR . 1 1 23 23 TYR HE2 H . . . 1 1 4 4 CYS HB2 H . . . . . 3.477 1.965 4.989 . . . . . A . 23 TYR HE2 . . A . 4 CYS HB2 . . . 23 . HE2 . . . . . 4 . HB1 . . c30498_6e5j 1 170 2 OR . 1 1 23 23 TYR HE1 H . . . 1 1 4 4 CYS HB2 H . . . . . 3.477 1.965 4.989 . . . . . A . 23 TYR HE1 . . A . 4 CYS HB2 . . . 23 . HE1 . . . . . 4 . HB1 . . c30498_6e5j 1 171 1 . . 1 1 27 27 CYS H H . . . 1 1 27 27 CYS HB2 H . . . . . 2.482 1.712 3.252 . . . . . A . 27 CYS H . . A . 27 CYS HB2 . . . 27 . HN . . . . . 27 . HB1 . . c30498_6e5j 1 172 1 . . 1 1 27 27 CYS HB2 H . . . 1 1 27 27 CYS HB3 H . . . . . 1.786 1.387 2.185 . . . . . A . 27 CYS HB2 . . A . 27 CYS HB3 . . . 27 . HB1 . . . . . 27 . HB2 . . c30498_6e5j 1 173 1 . . 1 1 18 18 CYS HB2 H . . . 1 1 20 20 DPR HD2 H . . . . . 3.345 1.947 4.743 . . . . . A . 18 CYS HB2 . . A . 20 DPR HD2 . . . 18 . HB1 . . . . . 20 . HD1 . . c30498_6e5j 1 174 1 . . 1 1 18 18 CYS HB2 H . . . 1 1 18 18 CYS HB3 H . . . . . 1.860 1.427 2.293 . . . . . A . 18 CYS HB2 . . A . 18 CYS HB3 . . . 18 . HB1 . . . . . 18 . HB2 . . c30498_6e5j 1 175 1 . . 1 1 19 19 ASP H H . . . 1 1 18 18 CYS HB2 H . . . . . 3.101 1.899 4.303 . . . . . A . 19 ASP H . . A . 18 CYS HB2 . . . 19 . HN . . . . . 18 . HB1 . . c30498_6e5j 1 176 1 . . 1 1 18 18 CYS H H . . . 1 1 18 18 CYS HB2 H . . . . . 2.524 1.728 3.320 . . . . . A . 18 CYS H . . A . 18 CYS HB2 . . . 18 . HN . . . . . 18 . HB1 . . c30498_6e5j 1 177 1 . . 1 1 10 10 ARG HE H . . . 1 1 10 10 ARG HD2 H . . . . . 3.095 1.898 4.292 . . . . . A . 10 ARG HE . . A . 10 ARG HD2 . . . 10 . HE . . . . . 10 . HD1 . . c30498_6e5j 1 178 1 . . 1 1 10 10 ARG HE H . . . 1 1 10 10 ARG HD3 H . . . . . 3.504 1.969 5.039 . . . . . A . 10 ARG HE . . A . 10 ARG HD3 . . . 10 . HE . . . . . 10 . HD2 . . c30498_6e5j 1 179 1 OR . 1 1 2 2 ASP H H . . . 1 1 1 1 ASN HB2 H . . . . . 3.115 1.902 4.328 . . . . . A . 2 ASP H . . A . 1 ASN HB2 . . . 2 . HN . . . . . 1 . HB1 . . c30498_6e5j 1 179 2 OR . 1 1 2 2 ASP H H . . . 1 1 1 1 ASN HB3 H . . . . . 3.115 1.902 4.328 . . . . . A . 2 ASP H . . A . 1 ASN HB3 . . . 2 . HN . . . . . 1 . HB2 . . c30498_6e5j 1 180 1 . . 1 1 10 10 ARG H H . . . 1 1 10 10 ARG HD3 H . . . . . 4.320 1.987 6.653 . . . . . A . 10 ARG H . . A . 10 ARG HD3 . . . 10 . HN . . . . . 10 . HD2 . . c30498_6e5j 1 181 1 OR . 1 1 1 1 ASN HB2 H . . . 1 1 1 1 ASN HD22 H . . . . . 3.286 1.936 4.636 . . . . . A . 1 ASN HB2 . . A . 1 ASN HD22 . . . 1 . HB1 . . . . . 1 . HD22 . . c30498_6e5j 1 181 2 OR . 1 1 1 1 ASN HB3 H . . . 1 1 1 1 ASN HD22 H . . . . . 3.286 1.936 4.636 . . . . . A . 1 ASN HB3 . . A . 1 ASN HD22 . . . 1 . HB2 . . . . . 1 . HD22 . . c30498_6e5j 1 182 1 OR . 1 1 11 11 TYR HD2 H . . . 1 1 11 11 TYR HB3 H . . . . . 2.394 1.678 3.110 . . . . . A . 11 TYR HD2 . . A . 11 TYR HB3 . . . 11 . HD2 . . . . . 11 . HB2 . . c30498_6e5j 1 182 2 OR . 1 1 11 11 TYR HD1 H . . . 1 1 11 11 TYR HB3 H . . . . . 2.394 1.678 3.110 . . . . . A . 11 TYR HD1 . . A . 11 TYR HB3 . . . 11 . HD1 . . . . . 11 . HB2 . . c30498_6e5j 1 183 1 . . 1 1 11 11 TYR H H . . . 1 1 11 11 TYR HB3 H . . . . . 2.842 1.832 3.852 . . . . . A . 11 TYR H . . A . 11 TYR HB3 . . . 11 . HN . . . . . 11 . HB2 . . c30498_6e5j 1 184 1 . . 1 1 11 11 TYR HB3 H . . . 1 1 14 14 CYS HB3 H . . . . . 2.582 1.749 3.415 . . . . . A . 11 TYR HB3 . . A . 14 CYS HB3 . . . 11 . HB2 . . . . . 14 . HB2 . . c30498_6e5j 1 185 1 . . 1 1 14 14 CYS H H . . . 1 1 11 11 TYR HB3 H . . . . . 3.388 1.953 4.823 . . . . . A . 14 CYS H . . A . 11 TYR HB3 . . . 14 . HN . . . . . 11 . HB2 . . c30498_6e5j 1 186 1 . . 1 1 4 4 CYS H H . . . 1 1 4 4 CYS HB3 H . . . . . 2.695 1.787 3.603 . . . . . A . 4 CYS H . . A . 4 CYS HB3 . . . 4 . HN . . . . . 4 . HB2 . . c30498_6e5j 1 187 1 . . 1 1 5 5 LYS H H . . . 1 1 4 4 CYS HB3 H . . . . . 3.018 1.880 4.156 . . . . . A . 5 LYS H . . A . 4 CYS HB3 . . . 5 . HN . . . . . 4 . HB2 . . c30498_6e5j 1 188 1 . . 1 1 26 26 HIS H H . . . 1 1 26 26 HIS HB2 H . . . . . 2.657 1.774 3.540 . . . . . A . 26 HIS H . . A . 26 HIS HB2 . . . 26 . HN . . . . . 26 . HB1 . . c30498_6e5j 1 189 1 OR . 1 1 17 17 ARG H H . . . 1 1 17 17 ARG HD2 H . . . . . 4.201 1.994 6.408 . . . . . A . 17 ARG H . . A . 17 ARG HD2 . . . 17 . HN . . . . . 17 . HD1 . . c30498_6e5j 1 189 2 OR . 1 1 17 17 ARG H H . . . 1 1 17 17 ARG HD3 H . . . . . 4.201 1.994 6.408 . . . . . A . 17 ARG H . . A . 17 ARG HD3 . . . 17 . HN . . . . . 17 . HD2 . . c30498_6e5j 1 190 1 . . 1 1 26 26 HIS HB2 H . . . 1 1 26 26 HIS HB3 H . . . . . 1.738 1.360 2.116 . . . . . A . 26 HIS HB2 . . A . 26 HIS HB3 . . . 26 . HB1 . . . . . 26 . HB2 . . c30498_6e5j 1 191 1 . . 1 1 26 26 HIS HB2 H . . . 1 1 26 26 HIS HD2 H . . . . . 3.180 1.916 4.444 . . . . . A . 26 HIS HB2 . . A . 26 HIS HD2 . . . 26 . HB1 . . . . . 26 . HD2 . . c30498_6e5j 1 192 1 . . 1 1 26 26 HIS HB2 H . . . 1 1 27 27 CYS H H . . . . . 3.354 1.948 4.760 . . . . . A . 26 HIS HB2 . . A . 27 CYS H . . . 26 . HB1 . . . . . 27 . HN . . c30498_6e5j 1 193 1 OR . 1 1 17 17 ARG HD2 H . . . 1 1 17 17 ARG HE H . . . . . 3.055 1.889 4.221 . . . . . A . 17 ARG HD2 . . A . 17 ARG HE . . . 17 . HD1 . . . . . 17 . HE . . c30498_6e5j 1 193 2 OR . 1 1 17 17 ARG HD3 H . . . 1 1 17 17 ARG HE H . . . . . 3.055 1.889 4.221 . . . . . A . 17 ARG HD3 . . A . 17 ARG HE . . . 17 . HD2 . . . . . 17 . HE . . c30498_6e5j 1 194 1 . . 1 1 27 27 CYS H H . . . 1 1 27 27 CYS HB3 H . . . . . 2.962 1.866 4.058 . . . . . A . 27 CYS H . . A . 27 CYS HB3 . . . 27 . HN . . . . . 27 . HB2 . . c30498_6e5j 1 195 1 OR . 1 1 23 23 TYR HE2 H . . . 1 1 22 22 ARG HD2 H . . . . . 3.598 1.980 5.216 . . . . . A . 23 TYR HE2 . . A . 22 ARG HD2 . . . 23 . HE2 . . . . . 22 . HD1 . . c30498_6e5j 1 195 2 OR . 1 1 23 23 TYR HE1 H . . . 1 1 22 22 ARG HD2 H . . . . . 3.598 1.980 5.216 . . . . . A . 23 TYR HE1 . . A . 22 ARG HD2 . . . 23 . HE1 . . . . . 22 . HD1 . . c30498_6e5j 1 195 3 OR . 1 1 23 23 TYR HE2 H . . . 1 1 22 22 ARG HD3 H . . . . . 3.598 1.980 5.216 . . . . . A . 23 TYR HE2 . . A . 22 ARG HD3 . . . 23 . HE2 . . . . . 22 . HD2 . . c30498_6e5j 1 195 4 OR . 1 1 23 23 TYR HE1 H . . . 1 1 22 22 ARG HD3 H . . . . . 3.598 1.980 5.216 . . . . . A . 23 TYR HE1 . . A . 22 ARG HD3 . . . 23 . HE1 . . . . . 22 . HD2 . . c30498_6e5j 1 196 1 OR . 1 1 23 23 TYR HD1 H . . . 1 1 22 22 ARG HD2 H . . . . . 3.457 1.963 4.951 . . . . . A . 23 TYR HD1 . . A . 22 ARG HD2 . . . 23 . HD1 . . . . . 22 . HD1 . . c30498_6e5j 1 196 2 OR . 1 1 23 23 TYR HD2 H . . . 1 1 22 22 ARG HD2 H . . . . . 3.457 1.963 4.951 . . . . . A . 23 TYR HD2 . . A . 22 ARG HD2 . . . 23 . HD2 . . . . . 22 . HD1 . . c30498_6e5j 1 196 3 OR . 1 1 23 23 TYR HD2 H . . . 1 1 22 22 ARG HD3 H . . . . . 3.457 1.963 4.951 . . . . . A . 23 TYR HD2 . . A . 22 ARG HD3 . . . 23 . HD2 . . . . . 22 . HD2 . . c30498_6e5j 1 196 4 OR . 1 1 23 23 TYR HD1 H . . . 1 1 22 22 ARG HD3 H . . . . . 3.457 1.963 4.951 . . . . . A . 23 TYR HD1 . . A . 22 ARG HD3 . . . 23 . HD1 . . . . . 22 . HD2 . . c30498_6e5j 1 197 1 OR . 1 1 22 22 ARG HD2 H . . . 1 1 22 22 ARG HE H . . . . . 3.165 1.913 4.417 . . . . . A . 22 ARG HD2 . . A . 22 ARG HE . . . 22 . HD1 . . . . . 22 . HE . . c30498_6e5j 1 197 2 OR . 1 1 22 22 ARG HD3 H . . . 1 1 22 22 ARG HE H . . . . . 3.165 1.913 4.417 . . . . . A . 22 ARG HD3 . . A . 22 ARG HE . . . 22 . HD2 . . . . . 22 . HE . . c30498_6e5j 1 198 1 . . 1 1 19 19 ASP H H . . . 1 1 18 18 CYS HB3 H . . . . . 2.934 1.858 4.010 . . . . . A . 19 ASP H . . A . 18 CYS HB3 . . . 19 . HN . . . . . 18 . HB2 . . c30498_6e5j 1 199 1 . . 1 1 26 26 HIS H H . . . 1 1 26 26 HIS HB3 H . . . . . 2.597 1.754 3.440 . . . . . A . 26 HIS H . . A . 26 HIS HB3 . . . 26 . HN . . . . . 26 . HB2 . . c30498_6e5j 1 200 1 . . 1 1 26 26 HIS HB3 H . . . 1 1 26 26 HIS HD2 H . . . . . 3.180 1.916 4.444 . . . . . A . 26 HIS HB3 . . A . 26 HIS HD2 . . . 26 . HB2 . . . . . 26 . HD2 . . c30498_6e5j 1 201 1 . . 1 1 26 26 HIS HB3 H . . . 1 1 27 27 CYS H H . . . . . 3.316 1.941 4.691 . . . . . A . 26 HIS HB3 . . A . 27 CYS H . . . 26 . HB2 . . . . . 27 . HN . . c30498_6e5j 1 202 1 . . 1 1 18 18 CYS H H . . . 1 1 18 18 CYS HB3 H . . . . . 2.668 1.778 3.558 . . . . . A . 18 CYS H . . A . 18 CYS HB3 . . . 18 . HN . . . . . 18 . HB2 . . c30498_6e5j 1 203 1 OR . 1 1 18 18 CYS HB3 H . . . 1 1 23 23 TYR HE2 H . . . . . 4.096 1.999 6.193 . . . . . A . 18 CYS HB3 . . A . 23 TYR HE2 . . . 18 . HB2 . . . . . 23 . HE2 . . c30498_6e5j 1 203 2 OR . 1 1 18 18 CYS HB3 H . . . 1 1 23 23 TYR HE1 H . . . . . 4.096 1.999 6.193 . . . . . A . 18 CYS HB3 . . A . 23 TYR HE1 . . . 18 . HB2 . . . . . 23 . HE1 . . c30498_6e5j 1 204 1 OR . 1 1 18 18 CYS HB3 H . . . 1 1 23 23 TYR HD2 H . . . . . 3.803 1.995 5.611 . . . . . A . 18 CYS HB3 . . A . 23 TYR HD2 . . . 18 . HB2 . . . . . 23 . HD2 . . c30498_6e5j 1 204 2 OR . 1 1 18 18 CYS HB3 H . . . 1 1 23 23 TYR HD1 H . . . . . 3.803 1.995 5.611 . . . . . A . 18 CYS HB3 . . A . 23 TYR HD1 . . . 18 . HB2 . . . . . 23 . HD1 . . c30498_6e5j 1 205 1 OR . 1 1 26 26 HIS HB3 H . . . 1 1 15 15 GLU HB2 H . . . . . 2.011 1.505 2.517 . . . . . A . 26 HIS HB3 . . A . 15 GLU HB2 . . . 26 . HB2 . . . . . 15 . HB1 . . c30498_6e5j 1 205 2 OR . 1 1 26 26 HIS HB3 H . . . 1 1 15 15 GLU HB3 H . . . . . 2.011 1.505 2.517 . . . . . A . 26 HIS HB3 . . A . 15 GLU HB3 . . . 26 . HB2 . . . . . 15 . HB2 . . c30498_6e5j 1 206 1 . . 1 1 16 16 MVA HG21 H . . . 1 1 18 18 CYS HB3 H . . . . . 3.007 1.877 4.137 . . . . . A . 16 MVA HG21 . . A . 18 CYS HB3 . . . 16 . HG21 . . . . . 18 . HB2 . . c30498_6e5j 1 207 1 . . 1 1 15 15 GLU H H . . . 1 1 14 14 CYS HB3 H . . . . . 3.023 1.881 4.165 . . . . . A . 15 GLU H . . A . 14 CYS HB3 . . . 15 . HN . . . . . 14 . HB2 . . c30498_6e5j 1 208 1 . . 1 1 25 25 MVA HG21 H . . . 1 1 14 14 CYS HB3 H . . . . . 2.692 1.786 3.598 . . . . . A . 25 MVA HG21 . . A . 14 CYS HB3 . . . 25 . HG21 . . . . . 14 . HB2 . . c30498_6e5j 1 209 1 . . 1 1 11 11 TYR H H . . . 1 1 14 14 CYS HB3 H . . . . . 4.006 2.000 6.012 . . . . . A . 11 TYR H . . A . 14 CYS HB3 . . . 11 . HN . . . . . 14 . HB2 . . c30498_6e5j 1 210 1 . . 1 1 14 14 CYS H H . . . 1 1 14 14 CYS HB3 H . . . . . 2.430 1.692 3.168 . . . . . A . 14 CYS H . . A . 14 CYS HB3 . . . 14 . HN . . . . . 14 . HB2 . . c30498_6e5j 1 211 1 . . 1 1 16 16 MVA HG11 H . . . 1 1 14 14 CYS HB3 H . . . . . 3.243 1.928 4.558 . . . . . A . 16 MVA HG11 . . A . 14 CYS HB3 . . . 16 . HG11 . . . . . 14 . HB2 . . c30498_6e5j 1 212 1 . . 1 1 26 26 HIS H H . . . 1 1 14 14 CYS HB3 H . . . . . 3.724 1.991 5.457 . . . . . A . 26 HIS H . . A . 14 CYS HB3 . . . 26 . HN . . . . . 14 . HB2 . . c30498_6e5j 1 213 1 OR . 1 1 11 11 TYR HD2 H . . . 1 1 14 14 CYS HB3 H . . . . . 3.606 1.980 5.232 . . . . . A . 11 TYR HD2 . . A . 14 CYS HB3 . . . 11 . HD2 . . . . . 14 . HB2 . . c30498_6e5j 1 213 2 OR . 1 1 11 11 TYR HD1 H . . . 1 1 14 14 CYS HB3 H . . . . . 3.606 1.980 5.232 . . . . . A . 11 TYR HD1 . . A . 14 CYS HB3 . . . 11 . HD1 . . . . . 14 . HB2 . . c30498_6e5j 1 214 1 . . 1 1 19 19 ASP H H . . . 1 1 20 20 DPR HD2 H . . . . . 3.366 1.949 4.783 . . . . . A . 19 ASP H . . A . 20 DPR HD2 . . . 19 . HN . . . . . 20 . HD1 . . c30498_6e5j 1 215 1 . . 1 1 20 20 DPR HD2 H . . . 1 1 20 20 DPR HD3 H . . . . . 1.886 1.441 2.331 . . . . . A . 20 DPR HD2 . . A . 20 DPR HD3 . . . 20 . HD1 . . . . . 20 . HD2 . . c30498_6e5j 1 216 1 . . 1 1 22 22 ARG H H . . . 1 1 21 21 PRO HD2 H . . . . . 3.262 1.932 4.592 . . . . . A . 22 ARG H . . A . 21 PRO HD2 . . . 22 . HN . . . . . 21 . HD1 . . c30498_6e5j 1 217 1 . . 1 1 21 21 PRO HD3 H . . . 1 1 21 21 PRO HD2 H . . . . . 1.854 1.424 2.284 . . . . . A . 21 PRO HD3 . . A . 21 PRO HD2 . . . 21 . HD2 . . . . . 21 . HD1 . . c30498_6e5j 1 218 1 . . 1 1 19 19 ASP H H . . . 1 1 20 20 DPR HD3 H . . . . . 3.886 1.999 5.773 . . . . . A . 19 ASP H . . A . 20 DPR HD3 . . . 19 . HN . . . . . 20 . HD2 . . c30498_6e5j 1 219 1 . . 1 1 14 14 CYS H H . . . 1 1 13 13 GLY HA2 H . . . . . 2.962 1.866 4.058 . . . . . A . 14 CYS H . . A . 13 GLY HA2 . . . 14 . HN . . . . . 13 . HA1 . . c30498_6e5j 1 220 1 . . 1 1 13 13 GLY HA3 H . . . 1 1 13 13 GLY HA2 H . . . . . 1.690 1.333 2.047 . . . . . A . 13 GLY HA3 . . A . 13 GLY HA2 . . . 13 . HA2 . . . . . 13 . HA1 . . c30498_6e5j 1 221 1 . . 1 1 13 13 GLY HA2 H . . . 1 1 13 13 GLY H H . . . . . 2.392 1.677 3.107 . . . . . A . 13 GLY HA2 . . A . 13 GLY H . . . 13 . HA1 . . . . . 13 . HN . . c30498_6e5j 1 222 1 . . 1 1 22 22 ARG H H . . . 1 1 21 21 PRO HD3 H . . . . . 2.793 1.818 3.768 . . . . . A . 22 ARG H . . A . 21 PRO HD3 . . . 22 . HN . . . . . 21 . HD2 . . c30498_6e5j 1 223 1 . . 1 1 14 14 CYS H H . . . 1 1 13 13 GLY HA3 H . . . . . 2.979 1.870 4.088 . . . . . A . 14 CYS H . . A . 13 GLY HA3 . . . 14 . HN . . . . . 13 . HA2 . . c30498_6e5j 1 224 1 . . 1 1 13 13 GLY HA3 H . . . 1 1 13 13 GLY H H . . . . . 2.497 1.717 3.277 . . . . . A . 13 GLY HA3 . . A . 13 GLY H . . . 13 . HA2 . . . . . 13 . HN . . c30498_6e5j 1 225 1 . . 1 1 10 10 ARG HA H . . . 1 1 12 12 ABA H H . . . . . 3.169 1.914 4.424 . . . . . A . 10 ARG HA . . A . 12 AIB H . . . 10 . HA . . . . . 12 . HN . . c30498_6e5j 1 226 1 . . 1 1 8 8 LYS H H . . . 1 1 8 8 LYS HA H . . . . . 2.525 1.728 3.322 . . . . . A . 8 LYS H . . A . 8 LYS HA . . . 8 . HN . . . . . 8 . HA . . c30498_6e5j 1 227 1 . . 1 1 10 10 ARG H H . . . 1 1 7 7 LEU HA H . . . . . 3.430 1.959 4.901 . . . . . A . 10 ARG H . . A . 7 LEU HA . . . 10 . HN . . . . . 7 . HA . . c30498_6e5j 1 228 1 . . 1 1 8 8 LYS H H . . . 1 1 7 7 LEU HA H . . . . . 2.427 1.691 3.163 . . . . . A . 8 LYS H . . A . 7 LEU HA . . . 8 . HN . . . . . 7 . HA . . c30498_6e5j 1 229 1 OR . 1 1 11 11 TYR HD2 H . . . 1 1 7 7 LEU HA H . . . . . 3.286 1.936 4.636 . . . . . A . 11 TYR HD2 . . A . 7 LEU HA . . . 11 . HD2 . . . . . 7 . HA . . c30498_6e5j 1 229 2 OR . 1 1 11 11 TYR HD1 H . . . 1 1 7 7 LEU HA H . . . . . 3.286 1.936 4.636 . . . . . A . 11 TYR HD1 . . A . 7 LEU HA . . . 11 . HD1 . . . . . 7 . HA . . c30498_6e5j 1 230 1 OR . 1 1 4 4 CYS HA H . . . 1 1 23 23 TYR HD2 H . . . . . 4.036 1.999 6.073 . . . . . A . 4 CYS HA . . A . 23 TYR HD2 . . . 4 . HA . . . . . 23 . HD2 . . c30498_6e5j 1 230 2 OR . 1 1 4 4 CYS HA H . . . 1 1 23 23 TYR HD1 H . . . . . 4.036 1.999 6.073 . . . . . A . 4 CYS HA . . A . 23 TYR HD1 . . . 4 . HA . . . . . 23 . HD1 . . c30498_6e5j 1 231 1 . . 1 1 8 8 LYS HB2 H . . . 1 1 4 4 CYS HA H . . . . . 3.176 1.915 4.437 . . . . . A . 8 LYS HB2 . . A . 4 CYS HA . . . 8 . HB1 . . . . . 4 . HA . . c30498_6e5j 1 232 1 . . 1 1 4 4 CYS HA H . . . 1 1 4 4 CYS HB2 H . . . . . 2.579 1.748 3.410 . . . . . A . 4 CYS HA . . A . 4 CYS HB2 . . . 4 . HA . . . . . 4 . HB1 . . c30498_6e5j 1 233 1 . . 1 1 4 4 CYS H H . . . 1 1 4 4 CYS HA H . . . . . 2.740 1.801 3.679 . . . . . A . 4 CYS H . . A . 4 CYS HA . . . 4 . HN . . . . . 4 . HA . . c30498_6e5j 1 234 1 OR . 1 1 4 4 CYS HA H . . . 1 1 23 23 TYR HE2 H . . . . . 3.396 1.955 4.837 . . . . . A . 4 CYS HA . . A . 23 TYR HE2 . . . 4 . HA . . . . . 23 . HE2 . . c30498_6e5j 1 234 2 OR . 1 1 4 4 CYS HA H . . . 1 1 23 23 TYR HE1 H . . . . . 3.396 1.955 4.837 . . . . . A . 4 CYS HA . . A . 23 TYR HE1 . . . 4 . HA . . . . . 23 . HE1 . . c30498_6e5j 1 235 1 . . 1 1 2 2 ASP H H . . . 1 1 1 1 ASN HA H . . . . . 2.783 1.815 3.751 . . . . . A . 2 ASP H . . A . 1 ASN HA . . . 2 . HN . . . . . 1 . HA . . c30498_6e5j 1 236 1 . . 1 1 7 7 LEU MD1 H . . . 1 1 4 4 CYS HA H . . . . . 3.301 1.939 4.663 . . . . . A . 7 LEU MD1 . . A . 4 CYS HA . . . 7 . HD11 . . . . . 4 . HA . . c30498_6e5j 1 237 1 OR . 1 1 23 23 TYR HE2 H . . . 1 1 22 22 ARG HA H . . . . . 3.932 1.999 5.865 . . . . . A . 23 TYR HE2 . . A . 22 ARG HA . . . 23 . HE2 . . . . . 22 . HA . . c30498_6e5j 1 237 2 OR . 1 1 23 23 TYR HE1 H . . . 1 1 22 22 ARG HA H . . . . . 3.932 1.999 5.865 . . . . . A . 23 TYR HE1 . . A . 22 ARG HA . . . 23 . HE1 . . . . . 22 . HA . . c30498_6e5j 1 238 1 OR . 1 1 23 23 TYR HD2 H . . . 1 1 22 22 ARG HA H . . . . . 3.226 1.925 4.527 . . . . . A . 23 TYR HD2 . . A . 22 ARG HA . . . 23 . HD2 . . . . . 22 . HA . . c30498_6e5j 1 238 2 OR . 1 1 23 23 TYR HD1 H . . . 1 1 22 22 ARG HA H . . . . . 3.226 1.925 4.527 . . . . . A . 23 TYR HD1 . . A . 22 ARG HA . . . 23 . HD1 . . . . . 22 . HA . . c30498_6e5j 1 239 1 OR . 1 1 22 22 ARG HG2 H . . . 1 1 22 22 ARG HA H . . . . . 2.655 1.774 3.536 . . . . . A . 22 ARG HG2 . . A . 22 ARG HA . . . 22 . HG1 . . . . . 22 . HA . . c30498_6e5j 1 239 2 OR . 1 1 22 22 ARG HG3 H . . . 1 1 22 22 ARG HA H . . . . . 2.655 1.774 3.536 . . . . . A . 22 ARG HG3 . . A . 22 ARG HA . . . 22 . HG2 . . . . . 22 . HA . . c30498_6e5j 1 240 1 OR . 1 1 22 22 ARG HB2 H . . . 1 1 22 22 ARG HA H . . . . . 2.361 1.664 3.058 . . . . . A . 22 ARG HB2 . . A . 22 ARG HA . . . 22 . HB1 . . . . . 22 . HA . . c30498_6e5j 1 240 2 OR . 1 1 22 22 ARG HB3 H . . . 1 1 22 22 ARG HA H . . . . . 2.361 1.664 3.058 . . . . . A . 22 ARG HB3 . . A . 22 ARG HA . . . 22 . HB2 . . . . . 22 . HA . . c30498_6e5j 1 241 1 . . 1 1 23 23 TYR H H . . . 1 1 22 22 ARG HA H . . . . . 2.180 1.586 2.774 . . . . . A . 23 TYR H . . A . 22 ARG HA . . . 23 . HN . . . . . 22 . HA . . c30498_6e5j 1 242 1 . . 1 1 22 22 ARG H H . . . 1 1 22 22 ARG HA H . . . . . 2.705 1.791 3.619 . . . . . A . 22 ARG H . . A . 22 ARG HA . . . 22 . HN . . . . . 22 . HA . . c30498_6e5j 1 243 1 OR . 1 1 23 23 TYR HB2 H . . . 1 1 22 22 ARG HA H . . . . . 3.509 1.970 5.048 . . . . . A . 23 TYR HB2 . . A . 22 ARG HA . . . 23 . HB1 . . . . . 22 . HA . . c30498_6e5j 1 243 2 OR . 1 1 23 23 TYR HB3 H . . . 1 1 22 22 ARG HA H . . . . . 3.509 1.970 5.048 . . . . . A . 23 TYR HB3 . . A . 22 ARG HA . . . 23 . HB2 . . . . . 22 . HA . . c30498_6e5j 1 244 1 . . 1 1 21 21 PRO HA H . . . 1 1 22 22 ARG H H . . . . . 3.070 1.892 4.248 . . . . . A . 21 PRO HA . . A . 22 ARG H . . . 21 . HA . . . . . 22 . HN . . c30498_6e5j 1 245 1 . . 1 1 21 21 PRO HA H . . . 1 1 21 21 PRO HD3 H . . . . . 3.243 1.928 4.558 . . . . . A . 21 PRO HA . . A . 21 PRO HD3 . . . 21 . HA . . . . . 21 . HD2 . . c30498_6e5j 1 246 1 OR . 1 1 21 21 PRO HA H . . . 1 1 21 21 PRO HB2 H . . . . . 2.328 1.650 3.006 . . . . . A . 21 PRO HA . . A . 21 PRO HB2 . . . 21 . HA . . . . . 21 . HB1 . . c30498_6e5j 1 246 2 OR . 1 1 21 21 PRO HA H . . . 1 1 21 21 PRO HB3 H . . . . . 2.328 1.650 3.006 . . . . . A . 21 PRO HA . . A . 21 PRO HB3 . . . 21 . HA . . . . . 21 . HB2 . . c30498_6e5j 1 247 1 OR . 1 1 21 21 PRO HA H . . . 1 1 23 23 TYR HE2 H . . . . . 3.882 1.998 5.766 . . . . . A . 21 PRO HA . . A . 23 TYR HE2 . . . 21 . HA . . . . . 23 . HE2 . . c30498_6e5j 1 247 2 OR . 1 1 21 21 PRO HA H . . . 1 1 23 23 TYR HE1 H . . . . . 3.882 1.998 5.766 . . . . . A . 21 PRO HA . . A . 23 TYR HE1 . . . 21 . HA . . . . . 23 . HE1 . . c30498_6e5j 1 248 1 . . 1 1 21 21 PRO HA H . . . 1 1 21 21 PRO HD2 H . . . . . 3.370 1.950 4.790 . . . . . A . 21 PRO HA . . A . 21 PRO HD2 . . . 21 . HA . . . . . 21 . HD1 . . c30498_6e5j 1 249 1 . . 1 1 2 2 ASP H H . . . 1 1 2 2 ASP HA H . . . . . 3.230 1.926 4.534 . . . . . A . 2 ASP H . . A . 2 ASP HA . . . 2 . HN . . . . . 2 . HA . . c30498_6e5j 1 250 1 . . 1 1 5 5 LYS H H . . . 1 1 2 2 ASP HA H . . . . . 3.996 2.000 5.992 . . . . . A . 5 LYS H . . A . 2 ASP HA . . . 5 . HN . . . . . 2 . HA . . c30498_6e5j 1 251 1 . . 1 1 17 17 ARG HB3 H . . . 1 1 17 17 ARG HA H . . . . . 2.570 1.744 3.396 . . . . . A . 17 ARG HB3 . . A . 17 ARG HA . . . 17 . HB2 . . . . . 17 . HA . . c30498_6e5j 1 252 1 . . 1 1 17 17 ARG HB2 H . . . 1 1 17 17 ARG HA H . . . . . 2.663 1.777 3.549 . . . . . A . 17 ARG HB2 . . A . 17 ARG HA . . . 17 . HB1 . . . . . 17 . HA . . c30498_6e5j 1 253 1 . . 1 1 18 18 CYS H H . . . 1 1 17 17 ARG HA H . . . . . 2.111 1.554 2.668 . . . . . A . 18 CYS H . . A . 17 ARG HA . . . 18 . HN . . . . . 17 . HA . . c30498_6e5j 1 254 1 . . 1 1 17 17 ARG HG3 H . . . 1 1 17 17 ARG HA H . . . . . 3.200 1.920 4.480 . . . . . A . 17 ARG HG3 . . A . 17 ARG HA . . . 17 . HG2 . . . . . 17 . HA . . c30498_6e5j 1 255 1 . . 1 1 17 17 ARG HG2 H . . . 1 1 17 17 ARG HA H . . . . . 2.948 1.862 4.034 . . . . . A . 17 ARG HG2 . . A . 17 ARG HA . . . 17 . HG1 . . . . . 17 . HA . . c30498_6e5j 1 256 1 . . 1 1 18 18 CYS HB3 H . . . 1 1 17 17 ARG HA H . . . . . 3.628 1.983 5.273 . . . . . A . 18 CYS HB3 . . A . 17 ARG HA . . . 18 . HB2 . . . . . 17 . HA . . c30498_6e5j 1 257 1 . . 1 1 17 17 ARG H H . . . 1 1 17 17 ARG HA H . . . . . 2.776 1.812 3.740 . . . . . A . 17 ARG H . . A . 17 ARG HA . . . 17 . HN . . . . . 17 . HA . . c30498_6e5j 1 258 1 . . 1 1 16 16 MVA HG21 H . . . 1 1 17 17 ARG HA H . . . . . 3.548 1.974 5.122 . . . . . A . 16 MVA HG21 . . A . 17 ARG HA . . . 16 . HG21 . . . . . 17 . HA . . c30498_6e5j 1 259 1 . . 1 1 14 14 CYS H H . . . 1 1 11 11 TYR HA H . . . . . 3.981 2.000 5.962 . . . . . A . 14 CYS H . . A . 11 TYR HA . . . 14 . HN . . . . . 11 . HA . . c30498_6e5j 1 260 1 . . 1 1 13 13 GLY H H . . . 1 1 11 11 TYR HA H . . . . . 3.922 1.999 5.845 . . . . . A . 13 GLY H . . A . 11 TYR HA . . . 13 . HN . . . . . 11 . HA . . c30498_6e5j 1 261 1 OR . 1 1 11 11 TYR HD2 H . . . 1 1 11 11 TYR HA H . . . . . 2.404 1.682 3.126 . . . . . A . 11 TYR HD2 . . A . 11 TYR HA . . . 11 . HD2 . . . . . 11 . HA . . c30498_6e5j 1 261 2 OR . 1 1 11 11 TYR HD1 H . . . 1 1 11 11 TYR HA H . . . . . 2.404 1.682 3.126 . . . . . A . 11 TYR HD1 . . A . 11 TYR HA . . . 11 . HD1 . . . . . 11 . HA . . c30498_6e5j 1 262 1 . . 1 1 12 12 ABA H H . . . 1 1 11 11 TYR HA H . . . . . 2.622 1.763 3.481 . . . . . A . 12 AIB H . . A . 11 TYR HA . . . 12 . HN . . . . . 11 . HA . . c30498_6e5j 1 263 1 . . 1 1 11 11 TYR HB3 H . . . 1 1 11 11 TYR HA H . . . . . 2.469 1.707 3.231 . . . . . A . 11 TYR HB3 . . A . 11 TYR HA . . . 11 . HB2 . . . . . 11 . HA . . c30498_6e5j 1 264 1 . . 1 1 11 11 TYR H H . . . 1 1 11 11 TYR HA H . . . . . 2.665 1.777 3.553 . . . . . A . 11 TYR H . . A . 11 TYR HA . . . 11 . HN . . . . . 11 . HA . . c30498_6e5j 1 265 1 . . 1 1 14 14 CYS HB3 H . . . 1 1 11 11 TYR HA H . . . . . 3.895 1.998 5.792 . . . . . A . 14 CYS HB3 . . A . 11 TYR HA . . . 14 . HB2 . . . . . 11 . HA . . c30498_6e5j 1 266 1 . . 1 1 22 22 ARG H H . . . 1 1 20 20 DPR HA H . . . . . 3.188 1.917 4.459 . . . . . A . 22 ARG H . . A . 20 DPR HA . . . 22 . HN . . . . . 20 . HA . . c30498_6e5j 1 267 1 . . 1 1 21 21 PRO HG3 H . . . 1 1 20 20 DPR HA H . . . . . 3.034 1.883 4.185 . . . . . A . 21 PRO HG3 . . A . 20 DPR HA . . . 21 . HG2 . . . . . 20 . HA . . c30498_6e5j 1 268 1 . . 1 1 20 20 DPR HG2 H . . . 1 1 20 20 DPR HA H . . . . . 2.999 1.875 4.123 . . . . . A . 20 DPR HG2 . . A . 20 DPR HA . . . 20 . HG1 . . . . . 20 . HA . . c30498_6e5j 1 269 1 . . 1 1 21 21 PRO HD2 H . . . 1 1 20 20 DPR HA H . . . . . 2.256 1.620 2.892 . . . . . A . 21 PRO HD2 . . A . 20 DPR HA . . . 21 . HD1 . . . . . 20 . HA . . c30498_6e5j 1 270 1 . . 1 1 21 21 PRO HD3 H . . . 1 1 20 20 DPR HA H . . . . . 2.198 1.594 2.802 . . . . . A . 21 PRO HD3 . . A . 20 DPR HA . . . 21 . HD2 . . . . . 20 . HA . . c30498_6e5j 1 271 1 . . 1 1 20 20 DPR HB3 H . . . 1 1 20 20 DPR HA H . . . . . 2.324 1.649 2.999 . . . . . A . 20 DPR HB3 . . A . 20 DPR HA . . . 20 . HB2 . . . . . 20 . HA . . c30498_6e5j 1 272 1 . . 1 1 20 20 DPR HD3 H . . . 1 1 20 20 DPR HA H . . . . . 3.239 1.928 4.550 . . . . . A . 20 DPR HD3 . . A . 20 DPR HA . . . 20 . HD2 . . . . . 20 . HA . . c30498_6e5j 1 273 1 . . 1 1 20 20 DPR HG3 H . . . 1 1 20 20 DPR HA H . . . . . 3.347 1.947 4.747 . . . . . A . 20 DPR HG3 . . A . 20 DPR HA . . . 20 . HG2 . . . . . 20 . HA . . c30498_6e5j 1 274 1 . . 1 1 20 20 DPR HB2 H . . . 1 1 20 20 DPR HA H . . . . . 2.553 1.738 3.368 . . . . . A . 20 DPR HB2 . . A . 20 DPR HA . . . 20 . HB1 . . . . . 20 . HA . . c30498_6e5j 1 275 1 . . 1 1 20 20 DPR HD2 H . . . 1 1 20 20 DPR HA H . . . . . 3.721 1.990 5.452 . . . . . A . 20 DPR HD2 . . A . 20 DPR HA . . . 20 . HD1 . . . . . 20 . HA . . c30498_6e5j 1 276 1 . . 1 1 14 14 CYS H H . . . 1 1 27 27 CYS HA H . . . . . 4.002 2.000 6.004 . . . . . A . 14 CYS H . . A . 27 CYS HA . . . 14 . HN . . . . . 27 . HA . . c30498_6e5j 1 277 1 . . 1 1 15 15 GLU H H . . . 1 1 27 27 CYS HA H . . . . . 2.945 1.861 4.029 . . . . . A . 15 GLU H . . A . 27 CYS HA . . . 15 . HN . . . . . 27 . HA . . c30498_6e5j 1 278 1 . . 1 1 14 14 CYS HB2 H . . . 1 1 27 27 CYS HA H . . . . . 2.775 1.812 3.738 . . . . . A . 14 CYS HB2 . . A . 27 CYS HA . . . 14 . HB1 . . . . . 27 . HA . . c30498_6e5j 1 279 1 . . 1 1 27 27 CYS HB2 H . . . 1 1 27 27 CYS HA H . . . . . 2.798 1.819 3.777 . . . . . A . 27 CYS HB2 . . A . 27 CYS HA . . . 27 . HB1 . . . . . 27 . HA . . c30498_6e5j 1 280 1 . . 1 1 27 27 CYS HB3 H . . . 1 1 27 27 CYS HA H . . . . . 2.465 1.706 3.224 . . . . . A . 27 CYS HB3 . . A . 27 CYS HA . . . 27 . HB2 . . . . . 27 . HA . . c30498_6e5j 1 281 1 . . 1 1 14 14 CYS HB3 H . . . 1 1 27 27 CYS HA H . . . . . 3.417 1.958 4.876 . . . . . A . 14 CYS HB3 . . A . 27 CYS HA . . . 14 . HB2 . . . . . 27 . HA . . c30498_6e5j 1 282 1 . . 1 1 16 16 MVA HG21 H . . . 1 1 25 25 MVA HA H . . . . . 3.281 1.935 4.627 . . . . . A . 16 MVA HG21 . . A . 25 MVA HA . . . 16 . HG21 . . . . . 25 . HA . . c30498_6e5j 1 283 1 . . 1 1 25 25 MVA HA H . . . 1 1 25 25 MVA HG11 H . . . . . 2.537 1.732 3.342 . . . . . A . 25 MVA HA . . A . 25 MVA HG11 . . . 25 . HA . . . . . 25 . HG11 . . c30498_6e5j 1 284 1 . . 1 1 26 26 HIS H H . . . 1 1 25 25 MVA HA H . . . . . 2.050 1.524 2.576 . . . . . A . 26 HIS H . . A . 25 MVA HA . . . 26 . HN . . . . . 25 . HA . . c30498_6e5j 1 285 1 . . 1 1 17 17 ARG H H . . . 1 1 25 25 MVA HA H . . . . . 2.914 1.852 3.976 . . . . . A . 17 ARG H . . A . 25 MVA HA . . . 17 . HN . . . . . 25 . HA . . c30498_6e5j 1 286 1 . . 1 1 25 25 MVA HG21 H . . . 1 1 25 25 MVA HA H . . . . . 2.344 1.657 3.031 . . . . . A . 25 MVA HG21 . . A . 25 MVA HA . . . 25 . HG21 . . . . . 25 . HA . . c30498_6e5j 1 287 1 . . 1 1 15 15 GLU H H . . . 1 1 25 25 MVA HA H . . . . . 3.226 1.925 4.527 . . . . . A . 15 GLU H . . A . 25 MVA HA . . . 15 . HN . . . . . 25 . HA . . c30498_6e5j 1 288 1 . . 1 1 26 26 HIS HA H . . . 1 1 27 27 CYS HB2 H . . . . . 4.129 1.998 6.260 . . . . . A . 26 HIS HA . . A . 27 CYS HB2 . . . 26 . HA . . . . . 27 . HB1 . . c30498_6e5j 1 289 1 . . 1 1 26 26 HIS HB2 H . . . 1 1 26 26 HIS HA H . . . . . 2.428 1.691 3.165 . . . . . A . 26 HIS HB2 . . A . 26 HIS HA . . . 26 . HB1 . . . . . 26 . HA . . c30498_6e5j 1 290 1 . . 1 1 26 26 HIS HA H . . . 1 1 27 27 CYS H H . . . . . 2.104 1.551 2.657 . . . . . A . 26 HIS HA . . A . 27 CYS H . . . 26 . HA . . . . . 27 . HN . . c30498_6e5j 1 291 1 . . 1 1 16 16 MVA HG21 H . . . 1 1 18 18 CYS HA H . . . . . 3.353 1.948 4.758 . . . . . A . 16 MVA HG21 . . A . 18 CYS HA . . . 16 . HG21 . . . . . 18 . HA . . c30498_6e5j 1 292 1 . . 1 1 18 18 CYS HA H . . . 1 1 24 24 GLU H H . . . . . 2.806 1.822 3.790 . . . . . A . 18 CYS HA . . A . 24 GLU H . . . 18 . HA . . . . . 24 . HN . . c30498_6e5j 1 293 1 . . 1 1 18 18 CYS HB2 H . . . 1 1 18 18 CYS HA H . . . . . 2.642 1.770 3.514 . . . . . A . 18 CYS HB2 . . A . 18 CYS HA . . . 18 . HB1 . . . . . 18 . HA . . c30498_6e5j 1 294 1 OR . 1 1 23 23 TYR HB2 H . . . 1 1 18 18 CYS HA H . . . . . 2.792 1.818 3.766 . . . . . A . 23 TYR HB2 . . A . 18 CYS HA . . . 23 . HB1 . . . . . 18 . HA . . c30498_6e5j 1 294 2 OR . 1 1 23 23 TYR HB3 H . . . 1 1 18 18 CYS HA H . . . . . 2.792 1.818 3.766 . . . . . A . 23 TYR HB3 . . A . 18 CYS HA . . . 23 . HB2 . . . . . 18 . HA . . c30498_6e5j 1 295 1 . . 1 1 18 18 CYS H H . . . 1 1 18 18 CYS HA H . . . . . 2.934 1.858 4.010 . . . . . A . 18 CYS H . . A . 18 CYS HA . . . 18 . HN . . . . . 18 . HA . . c30498_6e5j 1 296 1 OR . 1 1 18 18 CYS HA H . . . 1 1 23 23 TYR HE2 H . . . . . 3.795 1.995 5.595 . . . . . A . 18 CYS HA . . A . 23 TYR HE2 . . . 18 . HA . . . . . 23 . HE2 . . c30498_6e5j 1 296 2 OR . 1 1 18 18 CYS HA H . . . 1 1 23 23 TYR HE1 H . . . . . 3.795 1.995 5.595 . . . . . A . 18 CYS HA . . A . 23 TYR HE1 . . . 18 . HA . . . . . 23 . HE1 . . c30498_6e5j 1 297 1 OR . 1 1 18 18 CYS HA H . . . 1 1 23 23 TYR HD2 H . . . . . 3.143 1.908 4.378 . . . . . A . 18 CYS HA . . A . 23 TYR HD2 . . . 18 . HA . . . . . 23 . HD2 . . c30498_6e5j 1 297 2 OR . 1 1 18 18 CYS HA H . . . 1 1 23 23 TYR HD1 H . . . . . 3.143 1.908 4.378 . . . . . A . 18 CYS HA . . A . 23 TYR HD1 . . . 18 . HA . . . . . 23 . HD1 . . c30498_6e5j 1 298 1 . . 1 1 18 18 CYS HA H . . . 1 1 19 19 ASP HB2 H . . . . . 3.681 1.988 5.374 . . . . . A . 18 CYS HA . . A . 19 ASP HB2 . . . 18 . HA . . . . . 19 . HB1 . . c30498_6e5j 1 299 1 OR . 1 1 15 15 GLU HA H . . . 1 1 15 15 GLU HB2 H . . . . . 2.339 1.655 3.023 . . . . . A . 15 GLU HA . . A . 15 GLU HB2 . . . 15 . HA . . . . . 15 . HB1 . . c30498_6e5j 1 299 2 OR . 1 1 15 15 GLU HA H . . . 1 1 15 15 GLU HB3 H . . . . . 2.339 1.655 3.023 . . . . . A . 15 GLU HA . . A . 15 GLU HB3 . . . 15 . HA . . . . . 15 . HB2 . . c30498_6e5j 1 300 1 . . 1 1 15 15 GLU HA H . . . 1 1 15 15 GLU HG2 H . . . . . 3.165 1.913 4.417 . . . . . A . 15 GLU HA . . A . 15 GLU HG2 . . . 15 . HA . . . . . 15 . HG1 . . c30498_6e5j 1 301 1 . . 1 1 15 15 GLU HG3 H . . . 1 1 15 15 GLU HA H . . . . . 2.665 1.777 3.553 . . . . . A . 15 GLU HG3 . . A . 15 GLU HA . . . 15 . HG2 . . . . . 15 . HA . . c30498_6e5j 1 302 1 . . 1 1 17 17 ARG H H . . . 1 1 16 16 MVA HA H . . . . . 2.052 1.526 2.578 . . . . . A . 17 ARG H . . A . 16 MVA HA . . . 17 . HN . . . . . 16 . HA . . c30498_6e5j 1 303 1 . . 1 1 16 16 MVA HB H . . . 1 1 16 16 MVA HA H . . . . . 2.624 1.763 3.485 . . . . . A . 16 MVA HB . . A . 16 MVA HA . . . 16 . HB . . . . . 16 . HA . . c30498_6e5j 1 304 1 . . 1 1 26 26 HIS H H . . . 1 1 16 16 MVA HA H . . . . . 2.826 1.827 3.825 . . . . . A . 26 HIS H . . A . 16 MVA HA . . . 26 . HN . . . . . 16 . HA . . c30498_6e5j 1 305 1 . . 1 1 16 16 MVA HG21 H . . . 1 1 16 16 MVA HA H . . . . . 2.386 1.675 3.097 . . . . . A . 16 MVA HG21 . . A . 16 MVA HA . . . 16 . HG21 . . . . . 16 . HA . . c30498_6e5j 1 306 1 . . 1 1 16 16 MVA HA H . . . 1 1 25 25 MVA HG11 H . . . . . 2.994 1.874 4.114 . . . . . A . 16 MVA HA . . A . 25 MVA HG11 . . . 16 . HA . . . . . 25 . HG11 . . c30498_6e5j 1 307 1 . . 1 1 23 23 TYR HA H . . . 1 1 24 24 GLU H H . . . . . 2.183 1.587 2.779 . . . . . A . 23 TYR HA . . A . 24 GLU H . . . 23 . HA . . . . . 24 . HN . . c30498_6e5j 1 308 1 OR . 1 1 23 23 TYR HA H . . . 1 1 23 23 TYR HE2 H . . . . . 3.430 1.959 4.901 . . . . . A . 23 TYR HA . . A . 23 TYR HE2 . . . 23 . HA . . . . . 23 . HE2 . . c30498_6e5j 1 308 2 OR . 1 1 23 23 TYR HA H . . . 1 1 23 23 TYR HE1 H . . . . . 3.430 1.959 4.901 . . . . . A . 23 TYR HA . . A . 23 TYR HE1 . . . 23 . HA . . . . . 23 . HE1 . . c30498_6e5j 1 309 1 OR . 1 1 23 23 TYR HA H . . . 1 1 23 23 TYR HD2 H . . . . . 2.779 1.813 3.745 . . . . . A . 23 TYR HA . . A . 23 TYR HD2 . . . 23 . HA . . . . . 23 . HD2 . . c30498_6e5j 1 309 2 OR . 1 1 23 23 TYR HA H . . . 1 1 23 23 TYR HD1 H . . . . . 2.779 1.813 3.745 . . . . . A . 23 TYR HA . . A . 23 TYR HD1 . . . 23 . HA . . . . . 23 . HD1 . . c30498_6e5j 1 310 1 OR . 1 1 23 23 TYR HB2 H . . . 1 1 23 23 TYR HA H . . . . . 2.169 1.581 2.757 . . . . . A . 23 TYR HB2 . . A . 23 TYR HA . . . 23 . HB1 . . . . . 23 . HA . . c30498_6e5j 1 310 2 OR . 1 1 23 23 TYR HB3 H . . . 1 1 23 23 TYR HA H . . . . . 2.169 1.581 2.757 . . . . . A . 23 TYR HB3 . . A . 23 TYR HA . . . 23 . HB2 . . . . . 23 . HA . . c30498_6e5j 1 311 1 . . 1 1 23 23 TYR HA H . . . 1 1 23 23 TYR H H . . . . . 2.914 1.852 3.976 . . . . . A . 23 TYR HA . . A . 23 TYR H . . . 23 . HA . . . . . 23 . HN . . c30498_6e5j 1 312 1 . . 1 1 14 14 CYS HB2 H . . . 1 1 14 14 CYS HA H . . . . . 2.737 1.800 3.674 . . . . . A . 14 CYS HB2 . . A . 14 CYS HA . . . 14 . HB1 . . . . . 14 . HA . . c30498_6e5j 1 313 1 . . 1 1 14 14 CYS HA H . . . 1 1 14 14 CYS HB3 H . . . . . 2.888 1.846 3.930 . . . . . A . 14 CYS HA . . A . 14 CYS HB3 . . . 14 . HA . . . . . 14 . HB2 . . c30498_6e5j 1 314 1 . . 1 1 14 14 CYS H H . . . 1 1 14 14 CYS HA H . . . . . 2.762 1.809 3.715 . . . . . A . 14 CYS H . . A . 14 CYS HA . . . 14 . HN . . . . . 14 . HA . . c30498_6e5j 1 315 1 . . 1 1 15 15 GLU H H . . . 1 1 14 14 CYS HA H . . . . . 2.278 1.629 2.927 . . . . . A . 15 GLU H . . A . 14 CYS HA . . . 15 . HN . . . . . 14 . HA . . c30498_6e5j 1 316 1 . . 1 1 19 19 ASP HA H . . . 1 1 19 19 ASP HB2 H . . . . . 2.641 1.769 3.513 . . . . . A . 19 ASP HA . . A . 19 ASP HB2 . . . 19 . HA . . . . . 19 . HB1 . . c30498_6e5j 1 317 1 . . 1 1 19 19 ASP HA H . . . 1 1 20 20 DPR HD3 H . . . . . 2.186 1.589 2.783 . . . . . A . 19 ASP HA . . A . 20 DPR HD3 . . . 19 . HA . . . . . 20 . HD2 . . c30498_6e5j 1 318 1 . . 1 1 19 19 ASP HA H . . . 1 1 20 20 DPR HD2 H . . . . . 2.436 1.694 3.178 . . . . . A . 19 ASP HA . . A . 20 DPR HD2 . . . 19 . HA . . . . . 20 . HD1 . . c30498_6e5j 1 319 1 . . 1 1 24 24 GLU HA H . . . 1 1 24 24 GLU HB2 H . . . . . 2.582 1.748 3.416 . . . . . A . 24 GLU HA . . A . 24 GLU HB2 . . . 24 . HA . . . . . 24 . HB1 . . c30498_6e5j 1 320 1 OR . 1 1 24 24 GLU HG2 H . . . 1 1 24 24 GLU HA H . . . . . 2.632 1.766 3.498 . . . . . A . 24 GLU HG2 . . A . 24 GLU HA . . . 24 . HG1 . . . . . 24 . HA . . c30498_6e5j 1 320 2 OR . 1 1 24 24 GLU HG3 H . . . 1 1 24 24 GLU HA H . . . . . 2.632 1.766 3.498 . . . . . A . 24 GLU HG3 . . A . 24 GLU HA . . . 24 . HG2 . . . . . 24 . HA . . c30498_6e5j 1 321 1 . . 1 1 24 24 GLU HA H . . . 1 1 24 24 GLU HB3 H . . . . . 2.534 1.732 3.336 . . . . . A . 24 GLU HA . . A . 24 GLU HB3 . . . 24 . HA . . . . . 24 . HB2 . . c30498_6e5j 1 322 1 . . 1 1 24 24 GLU HA H . . . 1 1 24 24 GLU H H . . . . . 2.633 1.766 3.500 . . . . . A . 24 GLU HA . . A . 24 GLU H . . . 24 . HA . . . . . 24 . HN . . c30498_6e5j 1 323 1 . . 1 1 24 24 GLU HA H . . . 1 1 25 25 MVA HG11 H . . . . . 3.525 1.972 5.078 . . . . . A . 24 GLU HA . . A . 25 MVA HG11 . . . 24 . HA . . . . . 25 . HG11 . . c30498_6e5j 1 324 1 OR . 1 1 11 11 TYR HE2 H . . . 1 1 11 11 TYR HD2 H . . . . . 2.036 1.518 2.554 . . . . . A . 11 TYR HE2 . . A . 11 TYR HD2 . . . 11 . HE2 . . . . . 11 . HD2 . . c30498_6e5j 1 324 2 OR . 1 1 11 11 TYR HE2 H . . . 1 1 11 11 TYR HD1 H . . . . . 2.036 1.518 2.554 . . . . . A . 11 TYR HE2 . . A . 11 TYR HD1 . . . 11 . HE2 . . . . . 11 . HD1 . . c30498_6e5j 1 324 3 OR . 1 1 11 11 TYR HE1 H . . . 1 1 11 11 TYR HD2 H . . . . . 2.036 1.518 2.554 . . . . . A . 11 TYR HE1 . . A . 11 TYR HD2 . . . 11 . HE1 . . . . . 11 . HD2 . . c30498_6e5j 1 324 4 OR . 1 1 11 11 TYR HE1 H . . . 1 1 11 11 TYR HD1 H . . . . . 2.036 1.518 2.554 . . . . . A . 11 TYR HE1 . . A . 11 TYR HD1 . . . 11 . HE1 . . . . . 11 . HD1 . . c30498_6e5j 1 325 1 OR . 1 1 23 23 TYR HD1 H . . . 1 1 23 23 TYR HE2 H . . . . . 1.854 1.424 2.284 . . . . . A . 23 TYR HD1 . . A . 23 TYR HE2 . . . 23 . HD1 . . . . . 23 . HE2 . . c30498_6e5j 1 325 2 OR . 1 1 23 23 TYR HD2 H . . . 1 1 23 23 TYR HE2 H . . . . . 1.854 1.424 2.284 . . . . . A . 23 TYR HD2 . . A . 23 TYR HE2 . . . 23 . HD2 . . . . . 23 . HE2 . . c30498_6e5j 1 325 3 OR . 1 1 23 23 TYR HD2 H . . . 1 1 23 23 TYR HE1 H . . . . . 1.854 1.424 2.284 . . . . . A . 23 TYR HD2 . . A . 23 TYR HE1 . . . 23 . HD2 . . . . . 23 . HE1 . . c30498_6e5j 1 325 4 OR . 1 1 23 23 TYR HD1 H . . . 1 1 23 23 TYR HE1 H . . . . . 1.854 1.424 2.284 . . . . . A . 23 TYR HD1 . . A . 23 TYR HE1 . . . 23 . HD1 . . . . . 23 . HE1 . . c30498_6e5j 1 326 1 OR . 1 1 4 4 CYS H H . . . 1 1 23 23 TYR HE2 H . . . . . 3.944 1.999 5.889 . . . . . A . 4 CYS H . . A . 23 TYR HE2 . . . 4 . HN . . . . . 23 . HE2 . . c30498_6e5j 1 326 2 OR . 1 1 4 4 CYS H H . . . 1 1 23 23 TYR HE1 H . . . . . 3.944 1.999 5.889 . . . . . A . 4 CYS H . . A . 23 TYR HE1 . . . 4 . HN . . . . . 23 . HE1 . . c30498_6e5j 1 327 1 OR . 1 1 23 23 TYR HD2 H . . . 1 1 24 24 GLU H H . . . . . 3.311 1.940 4.682 . . . . . A . 23 TYR HD2 . . A . 24 GLU H . . . 23 . HD2 . . . . . 24 . HN . . c30498_6e5j 1 327 2 OR . 1 1 23 23 TYR HD1 H . . . 1 1 24 24 GLU H H . . . . . 3.311 1.940 4.682 . . . . . A . 23 TYR HD1 . . A . 24 GLU H . . . 23 . HD1 . . . . . 24 . HN . . c30498_6e5j 1 328 1 OR . 1 1 23 23 TYR HD2 H . . . 1 1 23 23 TYR H H . . . . . 2.872 1.841 3.903 . . . . . A . 23 TYR HD2 . . A . 23 TYR H . . . 23 . HD2 . . . . . 23 . HN . . c30498_6e5j 1 328 2 OR . 1 1 23 23 TYR HD1 H . . . 1 1 23 23 TYR H H . . . . . 2.872 1.841 3.903 . . . . . A . 23 TYR HD1 . . A . 23 TYR H . . . 23 . HD1 . . . . . 23 . HN . . c30498_6e5j 1 329 1 OR . 1 1 19 19 ASP H H . . . 1 1 23 23 TYR HD2 H . . . . . 3.761 1.993 5.529 . . . . . A . 19 ASP H . . A . 23 TYR HD2 . . . 19 . HN . . . . . 23 . HD2 . . c30498_6e5j 1 329 2 OR . 1 1 19 19 ASP H H . . . 1 1 23 23 TYR HD1 H . . . . . 3.761 1.993 5.529 . . . . . A . 19 ASP H . . A . 23 TYR HD1 . . . 19 . HN . . . . . 23 . HD1 . . c30498_6e5j 1 330 1 OR . 1 1 8 8 LYS H H . . . 1 1 11 11 TYR HD2 H . . . . . 3.831 1.997 5.665 . . . . . A . 8 LYS H . . A . 11 TYR HD2 . . . 8 . HN . . . . . 11 . HD2 . . c30498_6e5j 1 330 2 OR . 1 1 8 8 LYS H H . . . 1 1 11 11 TYR HD1 H . . . . . 3.831 1.997 5.665 . . . . . A . 8 LYS H . . A . 11 TYR HD1 . . . 8 . HN . . . . . 11 . HD1 . . c30498_6e5j 1 331 1 . . 1 1 1 1 ASN HD21 H . . . 1 1 1 1 ASN HD22 H . . . . . 1.837 1.415 2.259 . . . . . A . 1 ASN HD21 . . A . 1 ASN HD22 . . . 1 . HD21 . . . . . 1 . HD22 . . c30498_6e5j 1 332 1 OR . 1 1 11 11 TYR HD2 H . . . 1 1 12 12 ABA H H . . . . . 3.977 2.000 5.954 . . . . . A . 11 TYR HD2 . . A . 12 AIB H . . . 11 . HD2 . . . . . 12 . HN . . c30498_6e5j 1 332 2 OR . 1 1 11 11 TYR HD1 H . . . 1 1 12 12 ABA H H . . . . . 3.977 2.000 5.954 . . . . . A . 11 TYR HD1 . . A . 12 AIB H . . . 11 . HD1 . . . . . 12 . HN . . c30498_6e5j 1 333 1 OR . 1 1 10 10 ARG H H . . . 1 1 11 11 TYR HD2 H . . . . . 4.387 1.981 6.793 . . . . . A . 10 ARG H . . A . 11 TYR HD2 . . . 10 . HN . . . . . 11 . HD2 . . c30498_6e5j 1 333 2 OR . 1 1 10 10 ARG H H . . . 1 1 11 11 TYR HD1 H . . . . . 4.387 1.981 6.793 . . . . . A . 10 ARG H . . A . 11 TYR HD1 . . . 10 . HN . . . . . 11 . HD1 . . c30498_6e5j 1 334 1 OR . 1 1 11 11 TYR H H . . . 1 1 11 11 TYR HD2 H . . . . . 2.971 1.867 4.075 . . . . . A . 11 TYR H . . A . 11 TYR HD2 . . . 11 . HN . . . . . 11 . HD2 . . c30498_6e5j 1 334 2 OR . 1 1 11 11 TYR H H . . . 1 1 11 11 TYR HD1 H . . . . . 2.971 1.867 4.075 . . . . . A . 11 TYR H . . A . 11 TYR HD1 . . . 11 . HN . . . . . 11 . HD1 . . c30498_6e5j 1 335 1 . . 1 1 26 26 HIS H H . . . 1 1 26 26 HIS HD2 H . . . . . 4.300 1.989 6.611 . . . . . A . 26 HIS H . . A . 26 HIS HD2 . . . 26 . HN . . . . . 26 . HD2 . . c30498_6e5j 1 336 1 . . 1 1 26 26 HIS HD2 H . . . 1 1 26 26 HIS HE1 H . . . . . 3.652 1.985 5.319 . . . . . A . 26 HIS HD2 . . A . 26 HIS HE1 . . . 26 . HD2 . . . . . 26 . HE1 . . c30498_6e5j 1 337 1 . . 1 1 19 19 ASP H H . . . 1 1 22 22 ARG H H . . . . . 3.154 1.911 4.397 . . . . . A . 19 ASP H . . A . 22 ARG H . . . 19 . HN . . . . . 22 . HN . . c30498_6e5j 1 338 1 . . 1 1 22 22 ARG H H . . . 1 1 23 23 TYR H H . . . . . 3.966 2.000 5.932 . . . . . A . 22 ARG H . . A . 23 TYR H . . . 22 . HN . . . . . 23 . HN . . c30498_6e5j 1 339 1 . . 1 1 11 11 TYR H H . . . 1 1 12 12 ABA H H . . . . . 2.882 1.844 3.920 . . . . . A . 11 TYR H . . A . 12 AIB H . . . 11 . HN . . . . . 12 . HN . . c30498_6e5j 1 340 1 . . 1 1 12 12 ABA H H . . . 1 1 13 13 GLY H H . . . . . 3.257 1.931 4.583 . . . . . A . 12 AIB H . . A . 13 GLY H . . . 12 . HN . . . . . 13 . HN . . c30498_6e5j 1 341 1 . . 1 1 8 8 LYS H H . . . 1 1 7 7 LEU HG H . . . . . 3.356 1.948 4.764 . . . . . A . 8 LYS H . . A . 7 LEU HG . . . 8 . HN . . . . . 7 . HG . . c30498_6e5j 1 342 1 . . 1 1 8 8 LYS H H . . . 1 1 7 7 LEU H H . . . . . 2.896 1.848 3.944 . . . . . A . 8 LYS H . . A . 7 LEU H . . . 8 . HN . . . . . 7 . HN . . c30498_6e5j 1 343 1 . . 1 1 10 10 ARG H H . . . 1 1 9 9 B3K HB H . . . . . 3.338 1.945 4.731 . . . . . A . 10 ARG H . . A . 9 B3K HB . . . 10 . HN . . . . . 9 . HB . . c30498_6e5j 1 344 1 . . 1 1 10 10 ARG H H . . . 1 1 10 10 ARG HA H . . . . . 2.664 1.777 3.551 . . . . . A . 10 ARG H . . A . 10 ARG HA . . . 10 . HN . . . . . 10 . HA . . c30498_6e5j 1 345 1 . . 1 1 11 11 TYR H H . . . 1 1 10 10 ARG H H . . . . . 2.713 1.793 3.633 . . . . . A . 11 TYR H . . A . 10 ARG H . . . 11 . HN . . . . . 10 . HN . . c30498_6e5j 1 346 1 . . 1 1 14 14 CYS H H . . . 1 1 13 13 GLY H H . . . . . 2.693 1.786 3.600 . . . . . A . 14 CYS H . . A . 13 GLY H . . . 14 . HN . . . . . 13 . HN . . c30498_6e5j 1 347 1 . . 1 1 15 15 GLU H H . . . 1 1 14 14 CYS H H . . . . . 4.188 1.996 6.380 . . . . . A . 15 GLU H . . A . 14 CYS H . . . 15 . HN . . . . . 14 . HN . . c30498_6e5j 1 348 1 . . 1 1 11 11 TYR H H . . . 1 1 7 7 LEU HA H . . . . . 3.694 1.988 5.400 . . . . . A . 11 TYR H . . A . 7 LEU HA . . . 11 . HN . . . . . 7 . HA . . c30498_6e5j 1 349 1 . . 1 1 11 11 TYR H H . . . 1 1 10 10 ARG HA H . . . . . 2.487 1.714 3.260 . . . . . A . 11 TYR H . . A . 10 ARG HA . . . 11 . HN . . . . . 10 . HA . . c30498_6e5j 1 350 1 . . 1 1 11 11 TYR H H . . . 1 1 9 9 B3K HB H . . . . . 3.463 1.964 4.962 . . . . . A . 11 TYR H . . A . 9 B3K HB . . . 11 . HN . . . . . 9 . HB . . c30498_6e5j 1 351 1 . . 1 1 3 3 B3K HB H . . . 1 1 4 4 CYS H H . . . . . 3.648 1.985 5.311 . . . . . A . 3 B3K HB . . A . 4 CYS H . . . 3 . HB . . . . . 4 . HN . . c30498_6e5j 1 352 1 . . 1 1 24 24 GLU H H . . . 1 1 23 23 TYR H H . . . . . 3.675 1.987 5.363 . . . . . A . 24 GLU H . . A . 23 TYR H . . . 24 . HN . . . . . 23 . HN . . c30498_6e5j 1 353 1 . . 1 1 17 17 ARG H H . . . 1 1 24 24 GLU H H . . . . . 2.927 1.856 3.998 . . . . . A . 17 ARG H . . A . 24 GLU H . . . 17 . HN . . . . . 24 . HN . . c30498_6e5j 1 354 1 . . 1 1 18 18 CYS H H . . . 1 1 17 17 ARG H H . . . . . 3.322 1.943 4.701 . . . . . A . 18 CYS H . . A . 17 ARG H . . . 18 . HN . . . . . 17 . HN . . c30498_6e5j 1 355 1 . . 1 1 17 17 ARG H H . . . 1 1 26 26 HIS H H . . . . . 3.662 1.985 5.339 . . . . . A . 17 ARG H . . A . 26 HIS H . . . 17 . HN . . . . . 26 . HN . . c30498_6e5j 1 356 1 . . 1 1 11 11 TYR H H . . . 1 1 13 13 GLY H H . . . . . 3.409 1.956 4.862 . . . . . A . 11 TYR H . . A . 13 GLY H . . . 11 . HN . . . . . 13 . HN . . c30498_6e5j 1 357 1 . . 1 1 19 19 ASP H H . . . 1 1 23 23 TYR HA H . . . . . 3.531 1.973 5.089 . . . . . A . 19 ASP H . . A . 23 TYR HA . . . 19 . HN . . . . . 23 . HA . . c30498_6e5j 1 358 1 . . 1 1 19 19 ASP H H . . . 1 1 24 24 GLU H H . . . . . 3.686 1.988 5.384 . . . . . A . 19 ASP H . . A . 24 GLU H . . . 19 . HN . . . . . 24 . HN . . c30498_6e5j 1 359 1 . . 1 1 19 19 ASP H H . . . 1 1 18 18 CYS HA H . . . . . 3.122 1.904 4.340 . . . . . A . 19 ASP H . . A . 18 CYS HA . . . 19 . HN . . . . . 18 . HA . . c30498_6e5j 1 360 1 . . 1 1 26 26 HIS H H . . . 1 1 27 27 CYS H H . . . . . 3.509 1.970 5.048 . . . . . A . 26 HIS H . . A . 27 CYS H . . . 26 . HN . . . . . 27 . HN . . c30498_6e5j 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: ambig.tbl' 1 1 1 30 c30498_6e5j 1 2 '# Restraints file 2: unambig.tbl' 195 1 195 32 c30498_6e5j 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=15, id=12, vol=1.060000e+07' 2 127 2 171 c30498_6e5j 1 2 'spec=NOESY, no=16, id=13, vol=6.720000e+06' 11 127 11 171 c30498_6e5j 1 3 'spec=NOESY, no=18, id=15, vol=2.270000e+08' 17 127 17 171 c30498_6e5j 1 4 'spec=NOESY, no=20, id=17, vol=6.990000e+06' 26 127 26 171 c30498_6e5j 1 5 'spec=NOESY, no=23, id=20, vol=1.300000e+07' 32 127 32 171 c30498_6e5j 1 6 'spec=NOESY, no=25, id=22, vol=3.570000e+06' 38 127 38 171 c30498_6e5j 1 7 'spec=NOESY, no=31, id=28, vol=7.960000e+06' 44 127 44 171 c30498_6e5j 1 8 'spec=NOESY, no=38, id=35, vol=1.160000e+08' 50 127 50 171 c30498_6e5j 1 9 'spec=NOESY, no=59, id=56, vol=3.590000e+06' 56 127 56 171 c30498_6e5j 1 10 'spec=NOESY, no=69, id=66, vol=1.050000e+07' 66 127 66 171 c30498_6e5j 1 11 'spec=NOESY, no=77, id=74, vol=2.110000e+07' 72 127 72 171 c30498_6e5j 1 12 'spec=NOESY, no=80, id=77, vol=4.980000e+06' 75 127 75 171 c30498_6e5j 1 13 'spec=NOESY, no=96, id=93, vol=6.300000e+06' 77 127 77 171 c30498_6e5j 1 14 'spec=NOESY, no=107, id=104, vol=1.160000e+07' 81 127 81 173 c30498_6e5j 1 15 'spec=NOESY, no=109, id=106, vol=6.430000e+07' 83 127 83 173 c30498_6e5j 1 16 'spec=NOESY, no=148, id=145, vol=1.020000e+07' 85 127 85 173 c30498_6e5j 1 17 'spec=NOESY, no=160, id=157, vol=3.670000e+06' 87 127 87 173 c30498_6e5j 1 18 'spec=NOESY, no=169, id=166, vol=1.140000e+07' 90 127 90 173 c30498_6e5j 1 19 'spec=NOESY, no=171, id=168, vol=6.800000e+07' 96 127 96 173 c30498_6e5j 1 20 'spec=NOESY, no=175, id=172, vol=9.960000e+07' 100 127 100 173 c30498_6e5j 1 21 'spec=NOESY, no=181, id=178, vol=1.110000e+07' 104 127 104 173 c30498_6e5j 1 22 'spec=NOESY, no=183, id=180, vol=6.060000e+07' 106 127 106 173 c30498_6e5j 1 23 'spec=NOESY, no=189, id=186, vol=2.570000e+07' 108 127 108 173 c30498_6e5j 1 24 'spec=NOESY, no=191, id=188, vol=8.080000e+06' 114 127 114 173 c30498_6e5j 1 25 'spec=NOESY, no=195, id=192, vol=3.890000e+06' 116 127 116 173 c30498_6e5j 1 26 'spec=NOESY, no=197, id=194, vol=1.130000e+07' 119 127 119 173 c30498_6e5j 1 27 'spec=NOESY, no=226, id=223, vol=3.330000e+06' 122 127 122 173 c30498_6e5j 1 28 'spec=NOESY, no=237, id=234, vol=4.220000e+07' 125 127 125 173 c30498_6e5j 1 29 'spec=NOESY, no=242, id=239, vol=1.200000e+07' 131 127 131 173 c30498_6e5j 1 30 'spec=NOESY, no=272, id=269, vol=6.470000e+06' 134 127 134 173 c30498_6e5j 1 31 'spec=NOESY, no=274, id=271, vol=1.240000e+07' 136 127 136 173 c30498_6e5j 1 32 'spec=NOESY, no=297, id=293, vol=1.700000e+07' 138 127 138 173 c30498_6e5j 1 33 'spec=NOESY, no=302, id=298, vol=2.620000e+07' 142 127 142 173 c30498_6e5j 1 34 'spec=NOESY, no=310, id=306, vol=8.580000e+07' 144 127 144 173 c30498_6e5j 1 35 'spec=NOESY, no=325, id=321, vol=1.260000e+07' 146 127 146 173 c30498_6e5j 1 36 'spec=NOESY, no=377, id=372, vol=3.360000e+07' 148 127 148 173 c30498_6e5j 1 37 'spec=NOESY, no=380, id=375, vol=2.990000e+07' 150 127 150 173 c30498_6e5j 1 38 'spec=NOESY, no=384, id=379, vol=8.840000e+06' 156 127 156 173 c30498_6e5j 1 39 'spec=NOESY, no=385, id=380, vol=1.650000e+08' 158 127 158 173 c30498_6e5j 1 40 'spec=NOESY, no=395, id=390, vol=3.670000e+07' 160 127 160 173 c30498_6e5j 1 41 'spec=NOESY, no=401, id=396, vol=8.670000e+07' 162 127 162 173 c30498_6e5j 1 42 'spec=NOESY, no=408, id=403, vol=2.150000e+07' 168 127 168 173 c30498_6e5j 1 43 'spec=NOESY, no=412, id=407, vol=4.220000e+06' 170 127 170 173 c30498_6e5j 1 44 'spec=NOESY, no=416, id=411, vol=4.540000e+07' 172 127 172 173 c30498_6e5j 1 45 'spec=NOESY, no=421, id=416, vol=8.700000e+06' 174 127 174 173 c30498_6e5j 1 46 'spec=NOESY, no=426, id=421, vol=6.610000e+06' 176 127 176 173 c30498_6e5j 1 47 'spec=NOESY, no=430, id=425, vol=4.940000e+06' 180 127 180 173 c30498_6e5j 1 48 'spec=NOESY, no=451, id=446, vol=1.040000e+07' 184 127 184 173 c30498_6e5j 1 49 'spec=NOESY, no=457, id=452, vol=6.560000e+06' 186 127 186 173 c30498_6e5j 1 50 'spec=NOESY, no=465, id=460, vol=4.020000e+07' 191 127 191 173 c30498_6e5j 1 51 'spec=NOESY, no=466, id=461, vol=4.730000e+07' 193 127 193 173 c30498_6e5j 1 52 'spec=NOESY, no=3, id=0, vol=6.230000e+06' 196 127 196 169 c30498_6e5j 1 53 'spec=NOESY, no=6, id=3, vol=1.540000e+07' 199 127 199 169 c30498_6e5j 1 54 'spec=NOESY, no=7, id=4, vol=1.000000e+07' 205 127 205 169 c30498_6e5j 1 55 'spec=NOESY, no=8, id=5, vol=9.090000e+07' 208 127 208 169 c30498_6e5j 1 56 'spec=NOESY, no=9, id=6, vol=7.500000e+06' 211 127 211 169 c30498_6e5j 1 57 'spec=NOESY, no=10, id=7, vol=1.120000e+07' 214 127 214 170 c30498_6e5j 1 58 'spec=NOESY, no=11, id=8, vol=5.560000e+07' 220 127 220 170 c30498_6e5j 1 59 'spec=NOESY, no=12, id=9, vol=2.350000e+08' 229 127 229 170 c30498_6e5j 1 60 'spec=NOESY, no=13, id=10, vol=5.580000e+06' 238 127 238 171 c30498_6e5j 1 61 'spec=NOESY, no=14, id=11, vol=3.320000e+07' 241 127 241 171 c30498_6e5j 1 62 'spec=NOESY, no=17, id=14, vol=3.890000e+07' 244 127 244 171 c30498_6e5j 1 63 'spec=NOESY, no=19, id=16, vol=1.990000e+07' 250 127 250 171 c30498_6e5j 1 64 'spec=NOESY, no=21, id=18, vol=1.560000e+07' 256 127 256 171 c30498_6e5j 1 65 'spec=NOESY, no=22, id=19, vol=7.390000e+05' 262 127 262 171 c30498_6e5j 1 66 'spec=NOESY, no=24, id=21, vol=2.370000e+07' 265 127 265 171 c30498_6e5j 1 67 'spec=NOESY, no=26, id=23, vol=6.730000e+06' 268 127 268 171 c30498_6e5j 1 68 'spec=NOESY, no=27, id=24, vol=4.020000e+08' 271 127 271 171 c30498_6e5j 1 69 'spec=NOESY, no=28, id=25, vol=2.030000e+07' 280 127 280 171 c30498_6e5j 1 70 'spec=NOESY, no=29, id=26, vol=1.110000e+07' 286 127 286 171 c30498_6e5j 1 71 'spec=NOESY, no=30, id=27, vol=6.650000e+06' 292 127 292 171 c30498_6e5j 1 72 'spec=NOESY, no=32, id=29, vol=3.990000e+07' 295 127 295 171 c30498_6e5j 1 73 'spec=NOESY, no=33, id=30, vol=2.050000e+07' 298 127 298 171 c30498_6e5j 1 74 'spec=NOESY, no=34, id=31, vol=6.550000e+06' 304 127 304 171 c30498_6e5j 1 75 'spec=NOESY, no=35, id=32, vol=1.740000e+07' 307 127 307 171 c30498_6e5j 1 76 'spec=NOESY, no=36, id=33, vol=3.350000e+07' 313 127 313 171 c30498_6e5j 1 77 'spec=NOESY, no=37, id=34, vol=1.270000e+07' 316 127 316 171 c30498_6e5j 1 78 'spec=NOESY, no=41, id=38, vol=4.980000e+06' 319 127 319 171 c30498_6e5j 1 79 'spec=NOESY, no=42, id=39, vol=1.140000e+07' 328 127 328 171 c30498_6e5j 1 80 'spec=NOESY, no=43, id=40, vol=4.040000e+07' 329 127 329 171 c30498_6e5j 1 81 'spec=NOESY, no=44, id=41, vol=1.260000e+07' 330 127 330 171 c30498_6e5j 1 82 'spec=NOESY, no=46, id=43, vol=1.990000e+07' 331 127 331 171 c30498_6e5j 1 83 'spec=NOESY, no=47, id=44, vol=8.960000e+06' 332 127 332 171 c30498_6e5j 1 84 'spec=NOESY, no=48, id=45, vol=4.650000e+06' 333 127 333 171 c30498_6e5j 1 85 'spec=NOESY, no=49, id=46, vol=1.520000e+07' 334 127 334 171 c30498_6e5j 1 86 'spec=NOESY, no=50, id=47, vol=1.010000e+07' 335 127 335 171 c30498_6e5j 1 87 'spec=NOESY, no=51, id=48, vol=1.100000e+07' 336 127 336 171 c30498_6e5j 1 88 'spec=NOESY, no=53, id=50, vol=8.610000e+06' 338 127 338 171 c30498_6e5j 1 89 'spec=NOESY, no=52, id=49, vol=1.510000e+07' 337 127 337 171 c30498_6e5j 1 90 'spec=NOESY, no=55, id=52, vol=4.360000e+06' 341 127 341 171 c30498_6e5j 1 91 'spec=NOESY, no=54, id=51, vol=1.030000e+07' 340 127 340 171 c30498_6e5j 1 92 'spec=NOESY, no=56, id=53, vol=1.210000e+07' 344 127 344 171 c30498_6e5j 1 93 'spec=NOESY, no=57, id=54, vol=4.080000e+06' 347 127 347 171 c30498_6e5j 1 94 'spec=NOESY, no=58, id=55, vol=4.570000e+06' 350 127 350 171 c30498_6e5j 1 95 'spec=NOESY, no=60, id=57, vol=3.100000e+07' 353 127 353 171 c30498_6e5j 1 96 'spec=NOESY, no=61, id=58, vol=3.300000e+07' 356 127 356 171 c30498_6e5j 1 97 'spec=NOESY, no=65, id=62, vol=3.680000e+06' 360 127 360 171 c30498_6e5j 1 98 'spec=NOESY, no=63, id=60, vol=2.140000e+07' 359 127 359 171 c30498_6e5j 1 99 'spec=NOESY, no=66, id=63, vol=5.220000e+06' 362 127 362 171 c30498_6e5j 1 100 'spec=NOESY, no=67, id=64, vol=5.120000e+07' 365 127 365 171 c30498_6e5j 1 101 'spec=NOESY, no=68, id=65, vol=8.490000e+06' 368 127 368 171 c30498_6e5j 1 102 'spec=NOESY, no=70, id=67, vol=3.440000e+07' 371 127 371 171 c30498_6e5j 1 103 'spec=NOESY, no=72, id=69, vol=5.200000e+06' 374 127 374 171 c30498_6e5j 1 104 'spec=NOESY, no=73, id=70, vol=2.840000e+07' 377 127 377 171 c30498_6e5j 1 105 'spec=NOESY, no=75, id=72, vol=5.130000e+06' 379 127 379 171 c30498_6e5j 1 106 'spec=NOESY, no=74, id=71, vol=4.680000e+07' 378 127 378 171 c30498_6e5j 1 107 'spec=NOESY, no=76, id=73, vol=1.670000e+07' 381 127 381 171 c30498_6e5j 1 108 'spec=NOESY, no=78, id=75, vol=3.700000e+07' 383 127 383 171 c30498_6e5j 1 109 'spec=NOESY, no=81, id=78, vol=3.670000e+07' 386 127 386 171 c30498_6e5j 1 110 'spec=NOESY, no=79, id=76, vol=1.020000e+07' 385 127 385 171 c30498_6e5j 1 111 'spec=NOESY, no=82, id=79, vol=3.880000e+07' 388 127 388 171 c30498_6e5j 1 112 'spec=NOESY, no=84, id=81, vol=6.810000e+06' 391 127 391 171 c30498_6e5j 1 113 'spec=NOESY, no=83, id=80, vol=1.050000e+07' 390 127 390 171 c30498_6e5j 1 114 'spec=NOESY, no=85, id=82, vol=2.160000e+06' 393 127 393 171 c30498_6e5j 1 115 'spec=NOESY, no=86, id=83, vol=4.740000e+07' 394 127 394 171 c30498_6e5j 1 116 'spec=NOESY, no=88, id=85, vol=3.410000e+07' 396 127 396 171 c30498_6e5j 1 117 'spec=NOESY, no=87, id=84, vol=2.710000e+06' 395 127 395 171 c30498_6e5j 1 118 'spec=NOESY, no=89, id=86, vol=7.730000e+07' 398 127 398 171 c30498_6e5j 1 119 'spec=NOESY, no=91, id=88, vol=1.210000e+07' 403 127 403 171 c30498_6e5j 1 120 'spec=NOESY, no=90, id=87, vol=6.640000e+06' 402 127 402 171 c30498_6e5j 1 121 'spec=NOESY, no=92, id=89, vol=4.220000e+07' 405 127 405 171 c30498_6e5j 1 122 'spec=NOESY, no=94, id=91, vol=5.280000e+06' 408 127 408 171 c30498_6e5j 1 123 'spec=NOESY, no=93, id=90, vol=8.220000e+06' 407 127 407 171 c30498_6e5j 1 124 'spec=NOESY, no=95, id=92, vol=1.190000e+07' 410 127 410 171 c30498_6e5j 1 125 'spec=NOESY, no=97, id=94, vol=1.530000e+07' 411 127 411 171 c30498_6e5j 1 126 'spec=NOESY, no=99, id=96, vol=4.130000e+07' 412 127 412 171 c30498_6e5j 1 127 'spec=NOESY, no=101, id=98, vol=1.070000e+07' 414 127 414 172 c30498_6e5j 1 128 'spec=NOESY, no=100, id=97, vol=4.350000e+06' 413 127 413 172 c30498_6e5j 1 129 'spec=NOESY, no=103, id=100, vol=3.160000e+07' 417 127 417 173 c30498_6e5j 1 130 'spec=NOESY, no=102, id=99, vol=3.920000e+07' 416 127 416 172 c30498_6e5j 1 131 'spec=NOESY, no=104, id=101, vol=4.470000e+07' 419 127 419 173 c30498_6e5j 1 132 'spec=NOESY, no=106, id=103, vol=1.070000e+07' 420 127 420 173 c30498_6e5j 1 133 'spec=NOESY, no=110, id=107, vol=7.710000e+06' 422 127 422 173 c30498_6e5j 1 134 'spec=NOESY, no=108, id=105, vol=1.170000e+07' 421 127 421 173 c30498_6e5j 1 135 'spec=NOESY, no=111, id=108, vol=4.980000e+07' 424 127 424 173 c30498_6e5j 1 136 'spec=NOESY, no=112, id=109, vol=4.660000e+07' 425 127 425 173 c30498_6e5j 1 137 'spec=NOESY, no=113, id=110, vol=1.040000e+07' 426 127 426 173 c30498_6e5j 1 138 'spec=NOESY, no=114, id=111, vol=3.030000e+07' 427 127 427 173 c30498_6e5j 1 139 'spec=NOESY, no=115, id=112, vol=1.390000e+07' 428 127 428 173 c30498_6e5j 1 140 'spec=NOESY, no=116, id=113, vol=2.720000e+07' 429 127 429 173 c30498_6e5j 1 141 'spec=NOESY, no=117, id=114, vol=1.250000e+07' 430 127 430 173 c30498_6e5j 1 142 'spec=NOESY, no=119, id=116, vol=3.850000e+07' 432 127 432 173 c30498_6e5j 1 143 'spec=NOESY, no=118, id=115, vol=2.450000e+07' 431 127 431 173 c30498_6e5j 1 144 'spec=NOESY, no=121, id=118, vol=1.840000e+07' 435 127 435 173 c30498_6e5j 1 145 'spec=NOESY, no=120, id=117, vol=3.690000e+07' 434 127 434 173 c30498_6e5j 1 146 'spec=NOESY, no=122, id=119, vol=3.640000e+07' 437 127 437 173 c30498_6e5j 1 147 'spec=NOESY, no=123, id=120, vol=1.620000e+07' 439 127 439 173 c30498_6e5j 1 148 'spec=NOESY, no=126, id=123, vol=1.050000e+08' 442 127 442 173 c30498_6e5j 1 149 'spec=NOESY, no=125, id=122, vol=8.160000e+06' 441 127 441 173 c30498_6e5j 1 150 'spec=NOESY, no=128, id=125, vol=3.390000e+07' 445 127 445 173 c30498_6e5j 1 151 'spec=NOESY, no=127, id=124, vol=1.160000e+07' 444 127 444 173 c30498_6e5j 1 152 'spec=NOESY, no=129, id=126, vol=4.760000e+07' 449 127 449 173 c30498_6e5j 1 153 'spec=NOESY, no=130, id=127, vol=6.270000e+07' 450 127 450 173 c30498_6e5j 1 154 'spec=NOESY, no=131, id=128, vol=4.520000e+07' 451 127 451 173 c30498_6e5j 1 155 'spec=NOESY, no=132, id=129, vol=2.560000e+07' 452 127 452 173 c30498_6e5j 1 156 'spec=NOESY, no=133, id=130, vol=1.330000e+07' 453 127 453 173 c30498_6e5j 1 157 'spec=NOESY, no=134, id=131, vol=2.310000e+07' 454 127 454 173 c30498_6e5j 1 158 'spec=NOESY, no=135, id=132, vol=1.790000e+07' 455 127 455 173 c30498_6e5j 1 159 'spec=NOESY, no=137, id=134, vol=3.380000e+07' 457 127 457 173 c30498_6e5j 1 160 'spec=NOESY, no=136, id=133, vol=3.350000e+06' 456 127 456 173 c30498_6e5j 1 161 'spec=NOESY, no=138, id=135, vol=5.570000e+07' 460 127 460 173 c30498_6e5j 1 162 'spec=NOESY, no=139, id=136, vol=3.600000e+07' 461 127 461 173 c30498_6e5j 1 163 'spec=NOESY, no=140, id=137, vol=7.030000e+07' 462 127 462 173 c30498_6e5j 1 164 'spec=NOESY, no=141, id=138, vol=4.480000e+07' 463 127 463 173 c30498_6e5j 1 165 'spec=NOESY, no=143, id=140, vol=5.480000e+07' 465 127 465 173 c30498_6e5j 1 166 'spec=NOESY, no=142, id=139, vol=1.300000e+07' 464 127 464 173 c30498_6e5j 1 167 'spec=NOESY, no=144, id=141, vol=2.210000e+07' 467 127 467 173 c30498_6e5j 1 168 'spec=NOESY, no=145, id=142, vol=3.330000e+07' 469 127 469 173 c30498_6e5j 1 169 'spec=NOESY, no=146, id=143, vol=5.940000e+07' 470 127 470 173 c30498_6e5j 1 170 'spec=NOESY, no=150, id=147, vol=2.140000e+07' 472 127 472 173 c30498_6e5j 1 171 'spec=NOESY, no=147, id=144, vol=6.230000e+06' 471 127 471 173 c30498_6e5j 1 172 'spec=NOESY, no=151, id=148, vol=4.440000e+06' 474 127 474 173 c30498_6e5j 1 173 'spec=NOESY, no=152, id=149, vol=8.090000e+06' 476 127 476 173 c30498_6e5j 1 174 'spec=NOESY, no=153, id=150, vol=2.460000e+07' 478 127 478 173 c30498_6e5j 1 175 'spec=NOESY, no=154, id=151, vol=1.030000e+07' 479 127 479 173 c30498_6e5j 1 176 'spec=NOESY, no=155, id=152, vol=1.040000e+07' 480 127 480 173 c30498_6e5j 1 177 'spec=NOESY, no=157, id=154, vol=2.040000e+07' 482 127 482 173 c30498_6e5j 1 178 'spec=NOESY, no=156, id=153, vol=1.340000e+07' 481 127 481 173 c30498_6e5j 1 179 'spec=NOESY, no=158, id=155, vol=1.560000e+07' 484 127 484 173 c30498_6e5j 1 180 'spec=NOESY, no=159, id=156, vol=9.470000e+06' 485 127 485 173 c30498_6e5j 1 181 'spec=NOESY, no=161, id=158, vol=1.770000e+07' 486 127 486 173 c30498_6e5j 1 182 'spec=NOESY, no=164, id=161, vol=1.270000e+08' 488 127 488 173 c30498_6e5j 1 183 'spec=NOESY, no=162, id=159, vol=1.450000e+07' 487 127 487 173 c30498_6e5j 1 184 'spec=NOESY, no=165, id=162, vol=4.100000e+07' 490 127 490 173 c30498_6e5j 1 185 'spec=NOESY, no=166, id=163, vol=8.880000e+07' 492 127 492 173 c30498_6e5j 1 186 'spec=NOESY, no=168, id=165, vol=1.700000e+06' 495 127 495 173 c30498_6e5j 1 187 'spec=NOESY, no=167, id=164, vol=1.260000e+07' 494 127 494 173 c30498_6e5j 1 188 'spec=NOESY, no=172, id=169, vol=4.270000e+07' 498 127 498 173 c30498_6e5j 1 189 'spec=NOESY, no=170, id=167, vol=1.720000e+07' 497 127 497 173 c30498_6e5j 1 190 'spec=NOESY, no=173, id=170, vol=1.110000e+08' 500 127 500 173 c30498_6e5j 1 191 'spec=NOESY, no=174, id=171, vol=3.010000e+06' 502 127 502 173 c30498_6e5j 1 192 'spec=NOESY, no=176, id=173, vol=1.160000e+08' 506 127 506 173 c30498_6e5j 1 193 'spec=NOESY, no=177, id=174, vol=5.730000e+07' 508 127 508 173 c30498_6e5j 1 194 'spec=NOESY, no=178, id=175, vol=1.820000e+06' 510 127 510 173 c30498_6e5j 1 195 'spec=NOESY, no=182, id=179, vol=2.500000e+07' 512 127 512 173 c30498_6e5j 1 196 'spec=NOESY, no=185, id=182, vol=5.980000e+07' 514 127 514 173 c30498_6e5j 1 197 'spec=NOESY, no=184, id=181, vol=3.500000e+08' 513 127 513 173 c30498_6e5j 1 198 'spec=NOESY, no=186, id=183, vol=3.960000e+06' 517 127 517 173 c30498_6e5j 1 199 'spec=NOESY, no=187, id=184, vol=2.680000e+07' 518 127 518 173 c30498_6e5j 1 200 'spec=NOESY, no=188, id=185, vol=3.630000e+06' 519 127 519 173 c30498_6e5j 1 201 'spec=NOESY, no=192, id=189, vol=8.210000e+07' 521 127 521 173 c30498_6e5j 1 202 'spec=NOESY, no=190, id=187, vol=2.740000e+06' 520 127 520 173 c30498_6e5j 1 203 'spec=NOESY, no=193, id=190, vol=5.820000e+07' 523 127 523 173 c30498_6e5j 1 204 'spec=NOESY, no=196, id=193, vol=2.430000e+07' 525 127 525 173 c30498_6e5j 1 205 'spec=NOESY, no=194, id=191, vol=3.520000e+08' 524 127 524 173 c30498_6e5j 1 206 'spec=NOESY, no=198, id=195, vol=2.060000e+07' 527 127 527 173 c30498_6e5j 1 207 'spec=NOESY, no=199, id=196, vol=4.260000e+07' 528 127 528 173 c30498_6e5j 1 208 'spec=NOESY, no=201, id=198, vol=1.500000e+07' 530 127 530 173 c30498_6e5j 1 209 'spec=NOESY, no=200, id=197, vol=7.220000e+06' 529 127 529 173 c30498_6e5j 1 210 'spec=NOESY, no=202, id=199, vol=1.960000e+07' 532 127 532 173 c30498_6e5j 1 211 'spec=NOESY, no=203, id=200, vol=5.350000e+07' 538 127 538 173 c30498_6e5j 1 212 'spec=NOESY, no=205, id=202, vol=1.500000e+08' 544 127 544 173 c30498_6e5j 1 213 'spec=NOESY, no=206, id=203, vol=2.540000e+07' 548 127 548 173 c30498_6e5j 1 214 'spec=NOESY, no=207, id=204, vol=6.100000e+07' 552 127 552 173 c30498_6e5j 1 215 'spec=NOESY, no=208, id=205, vol=4.420000e+07' 554 127 554 173 c30498_6e5j 1 216 'spec=NOESY, no=209, id=206, vol=6.640000e+06' 556 127 556 173 c30498_6e5j 1 217 'spec=NOESY, no=210, id=207, vol=2.150000e+07' 562 127 562 173 c30498_6e5j 1 218 'spec=NOESY, no=211, id=208, vol=2.500000e+07' 568 127 568 173 c30498_6e5j 1 219 'spec=NOESY, no=212, id=209, vol=5.310000e+07' 569 127 569 173 c30498_6e5j 1 220 'spec=NOESY, no=213, id=210, vol=1.240000e+07' 570 127 570 173 c30498_6e5j 1 221 'spec=NOESY, no=214, id=211, vol=3.880000e+08' 571 127 571 173 c30498_6e5j 1 222 'spec=NOESY, no=216, id=213, vol=7.900000e+06' 573 127 573 173 c30498_6e5j 1 223 'spec=NOESY, no=215, id=212, vol=9.460000e+06' 572 127 572 173 c30498_6e5j 1 224 'spec=NOESY, no=217, id=214, vol=3.070000e+06' 575 127 575 173 c30498_6e5j 1 225 'spec=NOESY, no=218, id=215, vol=5.410000e+06' 576 127 576 173 c30498_6e5j 1 226 'spec=NOESY, no=219, id=216, vol=5.970000e+07' 577 127 577 173 c30498_6e5j 1 227 'spec=NOESY, no=220, id=217, vol=4.310000e+08' 578 127 578 173 c30498_6e5j 1 228 'spec=NOESY, no=222, id=219, vol=9.980000e+06' 579 127 579 173 c30498_6e5j 1 229 'spec=NOESY, no=223, id=220, vol=3.370000e+08' 580 127 580 173 c30498_6e5j 1 230 'spec=NOESY, no=224, id=221, vol=1.570000e+07' 581 127 581 173 c30498_6e5j 1 231 'spec=NOESY, no=225, id=222, vol=5.410000e+07' 582 127 582 173 c30498_6e5j 1 232 'spec=NOESY, no=227, id=224, vol=1.590000e+07' 583 127 583 173 c30498_6e5j 1 233 'spec=NOESY, no=230, id=227, vol=1.530000e+07' 585 127 585 173 c30498_6e5j 1 234 'spec=NOESY, no=229, id=226, vol=7.550000e+06' 584 127 584 173 c30498_6e5j 1 235 'spec=NOESY, no=232, id=229, vol=1.110000e+07' 588 127 588 173 c30498_6e5j 1 236 'spec=NOESY, no=231, id=228, vol=2.150000e+06' 587 127 587 173 c30498_6e5j 1 237 'spec=NOESY, no=233, id=230, vol=3.090000e+06' 590 127 590 173 c30498_6e5j 1 238 'spec=NOESY, no=234, id=231, vol=7.430000e+07' 592 127 592 173 c30498_6e5j 1 239 'spec=NOESY, no=235, id=232, vol=2.650000e+07' 594 127 594 173 c30498_6e5j 1 240 'spec=NOESY, no=236, id=233, vol=4.720000e+07' 595 127 595 173 c30498_6e5j 1 241 'spec=NOESY, no=238, id=235, vol=9.230000e+06' 596 127 596 173 c30498_6e5j 1 242 'spec=NOESY, no=239, id=236, vol=3.650000e+07' 597 127 597 173 c30498_6e5j 1 243 'spec=NOESY, no=240, id=237, vol=1.850000e+07' 598 127 598 173 c30498_6e5j 1 244 'spec=NOESY, no=244, id=241, vol=2.540000e+06' 600 127 600 173 c30498_6e5j 1 245 'spec=NOESY, no=243, id=240, vol=3.970000e+07' 599 127 599 173 c30498_6e5j 1 246 'spec=NOESY, no=245, id=242, vol=5.070000e+08' 602 127 602 173 c30498_6e5j 1 247 'spec=NOESY, no=246, id=243, vol=1.350000e+07' 603 127 603 173 c30498_6e5j 1 248 'spec=NOESY, no=248, id=245, vol=1.720000e+07' 605 127 605 173 c30498_6e5j 1 249 'spec=NOESY, no=247, id=244, vol=9.820000e+06' 604 127 604 173 c30498_6e5j 1 250 'spec=NOESY, no=249, id=246, vol=8.690000e+06' 607 127 607 173 c30498_6e5j 1 251 'spec=NOESY, no=250, id=247, vol=2.070000e+07' 608 127 608 173 c30498_6e5j 1 252 'spec=NOESY, no=252, id=249, vol=8.050000e+06' 610 127 610 173 c30498_6e5j 1 253 'spec=NOESY, no=251, id=248, vol=1.510000e+07' 609 127 609 173 c30498_6e5j 1 254 'spec=NOESY, no=253, id=250, vol=5.920000e+07' 613 127 613 173 c30498_6e5j 1 255 'spec=NOESY, no=254, id=251, vol=6.440000e+06' 622 127 622 173 c30498_6e5j 1 256 'spec=NOESY, no=256, id=253, vol=6.190000e+06' 626 127 626 173 c30498_6e5j 1 257 'spec=NOESY, no=257, id=254, vol=1.690000e+07' 629 127 629 173 c30498_6e5j 1 258 'spec=NOESY, no=258, id=255, vol=8.190000e+06' 635 127 635 173 c30498_6e5j 1 259 'spec=NOESY, no=259, id=256, vol=1.900000e+07' 639 127 639 173 c30498_6e5j 1 260 'spec=NOESY, no=260, id=257, vol=1.390000e+07' 648 127 648 173 c30498_6e5j 1 261 'spec=NOESY, no=262, id=259, vol=2.190000e+07' 650 127 650 173 c30498_6e5j 1 262 'spec=NOESY, no=263, id=260, vol=4.550000e+07' 651 127 651 173 c30498_6e5j 1 263 'spec=NOESY, no=264, id=261, vol=1.350000e+07' 652 127 652 173 c30498_6e5j 1 264 'spec=NOESY, no=265, id=262, vol=1.670000e+06' 653 127 653 173 c30498_6e5j 1 265 'spec=NOESY, no=266, id=263, vol=1.050000e+07' 654 127 654 173 c30498_6e5j 1 266 'spec=NOESY, no=268, id=265, vol=2.960000e+06' 656 127 656 173 c30498_6e5j 1 267 'spec=NOESY, no=267, id=264, vol=3.870000e+07' 655 127 655 173 c30498_6e5j 1 268 'spec=NOESY, no=269, id=266, vol=4.620000e+06' 658 127 658 173 c30498_6e5j 1 269 'spec=NOESY, no=271, id=268, vol=2.110000e+08' 660 127 660 173 c30498_6e5j 1 270 'spec=NOESY, no=275, id=272, vol=1.890000e+07' 662 127 662 173 c30498_6e5j 1 271 'spec=NOESY, no=278, id=274, vol=3.670000e+07' 666 127 666 173 c30498_6e5j 1 272 'spec=NOESY, no=277, id=273, vol=1.830000e+07' 665 127 665 173 c30498_6e5j 1 273 'spec=NOESY, no=279, id=275, vol=3.380000e+06' 669 127 669 173 c30498_6e5j 1 274 'spec=NOESY, no=281, id=277, vol=1.200000e+07' 671 127 671 173 c30498_6e5j 1 275 'spec=NOESY, no=280, id=276, vol=6.780000e+07' 670 127 670 173 c30498_6e5j 1 276 'spec=NOESY, no=283, id=279, vol=6.350000e+06' 675 127 675 173 c30498_6e5j 1 277 'spec=NOESY, no=282, id=278, vol=5.240000e+06' 674 127 674 173 c30498_6e5j 1 278 'spec=NOESY, no=284, id=280, vol=9.600000e+06' 677 127 677 173 c30498_6e5j 1 279 'spec=NOESY, no=285, id=281, vol=3.100000e+08' 678 127 678 173 c30498_6e5j 1 280 'spec=NOESY, no=286, id=282, vol=1.160000e+07' 679 127 679 173 c30498_6e5j 1 281 'spec=NOESY, no=287, id=283, vol=3.440000e+08' 680 127 680 173 c30498_6e5j 1 282 'spec=NOESY, no=288, id=284, vol=4.060000e+06' 681 127 681 173 c30498_6e5j 1 283 'spec=NOESY, no=289, id=285, vol=2.070000e+07' 682 127 682 173 c30498_6e5j 1 284 'spec=NOESY, no=290, id=286, vol=6.000000e+08' 683 127 683 173 c30498_6e5j 1 285 'spec=NOESY, no=291, id=287, vol=7.450000e+07' 684 127 684 173 c30498_6e5j 1 286 'spec=NOESY, no=292, id=288, vol=2.940000e+07' 685 127 685 173 c30498_6e5j 1 287 'spec=NOESY, no=293, id=289, vol=2.000000e+07' 686 127 686 173 c30498_6e5j 1 288 'spec=NOESY, no=294, id=290, vol=5.760000e+07' 687 127 687 173 c30498_6e5j 1 289 'spec=NOESY, no=295, id=291, vol=2.380000e+07' 688 127 688 173 c30498_6e5j 1 290 'spec=NOESY, no=296, id=292, vol=1.380000e+07' 689 127 689 173 c30498_6e5j 1 291 'spec=NOESY, no=298, id=294, vol=7.620000e+07' 690 127 690 173 c30498_6e5j 1 292 'spec=NOESY, no=299, id=295, vol=5.390000e+07' 691 127 691 173 c30498_6e5j 1 293 'spec=NOESY, no=300, id=296, vol=6.510000e+07' 692 127 692 173 c30498_6e5j 1 294 'spec=NOESY, no=301, id=297, vol=2.150000e+07' 693 127 693 173 c30498_6e5j 1 295 'spec=NOESY, no=304, id=300, vol=8.580000e+06' 694 127 694 173 c30498_6e5j 1 296 'spec=NOESY, no=306, id=302, vol=1.110000e+07' 696 127 696 173 c30498_6e5j 1 297 'spec=NOESY, no=305, id=301, vol=6.840000e+07' 695 127 695 173 c30498_6e5j 1 298 'spec=NOESY, no=307, id=303, vol=3.230000e+06' 698 127 698 173 c30498_6e5j 1 299 'spec=NOESY, no=309, id=305, vol=1.020000e+07' 701 127 701 173 c30498_6e5j 1 300 'spec=NOESY, no=308, id=304, vol=1.360000e+07' 700 127 700 173 c30498_6e5j 1 301 'spec=NOESY, no=311, id=307, vol=4.750000e+07' 703 127 703 173 c30498_6e5j 1 302 'spec=NOESY, no=313, id=309, vol=9.110000e+06' 705 127 705 173 c30498_6e5j 1 303 'spec=NOESY, no=312, id=308, vol=3.300000e+07' 704 127 704 173 c30498_6e5j 1 304 'spec=NOESY, no=315, id=311, vol=1.080000e+07' 708 127 708 173 c30498_6e5j 1 305 'spec=NOESY, no=314, id=310, vol=3.010000e+07' 707 127 707 173 c30498_6e5j 1 306 'spec=NOESY, no=316, id=312, vol=3.780000e+06' 711 127 711 173 c30498_6e5j 1 307 'spec=NOESY, no=318, id=314, vol=1.240000e+07' 713 127 713 173 c30498_6e5j 1 308 'spec=NOESY, no=319, id=315, vol=3.990000e+07' 715 127 715 173 c30498_6e5j 1 309 'spec=NOESY, no=320, id=316, vol=8.070000e+07' 717 127 717 173 c30498_6e5j 1 310 'spec=NOESY, no=321, id=317, vol=1.300000e+08' 719 127 719 173 c30498_6e5j 1 311 'spec=NOESY, no=323, id=319, vol=7.480000e+06' 721 127 721 173 c30498_6e5j 1 312 'spec=NOESY, no=322, id=318, vol=3.570000e+07' 720 127 720 173 c30498_6e5j 1 313 'spec=NOESY, no=326, id=322, vol=1.670000e+07' 723 127 723 173 c30498_6e5j 1 314 'spec=NOESY, no=328, id=324, vol=8.770000e+07' 725 127 725 173 c30498_6e5j 1 315 'spec=NOESY, no=327, id=323, vol=1.200000e+07' 724 127 724 173 c30498_6e5j 1 316 'spec=NOESY, no=330, id=326, vol=4.080000e+06' 727 127 727 173 c30498_6e5j 1 317 'spec=NOESY, no=331, id=327, vol=9.540000e+06' 729 127 729 173 c30498_6e5j 1 318 'spec=NOESY, no=332, id=328, vol=4.960000e+07' 730 127 730 173 c30498_6e5j 1 319 'spec=NOESY, no=333, id=329, vol=1.230000e+07' 731 127 731 173 c30498_6e5j 1 320 'spec=NOESY, no=334, id=330, vol=3.430000e+06' 732 127 732 173 c30498_6e5j 1 321 'spec=NOESY, no=335, id=331, vol=4.850000e+07' 733 127 733 173 c30498_6e5j 1 322 'spec=NOESY, no=337, id=333, vol=3.920000e+07' 734 127 734 173 c30498_6e5j 1 323 'spec=NOESY, no=338, id=334, vol=1.580000e+08' 735 127 735 173 c30498_6e5j 1 324 'spec=NOESY, no=339, id=335, vol=1.300000e+07' 736 127 736 173 c30498_6e5j 1 325 'spec=NOESY, no=340, id=336, vol=2.130000e+07' 737 127 737 173 c30498_6e5j 1 326 'spec=NOESY, no=341, id=337, vol=6.130000e+06' 738 127 738 173 c30498_6e5j 1 327 'spec=NOESY, no=343, id=339, vol=7.000000e+06' 740 127 740 173 c30498_6e5j 1 328 'spec=NOESY, no=342, id=338, vol=3.050000e+07' 739 127 739 173 c30498_6e5j 1 329 'spec=NOESY, no=344, id=340, vol=3.510000e+06' 743 127 743 173 c30498_6e5j 1 330 'spec=NOESY, no=346, id=342, vol=7.240000e+07' 745 127 745 173 c30498_6e5j 1 331 'spec=NOESY, no=345, id=341, vol=3.840000e+06' 744 127 744 173 c30498_6e5j 1 332 'spec=NOESY, no=347, id=343, vol=4.300000e+07' 747 127 747 173 c30498_6e5j 1 333 'spec=NOESY, no=348, id=344, vol=6.170000e+07' 748 127 748 173 c30498_6e5j 1 334 'spec=NOESY, no=349, id=345, vol=3.900000e+07' 749 127 749 173 c30498_6e5j 1 335 'spec=NOESY, no=350, id=346, vol=4.000000e+06' 750 127 750 173 c30498_6e5j 1 336 'spec=NOESY, no=353, id=349, vol=1.330000e+07' 751 127 751 173 c30498_6e5j 1 337 'spec=NOESY, no=354, id=350, vol=1.790000e+07' 752 127 752 173 c30498_6e5j 1 338 'spec=NOESY, no=355, id=351, vol=1.920000e+07' 753 127 753 173 c30498_6e5j 1 339 'spec=NOESY, no=356, id=352, vol=1.060000e+08' 754 127 754 173 c30498_6e5j 1 340 'spec=NOESY, no=357, id=353, vol=1.240000e+08' 755 127 755 173 c30498_6e5j 1 341 'spec=NOESY, no=358, id=354, vol=8.860000e+07' 756 127 756 173 c30498_6e5j 1 342 'spec=NOESY, no=359, id=355, vol=1.210000e+07' 757 127 757 173 c30498_6e5j 1 343 'spec=NOESY, no=360, id=356, vol=9.940000e+06' 758 127 758 173 c30498_6e5j 1 344 'spec=NOESY, no=361, id=357, vol=5.040000e+07' 759 127 759 173 c30498_6e5j 1 345 'spec=NOESY, no=362, id=358, vol=5.260000e+06' 760 127 760 173 c30498_6e5j 1 346 'spec=NOESY, no=363, id=359, vol=3.400000e+06' 761 127 761 173 c30498_6e5j 1 347 'spec=NOESY, no=364, id=360, vol=2.140000e+07' 762 127 762 173 c30498_6e5j 1 348 'spec=NOESY, no=365, id=361, vol=3.060000e+07' 763 127 763 173 c30498_6e5j 1 349 'spec=NOESY, no=366, id=362, vol=2.910000e+07' 764 127 764 173 c30498_6e5j 1 350 'spec=NOESY, no=367, id=363, vol=1.640000e+07' 765 127 765 173 c30498_6e5j 1 351 'spec=NOESY, no=368, id=364, vol=3.510000e+07' 766 127 766 173 c30498_6e5j 1 352 'spec=NOESY, no=369, id=365, vol=6.230000e+07' 767 127 767 173 c30498_6e5j 1 353 'spec=NOESY, no=372, id=368, vol=1.120000e+07' 769 127 769 173 c30498_6e5j 1 354 'spec=NOESY, no=370, id=366, vol=8.780000e+06' 768 127 768 173 c30498_6e5j 1 355 'spec=NOESY, no=374, id=369, vol=5.240000e+07' 772 127 772 173 c30498_6e5j 1 356 'spec=NOESY, no=375, id=370, vol=1.880000e+08' 775 127 775 173 c30498_6e5j 1 357 'spec=NOESY, no=378, id=373, vol=8.420000e+07' 777 127 777 173 c30498_6e5j 1 358 'spec=NOESY, no=376, id=371, vol=2.280000e+07' 776 127 776 173 c30498_6e5j 1 359 'spec=NOESY, no=379, id=374, vol=1.240000e+07' 780 127 780 173 c30498_6e5j 1 360 'spec=NOESY, no=381, id=376, vol=2.820000e+06' 781 127 781 173 c30498_6e5j 1 361 'spec=NOESY, no=382, id=377, vol=6.820000e+07' 782 127 782 173 c30498_6e5j 1 362 'spec=NOESY, no=386, id=381, vol=9.830000e+06' 784 127 784 173 c30498_6e5j 1 363 'spec=NOESY, no=383, id=378, vol=1.610000e+08' 783 127 783 173 c30498_6e5j 1 364 'spec=NOESY, no=387, id=382, vol=2.860000e+07' 787 127 787 173 c30498_6e5j 1 365 'spec=NOESY, no=389, id=384, vol=2.950000e+07' 789 127 789 173 c30498_6e5j 1 366 'spec=NOESY, no=388, id=383, vol=4.110000e+07' 788 127 788 173 c30498_6e5j 1 367 'spec=NOESY, no=391, id=386, vol=4.680000e+06' 792 127 792 173 c30498_6e5j 1 368 'spec=NOESY, no=390, id=385, vol=2.190000e+07' 791 127 791 173 c30498_6e5j 1 369 'spec=NOESY, no=392, id=387, vol=1.450000e+07' 794 127 794 173 c30498_6e5j 1 370 'spec=NOESY, no=394, id=389, vol=8.530000e+07' 797 127 797 173 c30498_6e5j 1 371 'spec=NOESY, no=393, id=388, vol=5.620000e+06' 796 127 796 173 c30498_6e5j 1 372 'spec=NOESY, no=396, id=391, vol=1.390000e+07' 799 127 799 173 c30498_6e5j 1 373 'spec=NOESY, no=398, id=393, vol=3.900000e+07' 800 127 800 173 c30498_6e5j 1 374 'spec=NOESY, no=399, id=394, vol=1.870000e+08' 801 127 801 173 c30498_6e5j 1 375 'spec=NOESY, no=400, id=395, vol=4.280000e+07' 802 127 802 173 c30498_6e5j 1 376 'spec=NOESY, no=403, id=398, vol=7.580000e+07' 804 127 804 173 c30498_6e5j 1 377 'spec=NOESY, no=402, id=397, vol=2.740000e+07' 803 127 803 173 c30498_6e5j 1 378 'spec=NOESY, no=404, id=399, vol=1.940000e+07' 807 127 807 173 c30498_6e5j 1 379 'spec=NOESY, no=406, id=401, vol=8.580000e+06' 811 127 811 173 c30498_6e5j 1 380 'spec=NOESY, no=405, id=400, vol=1.290000e+08' 810 127 810 173 c30498_6e5j 1 381 'spec=NOESY, no=407, id=402, vol=3.030000e+07' 813 127 813 173 c30498_6e5j 1 382 'spec=NOESY, no=409, id=404, vol=1.340000e+08' 815 127 815 173 c30498_6e5j 1 383 'spec=NOESY, no=410, id=405, vol=2.280000e+07' 817 127 817 173 c30498_6e5j 1 384 'spec=NOESY, no=411, id=406, vol=3.320000e+07' 818 127 818 173 c30498_6e5j 1 385 'spec=NOESY, no=413, id=408, vol=2.410000e+07' 819 127 819 173 c30498_6e5j 1 386 'spec=NOESY, no=414, id=409, vol=3.150000e+07' 820 127 820 173 c30498_6e5j 1 387 'spec=NOESY, no=415, id=410, vol=1.000000e+08' 821 127 821 173 c30498_6e5j 1 388 'spec=NOESY, no=417, id=412, vol=4.120000e+07' 822 127 822 173 c30498_6e5j 1 389 'spec=NOESY, no=418, id=413, vol=1.280000e+08' 823 127 823 173 c30498_6e5j 1 390 'spec=NOESY, no=419, id=414, vol=6.690000e+07' 824 127 824 173 c30498_6e5j 1 391 'spec=NOESY, no=422, id=417, vol=4.200000e+07' 826 127 826 173 c30498_6e5j 1 392 'spec=NOESY, no=420, id=415, vol=4.710000e+07' 825 127 825 173 c30498_6e5j 1 393 'spec=NOESY, no=423, id=418, vol=5.280000e+07' 828 127 828 173 c30498_6e5j 1 394 'spec=NOESY, no=425, id=420, vol=2.310000e+08' 830 127 830 173 c30498_6e5j 1 395 'spec=NOESY, no=424, id=419, vol=4.190000e+07' 829 127 829 173 c30498_6e5j 1 396 'spec=NOESY, no=427, id=422, vol=7.280000e+06' 833 127 833 173 c30498_6e5j 1 397 'spec=NOESY, no=428, id=423, vol=1.960000e+08' 836 127 836 173 c30498_6e5j 1 398 'spec=NOESY, no=429, id=424, vol=3.440000e+08' 840 127 840 173 c30498_6e5j 1 399 'spec=NOESY, no=431, id=426, vol=3.710000e+06' 844 127 844 173 c30498_6e5j 1 400 'spec=NOESY, no=433, id=428, vol=1.060000e+07' 846 127 846 173 c30498_6e5j 1 401 'spec=NOESY, no=434, id=429, vol=2.490000e+07' 848 127 848 173 c30498_6e5j 1 402 'spec=NOESY, no=435, id=430, vol=4.940000e+06' 850 127 850 173 c30498_6e5j 1 403 'spec=NOESY, no=436, id=431, vol=4.420000e+06' 852 127 852 173 c30498_6e5j 1 404 'spec=NOESY, no=438, id=433, vol=3.530000e+06' 855 127 855 173 c30498_6e5j 1 405 'spec=NOESY, no=437, id=432, vol=3.640000e+08' 854 127 854 173 c30498_6e5j 1 406 'spec=NOESY, no=439, id=434, vol=1.960000e+06' 857 127 857 173 c30498_6e5j 1 407 'spec=NOESY, no=440, id=435, vol=2.030000e+07' 859 127 859 173 c30498_6e5j 1 408 'spec=NOESY, no=441, id=436, vol=4.730000e+08' 861 127 861 173 c30498_6e5j 1 409 'spec=NOESY, no=442, id=437, vol=2.210000e+06' 862 127 862 173 c30498_6e5j 1 410 'spec=NOESY, no=443, id=438, vol=5.890000e+06' 863 127 863 173 c30498_6e5j 1 411 'spec=NOESY, no=444, id=439, vol=1.420000e+07' 864 127 864 173 c30498_6e5j 1 412 'spec=NOESY, no=445, id=440, vol=3.590000e+06' 865 127 865 173 c30498_6e5j 1 413 'spec=NOESY, no=446, id=441, vol=3.000000e+06' 866 127 866 173 c30498_6e5j 1 414 'spec=NOESY, no=447, id=442, vol=2.190000e+07' 867 127 867 173 c30498_6e5j 1 415 'spec=NOESY, no=448, id=443, vol=6.180000e+06' 868 127 868 173 c30498_6e5j 1 416 'spec=NOESY, no=449, id=444, vol=1.940000e+07' 869 127 869 173 c30498_6e5j 1 417 'spec=NOESY, no=452, id=447, vol=2.440000e+07' 870 127 870 173 c30498_6e5j 1 418 'spec=NOESY, no=453, id=448, vol=1.170000e+07' 871 127 871 173 c30498_6e5j 1 419 'spec=NOESY, no=454, id=449, vol=6.300000e+06' 872 127 872 173 c30498_6e5j 1 420 'spec=NOESY, no=455, id=450, vol=1.250000e+07' 873 127 873 173 c30498_6e5j 1 421 'spec=NOESY, no=456, id=451, vol=9.780000e+06' 874 127 874 173 c30498_6e5j 1 422 'spec=NOESY, no=458, id=453, vol=2.370000e+07' 875 127 875 173 c30498_6e5j 1 423 'spec=NOESY, no=460, id=455, vol=1.010000e+07' 876 127 876 173 c30498_6e5j 1 424 'spec=NOESY, no=461, id=456, vol=3.910000e+07' 877 127 877 173 c30498_6e5j 1 425 'spec=NOESY, no=462, id=457, vol=3.500000e+07' 878 127 878 173 c30498_6e5j 1 426 'spec=NOESY, no=463, id=458, vol=3.660000e+07' 879 127 879 173 c30498_6e5j 1 427 'spec=NOESY, no=464, id=459, vol=2.590000e+06' 880 127 880 173 c30498_6e5j 1 428 'spec=NOESY, no=467, id=462, vol=5.500000e+06' 881 127 881 173 c30498_6e5j 1 429 'spec=NOESY, no=468, id=463, vol=5.910000e+07' 882 127 882 173 c30498_6e5j 1 430 'spec=NOESY, no=469, id=464, vol=8.100000e+06' 883 127 883 173 c30498_6e5j 1 431 'spec=NOESY, no=470, id=465, vol=5.930000e+06' 884 127 884 173 c30498_6e5j 1 432 'spec=NOESY, no=471, id=466, vol=5.670000e+06' 885 127 885 173 c30498_6e5j 1 433 'spec=NOESY, no=472, id=467, vol=2.220000e+07' 886 127 886 173 c30498_6e5j 1 434 'spec=NOESY, no=473, id=468, vol=1.040000e+07' 887 127 887 173 c30498_6e5j 1 435 'spec=NOESY, no=474, id=469, vol=5.790000e+06' 888 127 888 173 c30498_6e5j 1 436 'spec=NOESY, no=475, id=470, vol=8.900000e+06' 889 127 889 173 c30498_6e5j 1 437 'spec=NOESY, no=476, id=471, vol=7.210000e+06' 890 127 890 173 c30498_6e5j 1 438 'spec=NOESY, no=477, id=472, vol=5.570000e+06' 891 127 891 173 c30498_6e5j 1 439 'spec=NOESY, no=478, id=473, vol=1.510000e+07' 892 127 892 173 c30498_6e5j 1 440 'spec=NOESY, no=480, id=475, vol=7.490000e+06' 893 127 893 173 c30498_6e5j 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 9 1 "Not handling restraint 9, item 10, resonance(s) ' .12.HB23' (nmrStar names) not linked" c30498_6e5j 1 2 2 9 1 "Not handling restraint 9, item 11, resonance(s) ' .12.HB23' (nmrStar names) not linked" c30498_6e5j 1 3 2 9 1 "Not handling restraint 9, item 2, resonance(s) ' .9.HD2' (nmrStar names) not linked" c30498_6e5j 1 4 2 9 1 "Not handling restraint 9, item 3, resonance(s) ' .9.HD2' (nmrStar names) not linked" c30498_6e5j 1 5 2 9 1 "Not handling restraint 9, item 4, resonance(s) ' .9.HD1' (nmrStar names) not linked" c30498_6e5j 1 6 2 9 1 "Not handling restraint 9, item 5, resonance(s) ' .9.HD1' (nmrStar names) not linked" c30498_6e5j 1 7 2 9 1 "Not handling restraint 9, item 6, resonance(s) ' .12.HB22' (nmrStar names) not linked" c30498_6e5j 1 8 2 9 1 "Not handling restraint 9, item 7, resonance(s) ' .12.HB22' (nmrStar names) not linked" c30498_6e5j 1 9 2 9 1 "Not handling restraint 9, item 8, resonance(s) ' .12.HB21' (nmrStar names) not linked" c30498_6e5j 1 10 2 9 1 "Not handling restraint 9, item 9, resonance(s) ' .12.HB21' (nmrStar names) not linked" c30498_6e5j 1 11 2 10 1 "Not handling restraint 10, item 2, resonance(s) ' .12.HB12' (nmrStar names) not linked" c30498_6e5j 1 12 2 10 1 "Not handling restraint 10, item 3, resonance(s) ' .12.HB11' (nmrStar names) not linked" c30498_6e5j 1 13 2 10 1 "Not handling restraint 10, item 4, resonance(s) ' .12.HB13' (nmrStar names) not linked" c30498_6e5j 1 14 2 10 1 "Not handling restraint 10, item 5, resonance(s) ' .12.HB12' (nmrStar names) not linked" c30498_6e5j 1 15 2 10 1 "Not handling restraint 10, item 6, resonance(s) ' .12.HB11' (nmrStar names) not linked" c30498_6e5j 1 16 2 10 1 "Not handling restraint 10, item 7, resonance(s) ' .12.HB13' (nmrStar names) not linked" c30498_6e5j 1 17 2 11 1 "Not handling restraint 11, item 3, resonance(s) ' .9.HG2' (nmrStar names) not linked" c30498_6e5j 1 18 2 11 1 "Not handling restraint 11, item 4, resonance(s) ' .9.HG1' (nmrStar names) not linked" c30498_6e5j 1 19 2 13 1 "Not handling restraint 13, item 2, resonance(s) ' .3.HE2' (nmrStar names) not linked" c30498_6e5j 1 20 2 13 1 "Not handling restraint 13, item 3, resonance(s) ' .3.HE1' (nmrStar names) not linked" c30498_6e5j 1 21 2 18 1 "Not handling restraint 18, item 2, resonance(s) ' .3.HA2' (nmrStar names) not linked" c30498_6e5j 1 22 2 18 1 "Not handling restraint 18, item 3, resonance(s) ' .3.HA1' (nmrStar names) not linked" c30498_6e5j 1 23 2 18 1 "Not handling restraint 18, item 4, resonance(s) ' .9.HA2' (nmrStar names) not linked" c30498_6e5j 1 24 2 18 1 "Not handling restraint 18, item 5, resonance(s) ' .9.HA2' (nmrStar names) not linked" c30498_6e5j 1 25 2 18 1 "Not handling restraint 18, item 6, resonance(s) ' .9.HA1' (nmrStar names) not linked" c30498_6e5j 1 26 2 18 1 "Not handling restraint 18, item 7, resonance(s) ' .9.HA1' (nmrStar names) not linked" c30498_6e5j 1 27 2 19 1 "Not handling restraint 19, item 2, resonance(s) ' .3.HA2' (nmrStar names) not linked" c30498_6e5j 1 28 2 19 1 "Not handling restraint 19, item 3, resonance(s) ' .3.HA1' (nmrStar names) not linked" c30498_6e5j 1 29 2 19 1 "Not handling restraint 19, item 4, resonance(s) ' .9.HA2' (nmrStar names) not linked" c30498_6e5j 1 30 2 19 1 "Not handling restraint 19, item 5, resonance(s) ' .9.HA1' (nmrStar names) not linked" c30498_6e5j 1 31 2 20 1 "Not handling restraint 20, item 2, resonance(s) ' .6.HA2' (nmrStar names) not linked" c30498_6e5j 1 32 2 20 1 "Not handling restraint 20, item 3, resonance(s) ' .6.HA1' (nmrStar names) not linked" c30498_6e5j 1 33 2 20 1 "Not handling restraint 20, item 4, resonance(s) ' .6.HA2' (nmrStar names) not linked" c30498_6e5j 1 34 2 20 1 "Not handling restraint 20, item 5, resonance(s) ' .6.HA1' (nmrStar names) not linked" c30498_6e5j 1 35 2 33 1 "Not handling restraint 33, item 2, resonance(s) ' .6.HN' (nmrStar names) not linked" c30498_6e5j 1 36 2 33 1 "Not handling restraint 33, item 3, resonance(s) ' .6.HN' (nmrStar names) not linked" c30498_6e5j 1 37 2 37 1 "Not handling restraint 37, item 2, resonance(s) ' .25.HM1' (nmrStar names) not linked" c30498_6e5j 1 38 2 37 1 "Not handling restraint 37, item 3, resonance(s) ' .25.HM2' (nmrStar names) not linked" c30498_6e5j 1 39 2 37 1 "Not handling restraint 37, item 4, resonance(s) ' .25.HM3' (nmrStar names) not linked" c30498_6e5j 1 40 2 37 1 "Not handling restraint 37, item 5, resonance(s) ' .25.HM1' (nmrStar names) not linked" c30498_6e5j 1 41 2 37 1 "Not handling restraint 37, item 6, resonance(s) ' .25.HM2' (nmrStar names) not linked" c30498_6e5j 1 42 2 37 1 "Not handling restraint 37, item 7, resonance(s) ' .25.HM3' (nmrStar names) not linked" c30498_6e5j 1 43 2 49 1 "Not handling restraint 49, item 2, resonance(s) ' .9.HD2' (nmrStar names) not linked" c30498_6e5j 1 44 2 49 1 "Not handling restraint 49, item 3, resonance(s) ' .9.HD1' (nmrStar names) not linked" c30498_6e5j 1 45 2 49 1 "Not handling restraint 49, item 4, resonance(s) ' .12.HB22' (nmrStar names) not linked" c30498_6e5j 1 46 2 49 1 "Not handling restraint 49, item 5, resonance(s) ' .12.HB21' (nmrStar names) not linked" c30498_6e5j 1 47 2 49 1 "Not handling restraint 49, item 6, resonance(s) ' .12.HB23' (nmrStar names) not linked" c30498_6e5j 1 48 2 64 1 "Not handling restraint 64, item 4, resonance(s) ' .3.HA2' (nmrStar names) not linked" c30498_6e5j 1 49 2 64 1 "Not handling restraint 64, item 5, resonance(s) ' .3.HA1' (nmrStar names) not linked" c30498_6e5j 1 50 2 78 1 "Not handling restraint 78, item 5, resonance(s) ' .25.HM1' (nmrStar names) not linked" c30498_6e5j 1 51 2 78 1 "Not handling restraint 78, item 6, resonance(s) ' .25.HM2' (nmrStar names) not linked" c30498_6e5j 1 52 2 78 1 "Not handling restraint 78, item 7, resonance(s) ' .25.HM3' (nmrStar names) not linked" c30498_6e5j 1 53 2 85 1 "Not handling restraint 85, item 1, resonance(s) ' .3.HD1' (nmrStar names),' .3.HN' (nmrStar names) not linked" c30498_6e5j 1 54 2 86 1 "Not handling restraint 86, item 1, resonance(s) ' .9.HN' (nmrStar names) not linked" c30498_6e5j 1 55 2 89 1 "Not handling restraint 89, item 2, resonance(s) ' .9.HD2' (nmrStar names),' .9.HN' (nmrStar names) not linked" c30498_6e5j 1 56 2 89 1 "Not handling restraint 89, item 3, resonance(s) ' .9.HD1' (nmrStar names),' .9.HN' (nmrStar names) not linked" c30498_6e5j 1 57 2 90 1 "Not handling restraint 90, item 1, resonance(s) ' .3.HN' (nmrStar names),' .3.HD2' (nmrStar names) not linked" c30498_6e5j 1 58 2 91 1 "Not handling restraint 91, item 2, resonance(s) ' .12.HB22' (nmrStar names) not linked" c30498_6e5j 1 59 2 91 1 "Not handling restraint 91, item 3, resonance(s) ' .12.HB21' (nmrStar names) not linked" c30498_6e5j 1 60 2 91 1 "Not handling restraint 91, item 4, resonance(s) ' .12.HB23' (nmrStar names) not linked" c30498_6e5j 1 61 2 92 1 "Not handling restraint 92, item 2, resonance(s) ' .12.HB22' (nmrStar names) not linked" c30498_6e5j 1 62 2 92 1 "Not handling restraint 92, item 3, resonance(s) ' .12.HB21' (nmrStar names) not linked" c30498_6e5j 1 63 2 92 1 "Not handling restraint 92, item 4, resonance(s) ' .12.HB23' (nmrStar names) not linked" c30498_6e5j 1 64 2 93 1 "Not handling restraint 93, item 2, resonance(s) ' .12.HB22' (nmrStar names) not linked" c30498_6e5j 1 65 2 93 1 "Not handling restraint 93, item 3, resonance(s) ' .12.HB21' (nmrStar names) not linked" c30498_6e5j 1 66 2 93 1 "Not handling restraint 93, item 4, resonance(s) ' .12.HB23' (nmrStar names) not linked" c30498_6e5j 1 67 2 94 1 "Not handling restraint 94, item 2, resonance(s) ' .12.HB22' (nmrStar names) not linked" c30498_6e5j 1 68 2 94 1 "Not handling restraint 94, item 3, resonance(s) ' .12.HB21' (nmrStar names) not linked" c30498_6e5j 1 69 2 94 1 "Not handling restraint 94, item 4, resonance(s) ' .12.HB23' (nmrStar names) not linked" c30498_6e5j 1 70 2 95 1 "Not handling restraint 95, item 2, resonance(s) ' .12.HB22' (nmrStar names) not linked" c30498_6e5j 1 71 2 95 1 "Not handling restraint 95, item 3, resonance(s) ' .12.HB21' (nmrStar names) not linked" c30498_6e5j 1 72 2 95 1 "Not handling restraint 95, item 4, resonance(s) ' .12.HB23' (nmrStar names) not linked" c30498_6e5j 1 73 2 96 1 "Not handling restraint 96, item 2, resonance(s) ' .12.HB22' (nmrStar names) not linked" c30498_6e5j 1 74 2 96 1 "Not handling restraint 96, item 3, resonance(s) ' .12.HB21' (nmrStar names) not linked" c30498_6e5j 1 75 2 96 1 "Not handling restraint 96, item 4, resonance(s) ' .12.HB23' (nmrStar names) not linked" c30498_6e5j 1 76 2 99 1 "Not handling restraint 99, item 2, resonance(s) ' .12.HB12' (nmrStar names) not linked" c30498_6e5j 1 77 2 99 1 "Not handling restraint 99, item 3, resonance(s) ' .12.HB11' (nmrStar names) not linked" c30498_6e5j 1 78 2 99 1 "Not handling restraint 99, item 4, resonance(s) ' .12.HB13' (nmrStar names) not linked" c30498_6e5j 1 79 2 100 1 "Not handling restraint 100, item 2, resonance(s) ' .12.HB12' (nmrStar names) not linked" c30498_6e5j 1 80 2 100 1 "Not handling restraint 100, item 3, resonance(s) ' .12.HB11' (nmrStar names) not linked" c30498_6e5j 1 81 2 100 1 "Not handling restraint 100, item 4, resonance(s) ' .12.HB13' (nmrStar names) not linked" c30498_6e5j 1 82 2 101 1 "Not handling restraint 101, item 2, resonance(s) ' .12.HB12' (nmrStar names) not linked" c30498_6e5j 1 83 2 101 1 "Not handling restraint 101, item 3, resonance(s) ' .12.HB11' (nmrStar names) not linked" c30498_6e5j 1 84 2 101 1 "Not handling restraint 101, item 4, resonance(s) ' .12.HB13' (nmrStar names) not linked" c30498_6e5j 1 85 2 102 1 "Not handling restraint 102, item 2, resonance(s) ' .12.HB12' (nmrStar names) not linked" c30498_6e5j 1 86 2 102 1 "Not handling restraint 102, item 3, resonance(s) ' .12.HB11' (nmrStar names) not linked" c30498_6e5j 1 87 2 102 1 "Not handling restraint 102, item 4, resonance(s) ' .12.HB13' (nmrStar names) not linked" c30498_6e5j 1 88 2 103 1 "Not handling restraint 103, item 2, resonance(s) ' .12.HB12' (nmrStar names) not linked" c30498_6e5j 1 89 2 103 1 "Not handling restraint 103, item 3, resonance(s) ' .12.HB11' (nmrStar names) not linked" c30498_6e5j 1 90 2 103 1 "Not handling restraint 103, item 4, resonance(s) ' .12.HB13' (nmrStar names) not linked" c30498_6e5j 1 91 2 108 1 "Not handling restraint 108, item 2, resonance(s) ' .9.HG2' (nmrStar names),' .9.HN' (nmrStar names) not linked" c30498_6e5j 1 92 2 108 1 "Not handling restraint 108, item 3, resonance(s) ' .9.HG1' (nmrStar names),' .9.HN' (nmrStar names) not linked" c30498_6e5j 1 93 2 111 1 "Not handling restraint 111, item 2, resonance(s) ' .3.HN' (nmrStar names),' .3.HG2' (nmrStar names) not linked" c30498_6e5j 1 94 2 111 1 "Not handling restraint 111, item 3, resonance(s) ' .3.HN' (nmrStar names),' .3.HG1' (nmrStar names) not linked" c30498_6e5j 1 95 2 113 1 "Not handling restraint 113, item 2, resonance(s) ' .3.HG2' (nmrStar names) not linked" c30498_6e5j 1 96 2 113 1 "Not handling restraint 113, item 3, resonance(s) ' .3.HG1' (nmrStar names) not linked" c30498_6e5j 1 97 2 129 1 "Not handling restraint 129, item 1, resonance(s) ' .6.HN' (nmrStar names),' .6.HG1' (nmrStar names) not linked" c30498_6e5j 1 98 2 133 1 "Not handling restraint 133, item 1, resonance(s) ' .9.HN' (nmrStar names) not linked" c30498_6e5j 1 99 2 137 1 "Not handling restraint 137, item 1, resonance(s) ' .6.HN' (nmrStar names) not linked" c30498_6e5j 1 100 2 139 1 "Not handling restraint 139, item 1, resonance(s) ' .6.HN' (nmrStar names) not linked" c30498_6e5j 1 101 2 141 1 "Not handling restraint 141, item 1, resonance(s) ' .9.HN' (nmrStar names) not linked" c30498_6e5j 1 102 2 148 1 "Not handling restraint 148, item 1, resonance(s) ' .6.HG2' (nmrStar names) not linked" c30498_6e5j 1 103 2 150 1 "Not handling restraint 150, item 1, resonance(s) ' .6.HN' (nmrStar names),' .6.HG2' (nmrStar names) not linked" c30498_6e5j 1 104 2 160 1 "Not handling restraint 160, item 2, resonance(s) ' .25.HM1' (nmrStar names) not linked" c30498_6e5j 1 105 2 160 1 "Not handling restraint 160, item 3, resonance(s) ' .25.HM2' (nmrStar names) not linked" c30498_6e5j 1 106 2 160 1 "Not handling restraint 160, item 4, resonance(s) ' .25.HM3' (nmrStar names) not linked" c30498_6e5j 1 107 2 174 1 "Not handling restraint 174, item 1, resonance(s) ' .6.HD1' (nmrStar names) not linked" c30498_6e5j 1 108 2 175 1 "Not handling restraint 175, item 1, resonance(s) ' .6.HN' (nmrStar names),' .6.HD1' (nmrStar names) not linked" c30498_6e5j 1 109 2 181 1 "Not handling restraint 181, item 1, resonance(s) ' .6.HD2' (nmrStar names) not linked" c30498_6e5j 1 110 2 182 1 "Not handling restraint 182, item 1, resonance(s) ' .6.HN' (nmrStar names),' .6.HD2' (nmrStar names) not linked" c30498_6e5j 1 111 2 183 1 "Not handling restraint 183, item 2, resonance(s) ' .9.HA2' (nmrStar names) not linked" c30498_6e5j 1 112 2 183 1 "Not handling restraint 183, item 3, resonance(s) ' .9.HA1' (nmrStar names) not linked" c30498_6e5j 1 113 2 184 1 "Not handling restraint 184, item 2, resonance(s) ' .9.HA2' (nmrStar names),' .9.HN' (nmrStar names) not linked" c30498_6e5j 1 114 2 184 1 "Not handling restraint 184, item 3, resonance(s) ' .9.HA1' (nmrStar names),' .9.HN' (nmrStar names) not linked" c30498_6e5j 1 115 2 185 1 "Not handling restraint 185, item 2, resonance(s) ' .9.HA2' (nmrStar names) not linked" c30498_6e5j 1 116 2 185 1 "Not handling restraint 185, item 3, resonance(s) ' .9.HA1' (nmrStar names) not linked" c30498_6e5j 1 117 2 187 1 "Not handling restraint 187, item 2, resonance(s) ' .9.HA2' (nmrStar names) not linked" c30498_6e5j 1 118 2 187 1 "Not handling restraint 187, item 3, resonance(s) ' .9.HA1' (nmrStar names) not linked" c30498_6e5j 1 119 2 189 1 "Not handling restraint 189, item 2, resonance(s) ' .3.HA2' (nmrStar names),' .3.HN' (nmrStar names) not linked" c30498_6e5j 1 120 2 189 1 "Not handling restraint 189, item 3, resonance(s) ' .3.HA1' (nmrStar names),' .3.HN' (nmrStar names) not linked" c30498_6e5j 1 121 2 190 1 "Not handling restraint 190, item 2, resonance(s) ' .3.HA2' (nmrStar names) not linked" c30498_6e5j 1 122 2 190 1 "Not handling restraint 190, item 3, resonance(s) ' .3.HA1' (nmrStar names) not linked" c30498_6e5j 1 123 2 191 1 "Not handling restraint 191, item 2, resonance(s) ' .3.HA2' (nmrStar names) not linked" c30498_6e5j 1 124 2 191 1 "Not handling restraint 191, item 3, resonance(s) ' .3.HA2' (nmrStar names) not linked" c30498_6e5j 1 125 2 191 1 "Not handling restraint 191, item 4, resonance(s) ' .3.HA1' (nmrStar names) not linked" c30498_6e5j 1 126 2 191 1 "Not handling restraint 191, item 5, resonance(s) ' .3.HA1' (nmrStar names) not linked" c30498_6e5j 1 127 2 192 1 "Not handling restraint 192, item 2, resonance(s) ' .6.HA2' (nmrStar names) not linked" c30498_6e5j 1 128 2 192 1 "Not handling restraint 192, item 3, resonance(s) ' .6.HA1' (nmrStar names) not linked" c30498_6e5j 1 129 2 193 1 "Not handling restraint 193, item 2, resonance(s) ' .6.HA2' (nmrStar names),' .6.HN' (nmrStar names) not linked" c30498_6e5j 1 130 2 193 1 "Not handling restraint 193, item 3, resonance(s) ' .6.HA1' (nmrStar names),' .6.HN' (nmrStar names) not linked" c30498_6e5j 1 131 2 194 1 "Not handling restraint 194, item 2, resonance(s) ' .6.HA2' (nmrStar names) not linked" c30498_6e5j 1 132 2 194 1 "Not handling restraint 194, item 3, resonance(s) ' .6.HA1' (nmrStar names) not linked" c30498_6e5j 1 133 2 209 1 "Not handling restraint 209, item 2, resonance(s) ' .3.HN' (nmrStar names) not linked" c30498_6e5j 1 134 2 209 1 "Not handling restraint 209, item 3, resonance(s) ' .3.HN' (nmrStar names) not linked" c30498_6e5j 1 135 2 224 1 "Not handling restraint 224, item 1, resonance(s) ' .28.HN1' (nmrStar names) not linked" c30498_6e5j 1 136 2 225 1 "Not handling restraint 225, item 1, resonance(s) ' .28.HN2' (nmrStar names) not linked" c30498_6e5j 1 137 2 237 1 "Not handling restraint 237, item 2, resonance(s) ' .3.HN' (nmrStar names) not linked" c30498_6e5j 1 138 2 237 1 "Not handling restraint 237, item 3, resonance(s) ' .3.HN' (nmrStar names) not linked" c30498_6e5j 1 139 2 250 1 "Not handling restraint 250, item 1, resonance(s) ' .28.HN1' (nmrStar names) not linked" c30498_6e5j 1 140 2 252 1 "Not handling restraint 252, item 1, resonance(s) ' .28.HN2' (nmrStar names) not linked" c30498_6e5j 1 141 2 253 1 "Not handling restraint 253, item 2, resonance(s) ' .25.HM1' (nmrStar names) not linked" c30498_6e5j 1 142 2 253 1 "Not handling restraint 253, item 3, resonance(s) ' .25.HM2' (nmrStar names) not linked" c30498_6e5j 1 143 2 253 1 "Not handling restraint 253, item 4, resonance(s) ' .25.HM3' (nmrStar names) not linked" c30498_6e5j 1 144 2 254 1 "Not handling restraint 254, item 3, resonance(s) ' .25.HM1' (nmrStar names) not linked" c30498_6e5j 1 145 2 254 1 "Not handling restraint 254, item 6, resonance(s) ' .25.HM2' (nmrStar names) not linked" c30498_6e5j 1 146 2 254 1 "Not handling restraint 254, item 9, resonance(s) ' .25.HM3' (nmrStar names) not linked" c30498_6e5j 1 147 2 256 1 "Not handling restraint 256, item 2, resonance(s) ' .25.HM1' (nmrStar names) not linked" c30498_6e5j 1 148 2 256 1 "Not handling restraint 256, item 3, resonance(s) ' .25.HM2' (nmrStar names) not linked" c30498_6e5j 1 149 2 256 1 "Not handling restraint 256, item 4, resonance(s) ' .25.HM3' (nmrStar names) not linked" c30498_6e5j 1 150 2 257 1 "Not handling restraint 257, item 2, resonance(s) ' .25.HM1' (nmrStar names) not linked" c30498_6e5j 1 151 2 257 1 "Not handling restraint 257, item 3, resonance(s) ' .25.HM1' (nmrStar names) not linked" c30498_6e5j 1 152 2 257 1 "Not handling restraint 257, item 4, resonance(s) ' .25.HM2' (nmrStar names) not linked" c30498_6e5j 1 153 2 257 1 "Not handling restraint 257, item 5, resonance(s) ' .25.HM2' (nmrStar names) not linked" c30498_6e5j 1 154 2 257 1 "Not handling restraint 257, item 6, resonance(s) ' .25.HM3' (nmrStar names) not linked" c30498_6e5j 1 155 2 257 1 "Not handling restraint 257, item 7, resonance(s) ' .25.HM3' (nmrStar names) not linked" c30498_6e5j 1 156 2 259 1 "Not handling restraint 259, item 3, resonance(s) ' .25.HM1' (nmrStar names) not linked" c30498_6e5j 1 157 2 259 1 "Not handling restraint 259, item 6, resonance(s) ' .25.HM2' (nmrStar names) not linked" c30498_6e5j 1 158 2 259 1 "Not handling restraint 259, item 9, resonance(s) ' .25.HM3' (nmrStar names) not linked" c30498_6e5j 1 159 2 264 1 "Not handling restraint 264, item 1, resonance(s) ' .28.HN1' (nmrStar names) not linked" c30498_6e5j 1 160 2 289 1 "Not handling restraint 289, item 1, resonance(s) ' .9.HN' (nmrStar names) not linked" c30498_6e5j 1 161 2 291 1 "Not handling restraint 291, item 1, resonance(s) ' .6.HN' (nmrStar names) not linked" c30498_6e5j 1 162 2 293 1 "Not handling restraint 293, item 1, resonance(s) ' .9.HN' (nmrStar names) not linked" c30498_6e5j 1 163 2 294 1 "Not handling restraint 294, item 1, resonance(s) ' .3.HN' (nmrStar names) not linked" c30498_6e5j 1 164 2 300 1 "Not handling restraint 300, item 2, resonance(s) ' .3.HA2' (nmrStar names) not linked" c30498_6e5j 1 165 2 300 1 "Not handling restraint 300, item 3, resonance(s) ' .3.HA1' (nmrStar names) not linked" c30498_6e5j 1 166 2 318 1 "Not handling restraint 318, item 1, resonance(s) ' .3.HN' (nmrStar names) not linked" c30498_6e5j 1 167 2 350 1 "Not handling restraint 350, item 1, resonance(s) ' .28.HN1' (nmrStar names) not linked" c30498_6e5j 1 168 2 351 1 "Not handling restraint 351, item 1, resonance(s) ' .28.HN2' (nmrStar names) not linked" c30498_6e5j 1 169 2 395 1 "Not handling restraint 395, item 2, resonance(s) ' .25.HM1' (nmrStar names) not linked" c30498_6e5j 1 170 2 395 1 "Not handling restraint 395, item 3, resonance(s) ' .25.HM2' (nmrStar names) not linked" c30498_6e5j 1 171 2 395 1 "Not handling restraint 395, item 4, resonance(s) ' .25.HM3' (nmrStar names) not linked" c30498_6e5j 1 172 2 408 1 "Not handling restraint 408, item 1, resonance(s) ' .28.HN1' (nmrStar names),' .28.HN2' (nmrStar names) not linked" c30498_6e5j 1 173 2 413 1 "Not handling restraint 413, item 1, resonance(s) ' .28.HN2' (nmrStar names) not linked" c30498_6e5j 1 174 2 414 1 "Not handling restraint 414, item 1, resonance(s) ' .9.HN' (nmrStar names) not linked" c30498_6e5j 1 175 2 415 1 "Not handling restraint 415, item 1, resonance(s) ' .9.HN' (nmrStar names) not linked" c30498_6e5j 1 176 2 416 1 "Not handling restraint 416, item 1, resonance(s) ' .6.HN' (nmrStar names) not linked" c30498_6e5j 1 177 2 419 1 "Not handling restraint 419, item 1, resonance(s) ' .3.HN' (nmrStar names) not linked" c30498_6e5j 1 178 2 420 1 "Not handling restraint 420, item 1, resonance(s) ' .3.HN' (nmrStar names) not linked" c30498_6e5j 1 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_4 _Gen_dist_constraint_list.Entry_ID c30498_6e5j _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 4 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 . . . . c30498_6e5j 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 2 2 ASP O O . . . 1 1 6 6 B3E N N . . . . . 2.9 2.7 3.1 . . . . . A . 2 ASP O . . A . 6 B3E N . . . 2 . O . . . . . 6 . N . . c30498_6e5j 2 2 1 . . 1 1 7 7 LEU H H . . . 1 1 3 3 B3K O O . . . . . 1.9 1.8 2.0 . . . . . A . 7 LEU H . . A . 3 B3K O . . . 7 . HN . . . . . 3 . O . . c30498_6e5j 2 3 1 . . 1 1 3 3 B3K O O . . . 1 1 7 7 LEU N N . . . . . 2.9 2.7 3.1 . . . . . A . 3 B3K O . . A . 7 LEU N . . . 3 . O . . . . . 7 . N . . c30498_6e5j 2 4 1 . . 1 1 8 8 LYS H H . . . 1 1 4 4 CYS O O . . . . . 1.9 1.8 2.0 . . . . . A . 8 LYS H . . A . 4 CYS O . . . 8 . HN . . . . . 4 . O . . c30498_6e5j 2 5 1 . . 1 1 4 4 CYS O O . . . 1 1 8 8 LYS N N . . . . . 2.9 2.7 3.1 . . . . . A . 4 CYS O . . A . 8 LYS N . . . 4 . O . . . . . 8 . N . . c30498_6e5j 2 6 1 . . 1 1 5 5 LYS O O . . . 1 1 9 9 B3K N N . . . . . 2.9 2.7 3.1 . . . . . A . 5 LYS O . . A . 9 B3K N . . . 5 . O . . . . . 9 . N . . c30498_6e5j 2 7 1 . . 1 1 10 10 ARG H H . . . 1 1 6 6 B3E O O . . . . . 1.9 1.8 2.0 . . . . . A . 10 ARG H . . A . 6 B3E O . . . 10 . HN . . . . . 6 . O . . c30498_6e5j 2 8 1 . . 1 1 6 6 B3E O O . . . 1 1 10 10 ARG N N . . . . . 2.9 2.7 3.1 . . . . . A . 6 B3E O . . A . 10 ARG N . . . 6 . O . . . . . 10 . N . . c30498_6e5j 2 9 1 . . 1 1 14 14 CYS H H . . . 1 1 11 11 TYR O O . . . . . 1.9 1.8 2.0 . . . . . A . 14 CYS H . . A . 11 TYR O . . . 14 . HN . . . . . 11 . O . . c30498_6e5j 2 10 1 . . 1 1 11 11 TYR O O . . . 1 1 14 14 CYS N N . . . . . 2.9 2.7 3.1 . . . . . A . 11 TYR O . . A . 14 CYS N . . . 11 . O . . . . . 14 . N . . c30498_6e5j 2 11 1 . . 1 1 22 22 ARG H H . . . 1 1 19 19 ASP O O . . . . . 1.9 1.8 2.0 . . . . . A . 22 ARG H . . A . 19 ASP O . . . 22 . HN . . . . . 19 . O . . c30498_6e5j 2 12 1 . . 1 1 19 19 ASP O O . . . 1 1 22 22 ARG N N . . . . . 2.9 2.7 3.1 . . . . . A . 19 ASP O . . A . 22 ARG N . . . 19 . O . . . . . 22 . N . . c30498_6e5j 2 13 1 . . 1 1 19 19 ASP H H . . . 1 1 22 22 ARG O O . . . . . 1.9 1.8 2.0 . . . . . A . 19 ASP H . . A . 22 ARG O . . . 19 . HN . . . . . 22 . O . . c30498_6e5j 2 14 1 . . 1 1 22 22 ARG O O . . . 1 1 19 19 ASP N N . . . . . 2.9 2.7 3.1 . . . . . A . 22 ARG O . . A . 19 ASP N . . . 22 . O . . . . . 19 . N . . c30498_6e5j 2 15 1 . . 1 1 24 24 GLU H H . . . 1 1 17 17 ARG O O . . . . . 1.9 1.8 2.0 . . . . . A . 24 GLU H . . A . 17 ARG O . . . 24 . HN . . . . . 17 . O . . c30498_6e5j 2 16 1 . . 1 1 17 17 ARG O O . . . 1 1 24 24 GLU N N . . . . . 2.9 2.7 3.1 . . . . . A . 17 ARG O . . A . 24 GLU N . . . 17 . O . . . . . 24 . N . . c30498_6e5j 2 17 1 . . 1 1 17 17 ARG H H . . . 1 1 24 24 GLU O O . . . . . 1.9 1.8 2.0 . . . . . A . 17 ARG H . . A . 24 GLU O . . . 17 . HN . . . . . 24 . O . . c30498_6e5j 2 18 1 . . 1 1 24 24 GLU O O . . . 1 1 17 17 ARG N N . . . . . 2.9 2.7 3.1 . . . . . A . 24 GLU O . . A . 17 ARG N . . . 24 . O . . . . . 17 . N . . c30498_6e5j 2 19 1 . . 1 1 26 26 HIS H H . . . 1 1 15 15 GLU O O . . . . . 1.9 1.8 2.0 . . . . . A . 26 HIS H . . A . 15 GLU O . . . 26 . HN . . . . . 15 . O . . c30498_6e5j 2 20 1 . . 1 1 15 15 GLU O O . . . 1 1 26 26 HIS N N . . . . . 2.9 2.7 3.1 . . . . . A . 15 GLU O . . A . 26 HIS N . . . 15 . O . . . . . 26 . N . . c30498_6e5j 2 21 1 . . 1 1 15 15 GLU H H . . . 1 1 26 26 HIS O O . . . . . 1.9 1.8 2.0 . . . . . A . 15 GLU H . . A . 26 HIS O . . . 15 . HN . . . . . 26 . O . . c30498_6e5j 2 22 1 . . 1 1 26 26 HIS O O . . . 1 1 15 15 GLU N N . . . . . 2.9 2.7 3.1 . . . . . A . 26 HIS O . . A . 15 GLU N . . . 26 . O . . . . . 15 . N . . c30498_6e5j 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 4: wsh2001_hbonds_v2.tbl' 1 1 1 42 c30498_6e5j 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 helix 2 1 2 7 c30498_6e5j 2 2 'helix to hairpin turn' 13 1 13 23 c30498_6e5j 2 3 hairpin 16 1 16 9 c30498_6e5j 2 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 4 1 1 "Not handling restraint 1, item 1, resonance(s) ' .6.HN' (nmrStar names) not linked" c30498_6e5j 2 2 4 7 1 "Not handling restraint 7, item 1, resonance(s) ' .9.HN' (nmrStar names) not linked" c30498_6e5j 2 stop_ save_ save_CNS/XPLOR_dihedral_3 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Sf_framecode CNS/XPLOR_dihedral_3 _Torsion_angle_constraint_list.Entry_ID c30498_6e5j _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 3 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 . . . . c30498_6e5j 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 ASP C C . . 1 1 3 3 B3K N N . . 1 1 3 3 B3K CB C . . 1 1 3 3 B3K CA C . -160.0 -80.0 . . . A . 2 ASP C . . A . 3 B3K N . . A . 3 B3K CB . . A . 3 B3K CA . . . 2 . C . . . . . 3 . N . . . . . 3 . CB . . . . . 3 . CA . . c30498_6e5j 1 2 . . 1 1 3 3 B3K C C . . 1 1 4 4 CYS N N . . 1 1 4 4 CYS CA C . . 1 1 4 4 CYS C C . -90.0 -40.0 . . . A . 3 B3K C . . A . 4 CYS N . . A . 4 CYS CA . . A . 4 CYS C . . . 3 . C . . . . . 4 . N . . . . . 4 . CA . . . . . 4 . C . . c30498_6e5j 1 3 . . 1 1 5 5 LYS C C . . 1 1 6 6 B3E N N . . 1 1 6 6 B3E CB C . . 1 1 6 6 B3E CA C . -160.0 -80.0 . . . A . 5 LYS C . . A . 6 B3E N . . A . 6 B3E CB . . A . 6 B3E CA . . . 5 . C . . . . . 6 . N . . . . . 6 . CB . . . . . 6 . CA . . c30498_6e5j 1 4 . . 1 1 6 6 B3E C C . . 1 1 7 7 LEU N N . . 1 1 7 7 LEU CA C . . 1 1 7 7 LEU C C . -90.0 -40.0 . . . A . 6 B3E C . . A . 7 LEU N . . A . 7 LEU CA . . A . 7 LEU C . . . 6 . C . . . . . 7 . N . . . . . 7 . CA . . . . . 7 . C . . c30498_6e5j 1 5 . . 1 1 9 9 B3K C C . . 1 1 10 10 ARG N N . . 1 1 10 10 ARG CA C . . 1 1 10 10 ARG C C . -90.0 -40.0 . . . A . 9 B3K C . . A . 10 ARG N . . A . 10 ARG CA . . A . 10 ARG C . . . 9 . C . . . . . 10 . N . . . . . 10 . CA . . . . . 10 . C . . c30498_6e5j 1 6 . . 1 1 10 10 ARG C C . . 1 1 11 11 TYR N N . . 1 1 11 11 TYR CA C . . 1 1 11 11 TYR C C . -160.0 -80.0 . . . A . 10 ARG C . . A . 11 TYR N . . A . 11 TYR CA . . A . 11 TYR C . . . 10 . C . . . . . 11 . N . . . . . 11 . CA . . . . . 11 . C . . c30498_6e5j 1 7 . . 1 1 13 13 GLY C C . . 1 1 14 14 CYS N N . . 1 1 14 14 CYS CA C . . 1 1 14 14 CYS C C . -160.0 -80.0 . . . A . 13 GLY C . . A . 14 CYS N . . A . 14 CYS CA . . A . 14 CYS C . . . 13 . C . . . . . 14 . N . . . . . 14 . CA . . . . . 14 . C . . c30498_6e5j 1 8 . . 1 1 16 16 MVA C C . . 1 1 17 17 ARG N N . . 1 1 17 17 ARG CA C . . 1 1 17 17 ARG C C . -160.0 -80.0 . . . A . 16 MVA C . . A . 17 ARG N . . A . 17 ARG CA . . A . 17 ARG C . . . 16 . C . . . . . 17 . N . . . . . 17 . CA . . . . . 17 . C . . c30498_6e5j 1 9 . . 1 1 17 17 ARG C C . . 1 1 18 18 CYS N N . . 1 1 18 18 CYS CA C . . 1 1 18 18 CYS C C . -160.0 -80.0 . . . A . 17 ARG C . . A . 18 CYS N . . A . 18 CYS CA . . A . 18 CYS C . . . 17 . C . . . . . 18 . N . . . . . 18 . CA . . . . . 18 . C . . c30498_6e5j 1 10 . . 1 1 18 18 CYS C C . . 1 1 19 19 ASP N N . . 1 1 19 19 ASP CA C . . 1 1 19 19 ASP C C . -160.0 -80.0 . . . A . 18 CYS C . . A . 19 ASP N . . A . 19 ASP CA . . A . 19 ASP C . . . 18 . C . . . . . 19 . N . . . . . 19 . CA . . . . . 19 . C . . c30498_6e5j 1 11 . . 1 1 22 22 ARG C C . . 1 1 23 23 TYR N N . . 1 1 23 23 TYR CA C . . 1 1 23 23 TYR C C . -160.0 -80.0 . . . A . 22 ARG C . . A . 23 TYR N . . A . 23 TYR CA . . A . 23 TYR C . . . 22 . C . . . . . 23 . N . . . . . 23 . CA . . . . . 23 . C . . c30498_6e5j 1 12 . . 1 1 23 23 TYR C C . . 1 1 24 24 GLU N N . . 1 1 24 24 GLU CA C . . 1 1 24 24 GLU C C . -160.0 -80.0 . . . A . 23 TYR C . . A . 24 GLU N . . A . 24 GLU CA . . A . 24 GLU C . . . 23 . C . . . . . 24 . N . . . . . 24 . CA . . . . . 24 . C . . c30498_6e5j 1 13 . . 1 1 25 25 MVA C C . . 1 1 26 26 HIS N N . . 1 1 26 26 HIS CA C . . 1 1 26 26 HIS C C . -160.0 -80.0 . . . A . 25 MVA C . . A . 26 HIS N . . A . 26 HIS CA . . A . 26 HIS C . . . 25 . C . . . . . 26 . N . . . . . 26 . CA . . . . . 26 . C . . c30498_6e5j 1 14 . . 1 1 26 26 HIS C C . . 1 1 27 27 CYS N N . . 1 1 27 27 CYS CA C . . 1 1 27 27 CYS C C . -160.0 -80.0 . . . A . 26 HIS C . . A . 27 CYS N . . A . 27 CYS CA . . A . 27 CYS C . . . 26 . C . . . . . 27 . N . . . . . 27 . CA . . . . . 27 . C . . c30498_6e5j 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 b3K3 ; 2 1 4 6 c30498_6e5j 1 2 C4 8 1 8 4 c30498_6e5j 1 3 b3E6 12 1 12 6 c30498_6e5j 1 4 L7 16 1 16 4 c30498_6e5j 1 5 R10 20 1 20 5 c30498_6e5j 1 6 Y11 24 1 24 5 c30498_6e5j 1 7 C14 28 1 28 5 c30498_6e5j 1 8 R17 32 1 32 5 c30498_6e5j 1 9 C18 36 1 36 5 c30498_6e5j 1 10 D19 40 1 40 5 c30498_6e5j 1 11 Y23 44 1 44 5 c30498_6e5j 1 12 E24 48 1 48 5 c30498_6e5j 1 13 H26 52 1 52 5 c30498_6e5j 1 14 C27 56 1 56 5 c30498_6e5j 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 3: wsh2001_dihedrals.tbl' 1 1 1 42 c30498_6e5j 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 c30498_6e5j _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 DE NOVO PROTEIN 20-JUL-18 6E5J *TITLE HETEROGENEOUS-BACKBONE MIMICS OF A DESIGNED DISULFIDE-RICH PROTEIN: *TITLE 2 AIB TURN, BETA3 HELIX, N-METHYL HAIRPIN *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: DESIGNED PEPTIDE NC_HEE_D1: AIB TURN, BETA3 HELIX, N-METHYL *COMPND 3 HAIRPIN MUTANT; *COMPND 4 CHAIN: A; *COMPND 5 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT; *SOURCE 4 ORGANISM_TAXID: 32630 *KEYWDS HETEROGENEOUS BACKBONE FOLDAMER, DE NOVO PROTEIN *EXPDTA SOLUTION NMR *NUMMDL 10 *AUTHOR C.C.CABALTEJA,D.S.MIHALKO,W.S.HORNE *REVDAT 1 21-NOV-18 6E5J 0 ; save_