data_c30449_6cxr ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID c30449_6cxr _Entry.Title ; HRFLRH peptide NMR structure in the presence of Zn(II) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-04-03 _Entry.Accession_date 2018-04-03 _Entry.Last_release_date 2018-05-21 _Entry.Original_release_date 2018-05-21 _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' c30449_6cxr 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 D. Pires D. A.T. . . c30449_6cxr 2 L. Arake L. M.R. . . c30449_6cxr 3 L. Silva L. P. . . c30449_6cxr 4 A. Lopez-Castillo A. . . . c30449_6cxr 5 M. Prates M. V. . . c30449_6cxr 6 C. Nascimento C. J. . . c30449_6cxr 7 C. 'Bloch Jr' C. . . . c30449_6cxr stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Amphibian Skin Secretion' . c30449_6cxr 'CO2 Affinity' . c30449_6cxr 'METAL BINDING PROTEIN' . c30449_6cxr 'Metal Affinity' . c30449_6cxr stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 c30449_6cxr stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 28 c30449_6cxr '1H chemical shifts' 48 c30449_6cxr 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 . . 2018-06-26 . original BMRB . c30449_6cxr stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6CXR . c30449_6cxr stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID c30449_6cxr _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 29933027 _Citation.Full_citation . _Citation.Title ; A Previously Undescribed Hexapeptide His-Arg-Phe-Leu-Arg-His-NH2 From Amphibian Skin Secretion shows CO2 and Metal Biding Affinities ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Peptides _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 D. Pires D. A.T. . . c30449_6cxr 1 2 L. Arake L. M.R. . . c30449_6cxr 1 3 L. Silva L. P. . . c30449_6cxr 1 4 A. Lopez-Castillo A. . . . c30449_6cxr 1 5 M. Prates M. V. . . c30449_6cxr 1 6 C. Nascimento C. J. . . c30449_6cxr 1 7 C. 'Bloch Jr' C. . . . c30449_6cxr 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID c30449_6cxr _Assembly.ID 1 _Assembly.Name 'Hexapeptide HRFLRH' _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 . . . . . . c30449_6cxr 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID c30449_6cxr _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 ; HRFLRHX ; _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 7 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method syn _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 867.036 _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 . HIS . c30449_6cxr 1 2 . ARG . c30449_6cxr 1 3 . PHE . c30449_6cxr 1 4 . LEU . c30449_6cxr 1 5 . ARG . c30449_6cxr 1 6 . HIS . c30449_6cxr 1 7 . NH2 . c30449_6cxr 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 . HIS 1 1 c30449_6cxr 1 . ARG 2 2 c30449_6cxr 1 . PHE 3 3 c30449_6cxr 1 . LEU 4 4 c30449_6cxr 1 . ARG 5 5 c30449_6cxr 1 . HIS 6 6 c30449_6cxr 1 . NH2 7 7 c30449_6cxr 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 c30449_6cxr _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 . 536631 organism . 'Phyllomedusa centralis' 'Mato Grosso leaf frog' . . Eukaryota Metazoa Phyllomedusa centralis . . . . . . . . . . . . . c30449_6cxr 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 c30449_6cxr _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' . . . . . . . . . . . . . . . . c30449_6cxr 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_NH2 _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_NH2 _Chem_comp.Entry_ID c30449_6cxr _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 c30449_6cxr NH2 N SMILES ACDLabs 10.04 c30449_6cxr NH2 QGZKDVFQNNGYKY-UHFFFAOYAF InChIKey InChI 1.02b c30449_6cxr NH2 [NH2] SMILES CACTVS 3.341 c30449_6cxr NH2 [NH2] SMILES 'OpenEye OEToolkits' 1.5.0 c30449_6cxr NH2 [NH2] SMILES_CANONICAL CACTVS 3.341 c30449_6cxr NH2 [NH2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 c30449_6cxr 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 c30449_6cxr NH2 l^{2}-azane 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 c30449_6cxr 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 . c30449_6cxr NH2 HN1 HN1 HN1 1HN . H . . N 0 . . . 1 no no . . . . 9.517 . 8.769 . -7.044 . -0.385 -0.545 -0.771 2 . c30449_6cxr NH2 HN2 HN2 HN2 2HN . H . . N 0 . . . 1 no no . . . . 10.323 . 9.890 . -8.082 . 1.020 0.000 0.000 3 . c30449_6cxr 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 . c30449_6cxr NH2 2 . SING N HN2 no N 2 . c30449_6cxr NH2 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID c30449_6cxr _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '2 mM [U-13C] hexapeptide HRFLRH, 2 mM Zn(II), 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 HIS-ARG-PHE-LEU-ARG-HIS [U-13C] . . 1 $entity_1 . . 2 . . mM . . . . c30449_6cxr 1 2 Zn(II) 'natural abundance' . . . . . . 2 . . mM . . . . c30449_6cxr 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 c30449_6cxr _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' 2 . mM c30449_6cxr 1 pH 4.2 . pH c30449_6cxr 1 pressure 1 . atm c30449_6cxr 1 temperature 298 . K c30449_6cxr 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID c30449_6cxr _Software.ID 1 _Software.Type . _Software.Name CNS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . c30449_6cxr 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement c30449_6cxr 1 'structure calculation' c30449_6cxr 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID c30449_6cxr _Software.ID 2 _Software.Type . _Software.Name NMRView _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . c30449_6cxr 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' c30449_6cxr 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID c30449_6cxr _Software.ID 3 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . c30449_6cxr 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing c30449_6cxr 3 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 c30449_6cxr _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID c30449_6cxr _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 c30449_6cxr _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 AvanceIII . 800 . . . c30449_6cxr 1 2 NMR_spectrometer_2 Bruker AvanceIII . 800 . . . c30449_6cxr 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 c30449_6cxr _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . c30449_6cxr 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . c30449_6cxr 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . c30449_6cxr 1 4 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . c30449_6cxr 1 5 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . c30449_6cxr 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 c30449_6cxr _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 C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.25144953 . . . . . c30449_6cxr 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . c30449_6cxr 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 c30449_6cxr _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 1H-1H TOCSY' . . . c30449_6cxr 1 2 '2D 1H-13C HSQC aliphatic' . . . c30449_6cxr 1 3 '2D 1H-13C HSQC aromatic' . . . c30449_6cxr 1 4 '2D 1H-1H NOESY' . . . c30449_6cxr 1 5 '2D 1H-1H TOCSY' . . . c30449_6cxr 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 HIS HA H 1 4.233 . . . . . . . A 1 HIS HA . c30449_6cxr 1 2 . 1 1 1 1 HIS HB2 H 1 3.227 . . . . . . . A 1 HIS HB2 . c30449_6cxr 1 3 . 1 1 1 1 HIS HB3 H 1 3.227 . . . . . . . A 1 HIS HB3 . c30449_6cxr 1 4 . 1 1 1 1 HIS HD2 H 1 7.110 . . . . . . . A 1 HIS HD2 . c30449_6cxr 1 5 . 1 1 1 1 HIS HE1 H 1 8.399 . . . . . . . A 1 HIS HE1 . c30449_6cxr 1 6 . 1 1 1 1 HIS CA C 13 55.381 . . . . . . . A 1 HIS CA . c30449_6cxr 1 7 . 1 1 1 1 HIS CB C 13 29.240 . . . . . . . A 1 HIS CB . c30449_6cxr 1 8 . 1 1 1 1 HIS CD2 C 13 121.007 . . . . . . . A 1 HIS CD2 . c30449_6cxr 1 9 . 1 1 1 1 HIS CE1 C 13 137.585 . . . . . . . A 1 HIS CE1 . c30449_6cxr 1 10 . 1 1 2 2 ARG HA H 1 4.363 . . . . . . . A 2 ARG HA . c30449_6cxr 1 11 . 1 1 2 2 ARG HB2 H 1 1.705 . . . . . . . A 2 ARG HB2 . c30449_6cxr 1 12 . 1 1 2 2 ARG HB3 H 1 1.705 . . . . . . . A 2 ARG HB3 . c30449_6cxr 1 13 . 1 1 2 2 ARG HG2 H 1 1.571 . . . . . . . A 2 ARG HG2 . c30449_6cxr 1 14 . 1 1 2 2 ARG HG3 H 1 1.508 . . . . . . . A 2 ARG HG3 . c30449_6cxr 1 15 . 1 1 2 2 ARG HD2 H 1 3.161 . . . . . . . A 2 ARG HD2 . c30449_6cxr 1 16 . 1 1 2 2 ARG HD3 H 1 3.161 . . . . . . . A 2 ARG HD3 . c30449_6cxr 1 17 . 1 1 2 2 ARG HE H 1 7.135 . . . . . . . A 2 ARG HE . c30449_6cxr 1 18 . 1 1 2 2 ARG CA C 13 56.117 . . . . . . . A 2 ARG CA . c30449_6cxr 1 19 . 1 1 2 2 ARG CB C 13 31.078 . . . . . . . A 2 ARG CB . c30449_6cxr 1 20 . 1 1 2 2 ARG CG C 13 27.233 . . . . . . . A 2 ARG CG . c30449_6cxr 1 21 . 1 1 2 2 ARG CD C 13 43.621 . . . . . . . A 2 ARG CD . c30449_6cxr 1 22 . 1 1 3 3 PHE H H 1 8.611 . . . . . . . A 3 PHE H . c30449_6cxr 1 23 . 1 1 3 3 PHE HA H 1 4.644 . . . . . . . A 3 PHE HA . c30449_6cxr 1 24 . 1 1 3 3 PHE HB2 H 1 3.077 . . . . . . . A 3 PHE HB2 . c30449_6cxr 1 25 . 1 1 3 3 PHE HB3 H 1 3.012 . . . . . . . A 3 PHE HB3 . c30449_6cxr 1 26 . 1 1 3 3 PHE HD1 H 1 7.268 . . . . . . . A 3 PHE HD1 . c30449_6cxr 1 27 . 1 1 3 3 PHE HD2 H 1 7.268 . . . . . . . A 3 PHE HD2 . c30449_6cxr 1 28 . 1 1 3 3 PHE HE1 H 1 7.268 . . . . . . . A 3 PHE HE1 . c30449_6cxr 1 29 . 1 1 3 3 PHE HE2 H 1 7.268 . . . . . . . A 3 PHE HE2 . c30449_6cxr 1 30 . 1 1 3 3 PHE HZ H 1 7.336 . . . . . . . A 3 PHE HZ . c30449_6cxr 1 31 . 1 1 3 3 PHE CA C 13 54.939 . . . . . . . A 3 PHE CA . c30449_6cxr 1 32 . 1 1 3 3 PHE CB C 13 39.866 . . . . . . . A 3 PHE CB . c30449_6cxr 1 33 . 1 1 3 3 PHE CD1 C 13 131.793 . . . . . . . A 3 PHE CD1 . c30449_6cxr 1 34 . 1 1 3 3 PHE CD2 C 13 131.793 . . . . . . . A 3 PHE CD2 . c30449_6cxr 1 35 . 1 1 3 3 PHE CE1 C 13 129.909 . . . . . . . A 3 PHE CE1 . c30449_6cxr 1 36 . 1 1 3 3 PHE CE2 C 13 129.909 . . . . . . . A 3 PHE CE2 . c30449_6cxr 1 37 . 1 1 3 3 PHE CZ C 13 131.343 . . . . . . . A 3 PHE CZ . c30449_6cxr 1 38 . 1 1 4 4 LEU H H 1 8.263 . . . . . . . A 4 LEU H . c30449_6cxr 1 39 . 1 1 4 4 LEU HA H 1 4.343 . . . . . . . A 4 LEU HA . c30449_6cxr 1 40 . 1 1 4 4 LEU HB2 H 1 1.476 . . . . . . . A 4 LEU HB2 . c30449_6cxr 1 41 . 1 1 4 4 LEU HB3 H 1 1.476 . . . . . . . A 4 LEU HB3 . c30449_6cxr 1 42 . 1 1 4 4 LEU HG H 1 1.530 . . . . . . . A 4 LEU HG . c30449_6cxr 1 43 . 1 1 4 4 LEU HD11 H 1 0.819 . . . . . . . A 4 LEU HD11 . c30449_6cxr 1 44 . 1 1 4 4 LEU HD12 H 1 0.819 . . . . . . . A 4 LEU HD11 . c30449_6cxr 1 45 . 1 1 4 4 LEU HD13 H 1 0.819 . . . . . . . A 4 LEU HD11 . c30449_6cxr 1 46 . 1 1 4 4 LEU HD21 H 1 0.865 . . . . . . . A 4 LEU HD21 . c30449_6cxr 1 47 . 1 1 4 4 LEU HD22 H 1 0.865 . . . . . . . A 4 LEU HD21 . c30449_6cxr 1 48 . 1 1 4 4 LEU HD23 H 1 0.865 . . . . . . . A 4 LEU HD21 . c30449_6cxr 1 49 . 1 1 4 4 LEU CA C 13 54.807 . . . . . . . A 4 LEU CA . c30449_6cxr 1 50 . 1 1 4 4 LEU CB C 13 42.980 . . . . . . . A 4 LEU CB . c30449_6cxr 1 51 . 1 1 4 4 LEU CG C 13 26.776 . . . . . . . A 4 LEU CG . c30449_6cxr 1 52 . 1 1 4 4 LEU CD1 C 13 23.619 . . . . . . . A 4 LEU CD1 . c30449_6cxr 1 53 . 1 1 4 4 LEU CD2 C 13 24.867 . . . . . . . A 4 LEU CD2 . c30449_6cxr 1 54 . 1 1 5 5 ARG H H 1 8.292 . . . . . . . A 5 ARG H . c30449_6cxr 1 55 . 1 1 5 5 ARG HA H 1 4.229 . . . . . . . A 5 ARG HA . c30449_6cxr 1 56 . 1 1 5 5 ARG HB2 H 1 1.785 . . . . . . . A 5 ARG HB2 . c30449_6cxr 1 57 . 1 1 5 5 ARG HB3 H 1 1.723 . . . . . . . A 5 ARG HB3 . c30449_6cxr 1 58 . 1 1 5 5 ARG HG2 H 1 1.613 . . . . . . . A 5 ARG HG2 . c30449_6cxr 1 59 . 1 1 5 5 ARG HG3 H 1 1.571 . . . . . . . A 5 ARG HG3 . c30449_6cxr 1 60 . 1 1 5 5 ARG HD2 H 1 3.202 . . . . . . . A 5 ARG HD2 . c30449_6cxr 1 61 . 1 1 5 5 ARG HD3 H 1 3.202 . . . . . . . A 5 ARG HD3 . c30449_6cxr 1 62 . 1 1 5 5 ARG HE H 1 7.194 . . . . . . . A 5 ARG HE . c30449_6cxr 1 63 . 1 1 5 5 ARG CA C 13 55.381 . . . . . . . A 5 ARG CA . c30449_6cxr 1 64 . 1 1 5 5 ARG CB C 13 31.110 . . . . . . . A 5 ARG CB . c30449_6cxr 1 65 . 1 1 5 5 ARG CG C 13 27.338 . . . . . . . A 5 ARG CG . c30449_6cxr 1 66 . 1 1 5 5 ARG CD C 13 43.452 . . . . . . . A 5 ARG CD . c30449_6cxr 1 67 . 1 1 6 6 HIS H H 1 8.559 . . . . . . . A 6 HIS H . c30449_6cxr 1 68 . 1 1 6 6 HIS HA H 1 4.663 . . . . . . . A 6 HIS HA . c30449_6cxr 1 69 . 1 1 6 6 HIS HB2 H 1 3.247 . . . . . . . A 6 HIS HB2 . c30449_6cxr 1 70 . 1 1 6 6 HIS HB3 H 1 3.162 . . . . . . . A 6 HIS HB3 . c30449_6cxr 1 71 . 1 1 6 6 HIS HD2 H 1 7.306 . . . . . . . A 6 HIS HD2 . c30449_6cxr 1 72 . 1 1 6 6 HIS HE1 H 1 8.583 . . . . . . . A 6 HIS HE1 . c30449_6cxr 1 73 . 1 1 6 6 HIS CA C 13 57.491 . . . . . . . A 6 HIS CA . c30449_6cxr 1 74 . 1 1 6 6 HIS CB C 13 29.853 . . . . . . . A 6 HIS CB . c30449_6cxr 1 75 . 1 1 6 6 HIS CD2 C 13 120.063 . . . . . . . A 6 HIS CD2 . c30449_6cxr 1 76 . 1 1 6 6 HIS CE1 C 13 136.453 . . . . . . . A 6 HIS CE1 . c30449_6cxr 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 c30449_6cxr _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 20 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 c30449_6cxr _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 . . . c30449_6cxr 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 . . . . c30449_6cxr 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 HIS C C 5.414 1.266 -3.017 . . . 1.0 . . . . . . . . . . . . A . 1 HIS C . . . . . . . . . c30449_6cxr 1 . 1 . 2 . 1 1 1 HIS CA C 5.550 2.003 -4.345 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CA . . . . . . . . . c30449_6cxr 1 . 1 . 3 . 1 1 1 HIS CB C 4.726 1.301 -5.426 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CB . . . . . . . . . c30449_6cxr 1 . 1 . 4 . 1 1 1 HIS CD2 C 4.126 2.012 -7.847 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CD2 . . . . . . . . . c30449_6cxr 1 . 1 . 5 . 1 1 1 HIS CE1 C 3.525 4.079 -7.434 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CE1 . . . . . . . . . c30449_6cxr 1 . 1 . 6 . 1 1 1 HIS CG C 4.264 2.217 -6.516 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CG . . . . . . . . . c30449_6cxr 1 . 1 . 7 . 1 1 1 HIS H1 H 7.375 1.107 -4.657 . . . 1.0 . . . . . . . . . . . . A . 1 HIS H1 . . . . . . . . . c30449_6cxr 1 . 1 . 8 . 1 1 1 HIS H2 H 7.458 2.759 -4.201 . . . 1.0 . . . . . . . . . . . . A . 1 HIS H2 . . . . . . . . . c30449_6cxr 1 . 1 . 9 . 1 1 1 HIS H3 H 6.977 2.329 -5.791 . . . 1.0 . . . . . . . . . . . . A . 1 HIS H3 . . . . . . . . . c30449_6cxr 1 . 1 . 10 . 1 1 1 HIS HA H 5.191 3.014 -4.225 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HA . . . . . . . . . c30449_6cxr 1 . 1 . 11 . 1 1 1 HIS HB2 H 5.325 0.524 -5.877 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HB2 . . . . . . . . . c30449_6cxr 1 . 1 . 12 . 1 1 1 HIS HB3 H 3.853 0.856 -4.971 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HB3 . . . . . . . . . c30449_6cxr 1 . 1 . 13 . 1 1 1 HIS HD1 H 3.868 3.973 -5.420 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HD1 . . . . . . . . . c30449_6cxr 1 . 1 . 14 . 1 1 1 HIS HD2 H 4.339 1.096 -8.380 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HD2 . . . . . . . . . c30449_6cxr 1 . 1 . 15 . 1 1 1 HIS HE1 H 3.179 5.094 -7.562 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HE1 . . . . . . . . . c30449_6cxr 1 . 1 . 16 . 1 1 1 HIS HE2 H 3.556 3.361 -9.352 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HE2 . . . . . . . . . c30449_6cxr 1 . 1 . 17 . 1 1 1 HIS N N 6.968 2.054 -4.789 . . . 1.0 . . . . . . . . . . . . A . 1 HIS N . . . . . . . . . c30449_6cxr 1 . 1 . 18 . 1 1 1 HIS ND1 N 3.880 3.522 -6.290 . . . 1.0 . . . . . . . . . . . . A . 1 HIS ND1 . . . . . . . . . c30449_6cxr 1 . 1 . 19 . 1 1 1 HIS NE2 N 3.666 3.184 -8.394 . . . 1.0 . . . . . . . . . . . . A . 1 HIS NE2 . . . . . . . . . c30449_6cxr 1 . 1 . 20 . 1 1 1 HIS O O 6.234 0.410 -2.684 . . . 1.0 . . . . . . . . . . . . A . 1 HIS O . . . . . . . . . c30449_6cxr 1 . 1 . 21 . 1 1 2 ARG C C 2.759 1.360 -0.424 . . . 1.0 . . . . . . . . . . . . A . 2 ARG C . . . . . . . . . c30449_6cxr 1 . 1 . 22 . 1 1 2 ARG CA C 4.131 0.973 -0.969 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CA . . . . . . . . . c30449_6cxr 1 . 1 . 23 . 1 1 2 ARG CB C 5.221 1.372 0.028 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CB . . . . . . . . . c30449_6cxr 1 . 1 . 24 . 1 1 2 ARG CD C 6.505 0.483 1.996 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CD . . . . . . . . . c30449_6cxr 1 . 1 . 25 . 1 1 2 ARG CG C 5.136 0.628 1.351 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CG . . . . . . . . . c30449_6cxr 1 . 1 . 26 . 1 1 2 ARG CZ C 6.603 2.292 3.667 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CZ . . . . . . . . . c30449_6cxr 1 . 1 . 27 . 1 1 2 ARG H H 3.755 2.293 -2.581 . . . 1.0 . . . . . . . . . . . . A . 2 ARG H . . . . . . . . . c30449_6cxr 1 . 1 . 28 . 1 1 2 ARG HA H 4.160 -0.096 -1.112 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HA . . . . . . . . . c30449_6cxr 1 . 1 . 29 . 1 1 2 ARG HB2 H 6.186 1.170 -0.412 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB2 . . . . . . . . . c30449_6cxr 1 . 1 . 30 . 1 1 2 ARG HB3 H 5.140 2.430 0.228 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB3 . . . . . . . . . c30449_6cxr 1 . 1 . 31 . 1 1 2 ARG HD2 H 6.432 -0.224 2.809 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD2 . . . . . . . . . c30449_6cxr 1 . 1 . 32 . 1 1 2 ARG HD3 H 7.199 0.111 1.257 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD3 . . . . . . . . . c30449_6cxr 1 . 1 . 33 . 1 1 2 ARG HE H 7.669 2.233 1.980 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HE . . . . . . . . . c30449_6cxr 1 . 1 . 34 . 1 1 2 ARG HG2 H 4.490 1.180 2.022 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG2 . . . . . . . . . c30449_6cxr 1 . 1 . 35 . 1 1 2 ARG HG3 H 4.724 -0.358 1.172 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG3 . . . . . . . . . c30449_6cxr 1 . 1 . 36 . 1 1 2 ARG HH11 H 5.318 0.798 4.123 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH11 . . . . . . . . . c30449_6cxr 1 . 1 . 37 . 1 1 2 ARG HH12 H 5.406 2.081 5.282 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH12 . . . . . . . . . c30449_6cxr 1 . 1 . 38 . 1 1 2 ARG HH21 H 7.786 3.922 3.504 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH21 . . . . . . . . . c30449_6cxr 1 . 1 . 39 . 1 1 2 ARG HH22 H 6.806 3.855 4.931 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH22 . . . . . . . . . c30449_6cxr 1 . 1 . 40 . 1 1 2 ARG N N 4.374 1.604 -2.262 . . . 1.0 . . . . . . . . . . . . A . 2 ARG N . . . . . . . . . c30449_6cxr 1 . 1 . 41 . 1 1 2 ARG NE N 7.002 1.754 2.516 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NE . . . . . . . . . c30449_6cxr 1 . 1 . 42 . 1 1 2 ARG NH1 N 5.701 1.672 4.419 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH1 . . . . . . . . . c30449_6cxr 1 . 1 . 43 . 1 1 2 ARG NH2 N 7.106 3.451 4.066 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH2 . . . . . . . . . c30449_6cxr 1 . 1 . 44 . 1 1 2 ARG O O 2.604 1.617 0.769 . . . 1.0 . . . . . . . . . . . . A . 2 ARG O . . . . . . . . . c30449_6cxr 1 . 1 . 45 . 1 1 3 PHE C C -0.332 0.559 -0.359 . . . 1.0 . . . . . . . . . . . . A . 3 PHE C . . . . . . . . . c30449_6cxr 1 . 1 . 46 . 1 1 3 PHE CA C 0.418 1.762 -0.928 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CA . . . . . . . . . c30449_6cxr 1 . 1 . 47 . 1 1 3 PHE CB C -0.320 2.326 -2.142 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CB . . . . . . . . . c30449_6cxr 1 . 1 . 48 . 1 1 3 PHE CD1 C -0.982 0.481 -3.719 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD1 . . . . . . . . . c30449_6cxr 1 . 1 . 49 . 1 1 3 PHE CD2 C 0.890 1.843 -4.291 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD2 . . . . . . . . . c30449_6cxr 1 . 1 . 50 . 1 1 3 PHE CE1 C -0.814 -0.244 -4.883 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE1 . . . . . . . . . c30449_6cxr 1 . 1 . 51 . 1 1 3 PHE CE2 C 1.063 1.120 -5.456 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE2 . . . . . . . . . c30449_6cxr 1 . 1 . 52 . 1 1 3 PHE CG C -0.133 1.532 -3.408 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CG . . . . . . . . . c30449_6cxr 1 . 1 . 53 . 1 1 3 PHE CZ C 0.210 0.075 -5.753 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CZ . . . . . . . . . c30449_6cxr 1 . 1 . 54 . 1 1 3 PHE H H 1.949 1.200 -2.242 . . . 1.0 . . . . . . . . . . . . A . 3 PHE H . . . . . . . . . c30449_6cxr 1 . 1 . 55 . 1 1 3 PHE HA H 0.478 2.527 -0.169 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HA . . . . . . . . . c30449_6cxr 1 . 1 . 56 . 1 1 3 PHE HB2 H -1.372 2.351 -1.926 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB2 . . . . . . . . . c30449_6cxr 1 . 1 . 57 . 1 1 3 PHE HB3 H 0.039 3.330 -2.328 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB3 . . . . . . . . . c30449_6cxr 1 . 1 . 58 . 1 1 3 PHE HD1 H -1.784 0.230 -3.041 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD1 . . . . . . . . . c30449_6cxr 1 . 1 . 59 . 1 1 3 PHE HD2 H 1.558 2.659 -4.061 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD2 . . . . . . . . . c30449_6cxr 1 . 1 . 60 . 1 1 3 PHE HE1 H -1.483 -1.061 -5.112 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE1 . . . . . . . . . c30449_6cxr 1 . 1 . 61 . 1 1 3 PHE HE2 H 1.865 1.372 -6.135 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE2 . . . . . . . . . c30449_6cxr 1 . 1 . 62 . 1 1 3 PHE HZ H 0.343 -0.490 -6.663 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HZ . . . . . . . . . c30449_6cxr 1 . 1 . 63 . 1 1 3 PHE N N 1.768 1.404 -1.308 . . . 1.0 . . . . . . . . . . . . A . 3 PHE N . . . . . . . . . c30449_6cxr 1 . 1 . 64 . 1 1 3 PHE O O -0.964 -0.198 -1.093 . . . 1.0 . . . . . . . . . . . . A . 3 PHE O . . . . . . . . . c30449_6cxr 1 . 1 . 65 . 1 1 4 LEU C C -2.419 -0.511 1.694 . . . 1.0 . . . . . . . . . . . . A . 4 LEU C . . . . . . . . . c30449_6cxr 1 . 1 . 66 . 1 1 4 LEU CA C -0.920 -0.722 1.624 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CA . . . . . . . . . c30449_6cxr 1 . 1 . 67 . 1 1 4 LEU CB C -0.395 -0.902 3.044 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CB . . . . . . . . . c30449_6cxr 1 . 1 . 68 . 1 1 4 LEU CD1 C 1.748 0.337 3.385 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD1 . . . . . . . . . c30449_6cxr 1 . 1 . 69 . 1 1 4 LEU CD2 C 1.498 -1.988 4.276 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD2 . . . . . . . . . c30449_6cxr 1 . 1 . 70 . 1 1 4 LEU CG C 1.122 -1.027 3.158 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CG . . . . . . . . . c30449_6cxr 1 . 1 . 71 . 1 1 4 LEU H H 0.268 1.016 1.490 . . . 1.0 . . . . . . . . . . . . A . 4 LEU H . . . . . . . . . c30449_6cxr 1 . 1 . 72 . 1 1 4 LEU HA H -0.714 -1.613 1.065 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HA . . . . . . . . . c30449_6cxr 1 . 1 . 73 . 1 1 4 LEU HB2 H -0.719 -0.055 3.633 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB2 . . . . . . . . . c30449_6cxr 1 . 1 . 74 . 1 1 4 LEU HB3 H -0.845 -1.793 3.458 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB3 . . . . . . . . . c30449_6cxr 1 . 1 . 75 . 1 1 4 LEU HD11 H 2.147 0.390 4.387 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD11 . . . . . . . . . c30449_6cxr 1 . 1 . 76 . 1 1 4 LEU HD12 H 0.998 1.102 3.255 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD12 . . . . . . . . . c30449_6cxr 1 . 1 . 77 . 1 1 4 LEU HD13 H 2.544 0.488 2.672 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD13 . . . . . . . . . c30449_6cxr 1 . 1 . 78 . 1 1 4 LEU HD21 H 1.227 -2.994 3.992 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD21 . . . . . . . . . c30449_6cxr 1 . 1 . 79 . 1 1 4 LEU HD22 H 0.970 -1.715 5.178 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD22 . . . . . . . . . c30449_6cxr 1 . 1 . 80 . 1 1 4 LEU HD23 H 2.562 -1.937 4.452 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD23 . . . . . . . . . c30449_6cxr 1 . 1 . 81 . 1 1 4 LEU HG H 1.512 -1.419 2.231 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HG . . . . . . . . . c30449_6cxr 1 . 1 . 82 . 1 1 4 LEU N N -0.253 0.387 0.957 . . . 1.0 . . . . . . . . . . . . A . 4 LEU N . . . . . . . . . c30449_6cxr 1 . 1 . 83 . 1 1 4 LEU O O -2.889 0.408 2.364 . . . 1.0 . . . . . . . . . . . . A . 4 LEU O . . . . . . . . . c30449_6cxr 1 . 1 . 84 . 1 1 5 ARG C C -5.048 -1.575 2.519 . . . 1.0 . . . . . . . . . . . . A . 5 ARG C . . . . . . . . . c30449_6cxr 1 . 1 . 85 . 1 1 5 ARG CA C -4.612 -1.285 1.096 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CA . . . . . . . . . c30449_6cxr 1 . 1 . 86 . 1 1 5 ARG CB C -5.228 -2.264 0.119 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CB . . . . . . . . . c30449_6cxr 1 . 1 . 87 . 1 1 5 ARG CD C -4.174 -1.623 -2.040 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CD . . . . . . . . . c30449_6cxr 1 . 1 . 88 . 1 1 5 ARG CG C -5.455 -1.647 -1.228 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CG . . . . . . . . . c30449_6cxr 1 . 1 . 89 . 1 1 5 ARG CZ C -4.226 0.475 -3.331 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CZ . . . . . . . . . c30449_6cxr 1 . 1 . 90 . 1 1 5 ARG H H -2.764 -2.117 0.548 . . . 1.0 . . . . . . . . . . . . A . 5 ARG H . . . . . . . . . c30449_6cxr 1 . 1 . 91 . 1 1 5 ARG HA H -4.899 -0.284 0.821 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HA . . . . . . . . . c30449_6cxr 1 . 1 . 92 . 1 1 5 ARG HB2 H -4.564 -3.099 -0.006 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HB2 . . . . . . . . . c30449_6cxr 1 . 1 . 93 . 1 1 5 ARG HB3 H -6.171 -2.606 0.504 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HB3 . . . . . . . . . c30449_6cxr 1 . 1 . 94 . 1 1 5 ARG HD2 H -3.388 -1.182 -1.437 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HD2 . . . . . . . . . c30449_6cxr 1 . 1 . 95 . 1 1 5 ARG HD3 H -3.905 -2.638 -2.294 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HD3 . . . . . . . . . c30449_6cxr 1 . 1 . 96 . 1 1 5 ARG HE H -4.520 -1.347 -4.089 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HE . . . . . . . . . c30449_6cxr 1 . 1 . 97 . 1 1 5 ARG HG2 H -6.201 -2.209 -1.751 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HG2 . . . . . . . . . c30449_6cxr 1 . 1 . 98 . 1 1 5 ARG HG3 H -5.793 -0.642 -1.085 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HG3 . . . . . . . . . c30449_6cxr 1 . 1 . 99 . 1 1 5 ARG HH11 H -3.852 0.721 -1.358 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH11 . . . . . . . . . c30449_6cxr 1 . 1 . 100 . 1 1 5 ARG HH12 H -3.895 2.178 -2.293 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH12 . . . . . . . . . c30449_6cxr 1 . 1 . 101 . 1 1 5 ARG HH21 H -4.578 0.569 -5.319 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH21 . . . . . . . . . c30449_6cxr 1 . 1 . 102 . 1 1 5 ARG HH22 H -4.308 2.093 -4.540 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH22 . . . . . . . . . c30449_6cxr 1 . 1 . 103 . 1 1 5 ARG N N -3.176 -1.383 1.042 . . . 1.0 . . . . . . . . . . . . A . 5 ARG N . . . . . . . . . c30449_6cxr 1 . 1 . 104 . 1 1 5 ARG NE N -4.327 -0.851 -3.268 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NE . . . . . . . . . c30449_6cxr 1 . 1 . 105 . 1 1 5 ARG NH1 N -3.970 1.182 -2.237 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NH1 . . . . . . . . . c30449_6cxr 1 . 1 . 106 . 1 1 5 ARG NH2 N -4.384 1.097 -4.492 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NH2 . . . . . . . . . c30449_6cxr 1 . 1 . 107 . 1 1 5 ARG O O -5.202 -2.731 2.913 . . . 1.0 . . . . . . . . . . . . A . 5 ARG O . . . . . . . . . c30449_6cxr 1 . 1 . 108 . 1 1 6 HIS C C -5.751 0.719 5.336 . . . 1.0 . . . . . . . . . . . . A . 6 HIS C . . . . . . . . . c30449_6cxr 1 . 1 . 109 . 1 1 6 HIS CA C -5.549 -0.653 4.702 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CA . . . . . . . . . c30449_6cxr 1 . 1 . 110 . 1 1 6 HIS CB C -4.433 -1.429 5.420 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CB . . . . . . . . . c30449_6cxr 1 . 1 . 111 . 1 1 6 HIS CD2 C -5.070 -0.657 7.826 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CD2 . . . . . . . . . c30449_6cxr 1 . 1 . 112 . 1 1 6 HIS CE1 C -4.520 -2.489 8.897 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CE1 . . . . . . . . . c30449_6cxr 1 . 1 . 113 . 1 1 6 HIS CG C -4.602 -1.539 6.908 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CG . . . . . . . . . c30449_6cxr 1 . 1 . 114 . 1 1 6 HIS H H -5.016 0.376 2.937 . . . 1.0 . . . . . . . . . . . . A . 6 HIS H . . . . . . . . . c30449_6cxr 1 . 1 . 115 . 1 1 6 HIS HA H -6.469 -1.212 4.767 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HA . . . . . . . . . c30449_6cxr 1 . 1 . 116 . 1 1 6 HIS HB2 H -4.406 -2.437 5.023 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HB2 . . . . . . . . . c30449_6cxr 1 . 1 . 117 . 1 1 6 HIS HB3 H -3.475 -0.944 5.220 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HB3 . . . . . . . . . c30449_6cxr 1 . 1 . 118 . 1 1 6 HIS HD1 H -3.898 -3.499 7.231 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HD1 . . . . . . . . . c30449_6cxr 1 . 1 . 119 . 1 1 6 HIS HD2 H -5.427 0.343 7.631 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HD2 . . . . . . . . . c30449_6cxr 1 . 1 . 120 . 1 1 6 HIS HE1 H -4.356 -3.208 9.685 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HE1 . . . . . . . . . c30449_6cxr 1 . 1 . 121 . 1 1 6 HIS HE2 H -5.355 -0.906 9.891 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HE2 . . . . . . . . . c30449_6cxr 1 . 1 . 122 . 1 1 6 HIS N N -5.192 -0.517 3.302 . . . 1.0 . . . . . . . . . . . . A . 6 HIS N . . . . . . . . . c30449_6cxr 1 . 1 . 123 . 1 1 6 HIS ND1 N -4.267 -2.676 7.614 . . . 1.0 . . . . . . . . . . . . A . 6 HIS ND1 . . . . . . . . . c30449_6cxr 1 . 1 . 124 . 1 1 6 HIS NE2 N -5.007 -1.273 9.052 . . . 1.0 . . . . . . . . . . . . A . 6 HIS NE2 . . . . . . . . . c30449_6cxr 1 . 1 . 125 . 1 1 6 HIS O O -4.804 1.532 5.301 . . . 1.0 . . . . . . . . . . . . A . 6 HIS O . . . . . . . . . c30449_6cxr 1 . 2 . 126 . 1 1 1 HIS C C 5.073 1.109 -3.212 . . . 1.0 . . . . . . . . . . . . A . 1 HIS C . . . . . . . . . c30449_6cxr 1 . 2 . 127 . 1 1 1 HIS CA C 5.357 2.036 -4.390 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CA . . . . . . . . . c30449_6cxr 1 . 2 . 128 . 1 1 1 HIS CB C 4.571 1.581 -5.621 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CB . . . . . . . . . c30449_6cxr 1 . 2 . 129 . 1 1 1 HIS CD2 C 4.298 2.945 -7.812 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CD2 . . . . . . . . . c30449_6cxr 1 . 2 . 130 . 1 1 1 HIS CE1 C 3.117 4.608 -7.008 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CE1 . . . . . . . . . c30449_6cxr 1 . 2 . 131 . 1 1 1 HIS CG C 4.114 2.712 -6.490 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CG . . . . . . . . . c30449_6cxr 1 . 2 . 132 . 1 1 1 HIS H1 H 7.111 1.059 -4.837 . . . 1.0 . . . . . . . . . . . . A . 1 HIS H1 . . . . . . . . . c30449_6cxr 1 . 2 . 133 . 1 1 1 HIS H2 H 7.308 2.514 -3.948 . . . 1.0 . . . . . . . . . . . . A . 1 HIS H2 . . . . . . . . . c30449_6cxr 1 . 2 . 134 . 1 1 1 HIS H3 H 6.918 2.572 -5.618 . . . 1.0 . . . . . . . . . . . . A . 1 HIS H3 . . . . . . . . . c30449_6cxr 1 . 2 . 135 . 1 1 1 HIS HA H 5.058 3.040 -4.128 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HA . . . . . . . . . c30449_6cxr 1 . 2 . 136 . 1 1 1 HIS HB2 H 5.196 0.935 -6.220 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HB2 . . . . . . . . . c30449_6cxr 1 . 2 . 137 . 1 1 1 HIS HB3 H 3.698 1.033 -5.300 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HB3 . . . . . . . . . c30449_6cxr 1 . 2 . 138 . 1 1 1 HIS HD1 H 3.073 3.895 -5.091 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HD1 . . . . . . . . . c30449_6cxr 1 . 2 . 139 . 1 1 1 HIS HD2 H 4.839 2.316 -8.504 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HD2 . . . . . . . . . c30449_6cxr 1 . 2 . 140 . 1 1 1 HIS HE1 H 2.555 5.527 -6.932 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HE1 . . . . . . . . . c30449_6cxr 1 . 2 . 141 . 1 1 1 HIS HE2 H 3.707 4.594 -8.969 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HE2 . . . . . . . . . c30449_6cxr 1 . 2 . 142 . 1 1 1 HIS N N 6.804 2.046 -4.729 . . . 1.0 . . . . . . . . . . . . A . 1 HIS N . . . . . . . . . c30449_6cxr 1 . 2 . 143 . 1 1 1 HIS ND1 N 3.371 3.773 -6.016 . . . 1.0 . . . . . . . . . . . . A . 1 HIS ND1 . . . . . . . . . c30449_6cxr 1 . 2 . 144 . 1 1 1 HIS NE2 N 3.669 4.129 -8.107 . . . 1.0 . . . . . . . . . . . . A . 1 HIS NE2 . . . . . . . . . c30449_6cxr 1 . 2 . 145 . 1 1 1 HIS O O 5.363 -0.086 -3.266 . . . 1.0 . . . . . . . . . . . . A . 1 HIS O . . . . . . . . . c30449_6cxr 1 . 2 . 146 . 1 1 2 ARG C C 2.829 1.313 -0.386 . . . 1.0 . . . . . . . . . . . . A . 2 ARG C . . . . . . . . . c30449_6cxr 1 . 2 . 147 . 1 1 2 ARG CA C 4.180 0.893 -0.958 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CA . . . . . . . . . c30449_6cxr 1 . 2 . 148 . 1 1 2 ARG CB C 5.273 1.065 0.099 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CB . . . . . . . . . c30449_6cxr 1 . 2 . 149 . 1 1 2 ARG CD C 6.360 -0.086 2.052 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CD . . . . . . . . . c30449_6cxr 1 . 2 . 150 . 1 1 2 ARG CG C 5.049 0.227 1.347 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CG . . . . . . . . . c30449_6cxr 1 . 2 . 151 . 1 1 2 ARG CZ C 6.184 -2.462 2.684 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CZ . . . . . . . . . c30449_6cxr 1 . 2 . 152 . 1 1 2 ARG H H 4.297 2.626 -2.167 . . . 1.0 . . . . . . . . . . . . A . 2 ARG H . . . . . . . . . c30449_6cxr 1 . 2 . 153 . 1 1 2 ARG HA H 4.128 -0.147 -1.243 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HA . . . . . . . . . c30449_6cxr 1 . 2 . 154 . 1 1 2 ARG HB2 H 6.222 0.783 -0.333 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB2 . . . . . . . . . c30449_6cxr 1 . 2 . 155 . 1 1 2 ARG HB3 H 5.315 2.104 0.392 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB3 . . . . . . . . . c30449_6cxr 1 . 2 . 156 . 1 1 2 ARG HD2 H 7.144 0.511 1.612 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD2 . . . . . . . . . c30449_6cxr 1 . 2 . 157 . 1 1 2 ARG HD3 H 6.260 0.167 3.097 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD3 . . . . . . . . . c30449_6cxr 1 . 2 . 158 . 1 1 2 ARG HE H 7.395 -1.740 1.272 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HE . . . . . . . . . c30449_6cxr 1 . 2 . 159 . 1 1 2 ARG HG2 H 4.409 0.775 2.026 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG2 . . . . . . . . . c30449_6cxr 1 . 2 . 160 . 1 1 2 ARG HG3 H 4.571 -0.704 1.062 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG3 . . . . . . . . . c30449_6cxr 1 . 2 . 161 . 1 1 2 ARG HH11 H 4.971 -1.225 3.729 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH11 . . . . . . . . . c30449_6cxr 1 . 2 . 162 . 1 1 2 ARG HH12 H 4.866 -2.900 4.154 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH12 . . . . . . . . . c30449_6cxr 1 . 2 . 163 . 1 1 2 ARG HH21 H 7.259 -3.944 1.829 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH21 . . . . . . . . . c30449_6cxr 1 . 2 . 164 . 1 1 2 ARG HH22 H 6.165 -4.444 3.076 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH22 . . . . . . . . . c30449_6cxr 1 . 2 . 165 . 1 1 2 ARG N N 4.504 1.669 -2.150 . . . 1.0 . . . . . . . . . . . . A . 2 ARG N . . . . . . . . . c30449_6cxr 1 . 2 . 166 . 1 1 2 ARG NE N 6.719 -1.498 1.939 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NE . . . . . . . . . c30449_6cxr 1 . 2 . 167 . 1 1 2 ARG NH1 N 5.265 -2.171 3.597 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH1 . . . . . . . . . c30449_6cxr 1 . 2 . 168 . 1 1 2 ARG NH2 N 6.567 -3.720 2.516 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH2 . . . . . . . . . c30449_6cxr 1 . 2 . 169 . 1 1 2 ARG O O 2.700 1.567 0.811 . . . 1.0 . . . . . . . . . . . . A . 2 ARG O . . . . . . . . . c30449_6cxr 1 . 2 . 170 . 1 1 3 PHE C C -0.279 0.596 -0.271 . . . 1.0 . . . . . . . . . . . . A . 3 PHE C . . . . . . . . . c30449_6cxr 1 . 2 . 171 . 1 1 3 PHE CA C 0.492 1.782 -0.847 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CA . . . . . . . . . c30449_6cxr 1 . 2 . 172 . 1 1 3 PHE CB C -0.252 2.372 -2.045 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CB . . . . . . . . . c30449_6cxr 1 . 2 . 173 . 1 1 3 PHE CD1 C 0.905 1.852 -4.214 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD1 . . . . . . . . . c30449_6cxr 1 . 2 . 174 . 1 1 3 PHE CD2 C -1.008 0.560 -3.617 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD2 . . . . . . . . . c30449_6cxr 1 . 2 . 175 . 1 1 3 PHE CE1 C 1.032 1.128 -5.385 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE1 . . . . . . . . . c30449_6cxr 1 . 2 . 176 . 1 1 3 PHE CE2 C -0.885 -0.167 -4.785 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE2 . . . . . . . . . c30449_6cxr 1 . 2 . 177 . 1 1 3 PHE CG C -0.115 1.577 -3.316 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CG . . . . . . . . . c30449_6cxr 1 . 2 . 178 . 1 1 3 PHE CZ C 0.136 0.117 -5.670 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CZ . . . . . . . . . c30449_6cxr 1 . 2 . 179 . 1 1 3 PHE H H 1.984 1.186 -2.191 . . . 1.0 . . . . . . . . . . . . A . 3 PHE H . . . . . . . . . c30449_6cxr 1 . 2 . 180 . 1 1 3 PHE HA H 0.586 2.540 -0.085 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HA . . . . . . . . . c30449_6cxr 1 . 2 . 181 . 1 1 3 PHE HB2 H -1.298 2.429 -1.808 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB2 . . . . . . . . . c30449_6cxr 1 . 2 . 182 . 1 1 3 PHE HB3 H 0.133 3.366 -2.235 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB3 . . . . . . . . . c30449_6cxr 1 . 2 . 183 . 1 1 3 PHE HD1 H 1.608 2.642 -3.991 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD1 . . . . . . . . . c30449_6cxr 1 . 2 . 184 . 1 1 3 PHE HD2 H -1.808 0.337 -2.928 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD2 . . . . . . . . . c30449_6cxr 1 . 2 . 185 . 1 1 3 PHE HE1 H 1.831 1.354 -6.075 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE1 . . . . . . . . . c30449_6cxr 1 . 2 . 186 . 1 1 3 PHE HE2 H -1.588 -0.957 -5.007 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE2 . . . . . . . . . c30449_6cxr 1 . 2 . 187 . 1 1 3 PHE HZ H 0.234 -0.450 -6.584 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HZ . . . . . . . . . c30449_6cxr 1 . 2 . 188 . 1 1 3 PHE N N 1.825 1.390 -1.253 . . . 1.0 . . . . . . . . . . . . A . 3 PHE N . . . . . . . . . c30449_6cxr 1 . 2 . 189 . 1 1 3 PHE O O -0.945 -0.140 -0.998 . . . 1.0 . . . . . . . . . . . . A . 3 PHE O . . . . . . . . . c30449_6cxr 1 . 2 . 190 . 1 1 4 LEU C C -2.360 -0.480 1.733 . . . 1.0 . . . . . . . . . . . . A . 4 LEU C . . . . . . . . . c30449_6cxr 1 . 2 . 191 . 1 1 4 LEU CA C -0.858 -0.679 1.718 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CA . . . . . . . . . c30449_6cxr 1 . 2 . 192 . 1 1 4 LEU CB C -0.376 -0.805 3.159 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CB . . . . . . . . . c30449_6cxr 1 . 2 . 193 . 1 1 4 LEU CD1 C 1.809 0.363 3.501 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD1 . . . . . . . . . c30449_6cxr 1 . 2 . 194 . 1 1 4 LEU CD2 C 1.444 -1.912 4.480 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD2 . . . . . . . . . c30449_6cxr 1 . 2 . 195 . 1 1 4 LEU CG C 1.132 -0.984 3.316 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CG . . . . . . . . . c30449_6cxr 1 . 2 . 196 . 1 1 4 LEU H H 0.373 1.028 1.567 . . . 1.0 . . . . . . . . . . . . A . 4 LEU H . . . . . . . . . c30449_6cxr 1 . 2 . 197 . 1 1 4 LEU HA H -0.625 -1.588 1.194 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HA . . . . . . . . . c30449_6cxr 1 . 2 . 198 . 1 1 4 LEU HB2 H -0.675 0.086 3.693 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB2 . . . . . . . . . c30449_6cxr 1 . 2 . 199 . 1 1 4 LEU HB3 H -0.872 -1.653 3.610 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB3 . . . . . . . . . c30449_6cxr 1 . 2 . 200 . 1 1 4 LEU HD11 H 2.247 0.416 4.486 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD11 . . . . . . . . . c30449_6cxr 1 . 2 . 201 . 1 1 4 LEU HD12 H 1.078 1.150 3.388 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD12 . . . . . . . . . c30449_6cxr 1 . 2 . 202 . 1 1 4 LEU HD13 H 2.580 0.480 2.756 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD13 . . . . . . . . . c30449_6cxr 1 . 2 . 203 . 1 1 4 LEU HD21 H 1.476 -2.933 4.129 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD21 . . . . . . . . . c30449_6cxr 1 . 2 . 204 . 1 1 4 LEU HD22 H 0.677 -1.815 5.234 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD22 . . . . . . . . . c30449_6cxr 1 . 2 . 205 . 1 1 4 LEU HD23 H 2.402 -1.648 4.905 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD23 . . . . . . . . . c30449_6cxr 1 . 2 . 206 . 1 1 4 LEU HG H 1.526 -1.429 2.414 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HG . . . . . . . . . c30449_6cxr 1 . 2 . 207 . 1 1 4 LEU N N -0.177 0.415 1.041 . . . 1.0 . . . . . . . . . . . . A . 4 LEU N . . . . . . . . . c30449_6cxr 1 . 2 . 208 . 1 1 4 LEU O O -2.863 0.418 2.408 . . . 1.0 . . . . . . . . . . . . A . 4 LEU O . . . . . . . . . c30449_6cxr 1 . 2 . 209 . 1 1 5 ARG C C -5.013 -1.561 2.433 . . . 1.0 . . . . . . . . . . . . A . 5 ARG C . . . . . . . . . c30449_6cxr 1 . 2 . 210 . 1 1 5 ARG CA C -4.524 -1.250 1.031 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CA . . . . . . . . . c30449_6cxr 1 . 2 . 211 . 1 1 5 ARG CB C -5.101 -2.217 0.019 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CB . . . . . . . . . c30449_6cxr 1 . 2 . 212 . 1 1 5 ARG CD C -4.031 -1.410 -2.082 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CD . . . . . . . . . c30449_6cxr 1 . 2 . 213 . 1 1 5 ARG CG C -5.332 -1.565 -1.313 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CG . . . . . . . . . c30449_6cxr 1 . 2 . 214 . 1 1 5 ARG CZ C -4.594 -0.451 -4.283 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CZ . . . . . . . . . c30449_6cxr 1 . 2 . 215 . 1 1 5 ARG H H -2.648 -2.059 0.534 . . . 1.0 . . . . . . . . . . . . A . 5 ARG H . . . . . . . . . c30449_6cxr 1 . 2 . 216 . 1 1 5 ARG HA H -4.806 -0.247 0.758 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HA . . . . . . . . . c30449_6cxr 1 . 2 . 217 . 1 1 5 ARG HB2 H -4.412 -3.028 -0.122 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HB2 . . . . . . . . . c30449_6cxr 1 . 2 . 218 . 1 1 5 ARG HB3 H -6.039 -2.597 0.385 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HB3 . . . . . . . . . c30449_6cxr 1 . 2 . 219 . 1 1 5 ARG HD2 H -3.235 -1.203 -1.377 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HD2 . . . . . . . . . c30449_6cxr 1 . 2 . 220 . 1 1 5 ARG HD3 H -3.821 -2.333 -2.601 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HD3 . . . . . . . . . c30449_6cxr 1 . 2 . 221 . 1 1 5 ARG HE H -3.759 0.554 -2.774 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HE . . . . . . . . . c30449_6cxr 1 . 2 . 222 . 1 1 5 ARG HG2 H -6.015 -2.161 -1.880 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HG2 . . . . . . . . . c30449_6cxr 1 . 2 . 223 . 1 1 5 ARG HG3 H -5.753 -0.596 -1.144 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HG3 . . . . . . . . . c30449_6cxr 1 . 2 . 224 . 1 1 5 ARG HH11 H -5.064 -2.408 -4.085 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH11 . . . . . . . . . c30449_6cxr 1 . 2 . 225 . 1 1 5 ARG HH12 H -5.441 -1.707 -5.622 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH12 . . . . . . . . . c30449_6cxr 1 . 2 . 226 . 1 1 5 ARG HH21 H -4.258 1.475 -4.795 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH21 . . . . . . . . . c30449_6cxr 1 . 2 . 227 . 1 1 5 ARG HH22 H -4.984 0.496 -6.025 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH22 . . . . . . . . . c30449_6cxr 1 . 2 . 228 . 1 1 5 ARG N N -3.085 -1.339 1.030 . . . 1.0 . . . . . . . . . . . . A . 5 ARG N . . . . . . . . . c30449_6cxr 1 . 2 . 229 . 1 1 5 ARG NE N -4.099 -0.321 -3.053 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NE . . . . . . . . . c30449_6cxr 1 . 2 . 230 . 1 1 5 ARG NH1 N -5.072 -1.618 -4.696 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NH1 . . . . . . . . . c30449_6cxr 1 . 2 . 231 . 1 1 5 ARG NH2 N -4.614 0.593 -5.101 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NH2 . . . . . . . . . c30449_6cxr 1 . 2 . 232 . 1 1 5 ARG O O -5.178 -2.723 2.804 . . . 1.0 . . . . . . . . . . . . A . 5 ARG O . . . . . . . . . c30449_6cxr 1 . 2 . 233 . 1 1 6 HIS C C -5.840 0.692 5.251 . . . 1.0 . . . . . . . . . . . . A . 6 HIS C . . . . . . . . . c30449_6cxr 1 . 2 . 234 . 1 1 6 HIS CA C -5.605 -0.670 4.607 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CA . . . . . . . . . c30449_6cxr 1 . 2 . 235 . 1 1 6 HIS CB C -4.516 -1.451 5.361 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CB . . . . . . . . . c30449_6cxr 1 . 2 . 236 . 1 1 6 HIS CD2 C -5.266 -0.729 7.749 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CD2 . . . . . . . . . c30449_6cxr 1 . 2 . 237 . 1 1 6 HIS CE1 C -4.768 -2.583 8.806 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CE1 . . . . . . . . . c30449_6cxr 1 . 2 . 238 . 1 1 6 HIS CG C -4.756 -1.592 6.836 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CG . . . . . . . . . c30449_6cxr 1 . 2 . 239 . 1 1 6 HIS H H -5.008 0.385 2.878 . . . 1.0 . . . . . . . . . . . . A . 6 HIS H . . . . . . . . . c30449_6cxr 1 . 2 . 240 . 1 1 6 HIS HA H -6.524 -1.235 4.627 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HA . . . . . . . . . c30449_6cxr 1 . 2 . 241 . 1 1 6 HIS HB2 H -4.460 -2.450 4.946 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HB2 . . . . . . . . . c30449_6cxr 1 . 2 . 242 . 1 1 6 HIS HB3 H -3.555 -0.952 5.217 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HB3 . . . . . . . . . c30449_6cxr 1 . 2 . 243 . 1 1 6 HIS HD1 H -4.067 -3.559 7.151 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HD1 . . . . . . . . . c30449_6cxr 1 . 2 . 244 . 1 1 6 HIS HD2 H -5.613 0.276 7.558 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HD2 . . . . . . . . . c30449_6cxr 1 . 2 . 245 . 1 1 6 HIS HE1 H -4.641 -3.319 9.586 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HE1 . . . . . . . . . c30449_6cxr 1 . 2 . 246 . 1 1 6 HIS HE2 H -5.487 -0.959 9.824 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HE2 . . . . . . . . . c30449_6cxr 1 . 2 . 247 . 1 1 6 HIS N N -5.193 -0.514 3.224 . . . 1.0 . . . . . . . . . . . . A . 6 HIS N . . . . . . . . . c30449_6cxr 1 . 2 . 248 . 1 1 6 HIS ND1 N -4.454 -2.744 7.534 . . . 1.0 . . . . . . . . . . . . A . 6 HIS ND1 . . . . . . . . . c30449_6cxr 1 . 2 . 249 . 1 1 6 HIS NE2 N -5.261 -1.369 8.963 . . . 1.0 . . . . . . . . . . . . A . 6 HIS NE2 . . . . . . . . . c30449_6cxr 1 . 2 . 250 . 1 1 6 HIS O O -4.894 1.507 5.274 . . . 1.0 . . . . . . . . . . . . A . 6 HIS O . . . . . . . . . c30449_6cxr 1 . 3 . 251 . 1 1 1 HIS C C 5.392 1.299 -3.005 . . . 1.0 . . . . . . . . . . . . A . 1 HIS C . . . . . . . . . c30449_6cxr 1 . 3 . 252 . 1 1 1 HIS CA C 5.625 2.184 -4.225 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CA . . . . . . . . . c30449_6cxr 1 . 3 . 253 . 1 1 1 HIS CB C 4.294 2.509 -4.908 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CB . . . . . . . . . c30449_6cxr 1 . 3 . 254 . 1 1 1 HIS CD2 C 3.956 4.491 -6.546 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CD2 . . . . . . . . . c30449_6cxr 1 . 3 . 255 . 1 1 1 HIS CE1 C 4.128 6.132 -5.102 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CE1 . . . . . . . . . c30449_6cxr 1 . 3 . 256 . 1 1 1 HIS CG C 4.173 3.940 -5.328 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CG . . . . . . . . . c30449_6cxr 1 . 3 . 257 . 1 1 1 HIS H1 H 6.880 2.244 -5.855 . . . 1.0 . . . . . . . . . . . . A . 1 HIS H1 . . . . . . . . . c30449_6cxr 1 . 3 . 258 . 1 1 1 HIS H2 H 5.939 0.814 -5.728 . . . 1.0 . . . . . . . . . . . . A . 1 HIS H2 . . . . . . . . . c30449_6cxr 1 . 3 . 259 . 1 1 1 HIS H3 H 7.282 1.055 -4.687 . . . 1.0 . . . . . . . . . . . . A . 1 HIS H3 . . . . . . . . . c30449_6cxr 1 . 3 . 260 . 1 1 1 HIS HA H 6.096 3.102 -3.909 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HA . . . . . . . . . c30449_6cxr 1 . 3 . 261 . 1 1 1 HIS HB2 H 4.191 1.894 -5.790 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HB2 . . . . . . . . . c30449_6cxr 1 . 3 . 262 . 1 1 1 HIS HB3 H 3.485 2.291 -4.227 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HB3 . . . . . . . . . c30449_6cxr 1 . 3 . 263 . 1 1 1 HIS HD1 H 4.435 4.922 -3.481 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HD1 . . . . . . . . . c30449_6cxr 1 . 3 . 264 . 1 1 1 HIS HD2 H 3.826 3.958 -7.477 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HD2 . . . . . . . . . c30449_6cxr 1 . 3 . 265 . 1 1 1 HIS HE1 H 4.163 7.121 -4.669 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HE1 . . . . . . . . . c30449_6cxr 1 . 3 . 266 . 1 1 1 HIS HE2 H 3.887 6.516 -7.099 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HE2 . . . . . . . . . c30449_6cxr 1 . 3 . 267 . 1 1 1 HIS N N 6.511 1.514 -5.213 . . . 1.0 . . . . . . . . . . . . A . 1 HIS N . . . . . . . . . c30449_6cxr 1 . 3 . 268 . 1 1 1 HIS ND1 N 4.277 4.995 -4.446 . . . 1.0 . . . . . . . . . . . . A . 1 HIS ND1 . . . . . . . . . c30449_6cxr 1 . 3 . 269 . 1 1 1 HIS NE2 N 3.933 5.854 -6.378 . . . 1.0 . . . . . . . . . . . . A . 1 HIS NE2 . . . . . . . . . c30449_6cxr 1 . 3 . 270 . 1 1 1 HIS O O 6.033 0.259 -2.848 . . . 1.0 . . . . . . . . . . . . A . 1 HIS O . . . . . . . . . c30449_6cxr 1 . 3 . 271 . 1 1 2 ARG C C 2.803 1.376 -0.367 . . . 1.0 . . . . . . . . . . . . A . 2 ARG C . . . . . . . . . c30449_6cxr 1 . 3 . 272 . 1 1 2 ARG CA C 4.158 0.962 -0.935 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CA . . . . . . . . . c30449_6cxr 1 . 3 . 273 . 1 1 2 ARG CB C 5.250 1.165 0.116 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CB . . . . . . . . . c30449_6cxr 1 . 3 . 274 . 1 1 2 ARG CD C 6.398 -0.011 2.015 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CD . . . . . . . . . c30449_6cxr 1 . 3 . 275 . 1 1 2 ARG CG C 5.065 0.308 1.357 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CG . . . . . . . . . c30449_6cxr 1 . 3 . 276 . 1 1 2 ARG CZ C 6.532 1.498 3.960 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CZ . . . . . . . . . c30449_6cxr 1 . 3 . 277 . 1 1 2 ARG H H 3.995 2.555 -2.320 . . . 1.0 . . . . . . . . . . . . A . 2 ARG H . . . . . . . . . c30449_6cxr 1 . 3 . 278 . 1 1 2 ARG HA H 4.117 -0.084 -1.200 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HA . . . . . . . . . c30449_6cxr 1 . 3 . 279 . 1 1 2 ARG HB2 H 6.206 0.922 -0.324 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB2 . . . . . . . . . c30449_6cxr 1 . 3 . 280 . 1 1 2 ARG HB3 H 5.255 2.202 0.418 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB3 . . . . . . . . . c30449_6cxr 1 . 3 . 281 . 1 1 2 ARG HD2 H 6.258 -0.830 2.705 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD2 . . . . . . . . . c30449_6cxr 1 . 3 . 282 . 1 1 2 ARG HD3 H 7.102 -0.302 1.250 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD3 . . . . . . . . . c30449_6cxr 1 . 3 . 283 . 1 1 2 ARG HE H 7.637 1.662 2.306 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HE . . . . . . . . . c30449_6cxr 1 . 3 . 284 . 1 1 2 ARG HG2 H 4.445 0.845 2.064 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG2 . . . . . . . . . c30449_6cxr 1 . 3 . 285 . 1 1 2 ARG HG3 H 4.581 -0.619 1.074 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG3 . . . . . . . . . c30449_6cxr 1 . 3 . 286 . 1 1 2 ARG HH11 H 5.172 0.012 4.145 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH11 . . . . . . . . . c30449_6cxr 1 . 3 . 287 . 1 1 2 ARG HH12 H 5.286 1.086 5.498 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH12 . . . . . . . . . c30449_6cxr 1 . 3 . 288 . 1 1 2 ARG HH21 H 7.788 3.076 4.085 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH21 . . . . . . . . . c30449_6cxr 1 . 3 . 289 . 1 1 2 ARG HH22 H 6.770 2.826 5.464 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH22 . . . . . . . . . c30449_6cxr 1 . 3 . 290 . 1 1 2 ARG N N 4.472 1.718 -2.142 . . . 1.0 . . . . . . . . . . . . A . 2 ARG N . . . . . . . . . c30449_6cxr 1 . 3 . 291 . 1 1 2 ARG NE N 6.937 1.135 2.745 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NE . . . . . . . . . c30449_6cxr 1 . 3 . 292 . 1 1 2 ARG NH1 N 5.585 0.808 4.585 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH1 . . . . . . . . . c30449_6cxr 1 . 3 . 293 . 1 1 2 ARG NH2 N 7.074 2.553 4.551 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH2 . . . . . . . . . c30449_6cxr 1 . 3 . 294 . 1 1 2 ARG O O 2.671 1.625 0.832 . . . 1.0 . . . . . . . . . . . . A . 2 ARG O . . . . . . . . . c30449_6cxr 1 . 3 . 295 . 1 1 3 PHE C C -0.299 0.646 -0.256 . . . 1.0 . . . . . . . . . . . . A . 3 PHE C . . . . . . . . . c30449_6cxr 1 . 3 . 296 . 1 1 3 PHE CA C 0.465 1.838 -0.828 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CA . . . . . . . . . c30449_6cxr 1 . 3 . 297 . 1 1 3 PHE CB C -0.281 2.429 -2.023 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CB . . . . . . . . . c30449_6cxr 1 . 3 . 298 . 1 1 3 PHE CD1 C 0.879 1.947 -4.199 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD1 . . . . . . . . . c30449_6cxr 1 . 3 . 299 . 1 1 3 PHE CD2 C -1.007 0.613 -3.606 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD2 . . . . . . . . . c30449_6cxr 1 . 3 . 300 . 1 1 3 PHE CE1 C 1.018 1.234 -5.374 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE1 . . . . . . . . . c30449_6cxr 1 . 3 . 301 . 1 1 3 PHE CE2 C -0.873 -0.103 -4.780 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE2 . . . . . . . . . c30449_6cxr 1 . 3 . 302 . 1 1 3 PHE CG C -0.133 1.645 -3.301 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CG . . . . . . . . . c30449_6cxr 1 . 3 . 303 . 1 1 3 PHE CZ C 0.141 0.208 -5.665 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CZ . . . . . . . . . c30449_6cxr 1 . 3 . 304 . 1 1 3 PHE H H 1.960 1.252 -2.174 . . . 1.0 . . . . . . . . . . . . A . 3 PHE H . . . . . . . . . c30449_6cxr 1 . 3 . 305 . 1 1 3 PHE HA H 0.557 2.593 -0.063 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HA . . . . . . . . . c30449_6cxr 1 . 3 . 306 . 1 1 3 PHE HB2 H -1.329 2.474 -1.789 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB2 . . . . . . . . . c30449_6cxr 1 . 3 . 307 . 1 1 3 PHE HB3 H 0.095 3.428 -2.205 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB3 . . . . . . . . . c30449_6cxr 1 . 3 . 308 . 1 1 3 PHE HD1 H 1.567 2.748 -3.972 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD1 . . . . . . . . . c30449_6cxr 1 . 3 . 309 . 1 1 3 PHE HD2 H -1.801 0.370 -2.917 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD2 . . . . . . . . . c30449_6cxr 1 . 3 . 310 . 1 1 3 PHE HE1 H 1.810 1.480 -6.065 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE1 . . . . . . . . . c30449_6cxr 1 . 3 . 311 . 1 1 3 PHE HE2 H -1.560 -0.905 -5.006 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE2 . . . . . . . . . c30449_6cxr 1 . 3 . 312 . 1 1 3 PHE HZ H 0.247 -0.351 -6.584 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HZ . . . . . . . . . c30449_6cxr 1 . 3 . 313 . 1 1 3 PHE N N 1.800 1.453 -1.235 . . . 1.0 . . . . . . . . . . . . A . 3 PHE N . . . . . . . . . c30449_6cxr 1 . 3 . 314 . 1 1 3 PHE O O -0.962 -0.090 -0.984 . . . 1.0 . . . . . . . . . . . . A . 3 PHE O . . . . . . . . . c30449_6cxr 1 . 3 . 315 . 1 1 4 LEU C C -2.373 -0.458 1.738 . . . 1.0 . . . . . . . . . . . . A . 4 LEU C . . . . . . . . . c30449_6cxr 1 . 3 . 316 . 1 1 4 LEU CA C -0.868 -0.639 1.730 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CA . . . . . . . . . c30449_6cxr 1 . 3 . 317 . 1 1 4 LEU CB C -0.392 -0.754 3.174 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CB . . . . . . . . . c30449_6cxr 1 . 3 . 318 . 1 1 4 LEU CD1 C 1.795 0.409 3.518 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD1 . . . . . . . . . c30449_6cxr 1 . 3 . 319 . 1 1 4 LEU CD2 C 1.421 -1.863 4.504 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD2 . . . . . . . . . c30449_6cxr 1 . 3 . 320 . 1 1 4 LEU CG C 1.115 -0.937 3.336 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CG . . . . . . . . . c30449_6cxr 1 . 3 . 321 . 1 1 4 LEU H H 0.353 1.074 1.583 . . . 1.0 . . . . . . . . . . . . A . 4 LEU H . . . . . . . . . c30449_6cxr 1 . 3 . 322 . 1 1 4 LEU HA H -0.622 -1.547 1.210 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HA . . . . . . . . . c30449_6cxr 1 . 3 . 323 . 1 1 4 LEU HB2 H -0.690 0.142 3.699 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB2 . . . . . . . . . c30449_6cxr 1 . 3 . 324 . 1 1 4 LEU HB3 H -0.894 -1.597 3.630 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB3 . . . . . . . . . c30449_6cxr 1 . 3 . 325 . 1 1 4 LEU HD11 H 2.232 0.463 4.504 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD11 . . . . . . . . . c30449_6cxr 1 . 3 . 326 . 1 1 4 LEU HD12 H 1.068 1.198 3.402 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD12 . . . . . . . . . c30449_6cxr 1 . 3 . 327 . 1 1 4 LEU HD13 H 2.570 0.521 2.775 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD13 . . . . . . . . . c30449_6cxr 1 . 3 . 328 . 1 1 4 LEU HD21 H 0.603 -1.837 5.208 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD21 . . . . . . . . . c30449_6cxr 1 . 3 . 329 . 1 1 4 LEU HD22 H 2.328 -1.538 4.993 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD22 . . . . . . . . . c30449_6cxr 1 . 3 . 330 . 1 1 4 LEU HD23 H 1.550 -2.872 4.140 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD23 . . . . . . . . . c30449_6cxr 1 . 3 . 331 . 1 1 4 LEU HG H 1.510 -1.385 2.437 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HG . . . . . . . . . c30449_6cxr 1 . 3 . 332 . 1 1 4 LEU N N -0.195 0.461 1.056 . . . 1.0 . . . . . . . . . . . . A . 4 LEU N . . . . . . . . . c30449_6cxr 1 . 3 . 333 . 1 1 4 LEU O O -2.891 0.430 2.415 . . . 1.0 . . . . . . . . . . . . A . 4 LEU O . . . . . . . . . c30449_6cxr 1 . 3 . 334 . 1 1 5 ARG C C -5.017 -1.596 2.412 . . . 1.0 . . . . . . . . . . . . A . 5 ARG C . . . . . . . . . c30449_6cxr 1 . 3 . 335 . 1 1 5 ARG CA C -4.523 -1.251 1.020 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CA . . . . . . . . . c30449_6cxr 1 . 3 . 336 . 1 1 5 ARG CB C -5.083 -2.205 -0.014 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CB . . . . . . . . . c30449_6cxr 1 . 3 . 337 . 1 1 5 ARG CD C -4.015 -1.350 -2.097 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CD . . . . . . . . . c30449_6cxr 1 . 3 . 338 . 1 1 5 ARG CG C -5.317 -1.530 -1.334 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CG . . . . . . . . . c30449_6cxr 1 . 3 . 339 . 1 1 5 ARG CZ C -4.579 -0.322 -4.266 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CZ . . . . . . . . . c30449_6cxr 1 . 3 . 340 . 1 1 5 ARG H H -2.636 -2.034 0.529 . . . 1.0 . . . . . . . . . . . . A . 5 ARG H . . . . . . . . . c30449_6cxr 1 . 3 . 341 . 1 1 5 ARG HA H -4.816 -0.246 0.766 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HA . . . . . . . . . c30449_6cxr 1 . 3 . 342 . 1 1 5 ARG HB2 H -4.383 -3.004 -0.168 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HB2 . . . . . . . . . c30449_6cxr 1 . 3 . 343 . 1 1 5 ARG HB3 H -6.018 -2.605 0.340 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HB3 . . . . . . . . . c30449_6cxr 1 . 3 . 344 . 1 1 5 ARG HD2 H -3.220 -1.165 -1.385 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HD2 . . . . . . . . . c30449_6cxr 1 . 3 . 345 . 1 1 5 ARG HD3 H -3.804 -2.257 -2.644 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HD3 . . . . . . . . . c30449_6cxr 1 . 3 . 346 . 1 1 5 ARG HE H -3.740 0.634 -2.728 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HE . . . . . . . . . c30449_6cxr 1 . 3 . 347 . 1 1 5 ARG HG2 H -5.993 -2.120 -1.914 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HG2 . . . . . . . . . c30449_6cxr 1 . 3 . 348 . 1 1 5 ARG HG3 H -5.745 -0.567 -1.148 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HG3 . . . . . . . . . c30449_6cxr 1 . 3 . 349 . 1 1 5 ARG HH11 H -5.055 -2.284 -4.126 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH11 . . . . . . . . . c30449_6cxr 1 . 3 . 350 . 1 1 5 ARG HH12 H -5.433 -1.535 -5.640 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH12 . . . . . . . . . c30449_6cxr 1 . 3 . 351 . 1 1 5 ARG HH21 H -4.239 1.618 -4.719 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH21 . . . . . . . . . c30449_6cxr 1 . 3 . 352 . 1 1 5 ARG HH22 H -4.970 0.678 -5.978 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH22 . . . . . . . . . c30449_6cxr 1 . 3 . 353 . 1 1 5 ARG N N -3.084 -1.322 1.026 . . . 1.0 . . . . . . . . . . . . A . 5 ARG N . . . . . . . . . c30449_6cxr 1 . 3 . 354 . 1 1 5 ARG NE N -4.083 -0.231 -3.034 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NE . . . . . . . . . c30449_6cxr 1 . 3 . 355 . 1 1 5 ARG NH1 N -5.062 -1.475 -4.713 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NH1 . . . . . . . . . c30449_6cxr 1 . 3 . 356 . 1 1 5 ARG NH2 N -4.598 0.746 -5.052 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NH2 . . . . . . . . . c30449_6cxr 1 . 3 . 357 . 1 1 5 ARG O O -5.170 -2.767 2.759 . . . 1.0 . . . . . . . . . . . . A . 5 ARG O . . . . . . . . . c30449_6cxr 1 . 3 . 358 . 1 1 6 HIS C C -5.887 0.588 5.272 . . . 1.0 . . . . . . . . . . . . A . 6 HIS C . . . . . . . . . c30449_6cxr 1 . 3 . 359 . 1 1 6 HIS CA C -5.634 -0.757 4.600 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CA . . . . . . . . . c30449_6cxr 1 . 3 . 360 . 1 1 6 HIS CB C -4.542 -1.542 5.345 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CB . . . . . . . . . c30449_6cxr 1 . 3 . 361 . 1 1 6 HIS CD2 C -5.319 -0.883 7.743 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CD2 . . . . . . . . . c30449_6cxr 1 . 3 . 362 . 1 1 6 HIS CE1 C -4.815 -2.757 8.761 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CE1 . . . . . . . . . c30449_6cxr 1 . 3 . 363 . 1 1 6 HIS CG C -4.793 -1.720 6.815 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CG . . . . . . . . . c30449_6cxr 1 . 3 . 364 . 1 1 6 HIS H H -5.040 0.340 2.897 . . . 1.0 . . . . . . . . . . . . A . 6 HIS H . . . . . . . . . c30449_6cxr 1 . 3 . 365 . 1 1 6 HIS HA H -6.547 -1.331 4.602 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HA . . . . . . . . . c30449_6cxr 1 . 3 . 366 . 1 1 6 HIS HB2 H -4.470 -2.531 4.908 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HB2 . . . . . . . . . c30449_6cxr 1 . 3 . 367 . 1 1 6 HIS HB3 H -3.586 -1.030 5.222 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HB3 . . . . . . . . . c30449_6cxr 1 . 3 . 368 . 1 1 6 HIS HD1 H -4.092 -3.689 7.090 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HD1 . . . . . . . . . c30449_6cxr 1 . 3 . 369 . 1 1 6 HIS HD2 H -5.672 0.123 7.572 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HD2 . . . . . . . . . c30449_6cxr 1 . 3 . 370 . 1 1 6 HIS HE1 H -4.689 -3.510 9.525 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HE1 . . . . . . . . . c30449_6cxr 1 . 3 . 371 . 1 1 6 HIS HE2 H -5.718 -1.225 9.775 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HE2 . . . . . . . . . c30449_6cxr 1 . 3 . 372 . 1 1 6 HIS N N -5.215 -0.567 3.223 . . . 1.0 . . . . . . . . . . . . A . 6 HIS N . . . . . . . . . c30449_6cxr 1 . 3 . 373 . 1 1 6 HIS ND1 N -4.488 -2.886 7.487 . . . 1.0 . . . . . . . . . . . . A . 6 HIS ND1 . . . . . . . . . c30449_6cxr 1 . 3 . 374 . 1 1 6 HIS NE2 N -5.320 -1.552 8.941 . . . 1.0 . . . . . . . . . . . . A . 6 HIS NE2 . . . . . . . . . c30449_6cxr 1 . 3 . 375 . 1 1 6 HIS O O -4.901 1.282 5.596 . . . 1.0 . . . . . . . . . . . . A . 6 HIS O . . . . . . . . . c30449_6cxr 1 . 4 . 376 . 1 1 1 HIS C C 5.305 1.257 -3.070 . . . 1.0 . . . . . . . . . . . . A . 1 HIS C . . . . . . . . . c30449_6cxr 1 . 4 . 377 . 1 1 1 HIS CA C 5.520 2.145 -4.291 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CA . . . . . . . . . c30449_6cxr 1 . 4 . 378 . 1 1 1 HIS CB C 4.333 2.023 -5.249 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CB . . . . . . . . . c30449_6cxr 1 . 4 . 379 . 1 1 1 HIS CD2 C 3.762 3.504 -7.301 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CD2 . . . . . . . . . c30449_6cxr 1 . 4 . 380 . 1 1 1 HIS CE1 C 3.696 5.446 -6.286 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CE1 . . . . . . . . . c30449_6cxr 1 . 4 . 381 . 1 1 1 HIS CG C 4.032 3.288 -5.991 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CG . . . . . . . . . c30449_6cxr 1 . 4 . 382 . 1 1 1 HIS H1 H 6.830 2.372 -5.862 . . . 1.0 . . . . . . . . . . . . A . 1 HIS H1 . . . . . . . . . c30449_6cxr 1 . 4 . 383 . 1 1 1 HIS H2 H 6.672 0.762 -5.288 . . . 1.0 . . . . . . . . . . . . A . 1 HIS H2 . . . . . . . . . c30449_6cxr 1 . 4 . 384 . 1 1 1 HIS H3 H 7.563 1.916 -4.381 . . . 1.0 . . . . . . . . . . . . A . 1 HIS H3 . . . . . . . . . c30449_6cxr 1 . 4 . 385 . 1 1 1 HIS HA H 5.613 3.171 -3.969 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HA . . . . . . . . . c30449_6cxr 1 . 4 . 386 . 1 1 1 HIS HB2 H 4.544 1.254 -5.976 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HB2 . . . . . . . . . c30449_6cxr 1 . 4 . 387 . 1 1 1 HIS HB3 H 3.453 1.749 -4.686 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HB3 . . . . . . . . . c30449_6cxr 1 . 4 . 388 . 1 1 1 HIS HD1 H 4.135 4.701 -4.431 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HD1 . . . . . . . . . c30449_6cxr 1 . 4 . 389 . 1 1 1 HIS HD2 H 3.717 2.754 -8.078 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HD2 . . . . . . . . . c30449_6cxr 1 . 4 . 390 . 1 1 1 HIS HE1 H 3.594 6.504 -6.098 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HE1 . . . . . . . . . c30449_6cxr 1 . 4 . 391 . 1 1 1 HIS HE2 H 3.436 5.314 -8.313 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HE2 . . . . . . . . . c30449_6cxr 1 . 4 . 392 . 1 1 1 HIS N N 6.758 1.764 -5.021 . . . 1.0 . . . . . . . . . . . . A . 1 HIS N . . . . . . . . . c30449_6cxr 1 . 4 . 393 . 1 1 1 HIS ND1 N 3.983 4.524 -5.383 . . . 1.0 . . . . . . . . . . . . A . 1 HIS ND1 . . . . . . . . . c30449_6cxr 1 . 4 . 394 . 1 1 1 HIS NE2 N 3.559 4.853 -7.457 . . . 1.0 . . . . . . . . . . . . A . 1 HIS NE2 . . . . . . . . . c30449_6cxr 1 . 4 . 395 . 1 1 1 HIS O O 5.907 0.190 -2.953 . . . 1.0 . . . . . . . . . . . . A . 1 HIS O . . . . . . . . . c30449_6cxr 1 . 4 . 396 . 1 1 2 ARG C C 2.794 1.348 -0.375 . . . 1.0 . . . . . . . . . . . . A . 2 ARG C . . . . . . . . . c30449_6cxr 1 . 4 . 397 . 1 1 2 ARG CA C 4.150 0.950 -0.950 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CA . . . . . . . . . c30449_6cxr 1 . 4 . 398 . 1 1 2 ARG CB C 5.247 1.176 0.093 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CB . . . . . . . . . c30449_6cxr 1 . 4 . 399 . 1 1 2 ARG CD C 6.396 0.113 2.059 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CD . . . . . . . . . c30449_6cxr 1 . 4 . 400 . 1 1 2 ARG CG C 5.070 0.344 1.353 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CG . . . . . . . . . c30449_6cxr 1 . 4 . 401 . 1 1 2 ARG CZ C 7.284 0.379 4.342 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CZ . . . . . . . . . c30449_6cxr 1 . 4 . 402 . 1 1 2 ARG H H 3.995 2.563 -2.312 . . . 1.0 . . . . . . . . . . . . A . 2 ARG H . . . . . . . . . c30449_6cxr 1 . 4 . 403 . 1 1 2 ARG HA H 4.124 -0.097 -1.210 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HA . . . . . . . . . c30449_6cxr 1 . 4 . 404 . 1 1 2 ARG HB2 H 6.202 0.927 -0.346 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB2 . . . . . . . . . c30449_6cxr 1 . 4 . 405 . 1 1 2 ARG HB3 H 5.251 2.219 0.374 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB3 . . . . . . . . . c30449_6cxr 1 . 4 . 406 . 1 1 2 ARG HD2 H 6.767 -0.864 1.790 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD2 . . . . . . . . . c30449_6cxr 1 . 4 . 407 . 1 1 2 ARG HD3 H 7.098 0.867 1.733 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD3 . . . . . . . . . c30449_6cxr 1 . 4 . 408 . 1 1 2 ARG HE H 5.363 0.087 3.889 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HE . . . . . . . . . c30449_6cxr 1 . 4 . 409 . 1 1 2 ARG HG2 H 4.402 0.866 2.026 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG2 . . . . . . . . . c30449_6cxr 1 . 4 . 410 . 1 1 2 ARG HG3 H 4.644 -0.615 1.082 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG3 . . . . . . . . . c30449_6cxr 1 . 4 . 411 . 1 1 2 ARG HH11 H 8.682 0.478 2.883 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH11 . . . . . . . . . c30449_6cxr 1 . 4 . 412 . 1 1 2 ARG HH12 H 9.280 0.662 4.497 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH12 . . . . . . . . . c30449_6cxr 1 . 4 . 413 . 1 1 2 ARG HH21 H 6.148 0.330 6.013 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH21 . . . . . . . . . c30449_6cxr 1 . 4 . 414 . 1 1 2 ARG HH22 H 7.842 0.577 6.274 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH22 . . . . . . . . . c30449_6cxr 1 . 4 . 415 . 1 1 2 ARG N N 4.444 1.705 -2.163 . . . 1.0 . . . . . . . . . . . . A . 2 ARG N . . . . . . . . . c30449_6cxr 1 . 4 . 416 . 1 1 2 ARG NE N 6.262 0.186 3.512 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NE . . . . . . . . . c30449_6cxr 1 . 4 . 417 . 1 1 2 ARG NH1 N 8.516 0.518 3.868 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH1 . . . . . . . . . c30449_6cxr 1 . 4 . 418 . 1 1 2 ARG NH2 N 7.074 0.433 5.650 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH2 . . . . . . . . . c30449_6cxr 1 . 4 . 419 . 1 1 2 ARG O O 2.660 1.582 0.826 . . . 1.0 . . . . . . . . . . . . A . 2 ARG O . . . . . . . . . c30449_6cxr 1 . 4 . 420 . 1 1 3 PHE C C -0.308 0.598 -0.274 . . . 1.0 . . . . . . . . . . . . A . 3 PHE C . . . . . . . . . c30449_6cxr 1 . 4 . 421 . 1 1 3 PHE CA C 0.452 1.799 -0.831 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CA . . . . . . . . . c30449_6cxr 1 . 4 . 422 . 1 1 3 PHE CB C -0.297 2.402 -2.018 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CB . . . . . . . . . c30449_6cxr 1 . 4 . 423 . 1 1 3 PHE CD1 C 0.860 1.921 -4.197 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD1 . . . . . . . . . c30449_6cxr 1 . 4 . 424 . 1 1 3 PHE CD2 C -1.046 0.611 -3.617 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD2 . . . . . . . . . c30449_6cxr 1 . 4 . 425 . 1 1 3 PHE CE1 C 0.989 1.216 -5.378 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE1 . . . . . . . . . c30449_6cxr 1 . 4 . 426 . 1 1 3 PHE CE2 C -0.922 -0.097 -4.797 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE2 . . . . . . . . . c30449_6cxr 1 . 4 . 427 . 1 1 3 PHE CG C -0.157 1.627 -3.302 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CG . . . . . . . . . c30449_6cxr 1 . 4 . 428 . 1 1 3 PHE CZ C 0.097 0.206 -5.679 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CZ . . . . . . . . . c30449_6cxr 1 . 4 . 429 . 1 1 3 PHE H H 1.951 1.239 -2.183 . . . 1.0 . . . . . . . . . . . . A . 3 PHE H . . . . . . . . . c30449_6cxr 1 . 4 . 430 . 1 1 3 PHE HA H 0.539 2.546 -0.056 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HA . . . . . . . . . c30449_6cxr 1 . 4 . 431 . 1 1 3 PHE HB2 H -1.343 2.449 -1.779 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB2 . . . . . . . . . c30449_6cxr 1 . 4 . 432 . 1 1 3 PHE HB3 H 0.082 3.402 -2.195 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB3 . . . . . . . . . c30449_6cxr 1 . 4 . 433 . 1 1 3 PHE HD1 H 1.560 2.710 -3.962 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD1 . . . . . . . . . c30449_6cxr 1 . 4 . 434 . 1 1 3 PHE HD2 H -1.844 0.374 -2.930 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD2 . . . . . . . . . c30449_6cxr 1 . 4 . 435 . 1 1 3 PHE HE1 H 1.786 1.456 -6.067 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE1 . . . . . . . . . c30449_6cxr 1 . 4 . 436 . 1 1 3 PHE HE2 H -1.621 -0.887 -5.030 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE2 . . . . . . . . . c30449_6cxr 1 . 4 . 437 . 1 1 3 PHE HZ H 0.196 -0.346 -6.602 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HZ . . . . . . . . . c30449_6cxr 1 . 4 . 438 . 1 1 3 PHE N N 1.790 1.428 -1.242 . . . 1.0 . . . . . . . . . . . . A . 3 PHE N . . . . . . . . . c30449_6cxr 1 . 4 . 439 . 1 1 3 PHE O O -0.966 -0.133 -1.012 . . . 1.0 . . . . . . . . . . . . A . 3 PHE O . . . . . . . . . c30449_6cxr 1 . 4 . 440 . 1 1 4 LEU C C -2.381 -0.513 1.730 . . . 1.0 . . . . . . . . . . . . A . 4 LEU C . . . . . . . . . c30449_6cxr 1 . 4 . 441 . 1 1 4 LEU CA C -0.879 -0.713 1.695 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CA . . . . . . . . . c30449_6cxr 1 . 4 . 442 . 1 1 4 LEU CB C -0.382 -0.874 3.127 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CB . . . . . . . . . c30449_6cxr 1 . 4 . 443 . 1 1 4 LEU CD1 C 1.790 0.314 3.481 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD1 . . . . . . . . . c30449_6cxr 1 . 4 . 444 . 1 1 4 LEU CD2 C 1.466 -1.992 4.401 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD2 . . . . . . . . . c30449_6cxr 1 . 4 . 445 . 1 1 4 LEU CG C 1.130 -1.037 3.265 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CG . . . . . . . . . c30449_6cxr 1 . 4 . 446 . 1 1 4 LEU H H 0.335 1.007 1.571 . . . 1.0 . . . . . . . . . . . . A . 4 LEU H . . . . . . . . . c30449_6cxr 1 . 4 . 447 . 1 1 4 LEU HA H -0.653 -1.608 1.147 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HA . . . . . . . . . c30449_6cxr 1 . 4 . 448 . 1 1 4 LEU HB2 H -0.689 -0.005 3.692 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB2 . . . . . . . . . c30449_6cxr 1 . 4 . 449 . 1 1 4 LEU HB3 H -0.861 -1.743 3.556 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB3 . . . . . . . . . c30449_6cxr 1 . 4 . 450 . 1 1 4 LEU HD11 H 2.567 0.453 2.745 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD11 . . . . . . . . . c30449_6cxr 1 . 4 . 451 . 1 1 4 LEU HD12 H 2.219 0.354 4.471 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD12 . . . . . . . . . c30449_6cxr 1 . 4 . 452 . 1 1 4 LEU HD13 H 1.052 1.095 3.376 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD13 . . . . . . . . . c30449_6cxr 1 . 4 . 453 . 1 1 4 LEU HD21 H 2.328 -2.583 4.131 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD21 . . . . . . . . . c30449_6cxr 1 . 4 . 454 . 1 1 4 LEU HD22 H 0.625 -2.644 4.584 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD22 . . . . . . . . . c30449_6cxr 1 . 4 . 455 . 1 1 4 LEU HD23 H 1.683 -1.426 5.295 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD23 . . . . . . . . . c30449_6cxr 1 . 4 . 456 . 1 1 4 LEU HG H 1.522 -1.452 2.349 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HG . . . . . . . . . c30449_6cxr 1 . 4 . 457 . 1 1 4 LEU N N -0.207 0.398 1.036 . . . 1.0 . . . . . . . . . . . . A . 4 LEU N . . . . . . . . . c30449_6cxr 1 . 4 . 458 . 1 1 4 LEU O O -2.875 0.375 2.426 . . . 1.0 . . . . . . . . . . . . A . 4 LEU O . . . . . . . . . c30449_6cxr 1 . 4 . 459 . 1 1 5 ARG C C -5.028 -1.575 2.444 . . . 1.0 . . . . . . . . . . . . A . 5 ARG C . . . . . . . . . c30449_6cxr 1 . 4 . 460 . 1 1 5 ARG CA C -4.553 -1.266 1.037 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CA . . . . . . . . . c30449_6cxr 1 . 4 . 461 . 1 1 5 ARG CB C -5.140 -2.234 0.032 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CB . . . . . . . . . c30449_6cxr 1 . 4 . 462 . 1 1 5 ARG CD C -4.051 -1.502 -2.086 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CD . . . . . . . . . c30449_6cxr 1 . 4 . 463 . 1 1 5 ARG CG C -5.352 -1.595 -1.309 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CG . . . . . . . . . c30449_6cxr 1 . 4 . 464 . 1 1 5 ARG CZ C -4.567 -0.738 -4.374 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CZ . . . . . . . . . c30449_6cxr 1 . 4 . 465 . 1 1 5 ARG H H -2.685 -2.068 0.505 . . . 1.0 . . . . . . . . . . . . A . 5 ARG H . . . . . . . . . c30449_6cxr 1 . 4 . 466 . 1 1 5 ARG HA H -4.838 -0.262 0.766 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HA . . . . . . . . . c30449_6cxr 1 . 4 . 467 . 1 1 5 ARG HB2 H -4.463 -3.058 -0.096 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HB2 . . . . . . . . . c30449_6cxr 1 . 4 . 468 . 1 1 5 ARG HB3 H -6.085 -2.595 0.396 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HB3 . . . . . . . . . c30449_6cxr 1 . 4 . 469 . 1 1 5 ARG HD2 H -3.256 -1.236 -1.399 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HD2 . . . . . . . . . c30449_6cxr 1 . 4 . 470 . 1 1 5 ARG HD3 H -3.837 -2.464 -2.527 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HD3 . . . . . . . . . c30449_6cxr 1 . 4 . 471 . 1 1 5 ARG HE H -3.814 0.408 -2.924 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HE . . . . . . . . . c30449_6cxr 1 . 4 . 472 . 1 1 5 ARG HG2 H -6.060 -2.174 -1.864 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HG2 . . . . . . . . . c30449_6cxr 1 . 4 . 473 . 1 1 5 ARG HG3 H -5.735 -0.608 -1.154 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HG3 . . . . . . . . . c30449_6cxr 1 . 4 . 474 . 1 1 5 ARG HH11 H -4.994 -2.687 -4.033 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH11 . . . . . . . . . c30449_6cxr 1 . 4 . 475 . 1 1 5 ARG HH12 H -5.335 -2.121 -5.633 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH12 . . . . . . . . . c30449_6cxr 1 . 4 . 476 . 1 1 5 ARG HH21 H -4.266 1.150 -5.028 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH21 . . . . . . . . . c30449_6cxr 1 . 4 . 477 . 1 1 5 ARG HH22 H -4.923 0.055 -6.198 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH22 . . . . . . . . . c30449_6cxr 1 . 4 . 478 . 1 1 5 ARG N N -3.115 -1.358 1.020 . . . 1.0 . . . . . . . . . . . . A . 5 ARG N . . . . . . . . . c30449_6cxr 1 . 4 . 479 . 1 1 5 ARG NE N -4.119 -0.496 -3.143 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NE . . . . . . . . . c30449_6cxr 1 . 4 . 480 . 1 1 5 ARG NH1 N -5.001 -1.948 -4.707 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NH1 . . . . . . . . . c30449_6cxr 1 . 4 . 481 . 1 1 5 ARG NH2 N -4.587 0.235 -5.274 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NH2 . . . . . . . . . c30449_6cxr 1 . 4 . 482 . 1 1 5 ARG O O -5.191 -2.736 2.819 . . . 1.0 . . . . . . . . . . . . A . 5 ARG O . . . . . . . . . c30449_6cxr 1 . 4 . 483 . 1 1 6 HIS C C -5.820 0.685 5.267 . . . 1.0 . . . . . . . . . . . . A . 6 HIS C . . . . . . . . . c30449_6cxr 1 . 4 . 484 . 1 1 6 HIS CA C -5.595 -0.680 4.624 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CA . . . . . . . . . c30449_6cxr 1 . 4 . 485 . 1 1 6 HIS CB C -4.499 -1.462 5.367 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CB . . . . . . . . . c30449_6cxr 1 . 4 . 486 . 1 1 6 HIS CD2 C -5.214 -0.723 7.761 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CD2 . . . . . . . . . c30449_6cxr 1 . 4 . 487 . 1 1 6 HIS CE1 C -4.701 -2.570 8.824 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CE1 . . . . . . . . . c30449_6cxr 1 . 4 . 488 . 1 1 6 HIS CG C -4.718 -1.593 6.847 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CG . . . . . . . . . c30449_6cxr 1 . 4 . 489 . 1 1 6 HIS H H -5.015 0.371 2.887 . . . 1.0 . . . . . . . . . . . . A . 6 HIS H . . . . . . . . . c30449_6cxr 1 . 4 . 490 . 1 1 6 HIS HA H -6.515 -1.241 4.655 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HA . . . . . . . . . c30449_6cxr 1 . 4 . 491 . 1 1 6 HIS HB2 H -4.455 -2.464 4.957 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HB2 . . . . . . . . . c30449_6cxr 1 . 4 . 492 . 1 1 6 HIS HB3 H -3.538 -0.970 5.205 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HB3 . . . . . . . . . c30449_6cxr 1 . 4 . 493 . 1 1 6 HIS HD1 H -4.026 -3.558 7.165 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HD1 . . . . . . . . . c30449_6cxr 1 . 4 . 494 . 1 1 6 HIS HD2 H -5.564 0.280 7.568 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HD2 . . . . . . . . . c30449_6cxr 1 . 4 . 495 . 1 1 6 HIS HE1 H -4.563 -3.300 9.607 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HE1 . . . . . . . . . c30449_6cxr 1 . 4 . 496 . 1 1 6 HIS HE2 H -5.399 -0.936 9.841 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HE2 . . . . . . . . . c30449_6cxr 1 . 4 . 497 . 1 1 6 HIS N N -5.198 -0.526 3.236 . . . 1.0 . . . . . . . . . . . . A . 6 HIS N . . . . . . . . . c30449_6cxr 1 . 4 . 498 . 1 1 6 HIS ND1 N -4.406 -2.740 7.547 . . . 1.0 . . . . . . . . . . . . A . 6 HIS ND1 . . . . . . . . . c30449_6cxr 1 . 4 . 499 . 1 1 6 HIS NE2 N -5.192 -1.355 8.979 . . . 1.0 . . . . . . . . . . . . A . 6 HIS NE2 . . . . . . . . . c30449_6cxr 1 . 4 . 500 . 1 1 6 HIS O O -4.823 1.314 5.681 . . . 1.0 . . . . . . . . . . . . A . 6 HIS O . . . . . . . . . c30449_6cxr 1 . 5 . 501 . 1 1 1 HIS C C 5.085 0.814 -3.196 . . . 1.0 . . . . . . . . . . . . A . 1 HIS C . . . . . . . . . c30449_6cxr 1 . 5 . 502 . 1 1 1 HIS CA C 5.259 1.525 -4.534 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CA . . . . . . . . . c30449_6cxr 1 . 5 . 503 . 1 1 1 HIS CB C 5.496 0.504 -5.647 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CB . . . . . . . . . c30449_6cxr 1 . 5 . 504 . 1 1 1 HIS CD2 C 6.967 1.168 -7.678 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CD2 . . . . . . . . . c30449_6cxr 1 . 5 . 505 . 1 1 1 HIS CE1 C 5.446 2.241 -8.837 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CE1 . . . . . . . . . c30449_6cxr 1 . 5 . 506 . 1 1 1 HIS CG C 5.812 1.126 -6.972 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CG . . . . . . . . . c30449_6cxr 1 . 5 . 507 . 1 1 1 HIS H1 H 6.361 3.060 -5.347 . . . 1.0 . . . . . . . . . . . . A . 1 HIS H1 . . . . . . . . . c30449_6cxr 1 . 5 . 508 . 1 1 1 HIS H2 H 7.282 1.894 -4.489 . . . 1.0 . . . . . . . . . . . . A . 1 HIS H2 . . . . . . . . . c30449_6cxr 1 . 5 . 509 . 1 1 1 HIS H3 H 6.328 3.035 -3.633 . . . 1.0 . . . . . . . . . . . . A . 1 HIS H3 . . . . . . . . . c30449_6cxr 1 . 5 . 510 . 1 1 1 HIS HA H 4.363 2.088 -4.752 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HA . . . . . . . . . c30449_6cxr 1 . 5 . 511 . 1 1 1 HIS HB2 H 6.325 -0.131 -5.373 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HB2 . . . . . . . . . c30449_6cxr 1 . 5 . 512 . 1 1 1 HIS HB3 H 4.609 -0.101 -5.766 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HB3 . . . . . . . . . c30449_6cxr 1 . 5 . 513 . 1 1 1 HIS HD1 H 3.942 1.952 -7.481 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HD1 . . . . . . . . . c30449_6cxr 1 . 5 . 514 . 1 1 1 HIS HD2 H 7.913 0.733 -7.387 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HD2 . . . . . . . . . c30449_6cxr 1 . 5 . 515 . 1 1 1 HIS HE1 H 4.958 2.807 -9.616 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HE1 . . . . . . . . . c30449_6cxr 1 . 5 . 516 . 1 1 1 HIS HE2 H 7.341 1.992 -9.573 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HE2 . . . . . . . . . c30449_6cxr 1 . 5 . 517 . 1 1 1 HIS N N 6.411 2.463 -4.497 . . . 1.0 . . . . . . . . . . . . A . 1 HIS N . . . . . . . . . c30449_6cxr 1 . 5 . 518 . 1 1 1 HIS ND1 N 4.880 1.808 -7.725 . . . 1.0 . . . . . . . . . . . . A . 1 HIS ND1 . . . . . . . . . c30449_6cxr 1 . 5 . 519 . 1 1 1 HIS NE2 N 6.712 1.866 -8.833 . . . 1.0 . . . . . . . . . . . . A . 1 HIS NE2 . . . . . . . . . c30449_6cxr 1 . 5 . 520 . 1 1 1 HIS O O 5.500 -0.334 -3.033 . . . 1.0 . . . . . . . . . . . . A . 1 HIS O . . . . . . . . . c30449_6cxr 1 . 5 . 521 . 1 1 2 ARG C C 2.893 1.380 -0.359 . . . 1.0 . . . . . . . . . . . . A . 2 ARG C . . . . . . . . . c30449_6cxr 1 . 5 . 522 . 1 1 2 ARG CA C 4.240 0.934 -0.917 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CA . . . . . . . . . c30449_6cxr 1 . 5 . 523 . 1 1 2 ARG CB C 5.365 1.344 0.037 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CB . . . . . . . . . c30449_6cxr 1 . 5 . 524 . 1 1 2 ARG CD C 6.636 0.602 2.072 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CD . . . . . . . . . c30449_6cxr 1 . 5 . 525 . 1 1 2 ARG CG C 5.272 0.689 1.406 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CG . . . . . . . . . c30449_6cxr 1 . 5 . 526 . 1 1 2 ARG CZ C 7.540 0.843 4.352 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CZ . . . . . . . . . c30449_6cxr 1 . 5 . 527 . 1 1 2 ARG H H 4.160 2.412 -2.430 . . . 1.0 . . . . . . . . . . . . A . 2 ARG H . . . . . . . . . c30449_6cxr 1 . 5 . 528 . 1 1 2 ARG HA H 4.236 -0.140 -1.015 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HA . . . . . . . . . c30449_6cxr 1 . 5 . 529 . 1 1 2 ARG HB2 H 6.312 1.072 -0.404 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB2 . . . . . . . . . c30449_6cxr 1 . 5 . 530 . 1 1 2 ARG HB3 H 5.334 2.415 0.171 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB3 . . . . . . . . . c30449_6cxr 1 . 5 . 531 . 1 1 2 ARG HD2 H 7.132 -0.294 1.731 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD2 . . . . . . . . . c30449_6cxr 1 . 5 . 532 . 1 1 2 ARG HD3 H 7.218 1.466 1.785 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD3 . . . . . . . . . c30449_6cxr 1 . 5 . 533 . 1 1 2 ARG HE H 5.667 0.311 3.914 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HE . . . . . . . . . c30449_6cxr 1 . 5 . 534 . 1 1 2 ARG HG2 H 4.614 1.278 2.033 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG2 . . . . . . . . . c30449_6cxr 1 . 5 . 535 . 1 1 2 ARG HG3 H 4.873 -0.311 1.290 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG3 . . . . . . . . . c30449_6cxr 1 . 5 . 536 . 1 1 2 ARG HH11 H 8.870 1.234 2.879 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH11 . . . . . . . . . c30449_6cxr 1 . 5 . 537 . 1 1 2 ARG HH12 H 9.480 1.396 4.491 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH12 . . . . . . . . . c30449_6cxr 1 . 5 . 538 . 1 1 2 ARG HH21 H 6.468 0.524 6.035 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH21 . . . . . . . . . c30449_6cxr 1 . 5 . 539 . 1 1 2 ARG HH22 H 8.117 0.993 6.283 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH22 . . . . . . . . . c30449_6cxr 1 . 5 . 540 . 1 1 2 ARG N N 4.469 1.502 -2.241 . . . 1.0 . . . . . . . . . . . . A . 2 ARG N . . . . . . . . . c30449_6cxr 1 . 5 . 541 . 1 1 2 ARG NE N 6.533 0.561 3.529 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NE . . . . . . . . . c30449_6cxr 1 . 5 . 542 . 1 1 2 ARG NH1 N 8.728 1.186 3.867 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH1 . . . . . . . . . c30449_6cxr 1 . 5 . 543 . 1 1 2 ARG NH2 N 7.361 0.782 5.664 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH2 . . . . . . . . . c30449_6cxr 1 . 5 . 544 . 1 1 2 ARG O O 2.763 1.656 0.834 . . . 1.0 . . . . . . . . . . . . A . 2 ARG O . . . . . . . . . c30449_6cxr 1 . 5 . 545 . 1 1 3 PHE C C -0.221 0.696 -0.245 . . . 1.0 . . . . . . . . . . . . A . 3 PHE C . . . . . . . . . c30449_6cxr 1 . 5 . 546 . 1 1 3 PHE CA C 0.564 1.864 -0.837 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CA . . . . . . . . . c30449_6cxr 1 . 5 . 547 . 1 1 3 PHE CB C -0.167 2.443 -2.048 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CB . . . . . . . . . c30449_6cxr 1 . 5 . 548 . 1 1 3 PHE CD1 C -0.920 0.607 -3.593 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD1 . . . . . . . . . c30449_6cxr 1 . 5 . 549 . 1 1 3 PHE CD2 C 0.992 1.892 -4.207 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD2 . . . . . . . . . c30449_6cxr 1 . 5 . 550 . 1 1 3 PHE CE1 C -0.796 -0.137 -4.750 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE1 . . . . . . . . . c30449_6cxr 1 . 5 . 551 . 1 1 3 PHE CE2 C 1.121 1.150 -5.366 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE2 . . . . . . . . . c30449_6cxr 1 . 5 . 552 . 1 1 3 PHE CG C -0.029 1.629 -3.307 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CG . . . . . . . . . c30449_6cxr 1 . 5 . 553 . 1 1 3 PHE CZ C 0.226 0.134 -5.638 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CZ . . . . . . . . . c30449_6cxr 1 . 5 . 554 . 1 1 3 PHE H H 2.056 1.228 -2.164 . . . 1.0 . . . . . . . . . . . . A . 3 PHE H . . . . . . . . . c30449_6cxr 1 . 5 . 555 . 1 1 3 PHE HA H 0.663 2.634 -0.087 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HA . . . . . . . . . c30449_6cxr 1 . 5 . 556 . 1 1 3 PHE HB2 H -1.215 2.512 -1.819 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB2 . . . . . . . . . c30449_6cxr 1 . 5 . 557 . 1 1 3 PHE HB3 H 0.227 3.431 -2.250 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB3 . . . . . . . . . c30449_6cxr 1 . 5 . 558 . 1 1 3 PHE HD1 H -1.720 0.394 -2.901 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD1 . . . . . . . . . c30449_6cxr 1 . 5 . 559 . 1 1 3 PHE HD2 H 1.693 2.685 -3.996 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD2 . . . . . . . . . c30449_6cxr 1 . 5 . 560 . 1 1 3 PHE HE1 H -1.498 -0.931 -4.960 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE1 . . . . . . . . . c30449_6cxr 1 . 5 . 561 . 1 1 3 PHE HE2 H 1.922 1.364 -6.058 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE2 . . . . . . . . . c30449_6cxr 1 . 5 . 562 . 1 1 3 PHE HZ H 0.325 -0.446 -6.543 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HZ . . . . . . . . . c30449_6cxr 1 . 5 . 563 . 1 1 3 PHE N N 1.894 1.452 -1.231 . . . 1.0 . . . . . . . . . . . . A . 3 PHE N . . . . . . . . . c30449_6cxr 1 . 5 . 564 . 1 1 3 PHE O O -0.889 -0.047 -0.962 . . . 1.0 . . . . . . . . . . . . A . 3 PHE O . . . . . . . . . c30449_6cxr 1 . 5 . 565 . 1 1 4 LEU C C -2.320 -0.369 1.733 . . . 1.0 . . . . . . . . . . . . A . 4 LEU C . . . . . . . . . c30449_6cxr 1 . 5 . 566 . 1 1 4 LEU CA C -0.814 -0.541 1.765 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CA . . . . . . . . . c30449_6cxr 1 . 5 . 567 . 1 1 4 LEU CB C -0.372 -0.603 3.220 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CB . . . . . . . . . c30449_6cxr 1 . 5 . 568 . 1 1 4 LEU CD1 C 1.875 0.386 3.687 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD1 . . . . . . . . . c30449_6cxr 1 . 5 . 569 . 1 1 4 LEU CD2 C 1.316 -1.894 4.553 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD2 . . . . . . . . . c30449_6cxr 1 . 5 . 570 . 1 1 4 LEU CG C 1.112 -0.899 3.420 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CG . . . . . . . . . c30449_6cxr 1 . 5 . 571 . 1 1 4 LEU H H 0.431 1.153 1.587 . . . 1.0 . . . . . . . . . . . . A . 4 LEU H . . . . . . . . . c30449_6cxr 1 . 5 . 572 . 1 1 4 LEU HA H -0.551 -1.466 1.285 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HA . . . . . . . . . c30449_6cxr 1 . 5 . 573 . 1 1 4 LEU HB2 H -0.599 0.348 3.680 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB2 . . . . . . . . . c30449_6cxr 1 . 5 . 574 . 1 1 4 LEU HB3 H -0.950 -1.370 3.719 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB3 . . . . . . . . . c30449_6cxr 1 . 5 . 575 . 1 1 4 LEU HD11 H 2.042 0.493 4.748 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD11 . . . . . . . . . c30449_6cxr 1 . 5 . 576 . 1 1 4 LEU HD12 H 1.299 1.224 3.326 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD12 . . . . . . . . . c30449_6cxr 1 . 5 . 577 . 1 1 4 LEU HD13 H 2.823 0.353 3.173 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD13 . . . . . . . . . c30449_6cxr 1 . 5 . 578 . 1 1 4 LEU HD21 H 2.122 -2.567 4.300 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD21 . . . . . . . . . c30449_6cxr 1 . 5 . 579 . 1 1 4 LEU HD22 H 0.408 -2.460 4.703 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD22 . . . . . . . . . c30449_6cxr 1 . 5 . 580 . 1 1 4 LEU HD23 H 1.562 -1.362 5.460 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD23 . . . . . . . . . c30449_6cxr 1 . 5 . 581 . 1 1 4 LEU HG H 1.505 -1.332 2.513 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HG . . . . . . . . . c30449_6cxr 1 . 5 . 582 . 1 1 4 LEU N N -0.125 0.537 1.070 . . . 1.0 . . . . . . . . . . . . A . 4 LEU N . . . . . . . . . c30449_6cxr 1 . 5 . 583 . 1 1 4 LEU O O -2.859 0.532 2.376 . . . 1.0 . . . . . . . . . . . . A . 4 LEU O . . . . . . . . . c30449_6cxr 1 . 5 . 584 . 1 1 5 ARG C C -4.973 -1.571 2.362 . . . 1.0 . . . . . . . . . . . . A . 5 ARG C . . . . . . . . . c30449_6cxr 1 . 5 . 585 . 1 1 5 ARG CA C -4.449 -1.197 0.988 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CA . . . . . . . . . c30449_6cxr 1 . 5 . 586 . 1 1 5 ARG CB C -4.980 -2.136 -0.074 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CB . . . . . . . . . c30449_6cxr 1 . 5 . 587 . 1 1 5 ARG CD C -3.931 -1.169 -2.116 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CD . . . . . . . . . c30449_6cxr 1 . 5 . 588 . 1 1 5 ARG CG C -5.230 -1.430 -1.375 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CG . . . . . . . . . c30449_6cxr 1 . 5 . 589 . 1 1 5 ARG CZ C -4.567 0.057 -4.157 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CZ . . . . . . . . . c30449_6cxr 1 . 5 . 590 . 1 1 5 ARG H H -2.544 -1.977 0.561 . . . 1.0 . . . . . . . . . . . . A . 5 ARG H . . . . . . . . . c30449_6cxr 1 . 5 . 591 . 1 1 5 ARG HA H -4.744 -0.190 0.745 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HA . . . . . . . . . c30449_6cxr 1 . 5 . 592 . 1 1 5 ARG HB2 H -4.258 -2.910 -0.250 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HB2 . . . . . . . . . c30449_6cxr 1 . 5 . 593 . 1 1 5 ARG HB3 H -5.905 -2.572 0.265 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HB3 . . . . . . . . . c30449_6cxr 1 . 5 . 594 . 1 1 5 ARG HD2 H -3.138 -1.040 -1.389 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HD2 . . . . . . . . . c30449_6cxr 1 . 5 . 595 . 1 1 5 ARG HD3 H -3.711 -2.020 -2.743 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HD3 . . . . . . . . . c30449_6cxr 1 . 5 . 596 . 1 1 5 ARG HE H -3.629 0.856 -2.588 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HE . . . . . . . . . c30449_6cxr 1 . 5 . 597 . 1 1 5 ARG HG2 H -5.874 -2.030 -1.981 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HG2 . . . . . . . . . c30449_6cxr 1 . 5 . 598 . 1 1 5 ARG HG3 H -5.703 -0.494 -1.163 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HG3 . . . . . . . . . c30449_6cxr 1 . 5 . 599 . 1 1 5 ARG HH11 H -5.084 -1.898 -4.163 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH11 . . . . . . . . . c30449_6cxr 1 . 5 . 600 . 1 1 5 ARG HH12 H -5.515 -1.013 -5.587 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH12 . . . . . . . . . c30449_6cxr 1 . 5 . 601 . 1 1 5 ARG HH21 H -4.196 2.021 -4.459 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH21 . . . . . . . . . c30449_6cxr 1 . 5 . 602 . 1 1 5 ARG HH22 H -5.011 1.212 -5.756 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH22 . . . . . . . . . c30449_6cxr 1 . 5 . 603 . 1 1 5 ARG N N -3.008 -1.256 1.028 . . . 1.0 . . . . . . . . . . . . A . 5 ARG N . . . . . . . . . c30449_6cxr 1 . 5 . 604 . 1 1 5 ARG NE N -4.010 0.029 -2.948 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NE . . . . . . . . . c30449_6cxr 1 . 5 . 605 . 1 1 5 ARG NH1 N -5.098 -1.042 -4.678 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NH1 . . . . . . . . . c30449_6cxr 1 . 5 . 606 . 1 1 5 ARG NH2 N -4.594 1.190 -4.847 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NH2 . . . . . . . . . c30449_6cxr 1 . 5 . 607 . 1 1 5 ARG O O -5.124 -2.749 2.684 . . . 1.0 . . . . . . . . . . . . A . 5 ARG O . . . . . . . . . c30449_6cxr 1 . 5 . 608 . 1 1 6 HIS C C -5.920 0.551 5.247 . . . 1.0 . . . . . . . . . . . . A . 6 HIS C . . . . . . . . . c30449_6cxr 1 . 5 . 609 . 1 1 6 HIS CA C -5.654 -0.779 4.549 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CA . . . . . . . . . c30449_6cxr 1 . 5 . 610 . 1 1 6 HIS CB C -4.583 -1.585 5.302 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CB . . . . . . . . . c30449_6cxr 1 . 5 . 611 . 1 1 6 HIS CD2 C -5.425 -0.994 7.694 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CD2 . . . . . . . . . c30449_6cxr 1 . 5 . 612 . 1 1 6 HIS CE1 C -4.968 -2.905 8.666 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CE1 . . . . . . . . . c30449_6cxr 1 . 5 . 613 . 1 1 6 HIS CG C -4.879 -1.807 6.756 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CG . . . . . . . . . c30449_6cxr 1 . 5 . 614 . 1 1 6 HIS H H -5.027 0.356 2.882 . . . 1.0 . . . . . . . . . . . . A . 6 HIS H . . . . . . . . . c30449_6cxr 1 . 5 . 615 . 1 1 6 HIS HA H -6.568 -1.350 4.515 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HA . . . . . . . . . c30449_6cxr 1 . 5 . 616 . 1 1 6 HIS HB2 H -4.495 -2.560 4.837 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HB2 . . . . . . . . . c30449_6cxr 1 . 5 . 617 . 1 1 6 HIS HB3 H -3.625 -1.067 5.224 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HB3 . . . . . . . . . c30449_6cxr 1 . 5 . 618 . 1 1 6 HIS HD1 H -4.205 -3.791 6.988 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HD1 . . . . . . . . . c30449_6cxr 1 . 5 . 619 . 1 1 6 HIS HD2 H -5.764 0.020 7.546 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HD2 . . . . . . . . . c30449_6cxr 1 . 5 . 620 . 1 1 6 HIS HE1 H -4.871 -3.683 9.409 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HE1 . . . . . . . . . c30449_6cxr 1 . 5 . 621 . 1 1 6 HIS HE2 H -5.888 -1.398 9.702 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HE2 . . . . . . . . . c30449_6cxr 1 . 5 . 622 . 1 1 6 HIS N N -5.202 -0.559 3.186 . . . 1.0 . . . . . . . . . . . . A . 6 HIS N . . . . . . . . . c30449_6cxr 1 . 5 . 623 . 1 1 6 HIS ND1 N -4.605 -2.996 7.400 . . . 1.0 . . . . . . . . . . . . A . 6 HIS ND1 . . . . . . . . . c30449_6cxr 1 . 5 . 624 . 1 1 6 HIS NE2 N -5.467 -1.701 8.871 . . . 1.0 . . . . . . . . . . . . A . 6 HIS NE2 . . . . . . . . . c30449_6cxr 1 . 5 . 625 . 1 1 6 HIS O O -7.091 0.813 5.591 . . . 1.0 . . . . . . . . . . . . A . 6 HIS O . . . . . . . . . c30449_6cxr 1 . 6 . 626 . 1 1 1 HIS C C 5.265 1.085 -3.080 . . . 1.0 . . . . . . . . . . . . A . 1 HIS C . . . . . . . . . c30449_6cxr 1 . 6 . 627 . 1 1 1 HIS CA C 5.422 1.798 -4.419 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CA . . . . . . . . . c30449_6cxr 1 . 6 . 628 . 1 1 1 HIS CB C 4.631 1.064 -5.503 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CB . . . . . . . . . c30449_6cxr 1 . 6 . 629 . 1 1 1 HIS CD2 C 4.830 -1.520 -5.377 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CD2 . . . . . . . . . c30449_6cxr 1 . 6 . 630 . 1 1 1 HIS CE1 C 6.475 -1.784 -6.802 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CE1 . . . . . . . . . c30449_6cxr 1 . 6 . 631 . 1 1 1 HIS CG C 5.178 -0.291 -5.829 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CG . . . . . . . . . c30449_6cxr 1 . 6 . 632 . 1 1 1 HIS H1 H 7.322 2.564 -4.235 . . . 1.0 . . . . . . . . . . . . A . 1 HIS H1 . . . . . . . . . c30449_6cxr 1 . 6 . 633 . 1 1 1 HIS H2 H 6.876 2.133 -5.835 . . . 1.0 . . . . . . . . . . . . A . 1 HIS H2 . . . . . . . . . c30449_6cxr 1 . 6 . 634 . 1 1 1 HIS H3 H 7.259 0.913 -4.691 . . . 1.0 . . . . . . . . . . . . A . 1 HIS H3 . . . . . . . . . c30449_6cxr 1 . 6 . 635 . 1 1 1 HIS HA H 5.048 2.807 -4.327 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HA . . . . . . . . . c30449_6cxr 1 . 6 . 636 . 1 1 1 HIS HB2 H 3.611 0.939 -5.173 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HB2 . . . . . . . . . c30449_6cxr 1 . 6 . 637 . 1 1 1 HIS HB3 H 4.641 1.654 -6.408 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HB3 . . . . . . . . . c30449_6cxr 1 . 6 . 638 . 1 1 1 HIS HD1 H 6.682 0.209 -7.217 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HD1 . . . . . . . . . c30449_6cxr 1 . 6 . 639 . 1 1 1 HIS HD2 H 4.051 -1.742 -4.661 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HD2 . . . . . . . . . c30449_6cxr 1 . 6 . 640 . 1 1 1 HIS HE1 H 7.235 -2.236 -7.421 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HE1 . . . . . . . . . c30449_6cxr 1 . 6 . 641 . 1 1 1 HIS HE2 H 5.574 -3.404 -5.930 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HE2 . . . . . . . . . c30449_6cxr 1 . 6 . 642 . 1 1 1 HIS N N 6.849 1.857 -4.832 . . . 1.0 . . . . . . . . . . . . A . 1 HIS N . . . . . . . . . c30449_6cxr 1 . 6 . 643 . 1 1 1 HIS ND1 N 6.212 -0.492 -6.719 . . . 1.0 . . . . . . . . . . . . A . 1 HIS ND1 . . . . . . . . . c30449_6cxr 1 . 6 . 644 . 1 1 1 HIS NE2 N 5.651 -2.429 -5.997 . . . 1.0 . . . . . . . . . . . . A . 1 HIS NE2 . . . . . . . . . c30449_6cxr 1 . 6 . 645 . 1 1 1 HIS O O 5.912 0.069 -2.827 . . . 1.0 . . . . . . . . . . . . A . 1 HIS O . . . . . . . . . c30449_6cxr 1 . 6 . 646 . 1 1 2 ARG C C 2.794 1.451 -0.375 . . . 1.0 . . . . . . . . . . . . A . 2 ARG C . . . . . . . . . c30449_6cxr 1 . 6 . 647 . 1 1 2 ARG CA C 4.160 1.039 -0.912 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CA . . . . . . . . . c30449_6cxr 1 . 6 . 648 . 1 1 2 ARG CB C 5.257 1.460 0.067 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CB . . . . . . . . . c30449_6cxr 1 . 6 . 649 . 1 1 2 ARG CD C 6.484 0.689 2.120 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CD . . . . . . . . . c30449_6cxr 1 . 6 . 650 . 1 1 2 ARG CG C 5.131 0.811 1.436 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CG . . . . . . . . . c30449_6cxr 1 . 6 . 651 . 1 1 2 ARG CZ C 8.283 2.216 2.830 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CZ . . . . . . . . . c30449_6cxr 1 . 6 . 652 . 1 1 2 ARG H H 3.916 2.435 -2.484 . . . 1.0 . . . . . . . . . . . . A . 2 ARG H . . . . . . . . . c30449_6cxr 1 . 6 . 653 . 1 1 2 ARG HA H 4.179 -0.034 -1.020 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HA . . . . . . . . . c30449_6cxr 1 . 6 . 654 . 1 1 2 ARG HB2 H 6.217 1.191 -0.348 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB2 . . . . . . . . . c30449_6cxr 1 . 6 . 655 . 1 1 2 ARG HB3 H 5.217 2.531 0.196 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB3 . . . . . . . . . c30449_6cxr 1 . 6 . 656 . 1 1 2 ARG HD2 H 6.377 0.059 2.990 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD2 . . . . . . . . . c30449_6cxr 1 . 6 . 657 . 1 1 2 ARG HD3 H 7.182 0.236 1.431 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD3 . . . . . . . . . c30449_6cxr 1 . 6 . 658 . 1 1 2 ARG HE H 6.368 2.731 2.604 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HE . . . . . . . . . c30449_6cxr 1 . 6 . 659 . 1 1 2 ARG HG2 H 4.481 1.418 2.052 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG2 . . . . . . . . . c30449_6cxr 1 . 6 . 660 . 1 1 2 ARG HG3 H 4.706 -0.179 1.318 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG3 . . . . . . . . . c30449_6cxr 1 . 6 . 661 . 1 1 2 ARG HH11 H 8.887 0.319 2.471 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH11 . . . . . . . . . c30449_6cxr 1 . 6 . 662 . 1 1 2 ARG HH12 H 10.133 1.413 2.971 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH12 . . . . . . . . . c30449_6cxr 1 . 6 . 663 . 1 1 2 ARG HH21 H 8.005 4.171 3.262 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH21 . . . . . . . . . c30449_6cxr 1 . 6 . 664 . 1 1 2 ARG HH22 H 9.632 3.599 3.421 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH22 . . . . . . . . . c30449_6cxr 1 . 6 . 665 . 1 1 2 ARG N N 4.402 1.625 -2.226 . . . 1.0 . . . . . . . . . . . . A . 2 ARG N . . . . . . . . . c30449_6cxr 1 . 6 . 666 . 1 1 2 ARG NE N 7.004 1.989 2.537 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NE . . . . . . . . . c30449_6cxr 1 . 6 . 667 . 1 1 2 ARG NH1 N 9.174 1.235 2.751 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH1 . . . . . . . . . c30449_6cxr 1 . 6 . 668 . 1 1 2 ARG NH2 N 8.672 3.428 3.201 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH2 . . . . . . . . . c30449_6cxr 1 . 6 . 669 . 1 1 2 ARG O O 2.640 1.726 0.815 . . . 1.0 . . . . . . . . . . . . A . 2 ARG O . . . . . . . . . c30449_6cxr 1 . 6 . 670 . 1 1 3 PHE C C -0.296 0.684 -0.296 . . . 1.0 . . . . . . . . . . . . A . 3 PHE C . . . . . . . . . c30449_6cxr 1 . 6 . 671 . 1 1 3 PHE CA C 0.460 1.873 -0.882 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CA . . . . . . . . . c30449_6cxr 1 . 6 . 672 . 1 1 3 PHE CB C -0.275 2.427 -2.101 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CB . . . . . . . . . c30449_6cxr 1 . 6 . 673 . 1 1 3 PHE CD1 C -0.992 0.575 -3.644 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD1 . . . . . . . . . c30449_6cxr 1 . 6 . 674 . 1 1 3 PHE CD2 C 0.917 1.872 -4.243 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD2 . . . . . . . . . c30449_6cxr 1 . 6 . 675 . 1 1 3 PHE CE1 C -0.847 -0.176 -4.795 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE1 . . . . . . . . . c30449_6cxr 1 . 6 . 676 . 1 1 3 PHE CE2 C 1.068 1.124 -5.395 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE2 . . . . . . . . . c30449_6cxr 1 . 6 . 677 . 1 1 3 PHE CG C -0.113 1.606 -3.353 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CG . . . . . . . . . c30449_6cxr 1 . 6 . 678 . 1 1 3 PHE CZ C 0.185 0.099 -5.671 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CZ . . . . . . . . . c30449_6cxr 1 . 6 . 679 . 1 1 3 PHE H H 1.982 1.272 -2.191 . . . 1.0 . . . . . . . . . . . . A . 3 PHE H . . . . . . . . . c30449_6cxr 1 . 6 . 680 . 1 1 3 PHE HA H 0.530 2.646 -0.132 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HA . . . . . . . . . c30449_6cxr 1 . 6 . 681 . 1 1 3 PHE HB2 H -1.325 2.477 -1.879 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB2 . . . . . . . . . c30449_6cxr 1 . 6 . 682 . 1 1 3 PHE HB3 H 0.101 3.422 -2.309 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB3 . . . . . . . . . c30449_6cxr 1 . 6 . 683 . 1 1 3 PHE HD1 H -1.800 0.359 -2.961 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD1 . . . . . . . . . c30449_6cxr 1 . 6 . 684 . 1 1 3 PHE HD2 H 1.609 2.673 -4.028 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD2 . . . . . . . . . c30449_6cxr 1 . 6 . 685 . 1 1 3 PHE HE1 H -1.539 -0.977 -5.009 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE1 . . . . . . . . . c30449_6cxr 1 . 6 . 686 . 1 1 3 PHE HE2 H 1.875 1.341 -6.079 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE2 . . . . . . . . . c30449_6cxr 1 . 6 . 687 . 1 1 3 PHE HZ H 0.300 -0.487 -6.572 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HZ . . . . . . . . . c30449_6cxr 1 . 6 . 688 . 1 1 3 PHE N N 1.804 1.495 -1.260 . . . 1.0 . . . . . . . . . . . . A . 3 PHE N . . . . . . . . . c30449_6cxr 1 . 6 . 689 . 1 1 3 PHE O O -0.939 -0.077 -1.016 . . . 1.0 . . . . . . . . . . . . A . 3 PHE O . . . . . . . . . c30449_6cxr 1 . 6 . 690 . 1 1 4 LEU C C -2.372 -0.399 1.732 . . . 1.0 . . . . . . . . . . . . A . 4 LEU C . . . . . . . . . c30449_6cxr 1 . 6 . 691 . 1 1 4 LEU CA C -0.866 -0.568 1.711 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CA . . . . . . . . . c30449_6cxr 1 . 6 . 692 . 1 1 4 LEU CB C -0.371 -0.662 3.148 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CB . . . . . . . . . c30449_6cxr 1 . 6 . 693 . 1 1 4 LEU CD1 C 1.899 0.281 3.596 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD1 . . . . . . . . . c30449_6cxr 1 . 6 . 694 . 1 1 4 LEU CD2 C 1.349 -2.042 4.345 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD2 . . . . . . . . . c30449_6cxr 1 . 6 . 695 . 1 1 4 LEU CG C 1.116 -0.979 3.282 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CG . . . . . . . . . c30449_6cxr 1 . 6 . 696 . 1 1 4 LEU H H 0.333 1.156 1.540 . . . 1.0 . . . . . . . . . . . . A . 4 LEU H . . . . . . . . . c30449_6cxr 1 . 6 . 697 . 1 1 4 LEU HA H -0.616 -1.479 1.200 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HA . . . . . . . . . c30449_6cxr 1 . 6 . 698 . 1 1 4 LEU HB2 H -0.569 0.282 3.635 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB2 . . . . . . . . . c30449_6cxr 1 . 6 . 699 . 1 1 4 LEU HB3 H -0.938 -1.433 3.654 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB3 . . . . . . . . . c30449_6cxr 1 . 6 . 700 . 1 1 4 LEU HD11 H 2.935 0.029 3.766 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD11 . . . . . . . . . c30449_6cxr 1 . 6 . 701 . 1 1 4 LEU HD12 H 1.490 0.749 4.478 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD12 . . . . . . . . . c30449_6cxr 1 . 6 . 702 . 1 1 4 LEU HD13 H 1.827 0.961 2.761 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD13 . . . . . . . . . c30449_6cxr 1 . 6 . 703 . 1 1 4 LEU HD21 H 0.447 -2.618 4.483 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD21 . . . . . . . . . c30449_6cxr 1 . 6 . 704 . 1 1 4 LEU HD22 H 1.618 -1.566 5.277 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD22 . . . . . . . . . c30449_6cxr 1 . 6 . 705 . 1 1 4 LEU HD23 H 2.149 -2.696 4.031 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD23 . . . . . . . . . c30449_6cxr 1 . 6 . 706 . 1 1 4 LEU HG H 1.474 -1.359 2.338 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HG . . . . . . . . . c30449_6cxr 1 . 6 . 707 . 1 1 4 LEU N N -0.204 0.527 1.021 . . . 1.0 . . . . . . . . . . . . A . 4 LEU N . . . . . . . . . c30449_6cxr 1 . 6 . 708 . 1 1 4 LEU O O -2.892 0.482 2.416 . . . 1.0 . . . . . . . . . . . . A . 4 LEU O . . . . . . . . . c30449_6cxr 1 . 6 . 709 . 1 1 5 ARG C C -5.002 -1.601 2.413 . . . 1.0 . . . . . . . . . . . . A . 5 ARG C . . . . . . . . . c30449_6cxr 1 . 6 . 710 . 1 1 5 ARG CA C -4.520 -1.212 1.028 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CA . . . . . . . . . c30449_6cxr 1 . 6 . 711 . 1 1 5 ARG CB C -5.077 -2.144 -0.028 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CB . . . . . . . . . c30449_6cxr 1 . 6 . 712 . 1 1 5 ARG CD C -4.036 -1.227 -2.096 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CD . . . . . . . . . c30449_6cxr 1 . 6 . 713 . 1 1 5 ARG CG C -5.328 -1.436 -1.327 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CG . . . . . . . . . c30449_6cxr 1 . 6 . 714 . 1 1 5 ARG CZ C -4.650 -0.049 -4.172 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CZ . . . . . . . . . c30449_6cxr 1 . 6 . 715 . 1 1 5 ARG H H -2.628 -1.974 0.521 . . . 1.0 . . . . . . . . . . . . A . 5 ARG H . . . . . . . . . c30449_6cxr 1 . 6 . 716 . 1 1 5 ARG HA H -4.825 -0.204 0.803 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HA . . . . . . . . . c30449_6cxr 1 . 6 . 717 . 1 1 5 ARG HB2 H -4.370 -2.930 -0.209 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HB2 . . . . . . . . . c30449_6cxr 1 . 6 . 718 . 1 1 5 ARG HB3 H -6.005 -2.564 0.322 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HB3 . . . . . . . . . c30449_6cxr 1 . 6 . 719 . 1 1 5 ARG HD2 H -3.228 -1.097 -1.385 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HD2 . . . . . . . . . c30449_6cxr 1 . 6 . 720 . 1 1 5 ARG HD3 H -3.845 -2.100 -2.702 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HD3 . . . . . . . . . c30449_6cxr 1 . 6 . 721 . 1 1 5 ARG HE H -3.712 0.782 -2.619 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HE . . . . . . . . . c30449_6cxr 1 . 6 . 722 . 1 1 5 ARG HG2 H -6.006 -2.016 -1.917 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HG2 . . . . . . . . . c30449_6cxr 1 . 6 . 723 . 1 1 5 ARG HG3 H -5.762 -0.482 -1.111 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HG3 . . . . . . . . . c30449_6cxr 1 . 6 . 724 . 1 1 5 ARG HH11 H -5.187 -1.999 -4.130 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH11 . . . . . . . . . c30449_6cxr 1 . 6 . 725 . 1 1 5 ARG HH12 H -5.602 -1.146 -5.579 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH12 . . . . . . . . . c30449_6cxr 1 . 6 . 726 . 1 1 5 ARG HH21 H -4.259 1.903 -4.523 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH21 . . . . . . . . . c30449_6cxr 1 . 6 . 727 . 1 1 5 ARG HH22 H -5.076 1.068 -5.802 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH22 . . . . . . . . . c30449_6cxr 1 . 6 . 728 . 1 1 5 ARG N N -3.080 -1.268 1.024 . . . 1.0 . . . . . . . . . . . . A . 5 ARG N . . . . . . . . . c30449_6cxr 1 . 6 . 729 . 1 1 5 ARG NE N -4.099 -0.051 -2.960 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NE . . . . . . . . . c30449_6cxr 1 . 6 . 730 . 1 1 5 ARG NH1 N -5.190 -1.156 -4.667 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NH1 . . . . . . . . . c30449_6cxr 1 . 6 . 731 . 1 1 5 ARG NH2 N -4.663 1.066 -4.892 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NH2 . . . . . . . . . c30449_6cxr 1 . 6 . 732 . 1 1 5 ARG O O -5.141 -2.783 2.728 . . . 1.0 . . . . . . . . . . . . A . 5 ARG O . . . . . . . . . c30449_6cxr 1 . 6 . 733 . 1 1 6 HIS C C -5.861 0.491 5.345 . . . 1.0 . . . . . . . . . . . . A . 6 HIS C . . . . . . . . . c30449_6cxr 1 . 6 . 734 . 1 1 6 HIS CA C -5.618 -0.832 4.627 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CA . . . . . . . . . c30449_6cxr 1 . 6 . 735 . 1 1 6 HIS CB C -4.525 -1.646 5.339 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CB . . . . . . . . . c30449_6cxr 1 . 6 . 736 . 1 1 6 HIS CD2 C -5.293 -1.076 7.762 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CD2 . . . . . . . . . c30449_6cxr 1 . 6 . 737 . 1 1 6 HIS CE1 C -4.804 -2.994 8.704 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CE1 . . . . . . . . . c30449_6cxr 1 . 6 . 738 . 1 1 6 HIS CG C -4.776 -1.880 6.800 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CG . . . . . . . . . c30449_6cxr 1 . 6 . 739 . 1 1 6 HIS H H -5.044 0.321 2.953 . . . 1.0 . . . . . . . . . . . . A . 6 HIS H . . . . . . . . . c30449_6cxr 1 . 6 . 740 . 1 1 6 HIS HA H -6.534 -1.401 4.615 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HA . . . . . . . . . c30449_6cxr 1 . 6 . 741 . 1 1 6 HIS HB2 H -4.455 -2.617 4.863 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HB2 . . . . . . . . . c30449_6cxr 1 . 6 . 742 . 1 1 6 HIS HB3 H -3.570 -1.129 5.235 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HB3 . . . . . . . . . c30449_6cxr 1 . 6 . 743 . 1 1 6 HIS HD1 H -4.091 -3.864 6.995 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HD1 . . . . . . . . . c30449_6cxr 1 . 6 . 744 . 1 1 6 HIS HD2 H -5.638 -0.061 7.632 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HD2 . . . . . . . . . c30449_6cxr 1 . 6 . 745 . 1 1 6 HIS HE1 H -4.683 -3.778 9.436 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HE1 . . . . . . . . . c30449_6cxr 1 . 6 . 746 . 1 1 6 HIS HE2 H -5.531 -1.437 9.816 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HE2 . . . . . . . . . c30449_6cxr 1 . 6 . 747 . 1 1 6 HIS N N -5.208 -0.598 3.254 . . . 1.0 . . . . . . . . . . . . A . 6 HIS N . . . . . . . . . c30449_6cxr 1 . 6 . 748 . 1 1 6 HIS ND1 N -4.480 -3.074 7.425 . . . 1.0 . . . . . . . . . . . . A . 6 HIS ND1 . . . . . . . . . c30449_6cxr 1 . 6 . 749 . 1 1 6 HIS NE2 N -5.298 -1.792 8.933 . . . 1.0 . . . . . . . . . . . . A . 6 HIS NE2 . . . . . . . . . c30449_6cxr 1 . 6 . 750 . 1 1 6 HIS O O -7.037 0.901 5.448 . . . 1.0 . . . . . . . . . . . . A . 6 HIS O . . . . . . . . . c30449_6cxr 1 . 7 . 751 . 1 1 1 HIS C C 5.121 0.984 -3.134 . . . 1.0 . . . . . . . . . . . . A . 1 HIS C . . . . . . . . . c30449_6cxr 1 . 7 . 752 . 1 1 1 HIS CA C 5.299 1.721 -4.457 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CA . . . . . . . . . c30449_6cxr 1 . 7 . 753 . 1 1 1 HIS CB C 4.872 0.825 -5.622 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CB . . . . . . . . . c30449_6cxr 1 . 7 . 754 . 1 1 1 HIS CD2 C 5.996 1.438 -7.878 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CD2 . . . . . . . . . c30449_6cxr 1 . 7 . 755 . 1 1 1 HIS CE1 C 4.421 2.737 -8.678 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CE1 . . . . . . . . . c30449_6cxr 1 . 7 . 756 . 1 1 1 HIS CG C 5.001 1.483 -6.960 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CG . . . . . . . . . c30449_6cxr 1 . 7 . 757 . 1 1 1 HIS H1 H 7.261 1.262 -4.876 . . . 1.0 . . . . . . . . . . . . A . 1 HIS H1 . . . . . . . . . c30449_6cxr 1 . 7 . 758 . 1 1 1 HIS H2 H 7.048 2.570 -3.784 . . . 1.0 . . . . . . . . . . . . A . 1 HIS H2 . . . . . . . . . c30449_6cxr 1 . 7 . 759 . 1 1 1 HIS H3 H 6.744 2.789 -5.459 . . . 1.0 . . . . . . . . . . . . A . 1 HIS H3 . . . . . . . . . c30449_6cxr 1 . 7 . 760 . 1 1 1 HIS HA H 4.688 2.611 -4.450 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HA . . . . . . . . . c30449_6cxr 1 . 7 . 761 . 1 1 1 HIS HB2 H 5.487 -0.062 -5.628 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HB2 . . . . . . . . . c30449_6cxr 1 . 7 . 762 . 1 1 1 HIS HB3 H 3.839 0.541 -5.488 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HB3 . . . . . . . . . c30449_6cxr 1 . 7 . 763 . 1 1 1 HIS HD1 H 3.180 2.538 -7.063 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HD1 . . . . . . . . . c30449_6cxr 1 . 7 . 764 . 1 1 1 HIS HD2 H 6.921 0.885 -7.794 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HD2 . . . . . . . . . c30449_6cxr 1 . 7 . 765 . 1 1 1 HIS HE1 H 3.863 3.397 -9.326 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HE1 . . . . . . . . . c30449_6cxr 1 . 7 . 766 . 1 1 1 HIS HE2 H 6.167 2.451 -9.709 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HE2 . . . . . . . . . c30449_6cxr 1 . 7 . 767 . 1 1 1 HIS N N 6.716 2.122 -4.663 . . . 1.0 . . . . . . . . . . . . A . 1 HIS N . . . . . . . . . c30449_6cxr 1 . 7 . 768 . 1 1 1 HIS ND1 N 4.030 2.306 -7.491 . . . 1.0 . . . . . . . . . . . . A . 1 HIS ND1 . . . . . . . . . c30449_6cxr 1 . 7 . 769 . 1 1 1 HIS NE2 N 5.610 2.225 -8.935 . . . 1.0 . . . . . . . . . . . . A . 1 HIS NE2 . . . . . . . . . c30449_6cxr 1 . 7 . 770 . 1 1 1 HIS O O 5.590 -0.143 -2.972 . . . 1.0 . . . . . . . . . . . . A . 1 HIS O . . . . . . . . . c30449_6cxr 1 . 7 . 771 . 1 1 2 ARG C C 2.829 1.425 -0.349 . . . 1.0 . . . . . . . . . . . . A . 2 ARG C . . . . . . . . . c30449_6cxr 1 . 7 . 772 . 1 1 2 ARG CA C 4.202 1.032 -0.882 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CA . . . . . . . . . c30449_6cxr 1 . 7 . 773 . 1 1 2 ARG CB C 5.289 1.463 0.104 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CB . . . . . . . . . c30449_6cxr 1 . 7 . 774 . 1 1 2 ARG CD C 6.561 0.772 2.156 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CD . . . . . . . . . c30449_6cxr 1 . 7 . 775 . 1 1 2 ARG CG C 5.220 0.745 1.441 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CG . . . . . . . . . c30449_6cxr 1 . 7 . 776 . 1 1 2 ARG CZ C 6.415 -0.979 3.885 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CZ . . . . . . . . . c30449_6cxr 1 . 7 . 777 . 1 1 2 ARG H H 4.092 2.523 -2.380 . . . 1.0 . . . . . . . . . . . . A . 2 ARG H . . . . . . . . . c30449_6cxr 1 . 7 . 778 . 1 1 2 ARG HA H 4.235 -0.041 -0.996 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HA . . . . . . . . . c30449_6cxr 1 . 7 . 779 . 1 1 2 ARG HB2 H 6.256 1.267 -0.336 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB2 . . . . . . . . . c30449_6cxr 1 . 7 . 780 . 1 1 2 ARG HB3 H 5.195 2.524 0.284 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB3 . . . . . . . . . c30449_6cxr 1 . 7 . 781 . 1 1 2 ARG HD2 H 7.252 0.136 1.623 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD2 . . . . . . . . . c30449_6cxr 1 . 7 . 782 . 1 1 2 ARG HD3 H 6.933 1.786 2.156 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD3 . . . . . . . . . c30449_6cxr 1 . 7 . 783 . 1 1 2 ARG HE H 6.412 0.984 4.242 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HE . . . . . . . . . c30449_6cxr 1 . 7 . 784 . 1 1 2 ARG HG2 H 4.481 1.234 2.064 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG2 . . . . . . . . . c30449_6cxr 1 . 7 . 785 . 1 1 2 ARG HG3 H 4.932 -0.286 1.271 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG3 . . . . . . . . . c30449_6cxr 1 . 7 . 786 . 1 1 2 ARG HH11 H 6.543 -1.681 1.992 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH11 . . . . . . . . . c30449_6cxr 1 . 7 . 787 . 1 1 2 ARG HH12 H 6.440 -2.891 3.226 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH12 . . . . . . . . . c30449_6cxr 1 . 7 . 788 . 1 1 2 ARG HH21 H 6.277 -0.606 5.866 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH21 . . . . . . . . . c30449_6cxr 1 . 7 . 789 . 1 1 2 ARG HH22 H 6.288 -2.281 5.425 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH22 . . . . . . . . . c30449_6cxr 1 . 7 . 790 . 1 1 2 ARG N N 4.441 1.627 -2.191 . . . 1.0 . . . . . . . . . . . . A . 2 ARG N . . . . . . . . . c30449_6cxr 1 . 7 . 791 . 1 1 2 ARG NE N 6.455 0.305 3.537 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NE . . . . . . . . . c30449_6cxr 1 . 7 . 792 . 1 1 2 ARG NH1 N 6.471 -1.928 2.958 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH1 . . . . . . . . . c30449_6cxr 1 . 7 . 793 . 1 1 2 ARG NH2 N 6.319 -1.317 5.163 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH2 . . . . . . . . . c30449_6cxr 1 . 7 . 794 . 1 1 2 ARG O O 2.666 1.690 0.842 . . . 1.0 . . . . . . . . . . . . A . 2 ARG O . . . . . . . . . c30449_6cxr 1 . 7 . 795 . 1 1 3 PHE C C -0.260 0.630 -0.298 . . . 1.0 . . . . . . . . . . . . A . 3 PHE C . . . . . . . . . c30449_6cxr 1 . 7 . 796 . 1 1 3 PHE CA C 0.494 1.829 -0.868 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CA . . . . . . . . . c30449_6cxr 1 . 7 . 797 . 1 1 3 PHE CB C -0.237 2.387 -2.089 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CB . . . . . . . . . c30449_6cxr 1 . 7 . 798 . 1 1 3 PHE CD1 C 0.972 1.839 -4.223 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD1 . . . . . . . . . c30449_6cxr 1 . 7 . 799 . 1 1 3 PHE CD2 C -0.949 0.547 -3.648 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD2 . . . . . . . . . c30449_6cxr 1 . 7 . 800 . 1 1 3 PHE CE1 C 1.129 1.097 -5.378 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE1 . . . . . . . . . c30449_6cxr 1 . 7 . 801 . 1 1 3 PHE CE2 C -0.796 -0.198 -4.802 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE2 . . . . . . . . . c30449_6cxr 1 . 7 . 802 . 1 1 3 PHE CG C -0.067 1.573 -3.344 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CG . . . . . . . . . c30449_6cxr 1 . 7 . 803 . 1 1 3 PHE CZ C 0.244 0.077 -5.668 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CZ . . . . . . . . . c30449_6cxr 1 . 7 . 804 . 1 1 3 PHE H H 2.031 1.253 -2.170 . . . 1.0 . . . . . . . . . . . . A . 3 PHE H . . . . . . . . . c30449_6cxr 1 . 7 . 805 . 1 1 3 PHE HA H 0.551 2.597 -0.112 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HA . . . . . . . . . c30449_6cxr 1 . 7 . 806 . 1 1 3 PHE HB2 H -1.288 2.433 -1.871 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB2 . . . . . . . . . c30449_6cxr 1 . 7 . 807 . 1 1 3 PHE HB3 H 0.136 3.384 -2.290 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB3 . . . . . . . . . c30449_6cxr 1 . 7 . 808 . 1 1 3 PHE HD1 H 1.666 2.635 -3.997 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD1 . . . . . . . . . c30449_6cxr 1 . 7 . 809 . 1 1 3 PHE HD2 H -1.763 0.331 -2.974 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD2 . . . . . . . . . c30449_6cxr 1 . 7 . 810 . 1 1 3 PHE HE1 H 1.942 1.315 -6.054 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE1 . . . . . . . . . c30449_6cxr 1 . 7 . 811 . 1 1 3 PHE HE2 H -1.489 -0.996 -5.026 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE2 . . . . . . . . . c30449_6cxr 1 . 7 . 812 . 1 1 3 PHE HZ H 0.365 -0.504 -6.570 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HZ . . . . . . . . . c30449_6cxr 1 . 7 . 813 . 1 1 3 PHE N N 1.844 1.466 -1.239 . . . 1.0 . . . . . . . . . . . . A . 3 PHE N . . . . . . . . . c30449_6cxr 1 . 7 . 814 . 1 1 3 PHE O O -0.892 -0.129 -1.031 . . . 1.0 . . . . . . . . . . . . A . 3 PHE O . . . . . . . . . c30449_6cxr 1 . 7 . 815 . 1 1 4 LEU C C -2.353 -0.451 1.721 . . . 1.0 . . . . . . . . . . . . A . 4 LEU C . . . . . . . . . c30449_6cxr 1 . 7 . 816 . 1 1 4 LEU CA C -0.850 -0.642 1.689 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CA . . . . . . . . . c30449_6cxr 1 . 7 . 817 . 1 1 4 LEU CB C -0.353 -0.782 3.123 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CB . . . . . . . . . c30449_6cxr 1 . 7 . 818 . 1 1 4 LEU CD1 C 1.820 0.402 3.474 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD1 . . . . . . . . . c30449_6cxr 1 . 7 . 819 . 1 1 4 LEU CD2 C 1.493 -1.903 4.396 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD2 . . . . . . . . . c30449_6cxr 1 . 7 . 820 . 1 1 4 LEU CG C 1.157 -0.947 3.260 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CG . . . . . . . . . c30449_6cxr 1 . 7 . 821 . 1 1 4 LEU H H 0.341 1.092 1.550 . . . 1.0 . . . . . . . . . . . . A . 4 LEU H . . . . . . . . . c30449_6cxr 1 . 7 . 822 . 1 1 4 LEU HA H -0.617 -1.542 1.153 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HA . . . . . . . . . c30449_6cxr 1 . 7 . 823 . 1 1 4 LEU HB2 H -0.656 0.099 3.672 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB2 . . . . . . . . . c30449_6cxr 1 . 7 . 824 . 1 1 4 LEU HB3 H -0.837 -1.641 3.567 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB3 . . . . . . . . . c30449_6cxr 1 . 7 . 825 . 1 1 4 LEU HD11 H 2.228 0.451 4.472 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD11 . . . . . . . . . c30449_6cxr 1 . 7 . 826 . 1 1 4 LEU HD12 H 1.088 1.185 3.344 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD12 . . . . . . . . . c30449_6cxr 1 . 7 . 827 . 1 1 4 LEU HD13 H 2.614 0.528 2.753 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD13 . . . . . . . . . c30449_6cxr 1 . 7 . 828 . 1 1 4 LEU HD21 H 2.343 -2.508 4.118 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD21 . . . . . . . . . c30449_6cxr 1 . 7 . 829 . 1 1 4 LEU HD22 H 0.644 -2.541 4.592 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD22 . . . . . . . . . c30449_6cxr 1 . 7 . 830 . 1 1 4 LEU HD23 H 1.730 -1.336 5.285 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD23 . . . . . . . . . c30449_6cxr 1 . 7 . 831 . 1 1 4 LEU HG H 1.547 -1.363 2.343 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HG . . . . . . . . . c30449_6cxr 1 . 7 . 832 . 1 1 4 LEU N N -0.182 0.463 1.018 . . . 1.0 . . . . . . . . . . . . A . 4 LEU N . . . . . . . . . c30449_6cxr 1 . 7 . 833 . 1 1 4 LEU O O -2.856 0.420 2.431 . . . 1.0 . . . . . . . . . . . . A . 4 LEU O . . . . . . . . . c30449_6cxr 1 . 7 . 834 . 1 1 5 ARG C C -4.998 -1.564 2.400 . . . 1.0 . . . . . . . . . . . . A . 5 ARG C . . . . . . . . . c30449_6cxr 1 . 7 . 835 . 1 1 5 ARG CA C -4.518 -1.204 1.006 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CA . . . . . . . . . c30449_6cxr 1 . 7 . 836 . 1 1 5 ARG CB C -5.099 -2.138 -0.034 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CB . . . . . . . . . c30449_6cxr 1 . 7 . 837 . 1 1 5 ARG CD C -4.045 -1.259 -2.115 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CD . . . . . . . . . c30449_6cxr 1 . 7 . 838 . 1 1 5 ARG CG C -5.340 -1.441 -1.342 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CG . . . . . . . . . c30449_6cxr 1 . 7 . 839 . 1 1 5 ARG CZ C -4.653 -0.061 -4.181 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CZ . . . . . . . . . c30449_6cxr 1 . 7 . 840 . 1 1 5 ARG H H -2.643 -1.987 0.468 . . . 1.0 . . . . . . . . . . . . A . 5 ARG H . . . . . . . . . c30449_6cxr 1 . 7 . 841 . 1 1 5 ARG HA H -4.806 -0.193 0.770 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HA . . . . . . . . . c30449_6cxr 1 . 7 . 842 . 1 1 5 ARG HB2 H -4.408 -2.941 -0.208 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HB2 . . . . . . . . . c30449_6cxr 1 . 7 . 843 . 1 1 5 ARG HB3 H -6.033 -2.533 0.324 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HB3 . . . . . . . . . c30449_6cxr 1 . 7 . 844 . 1 1 5 ARG HD2 H -3.232 -1.149 -1.406 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HD2 . . . . . . . . . c30449_6cxr 1 . 7 . 845 . 1 1 5 ARG HD3 H -3.876 -2.136 -2.722 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HD3 . . . . . . . . . c30449_6cxr 1 . 7 . 846 . 1 1 5 ARG HE H -3.670 0.739 -2.640 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HE . . . . . . . . . c30449_6cxr 1 . 7 . 847 . 1 1 5 ARG HG2 H -6.027 -2.017 -1.924 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HG2 . . . . . . . . . c30449_6cxr 1 . 7 . 848 . 1 1 5 ARG HG3 H -5.760 -0.478 -1.136 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HG3 . . . . . . . . . c30449_6cxr 1 . 7 . 849 . 1 1 5 ARG HH11 H -5.242 -1.996 -4.134 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH11 . . . . . . . . . c30449_6cxr 1 . 7 . 850 . 1 1 5 ARG HH12 H -5.655 -1.130 -5.575 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH12 . . . . . . . . . c30449_6cxr 1 . 7 . 851 . 1 1 5 ARG HH21 H -4.214 1.879 -4.535 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH21 . . . . . . . . . c30449_6cxr 1 . 7 . 852 . 1 1 5 ARG HH22 H -5.071 1.070 -5.803 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH22 . . . . . . . . . c30449_6cxr 1 . 7 . 853 . 1 1 5 ARG N N -3.079 -1.288 0.992 . . . 1.0 . . . . . . . . . . . . A . 5 ARG N . . . . . . . . . c30449_6cxr 1 . 7 . 854 . 1 1 5 ARG NE N -4.086 -0.081 -2.977 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NE . . . . . . . . . c30449_6cxr 1 . 7 . 855 . 1 1 5 ARG NH1 N -5.231 -1.152 -4.670 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NH1 . . . . . . . . . c30449_6cxr 1 . 7 . 856 . 1 1 5 ARG NH2 N -4.645 1.054 -4.898 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NH2 . . . . . . . . . c30449_6cxr 1 . 7 . 857 . 1 1 5 ARG O O -5.156 -2.739 2.733 . . . 1.0 . . . . . . . . . . . . A . 5 ARG O . . . . . . . . . c30449_6cxr 1 . 7 . 858 . 1 1 6 HIS C C -5.820 0.591 5.295 . . . 1.0 . . . . . . . . . . . . A . 6 HIS C . . . . . . . . . c30449_6cxr 1 . 7 . 859 . 1 1 6 HIS CA C -5.579 -0.748 4.606 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CA . . . . . . . . . c30449_6cxr 1 . 7 . 860 . 1 1 6 HIS CB C -4.481 -1.544 5.329 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CB . . . . . . . . . c30449_6cxr 1 . 7 . 861 . 1 1 6 HIS CD2 C -5.229 -0.913 7.743 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CD2 . . . . . . . . . c30449_6cxr 1 . 7 . 862 . 1 1 6 HIS CE1 C -4.724 -2.803 8.731 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CE1 . . . . . . . . . c30449_6cxr 1 . 7 . 863 . 1 1 6 HIS CG C -4.717 -1.741 6.798 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CG . . . . . . . . . c30449_6cxr 1 . 7 . 864 . 1 1 6 HIS H H -4.997 0.365 2.910 . . . 1.0 . . . . . . . . . . . . A . 6 HIS H . . . . . . . . . c30449_6cxr 1 . 7 . 865 . 1 1 6 HIS HA H -6.494 -1.319 4.612 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HA . . . . . . . . . c30449_6cxr 1 . 7 . 866 . 1 1 6 HIS HB2 H -4.416 -2.527 4.879 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HB2 . . . . . . . . . c30449_6cxr 1 . 7 . 867 . 1 1 6 HIS HB3 H -3.525 -1.032 5.202 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HB3 . . . . . . . . . c30449_6cxr 1 . 7 . 868 . 1 1 6 HIS HD1 H -4.022 -3.715 7.040 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HD1 . . . . . . . . . c30449_6cxr 1 . 7 . 869 . 1 1 6 HIS HD2 H -5.580 0.097 7.589 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HD2 . . . . . . . . . c30449_6cxr 1 . 7 . 870 . 1 1 6 HIS HE1 H -4.593 -3.566 9.484 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HE1 . . . . . . . . . c30449_6cxr 1 . 7 . 871 . 1 1 6 HIS HE2 H -5.464 -1.225 9.805 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HE2 . . . . . . . . . c30449_6cxr 1 . 7 . 872 . 1 1 6 HIS N N -5.176 -0.545 3.226 . . . 1.0 . . . . . . . . . . . . A . 6 HIS N . . . . . . . . . c30449_6cxr 1 . 7 . 873 . 1 1 6 HIS ND1 N -4.411 -2.916 7.453 . . . 1.0 . . . . . . . . . . . . A . 6 HIS ND1 . . . . . . . . . c30449_6cxr 1 . 7 . 874 . 1 1 6 HIS NE2 N -5.221 -1.598 8.932 . . . 1.0 . . . . . . . . . . . . A . 6 HIS NE2 . . . . . . . . . c30449_6cxr 1 . 7 . 875 . 1 1 6 HIS O O -6.999 0.929 5.533 . . . 1.0 . . . . . . . . . . . . A . 6 HIS O . . . . . . . . . c30449_6cxr 1 . 8 . 876 . 1 1 1 HIS C C 5.398 1.310 -2.949 . . . 1.0 . . . . . . . . . . . . A . 1 HIS C . . . . . . . . . c30449_6cxr 1 . 8 . 877 . 1 1 1 HIS CA C 5.573 2.097 -4.245 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CA . . . . . . . . . c30449_6cxr 1 . 8 . 878 . 1 1 1 HIS CB C 4.210 2.393 -4.877 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CB . . . . . . . . . c30449_6cxr 1 . 8 . 879 . 1 1 1 HIS CD2 C 4.123 4.792 -5.860 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CD2 . . . . . . . . . c30449_6cxr 1 . 8 . 880 . 1 1 1 HIS CE1 C 3.050 5.772 -4.218 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CE1 . . . . . . . . . c30449_6cxr 1 . 8 . 881 . 1 1 1 HIS CG C 3.874 3.851 -4.917 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CG . . . . . . . . . c30449_6cxr 1 . 8 . 882 . 1 1 1 HIS H1 H 5.980 0.390 -5.319 . . . 1.0 . . . . . . . . . . . . A . 1 HIS H1 . . . . . . . . . c30449_6cxr 1 . 8 . 883 . 1 1 1 HIS H2 H 7.365 1.291 -4.856 . . . 1.0 . . . . . . . . . . . . A . 1 HIS H2 . . . . . . . . . c30449_6cxr 1 . 8 . 884 . 1 1 1 HIS H3 H 6.361 1.851 -6.130 . . . 1.0 . . . . . . . . . . . . A . 1 HIS H3 . . . . . . . . . c30449_6cxr 1 . 8 . 885 . 1 1 1 HIS HA H 6.073 3.028 -4.026 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HA . . . . . . . . . c30449_6cxr 1 . 8 . 886 . 1 1 1 HIS HB2 H 4.204 2.024 -5.891 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HB2 . . . . . . . . . c30449_6cxr 1 . 8 . 887 . 1 1 1 HIS HB3 H 3.440 1.889 -4.311 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HB3 . . . . . . . . . c30449_6cxr 1 . 8 . 888 . 1 1 1 HIS HD1 H 2.882 4.085 -3.073 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HD1 . . . . . . . . . c30449_6cxr 1 . 8 . 889 . 1 1 1 HIS HD2 H 4.637 4.639 -6.798 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HD2 . . . . . . . . . c30449_6cxr 1 . 8 . 890 . 1 1 1 HIS HE1 H 2.560 6.520 -3.612 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HE1 . . . . . . . . . c30449_6cxr 1 . 8 . 891 . 1 1 1 HIS HE2 H 3.711 6.850 -5.828 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HE2 . . . . . . . . . c30449_6cxr 1 . 8 . 892 . 1 1 1 HIS N N 6.393 1.339 -5.226 . . . 1.0 . . . . . . . . . . . . A . 1 HIS N . . . . . . . . . c30449_6cxr 1 . 8 . 893 . 1 1 1 HIS ND1 N 3.202 4.498 -3.902 . . . 1.0 . . . . . . . . . . . . A . 1 HIS ND1 . . . . . . . . . c30449_6cxr 1 . 8 . 894 . 1 1 1 HIS NE2 N 3.601 5.976 -5.400 . . . 1.0 . . . . . . . . . . . . A . 1 HIS NE2 . . . . . . . . . c30449_6cxr 1 . 8 . 895 . 1 1 1 HIS O O 6.106 0.333 -2.705 . . . 1.0 . . . . . . . . . . . . A . 1 HIS O . . . . . . . . . c30449_6cxr 1 . 8 . 896 . 1 1 2 ARG C C 2.809 1.457 -0.314 . . . 1.0 . . . . . . . . . . . . A . 2 ARG C . . . . . . . . . c30449_6cxr 1 . 8 . 897 . 1 1 2 ARG CA C 4.185 1.077 -0.852 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CA . . . . . . . . . c30449_6cxr 1 . 8 . 898 . 1 1 2 ARG CB C 5.265 1.438 0.171 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CB . . . . . . . . . c30449_6cxr 1 . 8 . 899 . 1 1 2 ARG CD C 6.484 0.626 2.212 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CD . . . . . . . . . c30449_6cxr 1 . 8 . 900 . 1 1 2 ARG CG C 5.157 0.659 1.472 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CG . . . . . . . . . c30449_6cxr 1 . 8 . 901 . 1 1 2 ARG CZ C 5.863 1.971 4.183 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CZ . . . . . . . . . c30449_6cxr 1 . 8 . 902 . 1 1 2 ARG H H 3.920 2.527 -2.372 . . . 1.0 . . . . . . . . . . . . A . 2 ARG H . . . . . . . . . c30449_6cxr 1 . 8 . 903 . 1 1 2 ARG HA H 4.209 0.012 -1.025 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HA . . . . . . . . . c30449_6cxr 1 . 8 . 904 . 1 1 2 ARG HB2 H 6.235 1.242 -0.262 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB2 . . . . . . . . . c30449_6cxr 1 . 8 . 905 . 1 1 2 ARG HB3 H 5.189 2.491 0.400 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB3 . . . . . . . . . c30449_6cxr 1 . 8 . 906 . 1 1 2 ARG HD2 H 6.539 -0.287 2.786 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD2 . . . . . . . . . c30449_6cxr 1 . 8 . 907 . 1 1 2 ARG HD3 H 7.286 0.646 1.489 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD3 . . . . . . . . . c30449_6cxr 1 . 8 . 908 . 1 1 2 ARG HE H 7.346 2.408 2.920 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HE . . . . . . . . . c30449_6cxr 1 . 8 . 909 . 1 1 2 ARG HG2 H 4.415 1.131 2.104 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG2 . . . . . . . . . c30449_6cxr 1 . 8 . 910 . 1 1 2 ARG HG3 H 4.854 -0.358 1.247 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG3 . . . . . . . . . c30449_6cxr 1 . 8 . 911 . 1 1 2 ARG HH11 H 4.728 0.320 3.905 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH11 . . . . . . . . . c30449_6cxr 1 . 8 . 912 . 1 1 2 ARG HH12 H 4.313 1.282 5.284 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH12 . . . . . . . . . c30449_6cxr 1 . 8 . 913 . 1 1 2 ARG HH21 H 6.802 3.674 4.733 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH21 . . . . . . . . . c30449_6cxr 1 . 8 . 914 . 1 1 2 ARG HH22 H 5.491 3.186 5.754 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH22 . . . . . . . . . c30449_6cxr 1 . 8 . 915 . 1 1 2 ARG N N 4.451 1.742 -2.122 . . . 1.0 . . . . . . . . . . . . A . 2 ARG N . . . . . . . . . c30449_6cxr 1 . 8 . 916 . 1 1 2 ARG NE N 6.634 1.764 3.117 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NE . . . . . . . . . c30449_6cxr 1 . 8 . 917 . 1 1 2 ARG NH1 N 4.888 1.121 4.481 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH1 . . . . . . . . . c30449_6cxr 1 . 8 . 918 . 1 1 2 ARG NH2 N 6.069 3.030 4.953 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH2 . . . . . . . . . c30449_6cxr 1 . 8 . 919 . 1 1 2 ARG O O 2.643 1.698 0.882 . . . 1.0 . . . . . . . . . . . . A . 2 ARG O . . . . . . . . . c30449_6cxr 1 . 8 . 920 . 1 1 3 PHE C C -0.278 0.657 -0.279 . . . 1.0 . . . . . . . . . . . . A . 3 PHE C . . . . . . . . . c30449_6cxr 1 . 8 . 921 . 1 1 3 PHE CA C 0.473 1.868 -0.826 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CA . . . . . . . . . c30449_6cxr 1 . 8 . 922 . 1 1 3 PHE CB C -0.259 2.450 -2.035 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CB . . . . . . . . . c30449_6cxr 1 . 8 . 923 . 1 1 3 PHE CD1 C -0.965 0.637 -3.630 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD1 . . . . . . . . . c30449_6cxr 1 . 8 . 924 . 1 1 3 PHE CD2 C 0.949 1.949 -4.181 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD2 . . . . . . . . . c30449_6cxr 1 . 8 . 925 . 1 1 3 PHE CE1 C -0.811 -0.084 -4.799 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE1 . . . . . . . . . c30449_6cxr 1 . 8 . 926 . 1 1 3 PHE CE2 C 1.109 1.230 -5.351 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE2 . . . . . . . . . c30449_6cxr 1 . 8 . 927 . 1 1 3 PHE CG C -0.087 1.661 -3.307 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CG . . . . . . . . . c30449_6cxr 1 . 8 . 928 . 1 1 3 PHE CZ C 0.227 0.213 -5.660 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CZ . . . . . . . . . c30449_6cxr 1 . 8 . 929 . 1 1 3 PHE H H 2.011 1.322 -2.141 . . . 1.0 . . . . . . . . . . . . A . 3 PHE H . . . . . . . . . c30449_6cxr 1 . 8 . 930 . 1 1 3 PHE HA H 0.530 2.622 -0.056 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HA . . . . . . . . . c30449_6cxr 1 . 8 . 931 . 1 1 3 PHE HB2 H -1.310 2.489 -1.817 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB2 . . . . . . . . . c30449_6cxr 1 . 8 . 932 . 1 1 3 PHE HB3 H 0.112 3.451 -2.217 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB3 . . . . . . . . . c30449_6cxr 1 . 8 . 933 . 1 1 3 PHE HD1 H -1.777 0.404 -2.959 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD1 . . . . . . . . . c30449_6cxr 1 . 8 . 934 . 1 1 3 PHE HD2 H 1.639 2.744 -3.941 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD2 . . . . . . . . . c30449_6cxr 1 . 8 . 935 . 1 1 3 PHE HE1 H -1.501 -0.879 -5.038 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE1 . . . . . . . . . c30449_6cxr 1 . 8 . 936 . 1 1 3 PHE HE2 H 1.921 1.464 -6.023 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE2 . . . . . . . . . c30449_6cxr 1 . 8 . 937 . 1 1 3 PHE HZ H 0.350 -0.350 -6.574 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HZ . . . . . . . . . c30449_6cxr 1 . 8 . 938 . 1 1 3 PHE N N 1.825 1.515 -1.205 . . . 1.0 . . . . . . . . . . . . A . 3 PHE N . . . . . . . . . c30449_6cxr 1 . 8 . 939 . 1 1 3 PHE O O -0.909 -0.088 -1.026 . . . 1.0 . . . . . . . . . . . . A . 3 PHE O . . . . . . . . . c30449_6cxr 1 . 8 . 940 . 1 1 4 LEU C C -2.369 -0.469 1.714 . . . 1.0 . . . . . . . . . . . . A . 4 LEU C . . . . . . . . . c30449_6cxr 1 . 8 . 941 . 1 1 4 LEU CA C -0.866 -0.653 1.684 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CA . . . . . . . . . c30449_6cxr 1 . 8 . 942 . 1 1 4 LEU CB C -0.372 -0.816 3.117 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CB . . . . . . . . . c30449_6cxr 1 . 8 . 943 . 1 1 4 LEU CD1 C 1.796 0.372 3.493 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD1 . . . . . . . . . c30449_6cxr 1 . 8 . 944 . 1 1 4 LEU CD2 C 1.475 -1.948 4.379 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD2 . . . . . . . . . c30449_6cxr 1 . 8 . 945 . 1 1 4 LEU CG C 1.139 -0.977 3.256 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CG . . . . . . . . . c30449_6cxr 1 . 8 . 946 . 1 1 4 LEU H H 0.322 1.086 1.577 . . . 1.0 . . . . . . . . . . . . A . 4 LEU H . . . . . . . . . c30449_6cxr 1 . 8 . 947 . 1 1 4 LEU HA H -0.628 -1.543 1.133 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HA . . . . . . . . . c30449_6cxr 1 . 8 . 948 . 1 1 4 LEU HB2 H -0.681 0.054 3.681 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB2 . . . . . . . . . c30449_6cxr 1 . 8 . 949 . 1 1 4 LEU HB3 H -0.853 -1.685 3.544 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB3 . . . . . . . . . c30449_6cxr 1 . 8 . 950 . 1 1 4 LEU HD11 H 1.061 1.153 3.372 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD11 . . . . . . . . . c30449_6cxr 1 . 8 . 951 . 1 1 4 LEU HD12 H 2.591 0.512 2.777 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD12 . . . . . . . . . c30449_6cxr 1 . 8 . 952 . 1 1 4 LEU HD13 H 2.199 0.407 4.493 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD13 . . . . . . . . . c30449_6cxr 1 . 8 . 953 . 1 1 4 LEU HD21 H 0.952 -1.654 5.277 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD21 . . . . . . . . . c30449_6cxr 1 . 8 . 954 . 1 1 4 LEU HD22 H 2.540 -1.933 4.561 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD22 . . . . . . . . . c30449_6cxr 1 . 8 . 955 . 1 1 4 LEU HD23 H 1.172 -2.945 4.096 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD23 . . . . . . . . . c30449_6cxr 1 . 8 . 956 . 1 1 4 LEU HG H 1.533 -1.377 2.334 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HG . . . . . . . . . c30449_6cxr 1 . 8 . 957 . 1 1 4 LEU N N -0.200 0.465 1.034 . . . 1.0 . . . . . . . . . . . . A . 4 LEU N . . . . . . . . . c30449_6cxr 1 . 8 . 958 . 1 1 4 LEU O O -2.877 0.398 2.426 . . . 1.0 . . . . . . . . . . . . A . 4 LEU O . . . . . . . . . c30449_6cxr 1 . 8 . 959 . 1 1 5 ARG C C -5.009 -1.597 2.386 . . . 1.0 . . . . . . . . . . . . A . 5 ARG C . . . . . . . . . c30449_6cxr 1 . 8 . 960 . 1 1 5 ARG CA C -4.530 -1.230 0.994 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CA . . . . . . . . . c30449_6cxr 1 . 8 . 961 . 1 1 5 ARG CB C -5.104 -2.165 -0.050 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CB . . . . . . . . . c30449_6cxr 1 . 8 . 962 . 1 1 5 ARG CD C -4.039 -1.299 -2.130 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CD . . . . . . . . . c30449_6cxr 1 . 8 . 963 . 1 1 5 ARG CG C -5.337 -1.470 -1.360 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CG . . . . . . . . . c30449_6cxr 1 . 8 . 964 . 1 1 5 ARG CZ C -4.618 -0.212 -4.266 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CZ . . . . . . . . . c30449_6cxr 1 . 8 . 965 . 1 1 5 ARG H H -2.651 -2.002 0.456 . . . 1.0 . . . . . . . . . . . . A . 5 ARG H . . . . . . . . . c30449_6cxr 1 . 8 . 966 . 1 1 5 ARG HA H -4.823 -0.220 0.759 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HA . . . . . . . . . c30449_6cxr 1 . 8 . 967 . 1 1 5 ARG HB2 H -4.412 -2.968 -0.218 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HB2 . . . . . . . . . c30449_6cxr 1 . 8 . 968 . 1 1 5 ARG HB3 H -6.040 -2.560 0.303 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HB3 . . . . . . . . . c30449_6cxr 1 . 8 . 969 . 1 1 5 ARG HD2 H -3.234 -1.144 -1.422 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HD2 . . . . . . . . . c30449_6cxr 1 . 8 . 970 . 1 1 5 ARG HD3 H -3.850 -2.198 -2.698 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HD3 . . . . . . . . . c30449_6cxr 1 . 8 . 971 . 1 1 5 ARG HE H -3.719 0.688 -2.728 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HE . . . . . . . . . c30449_6cxr 1 . 8 . 972 . 1 1 5 ARG HG2 H -6.027 -2.043 -1.942 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HG2 . . . . . . . . . c30449_6cxr 1 . 8 . 973 . 1 1 5 ARG HG3 H -5.751 -0.504 -1.159 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HG3 . . . . . . . . . c30449_6cxr 1 . 8 . 974 . 1 1 5 ARG HH11 H -5.144 -2.162 -4.155 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH11 . . . . . . . . . c30449_6cxr 1 . 8 . 975 . 1 1 5 ARG HH12 H -5.533 -1.372 -5.646 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH12 . . . . . . . . . c30449_6cxr 1 . 8 . 976 . 1 1 5 ARG HH21 H -4.233 1.727 -4.687 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH21 . . . . . . . . . c30449_6cxr 1 . 8 . 977 . 1 1 5 ARG HH22 H -5.016 0.835 -5.948 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH22 . . . . . . . . . c30449_6cxr 1 . 8 . 978 . 1 1 5 ARG N N -3.091 -1.306 0.982 . . . 1.0 . . . . . . . . . . . . A . 5 ARG N . . . . . . . . . c30449_6cxr 1 . 8 . 979 . 1 1 5 ARG NE N -4.093 -0.160 -3.043 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NE . . . . . . . . . c30449_6cxr 1 . 8 . 980 . 1 1 5 ARG NH1 N -5.141 -1.342 -4.726 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NH1 . . . . . . . . . c30449_6cxr 1 . 8 . 981 . 1 1 5 ARG NH2 N -4.623 0.872 -5.030 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NH2 . . . . . . . . . c30449_6cxr 1 . 8 . 982 . 1 1 5 ARG O O -5.162 -2.773 2.715 . . . 1.0 . . . . . . . . . . . . A . 5 ARG O . . . . . . . . . c30449_6cxr 1 . 8 . 983 . 1 1 6 HIS C C -5.843 0.545 5.288 . . . 1.0 . . . . . . . . . . . . A . 6 HIS C . . . . . . . . . c30449_6cxr 1 . 8 . 984 . 1 1 6 HIS CA C -5.597 -0.791 4.594 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CA . . . . . . . . . c30449_6cxr 1 . 8 . 985 . 1 1 6 HIS CB C -4.497 -1.587 5.314 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CB . . . . . . . . . c30449_6cxr 1 . 8 . 986 . 1 1 6 HIS CD2 C -5.240 -0.959 7.730 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CD2 . . . . . . . . . c30449_6cxr 1 . 8 . 987 . 1 1 6 HIS CE1 C -4.724 -2.847 8.716 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CE1 . . . . . . . . . c30449_6cxr 1 . 8 . 988 . 1 1 6 HIS CG C -4.729 -1.785 6.784 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CG . . . . . . . . . c30449_6cxr 1 . 8 . 989 . 1 1 6 HIS H H -5.019 0.332 2.902 . . . 1.0 . . . . . . . . . . . . A . 6 HIS H . . . . . . . . . c30449_6cxr 1 . 8 . 990 . 1 1 6 HIS HA H -6.511 -1.364 4.598 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HA . . . . . . . . . c30449_6cxr 1 . 8 . 991 . 1 1 6 HIS HB2 H -4.433 -2.570 4.863 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HB2 . . . . . . . . . c30449_6cxr 1 . 8 . 992 . 1 1 6 HIS HB3 H -3.542 -1.075 5.185 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HB3 . . . . . . . . . c30449_6cxr 1 . 8 . 993 . 1 1 6 HIS HD1 H -4.025 -3.757 7.023 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HD1 . . . . . . . . . c30449_6cxr 1 . 8 . 994 . 1 1 6 HIS HD2 H -5.595 0.049 7.577 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HD2 . . . . . . . . . c30449_6cxr 1 . 8 . 995 . 1 1 6 HIS HE1 H -4.588 -3.610 9.468 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HE1 . . . . . . . . . c30449_6cxr 1 . 8 . 996 . 1 1 6 HIS HE2 H -5.446 -1.265 9.797 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HE2 . . . . . . . . . c30449_6cxr 1 . 8 . 997 . 1 1 6 HIS N N -5.194 -0.580 3.215 . . . 1.0 . . . . . . . . . . . . A . 6 HIS N . . . . . . . . . c30449_6cxr 1 . 8 . 998 . 1 1 6 HIS ND1 N -4.415 -2.959 7.437 . . . 1.0 . . . . . . . . . . . . A . 6 HIS ND1 . . . . . . . . . c30449_6cxr 1 . 8 . 999 . 1 1 6 HIS NE2 N -5.225 -1.644 8.920 . . . 1.0 . . . . . . . . . . . . A . 6 HIS NE2 . . . . . . . . . c30449_6cxr 1 . 8 . 1000 . 1 1 6 HIS O O -4.929 1.396 5.271 . . . 1.0 . . . . . . . . . . . . A . 6 HIS O . . . . . . . . . c30449_6cxr 1 . 9 . 1001 . 1 1 1 HIS C C 4.770 2.241 -2.575 . . . 1.0 . . . . . . . . . . . . A . 1 HIS C . . . . . . . . . c30449_6cxr 1 . 9 . 1002 . 1 1 1 HIS CA C 5.139 2.770 -3.958 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CA . . . . . . . . . c30449_6cxr 1 . 9 . 1003 . 1 1 1 HIS CB C 4.191 2.200 -5.016 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CB . . . . . . . . . c30449_6cxr 1 . 9 . 1004 . 1 1 1 HIS CD2 C 2.692 3.288 -6.833 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CD2 . . . . . . . . . c30449_6cxr 1 . 9 . 1005 . 1 1 1 HIS CE1 C 2.052 5.055 -5.706 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CE1 . . . . . . . . . c30449_6cxr 1 . 9 . 1006 . 1 1 1 HIS CG C 3.273 3.223 -5.611 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CG . . . . . . . . . c30449_6cxr 1 . 9 . 1007 . 1 1 1 HIS H1 H 6.783 2.914 -5.188 . . . 1.0 . . . . . . . . . . . . A . 1 HIS H1 . . . . . . . . . c30449_6cxr 1 . 9 . 1008 . 1 1 1 HIS H2 H 6.551 1.368 -4.479 . . . 1.0 . . . . . . . . . . . . A . 1 HIS H2 . . . . . . . . . c30449_6cxr 1 . 9 . 1009 . 1 1 1 HIS H3 H 7.149 2.668 -3.531 . . . 1.0 . . . . . . . . . . . . A . 1 HIS H3 . . . . . . . . . c30449_6cxr 1 . 9 . 1010 . 1 1 1 HIS HA H 5.062 3.847 -3.955 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HA . . . . . . . . . c30449_6cxr 1 . 9 . 1011 . 1 1 1 HIS HB2 H 4.773 1.773 -5.818 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HB2 . . . . . . . . . c30449_6cxr 1 . 9 . 1012 . 1 1 1 HIS HB3 H 3.583 1.427 -4.569 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HB3 . . . . . . . . . c30449_6cxr 1 . 9 . 1013 . 1 1 1 HIS HD1 H 3.102 4.586 -4.013 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HD1 . . . . . . . . . c30449_6cxr 1 . 9 . 1014 . 1 1 1 HIS HD2 H 2.802 2.569 -7.634 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HD2 . . . . . . . . . c30449_6cxr 1 . 9 . 1015 . 1 1 1 HIS HE1 H 1.573 5.985 -5.437 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HE1 . . . . . . . . . c30449_6cxr 1 . 9 . 1016 . 1 1 1 HIS HE2 H 1.331 4.696 -7.588 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HE2 . . . . . . . . . c30449_6cxr 1 . 9 . 1017 . 1 1 1 HIS N N 6.531 2.396 -4.322 . . . 1.0 . . . . . . . . . . . . A . 1 HIS N . . . . . . . . . c30449_6cxr 1 . 9 . 1018 . 1 1 1 HIS ND1 N 2.852 4.345 -4.930 . . . 1.0 . . . . . . . . . . . . A . 1 HIS ND1 . . . . . . . . . c30449_6cxr 1 . 9 . 1019 . 1 1 1 HIS NE2 N 1.940 4.436 -6.866 . . . 1.0 . . . . . . . . . . . . A . 1 HIS NE2 . . . . . . . . . c30449_6cxr 1 . 9 . 1020 . 1 1 1 HIS O O 4.665 3.005 -1.616 . . . 1.0 . . . . . . . . . . . . A . 1 HIS O . . . . . . . . . c30449_6cxr 1 . 9 . 1021 . 1 1 2 ARG C C 2.899 0.853 -0.682 . . . 1.0 . . . . . . . . . . . . A . 2 ARG C . . . . . . . . . c30449_6cxr 1 . 9 . 1022 . 1 1 2 ARG CA C 4.217 0.298 -1.216 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CA . . . . . . . . . c30449_6cxr 1 . 9 . 1023 . 1 1 2 ARG CB C 5.329 0.507 -0.186 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CB . . . . . . . . . c30449_6cxr 1 . 9 . 1024 . 1 1 2 ARG CD C 6.339 -0.495 1.885 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CD . . . . . . . . . c30449_6cxr 1 . 9 . 1025 . 1 1 2 ARG CG C 5.051 -0.161 1.150 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CG . . . . . . . . . c30449_6cxr 1 . 9 . 1026 . 1 1 2 ARG CZ C 7.875 -2.406 2.131 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CZ . . . . . . . . . c30449_6cxr 1 . 9 . 1027 . 1 1 2 ARG H H 4.673 0.373 -3.282 . . . 1.0 . . . . . . . . . . . . A . 2 ARG H . . . . . . . . . c30449_6cxr 1 . 9 . 1028 . 1 1 2 ARG HA H 4.101 -0.759 -1.394 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HA . . . . . . . . . c30449_6cxr 1 . 9 . 1029 . 1 1 2 ARG HB2 H 6.251 0.105 -0.581 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB2 . . . . . . . . . c30449_6cxr 1 . 9 . 1030 . 1 1 2 ARG HB3 H 5.453 1.566 -0.016 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB3 . . . . . . . . . c30449_6cxr 1 . 9 . 1031 . 1 1 2 ARG HD2 H 7.130 0.134 1.504 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD2 . . . . . . . . . c30449_6cxr 1 . 9 . 1032 . 1 1 2 ARG HD3 H 6.199 -0.298 2.938 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD3 . . . . . . . . . c30449_6cxr 1 . 9 . 1033 . 1 1 2 ARG HE H 6.082 -2.484 1.258 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HE . . . . . . . . . c30449_6cxr 1 . 9 . 1034 . 1 1 2 ARG HG2 H 4.463 0.511 1.761 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG2 . . . . . . . . . c30449_6cxr 1 . 9 . 1035 . 1 1 2 ARG HG3 H 4.498 -1.076 0.975 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG3 . . . . . . . . . c30449_6cxr 1 . 9 . 1036 . 1 1 2 ARG HH11 H 8.568 -0.671 2.905 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH11 . . . . . . . . . c30449_6cxr 1 . 9 . 1037 . 1 1 2 ARG HH12 H 9.629 -2.030 3.063 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH12 . . . . . . . . . c30449_6cxr 1 . 9 . 1038 . 1 1 2 ARG HH21 H 7.476 -4.273 1.466 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH21 . . . . . . . . . c30449_6cxr 1 . 9 . 1039 . 1 1 2 ARG HH22 H 9.010 -4.075 2.246 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH22 . . . . . . . . . c30449_6cxr 1 . 9 . 1040 . 1 1 2 ARG N N 4.574 0.929 -2.481 . . . 1.0 . . . . . . . . . . . . A . 2 ARG N . . . . . . . . . c30449_6cxr 1 . 9 . 1041 . 1 1 2 ARG NE N 6.720 -1.895 1.711 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NE . . . . . . . . . c30449_6cxr 1 . 9 . 1042 . 1 1 2 ARG NH1 N 8.763 -1.639 2.751 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH1 . . . . . . . . . c30449_6cxr 1 . 9 . 1043 . 1 1 2 ARG NH2 N 8.142 -3.690 1.932 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH2 . . . . . . . . . c30449_6cxr 1 . 9 . 1044 . 1 1 2 ARG O O 2.810 1.269 0.473 . . . 1.0 . . . . . . . . . . . . A . 2 ARG O . . . . . . . . . c30449_6cxr 1 . 9 . 1045 . 1 1 3 PHE C C -0.230 0.299 -0.408 . . . 1.0 . . . . . . . . . . . . A . 3 PHE C . . . . . . . . . c30449_6cxr 1 . 9 . 1046 . 1 1 3 PHE CA C 0.574 1.362 -1.154 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CA . . . . . . . . . c30449_6cxr 1 . 9 . 1047 . 1 1 3 PHE CB C -0.176 1.821 -2.404 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CB . . . . . . . . . c30449_6cxr 1 . 9 . 1048 . 1 1 3 PHE CD1 C 0.901 0.995 -4.518 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD1 . . . . . . . . . c30449_6cxr 1 . 9 . 1049 . 1 1 3 PHE CD2 C -1.020 -0.160 -3.706 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD2 . . . . . . . . . c30449_6cxr 1 . 9 . 1050 . 1 1 3 PHE CE1 C 0.977 0.124 -5.588 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE1 . . . . . . . . . c30449_6cxr 1 . 9 . 1051 . 1 1 3 PHE CE2 C -0.949 -1.034 -4.773 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE2 . . . . . . . . . c30449_6cxr 1 . 9 . 1052 . 1 1 3 PHE CG C -0.097 0.864 -3.564 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CG . . . . . . . . . c30449_6cxr 1 . 9 . 1053 . 1 1 3 PHE CZ C 0.051 -0.893 -5.715 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CZ . . . . . . . . . c30449_6cxr 1 . 9 . 1054 . 1 1 3 PHE H H 2.003 0.525 -2.438 . . . 1.0 . . . . . . . . . . . . A . 3 PHE H . . . . . . . . . c30449_6cxr 1 . 9 . 1055 . 1 1 3 PHE HA H 0.721 2.210 -0.502 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HA . . . . . . . . . c30449_6cxr 1 . 9 . 1056 . 1 1 3 PHE HB2 H -1.214 1.948 -2.158 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB2 . . . . . . . . . c30449_6cxr 1 . 9 . 1057 . 1 1 3 PHE HB3 H 0.241 2.766 -2.728 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB3 . . . . . . . . . c30449_6cxr 1 . 9 . 1058 . 1 1 3 PHE HD1 H 1.627 1.789 -4.419 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD1 . . . . . . . . . c30449_6cxr 1 . 9 . 1059 . 1 1 3 PHE HD2 H -1.803 -0.271 -2.972 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD2 . . . . . . . . . c30449_6cxr 1 . 9 . 1060 . 1 1 3 PHE HE1 H 1.759 0.238 -6.324 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE1 . . . . . . . . . c30449_6cxr 1 . 9 . 1061 . 1 1 3 PHE HE2 H -1.675 -1.829 -4.870 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE2 . . . . . . . . . c30449_6cxr 1 . 9 . 1062 . 1 1 3 PHE HZ H 0.108 -1.575 -6.550 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HZ . . . . . . . . . c30449_6cxr 1 . 9 . 1063 . 1 1 3 PHE N N 1.877 0.859 -1.532 . . . 1.0 . . . . . . . . . . . . A . 3 PHE N . . . . . . . . . c30449_6cxr 1 . 9 . 1064 . 1 1 3 PHE O O -0.948 -0.494 -1.014 . . . 1.0 . . . . . . . . . . . . A . 3 PHE O . . . . . . . . . c30449_6cxr 1 . 9 . 1065 . 1 1 4 LEU C C -2.304 -0.458 1.716 . . . 1.0 . . . . . . . . . . . . A . 4 LEU C . . . . . . . . . c30449_6cxr 1 . 9 . 1066 . 1 1 4 LEU CA C -0.804 -0.674 1.748 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CA . . . . . . . . . c30449_6cxr 1 . 9 . 1067 . 1 1 4 LEU CB C -0.334 -0.571 3.192 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CB . . . . . . . . . c30449_6cxr 1 . 9 . 1068 . 1 1 4 LEU CD1 C 1.956 0.386 3.482 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD1 . . . . . . . . . c30449_6cxr 1 . 9 . 1069 . 1 1 4 LEU CD2 C 1.341 -1.740 4.653 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD2 . . . . . . . . . c30449_6cxr 1 . 9 . 1070 . 1 1 4 LEU CG C 1.143 -0.893 3.403 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CG . . . . . . . . . c30449_6cxr 1 . 9 . 1071 . 1 1 4 LEU H H 0.495 0.938 1.341 . . . 1.0 . . . . . . . . . . . . A . 4 LEU H . . . . . . . . . c30449_6cxr 1 . 9 . 1072 . 1 1 4 LEU HA H -0.579 -1.659 1.381 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HA . . . . . . . . . c30449_6cxr 1 . 9 . 1073 . 1 1 4 LEU HB2 H -0.520 0.437 3.535 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB2 . . . . . . . . . c30449_6cxr 1 . 9 . 1074 . 1 1 4 LEU HB3 H -0.927 -1.250 3.792 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB3 . . . . . . . . . c30449_6cxr 1 . 9 . 1075 . 1 1 4 LEU HD11 H 1.382 1.200 3.066 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD11 . . . . . . . . . c30449_6cxr 1 . 9 . 1076 . 1 1 4 LEU HD12 H 2.869 0.265 2.918 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD12 . . . . . . . . . c30449_6cxr 1 . 9 . 1077 . 1 1 4 LEU HD13 H 2.193 0.600 4.513 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD13 . . . . . . . . . c30449_6cxr 1 . 9 . 1078 . 1 1 4 LEU HD21 H 2.025 -2.547 4.436 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD21 . . . . . . . . . c30449_6cxr 1 . 9 . 1079 . 1 1 4 LEU HD22 H 0.391 -2.149 4.966 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD22 . . . . . . . . . c30449_6cxr 1 . 9 . 1080 . 1 1 4 LEU HD23 H 1.746 -1.126 5.443 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD23 . . . . . . . . . c30449_6cxr 1 . 9 . 1081 . 1 1 4 LEU HG H 1.499 -1.455 2.553 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HG . . . . . . . . . c30449_6cxr 1 . 9 . 1082 . 1 1 4 LEU N N -0.098 0.288 0.914 . . . 1.0 . . . . . . . . . . . . A . 4 LEU N . . . . . . . . . c30449_6cxr 1 . 9 . 1083 . 1 1 4 LEU O O -2.800 0.550 2.220 . . . 1.0 . . . . . . . . . . . . A . 4 LEU O . . . . . . . . . c30449_6cxr 1 . 9 . 1084 . 1 1 5 ARG C C -4.979 -1.458 2.566 . . . 1.0 . . . . . . . . . . . . A . 5 ARG C . . . . . . . . . c30449_6cxr 1 . 9 . 1085 . 1 1 5 ARG CA C -4.472 -1.317 1.143 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CA . . . . . . . . . c30449_6cxr 1 . 9 . 1086 . 1 1 5 ARG CB C -5.053 -2.390 0.246 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CB . . . . . . . . . c30449_6cxr 1 . 9 . 1087 . 1 1 5 ARG CD C -3.998 -1.822 -1.938 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CD . . . . . . . . . c30449_6cxr 1 . 9 . 1088 . 1 1 5 ARG CG C -5.293 -1.888 -1.148 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CG . . . . . . . . . c30449_6cxr 1 . 9 . 1089 . 1 1 5 ARG CZ C -4.572 -1.115 -4.229 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CZ . . . . . . . . . c30449_6cxr 1 . 9 . 1090 . 1 1 5 ARG H H -2.602 -2.218 0.811 . . . 1.0 . . . . . . . . . . . . A . 5 ARG H . . . . . . . . . c30449_6cxr 1 . 9 . 1091 . 1 1 5 ARG HA H -4.739 -0.350 0.753 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HA . . . . . . . . . c30449_6cxr 1 . 9 . 1092 . 1 1 5 ARG HB2 H -4.364 -3.211 0.190 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HB2 . . . . . . . . . c30449_6cxr 1 . 9 . 1093 . 1 1 5 ARG HB3 H -5.989 -2.729 0.657 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HB3 . . . . . . . . . c30449_6cxr 1 . 9 . 1094 . 1 1 5 ARG HD2 H -3.197 -1.539 -1.265 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HD2 . . . . . . . . . c30449_6cxr 1 . 9 . 1095 . 1 1 5 ARG HD3 H -3.791 -2.798 -2.352 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HD3 . . . . . . . . . c30449_6cxr 1 . 9 . 1096 . 1 1 5 ARG HE H -3.729 0.052 -2.847 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HE . . . . . . . . . c30449_6cxr 1 . 9 . 1097 . 1 1 5 ARG HG2 H -5.981 -2.541 -1.642 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HG2 . . . . . . . . . c30449_6cxr 1 . 9 . 1098 . 1 1 5 ARG HG3 H -5.711 -0.905 -1.084 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HG3 . . . . . . . . . c30449_6cxr 1 . 9 . 1099 . 1 1 5 ARG HH11 H -5.050 -3.035 -3.808 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH11 . . . . . . . . . c30449_6cxr 1 . 9 . 1100 . 1 1 5 ARG HH12 H -5.431 -2.511 -5.413 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH12 . . . . . . . . . c30449_6cxr 1 . 9 . 1101 . 1 1 5 ARG HH21 H -4.233 0.740 -4.957 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH21 . . . . . . . . . c30449_6cxr 1 . 9 . 1102 . 1 1 5 ARG HH22 H -4.968 -0.369 -6.065 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH22 . . . . . . . . . c30449_6cxr 1 . 9 . 1103 . 1 1 5 ARG N N -3.034 -1.419 1.169 . . . 1.0 . . . . . . . . . . . . A . 5 ARG N . . . . . . . . . c30449_6cxr 1 . 9 . 1104 . 1 1 5 ARG NE N -4.071 -0.848 -3.024 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NE . . . . . . . . . c30449_6cxr 1 . 9 . 1105 . 1 1 5 ARG NH1 N -5.057 -2.319 -4.505 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NH1 . . . . . . . . . c30449_6cxr 1 . 9 . 1106 . 1 1 5 ARG NH2 N -4.593 -0.171 -5.160 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NH2 . . . . . . . . . c30449_6cxr 1 . 9 . 1107 . 1 1 5 ARG O O -5.159 -2.567 3.068 . . . 1.0 . . . . . . . . . . . . A . 5 ARG O . . . . . . . . . c30449_6cxr 1 . 9 . 1108 . 1 1 6 HIS C C -5.785 1.116 5.102 . . . 1.0 . . . . . . . . . . . . A . 6 HIS C . . . . . . . . . c30449_6cxr 1 . 9 . 1109 . 1 1 6 HIS CA C -5.588 -0.315 4.614 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CA . . . . . . . . . c30449_6cxr 1 . 9 . 1110 . 1 1 6 HIS CB C -4.534 -1.043 5.464 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CB . . . . . . . . . c30449_6cxr 1 . 9 . 1111 . 1 1 6 HIS CD2 C -5.278 -0.033 7.747 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CD2 . . . . . . . . . c30449_6cxr 1 . 9 . 1112 . 1 1 6 HIS CE1 C -4.853 -1.772 9.012 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CE1 . . . . . . . . . c30449_6cxr 1 . 9 . 1113 . 1 1 6 HIS CG C -4.791 -1.010 6.943 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CG . . . . . . . . . c30449_6cxr 1 . 9 . 1114 . 1 1 6 HIS H H -4.962 0.527 2.782 . . . 1.0 . . . . . . . . . . . . A . 6 HIS H . . . . . . . . . c30449_6cxr 1 . 9 . 1115 . 1 1 6 HIS HA H -6.526 -0.844 4.683 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HA . . . . . . . . . c30449_6cxr 1 . 9 . 1116 . 1 1 6 HIS HB2 H -4.509 -2.083 5.164 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HB2 . . . . . . . . . c30449_6cxr 1 . 9 . 1117 . 1 1 6 HIS HB3 H -3.555 -0.596 5.278 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HB3 . . . . . . . . . c30449_6cxr 1 . 9 . 1118 . 1 1 6 HIS HD1 H -4.174 -2.951 7.484 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HD1 . . . . . . . . . c30449_6cxr 1 . 9 . 1119 . 1 1 6 HIS HD2 H -5.589 0.954 7.441 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HD2 . . . . . . . . . c30449_6cxr 1 . 9 . 1120 . 1 1 6 HIS HE1 H -4.757 -2.419 9.871 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HE1 . . . . . . . . . c30449_6cxr 1 . 9 . 1121 . 1 1 6 HIS HE2 H -5.502 -0.014 9.834 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HE2 . . . . . . . . . c30449_6cxr 1 . 9 . 1122 . 1 1 6 HIS N N -5.158 -0.324 3.227 . . . 1.0 . . . . . . . . . . . . A . 6 HIS N . . . . . . . . . c30449_6cxr 1 . 9 . 1123 . 1 1 6 HIS ND1 N -4.535 -2.085 7.769 . . . 1.0 . . . . . . . . . . . . A . 6 HIS ND1 . . . . . . . . . c30449_6cxr 1 . 9 . 1124 . 1 1 6 HIS NE2 N -5.305 -0.533 9.026 . . . 1.0 . . . . . . . . . . . . A . 6 HIS NE2 . . . . . . . . . c30449_6cxr 1 . 9 . 1125 . 1 1 6 HIS O O -4.772 1.827 5.273 . . . 1.0 . . . . . . . . . . . . A . 6 HIS O . . . . . . . . . c30449_6cxr 1 . 10 . 1126 . 1 1 1 HIS C C 5.266 1.078 -3.072 . . . 1.0 . . . . . . . . . . . . A . 1 HIS C . . . . . . . . . c30449_6cxr 1 . 10 . 1127 . 1 1 1 HIS CA C 5.408 1.768 -4.425 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CA . . . . . . . . . c30449_6cxr 1 . 10 . 1128 . 1 1 1 HIS CB C 4.641 0.991 -5.496 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CB . . . . . . . . . c30449_6cxr 1 . 10 . 1129 . 1 1 1 HIS CD2 C 5.260 1.569 -7.948 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CD2 . . . . . . . . . c30449_6cxr 1 . 10 . 1130 . 1 1 1 HIS CE1 C 3.785 3.155 -8.285 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CE1 . . . . . . . . . c30449_6cxr 1 . 10 . 1131 . 1 1 1 HIS CG C 4.547 1.710 -6.806 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CG . . . . . . . . . c30449_6cxr 1 . 10 . 1132 . 1 1 1 HIS H1 H 7.229 0.898 -4.823 . . . 1.0 . . . . . . . . . . . . A . 1 HIS H1 . . . . . . . . . c30449_6cxr 1 . 10 . 1133 . 1 1 1 HIS H2 H 7.321 2.475 -4.152 . . . 1.0 . . . . . . . . . . . . A . 1 HIS H2 . . . . . . . . . c30449_6cxr 1 . 10 . 1134 . 1 1 1 HIS H3 H 6.863 2.263 -5.792 . . . 1.0 . . . . . . . . . . . . A . 1 HIS H3 . . . . . . . . . c30449_6cxr 1 . 10 . 1135 . 1 1 1 HIS HA H 5.006 2.768 -4.355 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HA . . . . . . . . . c30449_6cxr 1 . 10 . 1136 . 1 1 1 HIS HB2 H 5.137 0.048 -5.671 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HB2 . . . . . . . . . c30449_6cxr 1 . 10 . 1137 . 1 1 1 HIS HB3 H 3.637 0.804 -5.145 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HB3 . . . . . . . . . c30449_6cxr 1 . 10 . 1138 . 1 1 1 HIS HD1 H 2.967 3.048 -6.413 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HD1 . . . . . . . . . c30449_6cxr 1 . 10 . 1139 . 1 1 1 HIS HD2 H 6.068 0.871 -8.118 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HD2 . . . . . . . . . c30449_6cxr 1 . 10 . 1140 . 1 1 1 HIS HE1 H 3.206 3.938 -8.752 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HE1 . . . . . . . . . c30449_6cxr 1 . 10 . 1141 . 1 1 1 HIS HE2 H 5.024 2.540 -9.795 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HE2 . . . . . . . . . c30449_6cxr 1 . 10 . 1142 . 1 1 1 HIS N N 6.834 1.859 -4.835 . . . 1.0 . . . . . . . . . . . . A . 1 HIS N . . . . . . . . . c30449_6cxr 1 . 10 . 1143 . 1 1 1 HIS ND1 N 3.631 2.712 -7.050 . . . 1.0 . . . . . . . . . . . . A . 1 HIS ND1 . . . . . . . . . c30449_6cxr 1 . 10 . 1144 . 1 1 1 HIS NE2 N 4.767 2.478 -8.851 . . . 1.0 . . . . . . . . . . . . A . 1 HIS NE2 . . . . . . . . . c30449_6cxr 1 . 10 . 1145 . 1 1 1 HIS O O 5.928 0.075 -2.803 . . . 1.0 . . . . . . . . . . . . A . 1 HIS O . . . . . . . . . c30449_6cxr 1 . 10 . 1146 . 1 1 2 ARG C C 2.799 1.464 -0.368 . . . 1.0 . . . . . . . . . . . . A . 2 ARG C . . . . . . . . . c30449_6cxr 1 . 10 . 1147 . 1 1 2 ARG CA C 4.168 1.055 -0.901 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CA . . . . . . . . . c30449_6cxr 1 . 10 . 1148 . 1 1 2 ARG CB C 5.264 1.505 0.068 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CB . . . . . . . . . c30449_6cxr 1 . 10 . 1149 . 1 1 2 ARG CD C 6.502 0.809 2.139 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CD . . . . . . . . . c30449_6cxr 1 . 10 . 1150 . 1 1 2 ARG CG C 5.150 0.881 1.449 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CG . . . . . . . . . c30449_6cxr 1 . 10 . 1151 . 1 1 2 ARG CZ C 8.597 -0.459 1.864 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CZ . . . . . . . . . c30449_6cxr 1 . 10 . 1152 . 1 1 2 ARG H H 3.899 2.419 -2.498 . . . 1.0 . . . . . . . . . . . . A . 2 ARG H . . . . . . . . . c30449_6cxr 1 . 10 . 1153 . 1 1 2 ARG HA H 4.197 -0.019 -0.991 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HA . . . . . . . . . c30449_6cxr 1 . 10 . 1154 . 1 1 2 ARG HB2 H 6.225 1.237 -0.346 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB2 . . . . . . . . . c30449_6cxr 1 . 10 . 1155 . 1 1 2 ARG HB3 H 5.214 2.578 0.176 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB3 . . . . . . . . . c30449_6cxr 1 . 10 . 1156 . 1 1 2 ARG HD2 H 7.055 1.708 1.914 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD2 . . . . . . . . . c30449_6cxr 1 . 10 . 1157 . 1 1 2 ARG HD3 H 6.344 0.742 3.206 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD3 . . . . . . . . . c30449_6cxr 1 . 10 . 1158 . 1 1 2 ARG HE H 6.797 -1.080 1.264 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HE . . . . . . . . . c30449_6cxr 1 . 10 . 1159 . 1 1 2 ARG HG2 H 4.482 1.483 2.052 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG2 . . . . . . . . . c30449_6cxr 1 . 10 . 1160 . 1 1 2 ARG HG3 H 4.751 -0.122 1.350 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG3 . . . . . . . . . c30449_6cxr 1 . 10 . 1161 . 1 1 2 ARG HH11 H 8.815 1.333 2.776 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH11 . . . . . . . . . c30449_6cxr 1 . 10 . 1162 . 1 1 2 ARG HH12 H 10.274 0.422 2.570 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH12 . . . . . . . . . c30449_6cxr 1 . 10 . 1163 . 1 1 2 ARG HH21 H 8.715 -2.279 0.994 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH21 . . . . . . . . . c30449_6cxr 1 . 10 . 1164 . 1 1 2 ARG HH22 H 10.217 -1.628 1.559 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH22 . . . . . . . . . c30449_6cxr 1 . 10 . 1165 . 1 1 2 ARG N N 4.398 1.620 -2.225 . . . 1.0 . . . . . . . . . . . . A . 2 ARG N . . . . . . . . . c30449_6cxr 1 . 10 . 1166 . 1 1 2 ARG NE N 7.281 -0.348 1.702 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NE . . . . . . . . . c30449_6cxr 1 . 10 . 1167 . 1 1 2 ARG NH1 N 9.285 0.512 2.452 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH1 . . . . . . . . . c30449_6cxr 1 . 10 . 1168 . 1 1 2 ARG NH2 N 9.228 -1.545 1.437 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH2 . . . . . . . . . c30449_6cxr 1 . 10 . 1169 . 1 1 2 ARG O O 2.640 1.744 0.820 . . . 1.0 . . . . . . . . . . . . A . 2 ARG O . . . . . . . . . c30449_6cxr 1 . 10 . 1170 . 1 1 3 PHE C C -0.290 0.682 -0.299 . . . 1.0 . . . . . . . . . . . . A . 3 PHE C . . . . . . . . . c30449_6cxr 1 . 10 . 1171 . 1 1 3 PHE CA C 0.465 1.871 -0.888 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CA . . . . . . . . . c30449_6cxr 1 . 10 . 1172 . 1 1 3 PHE CB C -0.267 2.415 -2.114 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CB . . . . . . . . . c30449_6cxr 1 . 10 . 1173 . 1 1 3 PHE CD1 C 0.940 1.841 -4.243 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD1 . . . . . . . . . c30449_6cxr 1 . 10 . 1174 . 1 1 3 PHE CD2 C -0.979 0.556 -3.650 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD2 . . . . . . . . . c30449_6cxr 1 . 10 . 1175 . 1 1 3 PHE CE1 C 1.095 1.086 -5.390 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE1 . . . . . . . . . c30449_6cxr 1 . 10 . 1176 . 1 1 3 PHE CE2 C -0.829 -0.203 -4.795 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE2 . . . . . . . . . c30449_6cxr 1 . 10 . 1177 . 1 1 3 PHE CG C -0.098 1.585 -3.359 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CG . . . . . . . . . c30449_6cxr 1 . 10 . 1178 . 1 1 3 PHE CZ C 0.210 0.062 -5.666 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CZ . . . . . . . . . c30449_6cxr 1 . 10 . 1179 . 1 1 3 PHE H H 1.996 1.271 -2.185 . . . 1.0 . . . . . . . . . . . . A . 3 PHE H . . . . . . . . . c30449_6cxr 1 . 10 . 1180 . 1 1 3 PHE HA H 0.527 2.650 -0.142 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HA . . . . . . . . . c30449_6cxr 1 . 10 . 1181 . 1 1 3 PHE HB2 H -1.318 2.464 -1.896 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB2 . . . . . . . . . c30449_6cxr 1 . 10 . 1182 . 1 1 3 PHE HB3 H 0.107 3.409 -2.327 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB3 . . . . . . . . . c30449_6cxr 1 . 10 . 1183 . 1 1 3 PHE HD1 H 1.634 2.640 -4.028 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD1 . . . . . . . . . c30449_6cxr 1 . 10 . 1184 . 1 1 3 PHE HD2 H -1.792 0.348 -2.971 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD2 . . . . . . . . . c30449_6cxr 1 . 10 . 1185 . 1 1 3 PHE HE1 H 1.907 1.296 -6.070 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE1 . . . . . . . . . c30449_6cxr 1 . 10 . 1186 . 1 1 3 PHE HE2 H -1.522 -1.003 -5.008 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE2 . . . . . . . . . c30449_6cxr 1 . 10 . 1187 . 1 1 3 PHE HZ H 0.329 -0.530 -6.561 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HZ . . . . . . . . . c30449_6cxr 1 . 10 . 1188 . 1 1 3 PHE N N 1.813 1.498 -1.257 . . . 1.0 . . . . . . . . . . . . A . 3 PHE N . . . . . . . . . c30449_6cxr 1 . 10 . 1189 . 1 1 3 PHE O O -0.925 -0.086 -1.019 . . . 1.0 . . . . . . . . . . . . A . 3 PHE O . . . . . . . . . c30449_6cxr 1 . 10 . 1190 . 1 1 4 LEU C C -2.373 -0.393 1.734 . . . 1.0 . . . . . . . . . . . . A . 4 LEU C . . . . . . . . . c30449_6cxr 1 . 10 . 1191 . 1 1 4 LEU CA C -0.866 -0.561 1.712 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CA . . . . . . . . . c30449_6cxr 1 . 10 . 1192 . 1 1 4 LEU CB C -0.371 -0.652 3.148 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CB . . . . . . . . . c30449_6cxr 1 . 10 . 1193 . 1 1 4 LEU CD1 C 1.898 0.288 3.604 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD1 . . . . . . . . . c30449_6cxr 1 . 10 . 1194 . 1 1 4 LEU CD2 C 1.347 -2.040 4.338 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD2 . . . . . . . . . c30449_6cxr 1 . 10 . 1195 . 1 1 4 LEU CG C 1.115 -0.970 3.282 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CG . . . . . . . . . c30449_6cxr 1 . 10 . 1196 . 1 1 4 LEU H H 0.326 1.168 1.538 . . . 1.0 . . . . . . . . . . . . A . 4 LEU H . . . . . . . . . c30449_6cxr 1 . 10 . 1197 . 1 1 4 LEU HA H -0.616 -1.473 1.203 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HA . . . . . . . . . c30449_6cxr 1 . 10 . 1198 . 1 1 4 LEU HB2 H -0.568 0.293 3.634 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB2 . . . . . . . . . c30449_6cxr 1 . 10 . 1199 . 1 1 4 LEU HB3 H -0.939 -1.422 3.656 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB3 . . . . . . . . . c30449_6cxr 1 . 10 . 1200 . 1 1 4 LEU HD11 H 1.508 0.733 4.507 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD11 . . . . . . . . . c30449_6cxr 1 . 10 . 1201 . 1 1 4 LEU HD12 H 1.800 0.986 2.786 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD12 . . . . . . . . . c30449_6cxr 1 . 10 . 1202 . 1 1 4 LEU HD13 H 2.939 0.039 3.743 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD13 . . . . . . . . . c30449_6cxr 1 . 10 . 1203 . 1 1 4 LEU HD21 H 1.220 -1.609 5.321 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD21 . . . . . . . . . c30449_6cxr 1 . 10 . 1204 . 1 1 4 LEU HD22 H 2.350 -2.428 4.243 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD22 . . . . . . . . . c30449_6cxr 1 . 10 . 1205 . 1 1 4 LEU HD23 H 0.636 -2.841 4.202 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD23 . . . . . . . . . c30449_6cxr 1 . 10 . 1206 . 1 1 4 LEU HG H 1.474 -1.345 2.335 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HG . . . . . . . . . c30449_6cxr 1 . 10 . 1207 . 1 1 4 LEU N N -0.205 0.533 1.019 . . . 1.0 . . . . . . . . . . . . A . 4 LEU N . . . . . . . . . c30449_6cxr 1 . 10 . 1208 . 1 1 4 LEU O O -2.894 0.482 2.424 . . . 1.0 . . . . . . . . . . . . A . 4 LEU O . . . . . . . . . c30449_6cxr 1 . 10 . 1209 . 1 1 5 ARG C C -5.001 -1.600 2.407 . . . 1.0 . . . . . . . . . . . . A . 5 ARG C . . . . . . . . . c30449_6cxr 1 . 10 . 1210 . 1 1 5 ARG CA C -4.520 -1.203 1.024 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CA . . . . . . . . . c30449_6cxr 1 . 10 . 1211 . 1 1 5 ARG CB C -5.076 -2.130 -0.036 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CB . . . . . . . . . c30449_6cxr 1 . 10 . 1212 . 1 1 5 ARG CD C -4.030 -1.202 -2.098 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CD . . . . . . . . . c30449_6cxr 1 . 10 . 1213 . 1 1 5 ARG CG C -5.325 -1.416 -1.333 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CG . . . . . . . . . c30449_6cxr 1 . 10 . 1214 . 1 1 5 ARG CZ C -4.650 -0.003 -4.160 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CZ . . . . . . . . . c30449_6cxr 1 . 10 . 1215 . 1 1 5 ARG H H -2.628 -1.959 0.511 . . . 1.0 . . . . . . . . . . . . A . 5 ARG H . . . . . . . . . c30449_6cxr 1 . 10 . 1216 . 1 1 5 ARG HA H -4.826 -0.194 0.804 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HA . . . . . . . . . c30449_6cxr 1 . 10 . 1217 . 1 1 5 ARG HB2 H -4.369 -2.916 -0.220 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HB2 . . . . . . . . . c30449_6cxr 1 . 10 . 1218 . 1 1 5 ARG HB3 H -6.005 -2.550 0.310 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HB3 . . . . . . . . . c30449_6cxr 1 . 10 . 1219 . 1 1 5 ARG HD2 H -3.224 -1.079 -1.384 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HD2 . . . . . . . . . c30449_6cxr 1 . 10 . 1220 . 1 1 5 ARG HD3 H -3.839 -2.071 -2.710 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HD3 . . . . . . . . . c30449_6cxr 1 . 10 . 1221 . 1 1 5 ARG HE H -3.695 0.808 -2.607 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HE . . . . . . . . . c30449_6cxr 1 . 10 . 1222 . 1 1 5 ARG HG2 H -6.000 -1.994 -1.927 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HG2 . . . . . . . . . c30449_6cxr 1 . 10 . 1223 . 1 1 5 ARG HG3 H -5.760 -0.463 -1.114 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HG3 . . . . . . . . . c30449_6cxr 1 . 10 . 1224 . 1 1 5 ARG HH11 H -5.200 -1.950 -4.129 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH11 . . . . . . . . . c30449_6cxr 1 . 10 . 1225 . 1 1 5 ARG HH12 H -5.620 -1.083 -5.568 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH12 . . . . . . . . . c30449_6cxr 1 . 10 . 1226 . 1 1 5 ARG HH21 H -4.247 1.948 -4.498 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH21 . . . . . . . . . c30449_6cxr 1 . 10 . 1227 . 1 1 5 ARG HH22 H -5.079 1.129 -5.778 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH22 . . . . . . . . . c30449_6cxr 1 . 10 . 1228 . 1 1 5 ARG N N -3.080 -1.257 1.019 . . . 1.0 . . . . . . . . . . . . A . 5 ARG N . . . . . . . . . c30449_6cxr 1 . 10 . 1229 . 1 1 5 ARG NE N -4.091 -0.019 -2.952 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NE . . . . . . . . . c30449_6cxr 1 . 10 . 1230 . 1 1 5 ARG NH1 N -5.202 -1.102 -4.660 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NH1 . . . . . . . . . c30449_6cxr 1 . 10 . 1231 . 1 1 5 ARG NH2 N -4.660 1.116 -4.870 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NH2 . . . . . . . . . c30449_6cxr 1 . 10 . 1232 . 1 1 5 ARG O O -5.138 -2.784 2.715 . . . 1.0 . . . . . . . . . . . . A . 5 ARG O . . . . . . . . . c30449_6cxr 1 . 10 . 1233 . 1 1 6 HIS C C -5.863 0.476 5.350 . . . 1.0 . . . . . . . . . . . . A . 6 HIS C . . . . . . . . . c30449_6cxr 1 . 10 . 1234 . 1 1 6 HIS CA C -5.616 -0.843 4.625 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CA . . . . . . . . . c30449_6cxr 1 . 10 . 1235 . 1 1 6 HIS CB C -4.522 -1.657 5.334 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CB . . . . . . . . . c30449_6cxr 1 . 10 . 1236 . 1 1 6 HIS CD2 C -5.296 -1.108 7.759 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CD2 . . . . . . . . . c30449_6cxr 1 . 10 . 1237 . 1 1 6 HIS CE1 C -4.813 -3.034 8.686 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CE1 . . . . . . . . . c30449_6cxr 1 . 10 . 1238 . 1 1 6 HIS CG C -4.777 -1.904 6.793 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CG . . . . . . . . . c30449_6cxr 1 . 10 . 1239 . 1 1 6 HIS H H -5.045 0.319 2.957 . . . 1.0 . . . . . . . . . . . . A . 6 HIS H . . . . . . . . . c30449_6cxr 1 . 10 . 1240 . 1 1 6 HIS HA H -6.531 -1.415 4.611 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HA . . . . . . . . . c30449_6cxr 1 . 10 . 1241 . 1 1 6 HIS HB2 H -4.444 -2.624 4.851 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HB2 . . . . . . . . . c30449_6cxr 1 . 10 . 1242 . 1 1 6 HIS HB3 H -3.568 -1.134 5.238 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HB3 . . . . . . . . . c30449_6cxr 1 . 10 . 1243 . 1 1 6 HIS HD1 H -4.093 -3.890 6.973 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HD1 . . . . . . . . . c30449_6cxr 1 . 10 . 1244 . 1 1 6 HIS HD2 H -5.640 -0.092 7.637 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HD2 . . . . . . . . . c30449_6cxr 1 . 10 . 1245 . 1 1 6 HIS HE1 H -4.696 -3.825 9.413 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HE1 . . . . . . . . . c30449_6cxr 1 . 10 . 1246 . 1 1 6 HIS HE2 H -5.707 -1.546 9.771 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HE2 . . . . . . . . . c30449_6cxr 1 . 10 . 1247 . 1 1 6 HIS N N -5.207 -0.601 3.253 . . . 1.0 . . . . . . . . . . . . A . 6 HIS N . . . . . . . . . c30449_6cxr 1 . 10 . 1248 . 1 1 6 HIS ND1 N -4.484 -3.104 7.409 . . . 1.0 . . . . . . . . . . . . A . 6 HIS ND1 . . . . . . . . . c30449_6cxr 1 . 10 . 1249 . 1 1 6 HIS NE2 N -5.307 -1.834 8.924 . . . 1.0 . . . . . . . . . . . . A . 6 HIS NE2 . . . . . . . . . c30449_6cxr 1 . 10 . 1250 . 1 1 6 HIS O O -4.956 1.335 5.339 . . . 1.0 . . . . . . . . . . . . A . 6 HIS O . . . . . . . . . c30449_6cxr 1 . 11 . 1251 . 1 1 1 HIS C C 4.698 0.913 -3.328 . . . 1.0 . . . . . . . . . . . . A . 1 HIS C . . . . . . . . . c30449_6cxr 1 . 11 . 1252 . 1 1 1 HIS CA C 5.025 1.822 -4.510 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CA . . . . . . . . . c30449_6cxr 1 . 11 . 1253 . 1 1 1 HIS CB C 5.208 0.992 -5.782 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CB . . . . . . . . . c30449_6cxr 1 . 11 . 1254 . 1 1 1 HIS CD2 C 6.350 2.331 -7.688 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CD2 . . . . . . . . . c30449_6cxr 1 . 11 . 1255 . 1 1 1 HIS CE1 C 4.548 2.918 -8.790 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CE1 . . . . . . . . . c30449_6cxr 1 . 11 . 1256 . 1 1 1 HIS CG C 5.284 1.817 -7.029 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CG . . . . . . . . . c30449_6cxr 1 . 11 . 1257 . 1 1 1 HIS H1 H 7.075 1.949 -4.400 . . . 1.0 . . . . . . . . . . . . A . 1 HIS H1 . . . . . . . . . c30449_6cxr 1 . 11 . 1258 . 1 1 1 HIS H2 H 6.235 2.951 -3.289 . . . 1.0 . . . . . . . . . . . . A . 1 HIS H2 . . . . . . . . . c30449_6cxr 1 . 11 . 1259 . 1 1 1 HIS H3 H 6.300 3.376 -4.950 . . . 1.0 . . . . . . . . . . . . A . 1 HIS H3 . . . . . . . . . c30449_6cxr 1 . 11 . 1260 . 1 1 1 HIS HA H 4.212 2.518 -4.654 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HA . . . . . . . . . c30449_6cxr 1 . 11 . 1261 . 1 1 1 HIS HB2 H 6.123 0.424 -5.704 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HB2 . . . . . . . . . c30449_6cxr 1 . 11 . 1262 . 1 1 1 HIS HB3 H 4.375 0.312 -5.882 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HB3 . . . . . . . . . c30449_6cxr 1 . 11 . 1263 . 1 1 1 HIS HD1 H 3.242 1.985 -7.521 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HD1 . . . . . . . . . c30449_6cxr 1 . 11 . 1264 . 1 1 1 HIS HD2 H 7.389 2.226 -7.407 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HD2 . . . . . . . . . c30449_6cxr 1 . 11 . 1265 . 1 1 1 HIS HE1 H 3.891 3.353 -9.529 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HE1 . . . . . . . . . c30449_6cxr 1 . 11 . 1266 . 1 1 1 HIS HE2 H 6.398 3.563 -9.387 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HE2 . . . . . . . . . c30449_6cxr 1 . 11 . 1267 . 1 1 1 HIS N N 6.271 2.594 -4.265 . . . 1.0 . . . . . . . . . . . . A . 1 HIS N . . . . . . . . . c30449_6cxr 1 . 11 . 1268 . 1 1 1 HIS ND1 N 4.171 2.203 -7.745 . . . 1.0 . . . . . . . . . . . . A . 1 HIS ND1 . . . . . . . . . c30449_6cxr 1 . 11 . 1269 . 1 1 1 HIS NE2 N 5.865 3.011 -8.778 . . . 1.0 . . . . . . . . . . . . A . 1 HIS NE2 . . . . . . . . . c30449_6cxr 1 . 11 . 1270 . 1 1 1 HIS O O 4.551 -0.299 -3.485 . . . 1.0 . . . . . . . . . . . . A . 1 HIS O . . . . . . . . . c30449_6cxr 1 . 11 . 1271 . 1 1 2 ARG C C 2.951 1.207 -0.335 . . . 1.0 . . . . . . . . . . . . A . 2 ARG C . . . . . . . . . c30449_6cxr 1 . 11 . 1272 . 1 1 2 ARG CA C 4.277 0.753 -0.936 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CA . . . . . . . . . c30449_6cxr 1 . 11 . 1273 . 1 1 2 ARG CB C 5.399 0.910 0.091 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CB . . . . . . . . . c30449_6cxr 1 . 11 . 1274 . 1 1 2 ARG CD C 6.522 -0.326 1.972 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CD . . . . . . . . . c30449_6cxr 1 . 11 . 1275 . 1 1 2 ARG CG C 5.195 0.069 1.341 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CG . . . . . . . . . c30449_6cxr 1 . 11 . 1276 . 1 1 2 ARG CZ C 7.674 0.015 4.123 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CZ . . . . . . . . . c30449_6cxr 1 . 11 . 1277 . 1 1 2 ARG H H 4.715 2.478 -2.083 . . . 1.0 . . . . . . . . . . . . A . 2 ARG H . . . . . . . . . c30449_6cxr 1 . 11 . 1278 . 1 1 2 ARG HA H 4.195 -0.289 -1.207 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HA . . . . . . . . . c30449_6cxr 1 . 11 . 1279 . 1 1 2 ARG HB2 H 6.334 0.619 -0.365 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB2 . . . . . . . . . c30449_6cxr 1 . 11 . 1280 . 1 1 2 ARG HB3 H 5.459 1.947 0.387 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB3 . . . . . . . . . c30449_6cxr 1 . 11 . 1281 . 1 1 2 ARG HD2 H 6.508 -1.387 2.172 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD2 . . . . . . . . . c30449_6cxr 1 . 11 . 1282 . 1 1 2 ARG HD3 H 7.318 -0.102 1.277 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD3 . . . . . . . . . c30449_6cxr 1 . 11 . 1283 . 1 1 2 ARG HE H 6.229 1.187 3.401 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HE . . . . . . . . . c30449_6cxr 1 . 11 . 1284 . 1 1 2 ARG HG2 H 4.624 0.643 2.058 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG2 . . . . . . . . . c30449_6cxr 1 . 11 . 1285 . 1 1 2 ARG HG3 H 4.651 -0.829 1.073 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG3 . . . . . . . . . c30449_6cxr 1 . 11 . 1286 . 1 1 2 ARG HH11 H 8.305 -1.600 3.081 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH11 . . . . . . . . . c30449_6cxr 1 . 11 . 1287 . 1 1 2 ARG HH12 H 9.100 -1.337 4.596 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH12 . . . . . . . . . c30449_6cxr 1 . 11 . 1288 . 1 1 2 ARG HH21 H 7.274 1.534 5.395 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH21 . . . . . . . . . c30449_6cxr 1 . 11 . 1289 . 1 1 2 ARG HH22 H 8.515 0.441 5.910 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH22 . . . . . . . . . c30449_6cxr 1 . 11 . 1290 . 1 1 2 ARG N N 4.587 1.508 -2.145 . . . 1.0 . . . . . . . . . . . . A . 2 ARG N . . . . . . . . . c30449_6cxr 1 . 11 . 1291 . 1 1 2 ARG NE N 6.768 0.388 3.222 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NE . . . . . . . . . c30449_6cxr 1 . 11 . 1292 . 1 1 2 ARG NH1 N 8.421 -1.063 3.916 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH1 . . . . . . . . . c30449_6cxr 1 . 11 . 1293 . 1 1 2 ARG NH2 N 7.834 0.721 5.234 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH2 . . . . . . . . . c30449_6cxr 1 . 11 . 1294 . 1 1 2 ARG O O 2.844 1.414 0.875 . . . 1.0 . . . . . . . . . . . . A . 2 ARG O . . . . . . . . . c30449_6cxr 1 . 11 . 1295 . 1 1 3 PHE C C -0.179 0.618 -0.213 . . . 1.0 . . . . . . . . . . . . A . 3 PHE C . . . . . . . . . c30449_6cxr 1 . 11 . 1296 . 1 1 3 PHE CA C 0.633 1.795 -0.747 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CA . . . . . . . . . c30449_6cxr 1 . 11 . 1297 . 1 1 3 PHE CB C -0.098 2.469 -1.907 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CB . . . . . . . . . c30449_6cxr 1 . 11 . 1298 . 1 1 3 PHE CD1 C -0.971 0.764 -3.536 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD1 . . . . . . . . . c30449_6cxr 1 . 11 . 1299 . 1 1 3 PHE CD2 C 0.998 1.979 -4.115 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD2 . . . . . . . . . c30449_6cxr 1 . 11 . 1300 . 1 1 3 PHE CE1 C -0.905 0.080 -4.735 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE1 . . . . . . . . . c30449_6cxr 1 . 11 . 1301 . 1 1 3 PHE CE2 C 1.070 1.297 -5.315 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE2 . . . . . . . . . c30449_6cxr 1 . 11 . 1302 . 1 1 3 PHE CG C -0.021 1.720 -3.211 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CG . . . . . . . . . c30449_6cxr 1 . 11 . 1303 . 1 1 3 PHE CZ C 0.117 0.347 -5.625 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CZ . . . . . . . . . c30449_6cxr 1 . 11 . 1304 . 1 1 3 PHE H H 2.083 1.194 -2.134 . . . 1.0 . . . . . . . . . . . . A . 3 PHE H . . . . . . . . . c30449_6cxr 1 . 11 . 1305 . 1 1 3 PHE HA H 0.769 2.514 0.047 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HA . . . . . . . . . c30449_6cxr 1 . 11 . 1306 . 1 1 3 PHE HB2 H -1.136 2.569 -1.650 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB2 . . . . . . . . . c30449_6cxr 1 . 11 . 1307 . 1 1 3 PHE HB3 H 0.333 3.450 -2.065 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB3 . . . . . . . . . c30449_6cxr 1 . 11 . 1308 . 1 1 3 PHE HD1 H -1.770 0.555 -2.842 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD1 . . . . . . . . . c30449_6cxr 1 . 11 . 1309 . 1 1 3 PHE HD2 H 1.744 2.722 -3.873 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD2 . . . . . . . . . c30449_6cxr 1 . 11 . 1310 . 1 1 3 PHE HE1 H -1.651 -0.663 -4.975 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE1 . . . . . . . . . c30449_6cxr 1 . 11 . 1311 . 1 1 3 PHE HE2 H 1.870 1.507 -6.009 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE2 . . . . . . . . . c30449_6cxr 1 . 11 . 1312 . 1 1 3 PHE HZ H 0.171 -0.187 -6.562 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HZ . . . . . . . . . c30449_6cxr 1 . 11 . 1313 . 1 1 3 PHE N N 1.943 1.365 -1.186 . . . 1.0 . . . . . . . . . . . . A . 3 PHE N . . . . . . . . . c30449_6cxr 1 . 11 . 1314 . 1 1 3 PHE O O -0.884 -0.058 -0.959 . . . 1.0 . . . . . . . . . . . . A . 3 PHE O . . . . . . . . . c30449_6cxr 1 . 11 . 1315 . 1 1 4 LEU C C -2.279 -0.499 1.706 . . . 1.0 . . . . . . . . . . . . A . 4 LEU C . . . . . . . . . c30449_6cxr 1 . 11 . 1316 . 1 1 4 LEU CA C -0.779 -0.714 1.734 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CA . . . . . . . . . c30449_6cxr 1 . 11 . 1317 . 1 1 4 LEU CB C -0.336 -0.854 3.187 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CB . . . . . . . . . c30449_6cxr 1 . 11 . 1318 . 1 1 4 LEU CD1 C 1.896 0.213 3.569 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD1 . . . . . . . . . c30449_6cxr 1 . 11 . 1319 . 1 1 4 LEU CD2 C 1.403 -2.039 4.549 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD2 . . . . . . . . . c30449_6cxr 1 . 11 . 1320 . 1 1 4 LEU CG C 1.158 -1.102 3.376 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CG . . . . . . . . . c30449_6cxr 1 . 11 . 1321 . 1 1 4 LEU H H 0.516 0.946 1.629 . . . 1.0 . . . . . . . . . . . . A . 4 LEU H . . . . . . . . . c30449_6cxr 1 . 11 . 1322 . 1 1 4 LEU HA H -0.542 -1.623 1.210 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HA . . . . . . . . . c30449_6cxr 1 . 11 . 1323 . 1 1 4 LEU HB2 H -0.606 0.052 3.711 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB2 . . . . . . . . . c30449_6cxr 1 . 11 . 1324 . 1 1 4 LEU HB3 H -0.881 -1.677 3.630 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB3 . . . . . . . . . c30449_6cxr 1 . 11 . 1325 . 1 1 4 LEU HD11 H 1.201 1.033 3.473 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD11 . . . . . . . . . c30449_6cxr 1 . 11 . 1326 . 1 1 4 LEU HD12 H 2.666 0.304 2.817 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD12 . . . . . . . . . c30449_6cxr 1 . 11 . 1327 . 1 1 4 LEU HD13 H 2.347 0.235 4.550 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD13 . . . . . . . . . c30449_6cxr 1 . 11 . 1328 . 1 1 4 LEU HD21 H 2.441 -2.338 4.561 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD21 . . . . . . . . . c30449_6cxr 1 . 11 . 1329 . 1 1 4 LEU HD22 H 0.778 -2.914 4.448 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD22 . . . . . . . . . c30449_6cxr 1 . 11 . 1330 . 1 1 4 LEU HD23 H 1.164 -1.531 5.472 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD23 . . . . . . . . . c30449_6cxr 1 . 11 . 1331 . 1 1 4 LEU HG H 1.549 -1.569 2.484 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HG . . . . . . . . . c30449_6cxr 1 . 11 . 1332 . 1 1 4 LEU N N -0.067 0.378 1.089 . . . 1.0 . . . . . . . . . . . . A . 4 LEU N . . . . . . . . . c30449_6cxr 1 . 11 . 1333 . 1 1 4 LEU O O -2.790 0.423 2.342 . . . 1.0 . . . . . . . . . . . . A . 4 LEU O . . . . . . . . . c30449_6cxr 1 . 11 . 1334 . 1 1 5 ARG C C -4.959 -1.522 2.366 . . . 1.0 . . . . . . . . . . . . A . 5 ARG C . . . . . . . . . c30449_6cxr 1 . 11 . 1335 . 1 1 5 ARG CA C -4.430 -1.273 0.966 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CA . . . . . . . . . c30449_6cxr 1 . 11 . 1336 . 1 1 5 ARG CB C -4.981 -2.282 -0.018 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CB . . . . . . . . . c30449_6cxr 1 . 11 . 1337 . 1 1 5 ARG CD C -3.758 -1.707 -2.110 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CD . . . . . . . . . c30449_6cxr 1 . 11 . 1338 . 1 1 5 ARG CG C -5.101 -1.714 -1.402 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CG . . . . . . . . . c30449_6cxr 1 . 11 . 1339 . 1 1 5 ARG CZ C -4.069 -1.418 -4.541 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CZ . . . . . . . . . c30449_6cxr 1 . 11 . 1340 . 1 1 5 ARG H H -2.551 -2.109 0.545 . . . 1.0 . . . . . . . . . . . . A . 5 ARG H . . . . . . . . . c30449_6cxr 1 . 11 . 1341 . 1 1 5 ARG HA H -4.698 -0.281 0.641 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HA . . . . . . . . . c30449_6cxr 1 . 11 . 1342 . 1 1 5 ARG HB2 H -4.317 -3.126 -0.062 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HB2 . . . . . . . . . c30449_6cxr 1 . 11 . 1343 . 1 1 5 ARG HB3 H -5.952 -2.603 0.309 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HB3 . . . . . . . . . c30449_6cxr 1 . 11 . 1344 . 1 1 5 ARG HD2 H -3.017 -1.285 -1.441 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HD2 . . . . . . . . . c30449_6cxr 1 . 11 . 1345 . 1 1 5 ARG HD3 H -3.486 -2.723 -2.352 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HD3 . . . . . . . . . c30449_6cxr 1 . 11 . 1346 . 1 1 5 ARG HE H -3.608 0.041 -3.261 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HE . . . . . . . . . c30449_6cxr 1 . 11 . 1347 . 1 1 5 ARG HG2 H -5.799 -2.299 -1.961 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HG2 . . . . . . . . . c30449_6cxr 1 . 11 . 1348 . 1 1 5 ARG HG3 H -5.456 -0.707 -1.321 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HG3 . . . . . . . . . c30449_6cxr 1 . 11 . 1349 . 1 1 5 ARG HH11 H -4.352 -3.314 -3.893 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH11 . . . . . . . . . c30449_6cxr 1 . 11 . 1350 . 1 1 5 ARG HH12 H -4.548 -3.075 -5.595 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH12 . . . . . . . . . c30449_6cxr 1 . 11 . 1351 . 1 1 5 ARG HH21 H -3.871 0.351 -5.499 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH21 . . . . . . . . . c30449_6cxr 1 . 11 . 1352 . 1 1 5 ARG HH22 H -4.277 -0.998 -6.507 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH22 . . . . . . . . . c30449_6cxr 1 . 11 . 1353 . 1 1 5 ARG N N -2.993 -1.372 1.009 . . . 1.0 . . . . . . . . . . . . A . 5 ARG N . . . . . . . . . c30449_6cxr 1 . 11 . 1354 . 1 1 5 ARG NE N -3.796 -0.916 -3.337 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NE . . . . . . . . . c30449_6cxr 1 . 11 . 1355 . 1 1 5 ARG NH1 N -4.346 -2.708 -4.687 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NH1 . . . . . . . . . c30449_6cxr 1 . 11 . 1356 . 1 1 5 ARG NH2 N -4.073 -0.623 -5.603 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NH2 . . . . . . . . . c30449_6cxr 1 . 11 . 1357 . 1 1 5 ARG O O -5.143 -2.666 2.780 . . . 1.0 . . . . . . . . . . . . A . 5 ARG O . . . . . . . . . c30449_6cxr 1 . 11 . 1358 . 1 1 6 HIS C C -5.817 0.851 5.075 . . . 1.0 . . . . . . . . . . . . A . 6 HIS C . . . . . . . . . c30449_6cxr 1 . 11 . 1359 . 1 1 6 HIS CA C -5.602 -0.539 4.485 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CA . . . . . . . . . c30449_6cxr 1 . 11 . 1360 . 1 1 6 HIS CB C -4.551 -1.319 5.292 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CB . . . . . . . . . c30449_6cxr 1 . 11 . 1361 . 1 1 6 HIS CD2 C -5.332 -0.483 7.633 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CD2 . . . . . . . . . c30449_6cxr 1 . 11 . 1362 . 1 1 6 HIS CE1 C -4.897 -2.302 8.776 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CE1 . . . . . . . . . c30449_6cxr 1 . 11 . 1363 . 1 1 6 HIS CG C -4.823 -1.394 6.767 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CG . . . . . . . . . c30449_6cxr 1 . 11 . 1364 . 1 1 6 HIS H H -4.950 0.441 2.731 . . . 1.0 . . . . . . . . . . . . A . 6 HIS H . . . . . . . . . c30449_6cxr 1 . 11 . 1365 . 1 1 6 HIS HA H -6.535 -1.079 4.501 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HA . . . . . . . . . c30449_6cxr 1 . 11 . 1366 . 1 1 6 HIS HB2 H -4.518 -2.336 4.919 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HB2 . . . . . . . . . c30449_6cxr 1 . 11 . 1367 . 1 1 6 HIS HB3 H -3.573 -0.857 5.147 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HB3 . . . . . . . . . c30449_6cxr 1 . 11 . 1368 . 1 1 6 HIS HD1 H -4.185 -3.361 7.177 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HD1 . . . . . . . . . c30449_6cxr 1 . 11 . 1369 . 1 1 6 HIS HD2 H -5.652 0.520 7.394 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HD2 . . . . . . . . . c30449_6cxr 1 . 11 . 1370 . 1 1 6 HIS HE1 H -4.802 -3.007 9.588 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HE1 . . . . . . . . . c30449_6cxr 1 . 11 . 1371 . 1 1 6 HIS HE2 H -5.611 -0.626 9.709 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HE2 . . . . . . . . . c30449_6cxr 1 . 11 . 1372 . 1 1 6 HIS N N -5.152 -0.441 3.108 . . . 1.0 . . . . . . . . . . . . A . 6 HIS N . . . . . . . . . c30449_6cxr 1 . 11 . 1373 . 1 1 6 HIS ND1 N -4.561 -2.522 7.517 . . . 1.0 . . . . . . . . . . . . A . 6 HIS ND1 . . . . . . . . . c30449_6cxr 1 . 11 . 1374 . 1 1 6 HIS NE2 N -5.366 -1.073 8.872 . . . 1.0 . . . . . . . . . . . . A . 6 HIS NE2 . . . . . . . . . c30449_6cxr 1 . 11 . 1375 . 1 1 6 HIS O O -6.989 1.262 5.205 . . . 1.0 . . . . . . . . . . . . A . 6 HIS O . . . . . . . . . c30449_6cxr 1 . 12 . 1376 . 1 1 1 HIS C C 5.316 0.965 -3.124 . . . 1.0 . . . . . . . . . . . . A . 1 HIS C . . . . . . . . . c30449_6cxr 1 . 12 . 1377 . 1 1 1 HIS CA C 5.441 1.621 -4.495 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CA . . . . . . . . . c30449_6cxr 1 . 12 . 1378 . 1 1 1 HIS CB C 5.420 0.556 -5.592 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CB . . . . . . . . . c30449_6cxr 1 . 12 . 1379 . 1 1 1 HIS CD2 C 5.199 0.740 -8.170 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CD2 . . . . . . . . . c30449_6cxr 1 . 12 . 1380 . 1 1 1 HIS CE1 C 3.582 2.218 -8.249 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CE1 . . . . . . . . . c30449_6cxr 1 . 12 . 1381 . 1 1 1 HIS CG C 4.869 1.050 -6.894 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CG . . . . . . . . . c30449_6cxr 1 . 12 . 1382 . 1 1 1 HIS H1 H 7.483 1.714 -4.729 . . . 1.0 . . . . . . . . . . . . A . 1 HIS H1 . . . . . . . . . c30449_6cxr 1 . 12 . 1383 . 1 1 1 HIS H2 H 6.819 2.944 -3.733 . . . 1.0 . . . . . . . . . . . . A . 1 HIS H2 . . . . . . . . . c30449_6cxr 1 . 12 . 1384 . 1 1 1 HIS H3 H 6.623 3.017 -5.436 . . . 1.0 . . . . . . . . . . . . A . 1 HIS H3 . . . . . . . . . c30449_6cxr 1 . 12 . 1385 . 1 1 1 HIS HA H 4.611 2.296 -4.639 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HA . . . . . . . . . c30449_6cxr 1 . 12 . 1386 . 1 1 1 HIS HB2 H 6.427 0.211 -5.769 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HB2 . . . . . . . . . c30449_6cxr 1 . 12 . 1387 . 1 1 1 HIS HB3 H 4.811 -0.275 -5.267 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HB3 . . . . . . . . . c30449_6cxr 1 . 12 . 1388 . 1 1 1 HIS HD1 H 3.398 2.400 -6.219 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HD1 . . . . . . . . . c30449_6cxr 1 . 12 . 1389 . 1 1 1 HIS HD2 H 5.962 0.041 -8.483 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HD2 . . . . . . . . . c30449_6cxr 1 . 12 . 1390 . 1 1 1 HIS HE1 H 2.831 2.902 -8.618 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HE1 . . . . . . . . . c30449_6cxr 1 . 12 . 1391 . 1 1 1 HIS HE2 H 4.334 1.395 -9.967 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HE2 . . . . . . . . . c30449_6cxr 1 . 12 . 1392 . 1 1 1 HIS N N 6.705 2.394 -4.609 . . . 1.0 . . . . . . . . . . . . A . 1 HIS N . . . . . . . . . c30449_6cxr 1 . 12 . 1393 . 1 1 1 HIS ND1 N 3.853 1.979 -6.978 . . . 1.0 . . . . . . . . . . . . A . 1 HIS ND1 . . . . . . . . . c30449_6cxr 1 . 12 . 1394 . 1 1 1 HIS NE2 N 4.385 1.479 -8.992 . . . 1.0 . . . . . . . . . . . . A . 1 HIS NE2 . . . . . . . . . c30449_6cxr 1 . 12 . 1395 . 1 1 1 HIS O O 6.042 0.022 -2.808 . . . 1.0 . . . . . . . . . . . . A . 1 HIS O . . . . . . . . . c30449_6cxr 1 . 12 . 1396 . 1 1 2 ARG C C 2.822 1.381 -0.426 . . . 1.0 . . . . . . . . . . . . A . 2 ARG C . . . . . . . . . c30449_6cxr 1 . 12 . 1397 . 1 1 2 ARG CA C 4.172 0.934 -0.976 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CA . . . . . . . . . c30449_6cxr 1 . 12 . 1398 . 1 1 2 ARG CB C 5.294 1.377 -0.034 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CB . . . . . . . . . c30449_6cxr 1 . 12 . 1399 . 1 1 2 ARG CD C 6.578 0.717 2.021 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CD . . . . . . . . . c30449_6cxr 1 . 12 . 1400 . 1 1 2 ARG CG C 5.216 0.746 1.346 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CG . . . . . . . . . c30449_6cxr 1 . 12 . 1401 . 1 1 2 ARG CZ C 6.586 2.801 3.337 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CZ . . . . . . . . . c30449_6cxr 1 . 12 . 1402 . 1 1 2 ARG H H 3.845 2.222 -2.623 . . . 1.0 . . . . . . . . . . . . A . 2 ARG H . . . . . . . . . c30449_6cxr 1 . 12 . 1403 . 1 1 2 ARG HA H 4.178 -0.143 -1.047 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HA . . . . . . . . . c30449_6cxr 1 . 12 . 1404 . 1 1 2 ARG HB2 H 6.243 1.112 -0.475 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB2 . . . . . . . . . c30449_6cxr 1 . 12 . 1405 . 1 1 2 ARG HB3 H 5.248 2.450 0.081 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB3 . . . . . . . . . c30449_6cxr 1 . 12 . 1406 . 1 1 2 ARG HD2 H 6.501 0.148 2.935 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD2 . . . . . . . . . c30449_6cxr 1 . 12 . 1407 . 1 1 2 ARG HD3 H 7.284 0.239 1.358 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD3 . . . . . . . . . c30449_6cxr 1 . 12 . 1408 . 1 1 2 ARG HE H 7.774 2.428 1.777 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HE . . . . . . . . . c30449_6cxr 1 . 12 . 1409 . 1 1 2 ARG HG2 H 4.535 1.323 1.959 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG2 . . . . . . . . . c30449_6cxr 1 . 12 . 1410 . 1 1 2 ARG HG3 H 4.851 -0.269 1.248 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG3 . . . . . . . . . c30449_6cxr 1 . 12 . 1411 . 1 1 2 ARG HH11 H 5.242 1.423 3.958 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH11 . . . . . . . . . c30449_6cxr 1 . 12 . 1412 . 1 1 2 ARG HH12 H 5.267 2.897 4.866 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH12 . . . . . . . . . c30449_6cxr 1 . 12 . 1413 . 1 1 2 ARG HH21 H 7.808 4.368 2.970 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH21 . . . . . . . . . c30449_6cxr 1 . 12 . 1414 . 1 1 2 ARG HH22 H 6.724 4.569 4.306 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH22 . . . . . . . . . c30449_6cxr 1 . 12 . 1415 . 1 1 2 ARG N N 4.392 1.471 -2.313 . . . 1.0 . . . . . . . . . . . . A . 2 ARG N . . . . . . . . . c30449_6cxr 1 . 12 . 1416 . 1 1 2 ARG NE N 7.060 2.060 2.338 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NE . . . . . . . . . c30449_6cxr 1 . 12 . 1417 . 1 1 2 ARG NH1 N 5.619 2.335 4.117 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH1 . . . . . . . . . c30449_6cxr 1 . 12 . 1418 . 1 1 2 ARG NH2 N 7.080 4.012 3.555 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH2 . . . . . . . . . c30449_6cxr 1 . 12 . 1419 . 1 1 2 ARG O O 2.694 1.696 0.757 . . . 1.0 . . . . . . . . . . . . A . 2 ARG O . . . . . . . . . c30449_6cxr 1 . 12 . 1420 . 1 1 3 PHE C C -0.282 0.662 -0.274 . . . 1.0 . . . . . . . . . . . . A . 3 PHE C . . . . . . . . . c30449_6cxr 1 . 12 . 1421 . 1 1 3 PHE CA C 0.484 1.819 -0.910 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CA . . . . . . . . . c30449_6cxr 1 . 12 . 1422 . 1 1 3 PHE CB C -0.260 2.343 -2.138 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CB . . . . . . . . . c30449_6cxr 1 . 12 . 1423 . 1 1 3 PHE CD1 C 0.900 1.728 -4.280 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD1 . . . . . . . . . c30449_6cxr 1 . 12 . 1424 . 1 1 3 PHE CD2 C -0.995 0.443 -3.614 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD2 . . . . . . . . . c30449_6cxr 1 . 12 . 1425 . 1 1 3 PHE CE1 C 1.036 0.947 -5.413 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE1 . . . . . . . . . c30449_6cxr 1 . 12 . 1426 . 1 1 3 PHE CE2 C -0.864 -0.341 -4.744 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE2 . . . . . . . . . c30449_6cxr 1 . 12 . 1427 . 1 1 3 PHE CG C -0.115 1.486 -3.367 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CG . . . . . . . . . c30449_6cxr 1 . 12 . 1428 . 1 1 3 PHE CZ C 0.153 -0.089 -5.644 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CZ . . . . . . . . . c30449_6cxr 1 . 12 . 1429 . 1 1 3 PHE H H 1.978 1.157 -2.221 . . . 1.0 . . . . . . . . . . . . A . 3 PHE H . . . . . . . . . c30449_6cxr 1 . 12 . 1430 . 1 1 3 PHE HA H 0.576 2.616 -0.188 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HA . . . . . . . . . c30449_6cxr 1 . 12 . 1431 . 1 1 3 PHE HB2 H -1.307 2.407 -1.906 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB2 . . . . . . . . . c30449_6cxr 1 . 12 . 1432 . 1 1 3 PHE HB3 H 0.121 3.329 -2.377 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB3 . . . . . . . . . c30449_6cxr 1 . 12 . 1433 . 1 1 3 PHE HD1 H 1.593 2.537 -4.100 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD1 . . . . . . . . . c30449_6cxr 1 . 12 . 1434 . 1 1 3 PHE HD2 H -1.790 0.245 -2.913 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD2 . . . . . . . . . c30449_6cxr 1 . 12 . 1435 . 1 1 3 PHE HE1 H 1.831 1.148 -6.116 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE1 . . . . . . . . . c30449_6cxr 1 . 12 . 1436 . 1 1 3 PHE HE2 H -1.556 -1.151 -4.923 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE2 . . . . . . . . . c30449_6cxr 1 . 12 . 1437 . 1 1 3 PHE HZ H 0.257 -0.700 -6.529 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HZ . . . . . . . . . c30449_6cxr 1 . 12 . 1438 . 1 1 3 PHE N N 1.818 1.410 -1.295 . . . 1.0 . . . . . . . . . . . . A . 3 PHE N . . . . . . . . . c30449_6cxr 1 . 12 . 1439 . 1 1 3 PHE O O -0.945 -0.113 -0.961 . . . 1.0 . . . . . . . . . . . . A . 3 PHE O . . . . . . . . . c30449_6cxr 1 . 12 . 1440 . 1 1 4 LEU C C -2.358 -0.351 1.762 . . . 1.0 . . . . . . . . . . . . A . 4 LEU C . . . . . . . . . c30449_6cxr 1 . 12 . 1441 . 1 1 4 LEU CA C -0.851 -0.516 1.778 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CA . . . . . . . . . c30449_6cxr 1 . 12 . 1442 . 1 1 4 LEU CB C -0.388 -0.541 3.229 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CB . . . . . . . . . c30449_6cxr 1 . 12 . 1443 . 1 1 4 LEU CD1 C 1.855 0.481 3.636 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD1 . . . . . . . . . c30449_6cxr 1 . 12 . 1444 . 1 1 4 LEU CD2 C 1.334 -1.782 4.565 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD2 . . . . . . . . . c30449_6cxr 1 . 12 . 1445 . 1 1 4 LEU CG C 1.101 -0.816 3.413 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CG . . . . . . . . . c30449_6cxr 1 . 12 . 1446 . 1 1 4 LEU H H 0.373 1.186 1.540 . . . 1.0 . . . . . . . . . . . . A . 4 LEU H . . . . . . . . . c30449_6cxr 1 . 12 . 1447 . 1 1 4 LEU HA H -0.590 -1.450 1.316 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HA . . . . . . . . . c30449_6cxr 1 . 12 . 1448 . 1 1 4 LEU HB2 H -0.620 0.418 3.672 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB2 . . . . . . . . . c30449_6cxr 1 . 12 . 1449 . 1 1 4 LEU HB3 H -0.951 -1.303 3.752 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB3 . . . . . . . . . c30449_6cxr 1 . 12 . 1450 . 1 1 4 LEU HD11 H 2.794 0.446 3.105 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD11 . . . . . . . . . c30449_6cxr 1 . 12 . 1451 . 1 1 4 LEU HD12 H 2.040 0.615 4.691 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD12 . . . . . . . . . c30449_6cxr 1 . 12 . 1452 . 1 1 4 LEU HD13 H 1.263 1.305 3.266 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD13 . . . . . . . . . c30449_6cxr 1 . 12 . 1453 . 1 1 4 LEU HD21 H 0.774 -2.690 4.393 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD21 . . . . . . . . . c30449_6cxr 1 . 12 . 1454 . 1 1 4 LEU HD22 H 1.006 -1.327 5.488 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD22 . . . . . . . . . c30449_6cxr 1 . 12 . 1455 . 1 1 4 LEU HD23 H 2.386 -2.015 4.633 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD23 . . . . . . . . . c30449_6cxr 1 . 12 . 1456 . 1 1 4 LEU HG H 1.485 -1.267 2.510 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HG . . . . . . . . . c30449_6cxr 1 . 12 . 1457 . 1 1 4 LEU N N -0.178 0.547 1.046 . . . 1.0 . . . . . . . . . . . . A . 4 LEU N . . . . . . . . . c30449_6cxr 1 . 12 . 1458 . 1 1 4 LEU O O -2.895 0.546 2.412 . . . 1.0 . . . . . . . . . . . . A . 4 LEU O . . . . . . . . . c30449_6cxr 1 . 12 . 1459 . 1 1 5 ARG C C -4.996 -1.579 2.414 . . . 1.0 . . . . . . . . . . . . A . 5 ARG C . . . . . . . . . c30449_6cxr 1 . 12 . 1460 . 1 1 5 ARG CA C -4.489 -1.186 1.039 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CA . . . . . . . . . c30449_6cxr 1 . 12 . 1461 . 1 1 5 ARG CB C -5.028 -2.114 -0.030 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CB . . . . . . . . . c30449_6cxr 1 . 12 . 1462 . 1 1 5 ARG CD C -3.997 -1.109 -2.063 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CD . . . . . . . . . c30449_6cxr 1 . 12 . 1463 . 1 1 5 ARG CG C -5.290 -1.390 -1.319 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CG . . . . . . . . . c30449_6cxr 1 . 12 . 1464 . 1 1 5 ARG CZ C -4.624 0.101 -4.119 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CZ . . . . . . . . . c30449_6cxr 1 . 12 . 1465 . 1 1 5 ARG H H -2.586 -1.957 0.590 . . . 1.0 . . . . . . . . . . . . A . 5 ARG H . . . . . . . . . c30449_6cxr 1 . 12 . 1466 . 1 1 5 ARG HA H -4.790 -0.178 0.812 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HA . . . . . . . . . c30449_6cxr 1 . 12 . 1467 . 1 1 5 ARG HB2 H -4.306 -2.884 -0.222 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HB2 . . . . . . . . . c30449_6cxr 1 . 12 . 1468 . 1 1 5 ARG HB3 H -5.949 -2.556 0.312 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HB3 . . . . . . . . . c30449_6cxr 1 . 12 . 1469 . 1 1 5 ARG HD2 H -3.204 -0.967 -1.338 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HD2 . . . . . . . . . c30449_6cxr 1 . 12 . 1470 . 1 1 5 ARG HD3 H -3.763 -1.957 -2.690 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HD3 . . . . . . . . . c30449_6cxr 1 . 12 . 1471 . 1 1 5 ARG HE H -3.746 0.925 -2.527 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HE . . . . . . . . . c30449_6cxr 1 . 12 . 1472 . 1 1 5 ARG HG2 H -5.933 -1.986 -1.930 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HG2 . . . . . . . . . c30449_6cxr 1 . 12 . 1473 . 1 1 5 ARG HG3 H -5.769 -0.461 -1.091 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HG3 . . . . . . . . . c30449_6cxr 1 . 12 . 1474 . 1 1 5 ARG HH11 H -5.088 -1.868 -4.135 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH11 . . . . . . . . . c30449_6cxr 1 . 12 . 1475 . 1 1 5 ARG HH12 H -5.510 -0.994 -5.569 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH12 . . . . . . . . . c30449_6cxr 1 . 12 . 1476 . 1 1 5 ARG HH21 H -4.300 2.074 -4.413 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH21 . . . . . . . . . c30449_6cxr 1 . 12 . 1477 . 1 1 5 ARG HH22 H -5.063 1.243 -5.727 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH22 . . . . . . . . . c30449_6cxr 1 . 12 . 1478 . 1 1 5 ARG N N -3.049 -1.240 1.063 . . . 1.0 . . . . . . . . . . . . A . 5 ARG N . . . . . . . . . c30449_6cxr 1 . 12 . 1479 . 1 1 5 ARG NE N -4.095 0.087 -2.897 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NE . . . . . . . . . c30449_6cxr 1 . 12 . 1480 . 1 1 5 ARG NH1 N -5.114 -1.012 -4.651 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NH1 . . . . . . . . . c30449_6cxr 1 . 12 . 1481 . 1 1 5 ARG NH2 N -4.665 1.232 -4.809 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NH2 . . . . . . . . . c30449_6cxr 1 . 12 . 1482 . 1 1 5 ARG O O -5.140 -2.761 2.724 . . . 1.0 . . . . . . . . . . . . A . 5 ARG O . . . . . . . . . c30449_6cxr 1 . 12 . 1483 . 1 1 6 HIS C C -5.945 0.507 5.321 . . . 1.0 . . . . . . . . . . . . A . 6 HIS C . . . . . . . . . c30449_6cxr 1 . 12 . 1484 . 1 1 6 HIS CA C -5.655 -0.814 4.616 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CA . . . . . . . . . c30449_6cxr 1 . 12 . 1485 . 1 1 6 HIS CB C -4.560 -1.597 5.359 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CB . . . . . . . . . c30449_6cxr 1 . 12 . 1486 . 1 1 6 HIS CD2 C -5.406 -1.045 7.759 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CD2 . . . . . . . . . c30449_6cxr 1 . 12 . 1487 . 1 1 6 HIS CE1 C -4.897 -2.951 8.716 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CE1 . . . . . . . . . c30449_6cxr 1 . 12 . 1488 . 1 1 6 HIS CG C -4.845 -1.837 6.813 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CG . . . . . . . . . c30449_6cxr 1 . 12 . 1489 . 1 1 6 HIS H H -5.051 0.342 2.955 . . . 1.0 . . . . . . . . . . . . A . 6 HIS H . . . . . . . . . c30449_6cxr 1 . 12 . 1490 . 1 1 6 HIS HA H -6.556 -1.405 4.587 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HA . . . . . . . . . c30449_6cxr 1 . 12 . 1491 . 1 1 6 HIS HB2 H -4.450 -2.566 4.886 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HB2 . . . . . . . . . c30449_6cxr 1 . 12 . 1492 . 1 1 6 HIS HB3 H -3.617 -1.054 5.281 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HB3 . . . . . . . . . c30449_6cxr 1 . 12 . 1493 . 1 1 6 HIS HD1 H -4.118 -3.804 7.028 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HD1 . . . . . . . . . c30449_6cxr 1 . 12 . 1494 . 1 1 6 HIS HD2 H -5.772 -0.039 7.619 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HD2 . . . . . . . . . c30449_6cxr 1 . 12 . 1495 . 1 1 6 HIS HE1 H -4.777 -3.731 9.452 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HE1 . . . . . . . . . c30449_6cxr 1 . 12 . 1496 . 1 1 6 HIS HE2 H -5.850 -1.474 9.766 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HE2 . . . . . . . . . c30449_6cxr 1 . 12 . 1497 . 1 1 6 HIS N N -5.219 -0.577 3.252 . . . 1.0 . . . . . . . . . . . . A . 6 HIS N . . . . . . . . . c30449_6cxr 1 . 12 . 1498 . 1 1 6 HIS ND1 N -4.537 -3.024 7.447 . . . 1.0 . . . . . . . . . . . . A . 6 HIS ND1 . . . . . . . . . c30449_6cxr 1 . 12 . 1499 . 1 1 6 HIS NE2 N -5.426 -1.761 8.930 . . . 1.0 . . . . . . . . . . . . A . 6 HIS NE2 . . . . . . . . . c30449_6cxr 1 . 12 . 1500 . 1 1 6 HIS O O -4.983 1.152 5.788 . . . 1.0 . . . . . . . . . . . . A . 6 HIS O . . . . . . . . . c30449_6cxr 1 . 13 . 1501 . 1 1 1 HIS C C 4.620 2.170 -2.681 . . . 1.0 . . . . . . . . . . . . A . 1 HIS C . . . . . . . . . c30449_6cxr 1 . 13 . 1502 . 1 1 1 HIS CA C 4.960 2.515 -4.128 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CA . . . . . . . . . c30449_6cxr 1 . 13 . 1503 . 1 1 1 HIS CB C 4.273 1.540 -5.088 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CB . . . . . . . . . c30449_6cxr 1 . 13 . 1504 . 1 1 1 HIS CD2 C 3.362 1.937 -7.484 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CD2 . . . . . . . . . c30449_6cxr 1 . 13 . 1505 . 1 1 1 HIS CE1 C 2.124 3.698 -7.068 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CE1 . . . . . . . . . c30449_6cxr 1 . 13 . 1506 . 1 1 1 HIS CG C 3.483 2.217 -6.164 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CG . . . . . . . . . c30449_6cxr 1 . 13 . 1507 . 1 1 1 HIS H1 H 6.873 3.190 -3.781 . . . 1.0 . . . . . . . . . . . . A . 1 HIS H1 . . . . . . . . . c30449_6cxr 1 . 13 . 1508 . 1 1 1 HIS H2 H 6.593 2.622 -5.376 . . . 1.0 . . . . . . . . . . . . A . 1 HIS H2 . . . . . . . . . c30449_6cxr 1 . 13 . 1509 . 1 1 1 HIS H3 H 6.753 1.507 -4.082 . . . 1.0 . . . . . . . . . . . . A . 1 HIS H3 . . . . . . . . . c30449_6cxr 1 . 13 . 1510 . 1 1 1 HIS HA H 4.622 3.519 -4.340 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HA . . . . . . . . . c30449_6cxr 1 . 13 . 1511 . 1 1 1 HIS HB2 H 5.023 0.926 -5.564 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HB2 . . . . . . . . . c30449_6cxr 1 . 13 . 1512 . 1 1 1 HIS HB3 H 3.600 0.907 -4.528 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HB3 . . . . . . . . . c30449_6cxr 1 . 13 . 1513 . 1 1 1 HIS HD1 H 2.573 3.773 -5.073 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HD1 . . . . . . . . . c30449_6cxr 1 . 13 . 1514 . 1 1 1 HIS HD2 H 3.845 1.129 -8.015 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HD2 . . . . . . . . . c30449_6cxr 1 . 13 . 1515 . 1 1 1 HIS HE1 H 1.454 4.536 -7.192 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HE1 . . . . . . . . . c30449_6cxr 1 . 13 . 1516 . 1 1 1 HIS HE2 H 2.308 2.974 -8.975 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HE2 . . . . . . . . . c30449_6cxr 1 . 13 . 1517 . 1 1 1 HIS N N 6.427 2.453 -4.363 . . . 1.0 . . . . . . . . . . . . A . 1 HIS N . . . . . . . . . c30449_6cxr 1 . 13 . 1518 . 1 1 1 HIS ND1 N 2.696 3.326 -5.936 . . . 1.0 . . . . . . . . . . . . A . 1 HIS ND1 . . . . . . . . . c30449_6cxr 1 . 13 . 1519 . 1 1 1 HIS NE2 N 2.513 2.873 -8.022 . . . 1.0 . . . . . . . . . . . . A . 1 HIS NE2 . . . . . . . . . c30449_6cxr 1 . 13 . 1520 . 1 1 1 HIS O O 4.369 3.057 -1.865 . . . 1.0 . . . . . . . . . . . . A . 1 HIS O . . . . . . . . . c30449_6cxr 1 . 13 . 1521 . 1 1 2 ARG C C 2.954 0.943 -0.549 . . . 1.0 . . . . . . . . . . . . A . 2 ARG C . . . . . . . . . c30449_6cxr 1 . 13 . 1522 . 1 1 2 ARG CA C 4.309 0.418 -1.017 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CA . . . . . . . . . c30449_6cxr 1 . 13 . 1523 . 1 1 2 ARG CB C 5.404 0.863 -0.046 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CB . . . . . . . . . c30449_6cxr 1 . 13 . 1524 . 1 1 2 ARG CD C 6.775 -0.191 1.777 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CD . . . . . . . . . c30449_6cxr 1 . 13 . 1525 . 1 1 2 ARG CG C 5.372 0.127 1.283 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CG . . . . . . . . . c30449_6cxr 1 . 13 . 1526 . 1 1 2 ARG CZ C 6.711 0.178 4.213 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CZ . . . . . . . . . c30449_6cxr 1 . 13 . 1527 . 1 1 2 ARG H H 4.825 0.217 -3.060 . . . 1.0 . . . . . . . . . . . . A . 2 ARG H . . . . . . . . . c30449_6cxr 1 . 13 . 1528 . 1 1 2 ARG HA H 4.275 -0.661 -1.034 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HA . . . . . . . . . c30449_6cxr 1 . 13 . 1529 . 1 1 2 ARG HB2 H 6.366 0.693 -0.506 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB2 . . . . . . . . . c30449_6cxr 1 . 13 . 1530 . 1 1 2 ARG HB3 H 5.289 1.919 0.148 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB3 . . . . . . . . . c30449_6cxr 1 . 13 . 1531 . 1 1 2 ARG HD2 H 7.193 -0.969 1.156 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD2 . . . . . . . . . c30449_6cxr 1 . 13 . 1532 . 1 1 2 ARG HD3 H 7.382 0.699 1.695 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD3 . . . . . . . . . c30449_6cxr 1 . 13 . 1533 . 1 1 2 ARG HE H 6.834 -1.607 3.329 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HE . . . . . . . . . c30449_6cxr 1 . 13 . 1534 . 1 1 2 ARG HG2 H 4.876 0.750 2.016 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG2 . . . . . . . . . c30449_6cxr 1 . 13 . 1535 . 1 1 2 ARG HG3 H 4.824 -0.800 1.158 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG3 . . . . . . . . . c30449_6cxr 1 . 13 . 1536 . 1 1 2 ARG HH11 H 6.625 1.871 3.108 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH11 . . . . . . . . . c30449_6cxr 1 . 13 . 1537 . 1 1 2 ARG HH12 H 6.584 2.101 4.824 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH12 . . . . . . . . . c30449_6cxr 1 . 13 . 1538 . 1 1 2 ARG HH21 H 6.780 -1.304 5.585 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH21 . . . . . . . . . c30449_6cxr 1 . 13 . 1539 . 1 1 2 ARG HH22 H 6.672 0.300 6.230 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH22 . . . . . . . . . c30449_6cxr 1 . 13 . 1540 . 1 1 2 ARG N N 4.615 0.878 -2.367 . . . 1.0 . . . . . . . . . . . . A . 2 ARG N . . . . . . . . . c30449_6cxr 1 . 13 . 1541 . 1 1 2 ARG NE N 6.778 -0.642 3.167 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NE . . . . . . . . . c30449_6cxr 1 . 13 . 1542 . 1 1 2 ARG NH1 N 6.634 1.491 4.033 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH1 . . . . . . . . . c30449_6cxr 1 . 13 . 1543 . 1 1 2 ARG NH2 N 6.722 -0.316 5.444 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH2 . . . . . . . . . c30449_6cxr 1 . 13 . 1544 . 1 1 2 ARG O O 2.804 1.367 0.597 . . . 1.0 . . . . . . . . . . . . A . 2 ARG O . . . . . . . . . c30449_6cxr 1 . 13 . 1545 . 1 1 3 PHE C C -0.167 0.311 -0.404 . . . 1.0 . . . . . . . . . . . . A . 3 PHE C . . . . . . . . . c30449_6cxr 1 . 13 . 1546 . 1 1 3 PHE CA C 0.639 1.388 -1.126 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CA . . . . . . . . . c30449_6cxr 1 . 13 . 1547 . 1 1 3 PHE CB C -0.070 1.816 -2.411 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CB . . . . . . . . . c30449_6cxr 1 . 13 . 1548 . 1 1 3 PHE CD1 C -0.846 -0.189 -3.716 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD1 . . . . . . . . . c30449_6cxr 1 . 13 . 1549 . 1 1 3 PHE CD2 C 1.103 0.964 -4.463 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD2 . . . . . . . . . c30449_6cxr 1 . 13 . 1550 . 1 1 3 PHE CE1 C -0.725 -1.080 -4.766 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE1 . . . . . . . . . c30449_6cxr 1 . 13 . 1551 . 1 1 3 PHE CE2 C 1.230 0.075 -5.514 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE2 . . . . . . . . . c30449_6cxr 1 . 13 . 1552 . 1 1 3 PHE CG C 0.066 0.842 -3.551 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CG . . . . . . . . . c30449_6cxr 1 . 13 . 1553 . 1 1 3 PHE CZ C 0.315 -0.948 -5.666 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CZ . . . . . . . . . c30449_6cxr 1 . 13 . 1554 . 1 1 3 PHE H H 2.143 0.576 -2.339 . . . 1.0 . . . . . . . . . . . . A . 3 PHE H . . . . . . . . . c30449_6cxr 1 . 13 . 1555 . 1 1 3 PHE HA H 0.737 2.245 -0.477 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HA . . . . . . . . . c30449_6cxr 1 . 13 . 1556 . 1 1 3 PHE HB2 H -1.118 1.932 -2.205 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB2 . . . . . . . . . c30449_6cxr 1 . 13 . 1557 . 1 1 3 PHE HB3 H 0.345 2.763 -2.735 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB3 . . . . . . . . . c30449_6cxr 1 . 13 . 1558 . 1 1 3 PHE HD1 H -1.660 -0.294 -3.015 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD1 . . . . . . . . . c30449_6cxr 1 . 13 . 1559 . 1 1 3 PHE HD2 H 1.820 1.763 -4.346 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD2 . . . . . . . . . c30449_6cxr 1 . 13 . 1560 . 1 1 3 PHE HE1 H -1.442 -1.879 -4.882 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE1 . . . . . . . . . c30449_6cxr 1 . 13 . 1561 . 1 1 3 PHE HE2 H 2.043 0.181 -6.216 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE2 . . . . . . . . . c30449_6cxr 1 . 13 . 1562 . 1 1 3 PHE HZ H 0.411 -1.643 -6.486 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HZ . . . . . . . . . c30449_6cxr 1 . 13 . 1563 . 1 1 3 PHE N N 1.970 0.916 -1.443 . . . 1.0 . . . . . . . . . . . . A . 3 PHE N . . . . . . . . . c30449_6cxr 1 . 13 . 1564 . 1 1 3 PHE O O -0.836 -0.508 -1.031 . . . 1.0 . . . . . . . . . . . . A . 3 PHE O . . . . . . . . . c30449_6cxr 1 . 13 . 1565 . 1 1 4 LEU C C -2.298 -0.439 1.706 . . . 1.0 . . . . . . . . . . . . A . 4 LEU C . . . . . . . . . c30449_6cxr 1 . 13 . 1566 . 1 1 4 LEU CA C -0.798 -0.658 1.737 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CA . . . . . . . . . c30449_6cxr 1 . 13 . 1567 . 1 1 4 LEU CB C -0.331 -0.582 3.184 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CB . . . . . . . . . c30449_6cxr 1 . 13 . 1568 . 1 1 4 LEU CD1 C 1.939 0.421 3.479 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD1 . . . . . . . . . c30449_6cxr 1 . 13 . 1569 . 1 1 4 LEU CD2 C 1.372 -1.732 4.622 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD2 . . . . . . . . . c30449_6cxr 1 . 13 . 1570 . 1 1 4 LEU CG C 1.153 -0.874 3.385 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CG . . . . . . . . . c30449_6cxr 1 . 13 . 1571 . 1 1 4 LEU H H 0.470 0.985 1.366 . . . 1.0 . . . . . . . . . . . . A . 4 LEU H . . . . . . . . . c30449_6cxr 1 . 13 . 1572 . 1 1 4 LEU HA H -0.574 -1.636 1.353 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HA . . . . . . . . . c30449_6cxr 1 . 13 . 1573 . 1 1 4 LEU HB2 H -0.541 0.412 3.553 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB2 . . . . . . . . . c30449_6cxr 1 . 13 . 1574 . 1 1 4 LEU HB3 H -0.907 -1.291 3.765 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB3 . . . . . . . . . c30449_6cxr 1 . 13 . 1575 . 1 1 4 LEU HD11 H 1.339 1.232 3.095 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD11 . . . . . . . . . c30449_6cxr 1 . 13 . 1576 . 1 1 4 LEU HD12 H 2.843 0.335 2.894 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD12 . . . . . . . . . c30449_6cxr 1 . 13 . 1577 . 1 1 4 LEU HD13 H 2.193 0.616 4.509 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD13 . . . . . . . . . c30449_6cxr 1 . 13 . 1578 . 1 1 4 LEU HD21 H 0.556 -1.582 5.313 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD21 . . . . . . . . . c30449_6cxr 1 . 13 . 1579 . 1 1 4 LEU HD22 H 2.301 -1.450 5.096 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD22 . . . . . . . . . c30449_6cxr 1 . 13 . 1580 . 1 1 4 LEU HD23 H 1.416 -2.772 4.336 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD23 . . . . . . . . . c30449_6cxr 1 . 13 . 1581 . 1 1 4 LEU HG H 1.519 -1.417 2.527 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HG . . . . . . . . . c30449_6cxr 1 . 13 . 1582 . 1 1 4 LEU N N -0.088 0.316 0.923 . . . 1.0 . . . . . . . . . . . . A . 4 LEU N . . . . . . . . . c30449_6cxr 1 . 13 . 1583 . 1 1 4 LEU O O -2.796 0.546 2.252 . . . 1.0 . . . . . . . . . . . . A . 4 LEU O . . . . . . . . . c30449_6cxr 1 . 13 . 1584 . 1 1 5 ARG C C -4.976 -1.453 2.502 . . . 1.0 . . . . . . . . . . . . A . 5 ARG C . . . . . . . . . c30449_6cxr 1 . 13 . 1585 . 1 1 5 ARG CA C -4.464 -1.271 1.085 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CA . . . . . . . . . c30449_6cxr 1 . 13 . 1586 . 1 1 5 ARG CB C -5.041 -2.318 0.155 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CB . . . . . . . . . c30449_6cxr 1 . 13 . 1587 . 1 1 5 ARG CD C -3.952 -1.715 -2.003 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CD . . . . . . . . . c30449_6cxr 1 . 13 . 1588 . 1 1 5 ARG CG C -5.257 -1.782 -1.230 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CG . . . . . . . . . c30449_6cxr 1 . 13 . 1589 . 1 1 5 ARG CZ C -4.508 -0.793 -4.220 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CZ . . . . . . . . . c30449_6cxr 1 . 13 . 1590 . 1 1 5 ARG H H -2.594 -2.158 0.723 . . . 1.0 . . . . . . . . . . . . A . 5 ARG H . . . . . . . . . c30449_6cxr 1 . 13 . 1591 . 1 1 5 ARG HA H -4.730 -0.293 0.722 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HA . . . . . . . . . c30449_6cxr 1 . 13 . 1592 . 1 1 5 ARG HB2 H -4.357 -3.142 0.089 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HB2 . . . . . . . . . c30449_6cxr 1 . 13 . 1593 . 1 1 5 ARG HB3 H -5.985 -2.659 0.545 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HB3 . . . . . . . . . c30449_6cxr 1 . 13 . 1594 . 1 1 5 ARG HD2 H -3.146 -1.522 -1.304 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HD2 . . . . . . . . . c30449_6cxr 1 . 13 . 1595 . 1 1 5 ARG HD3 H -3.786 -2.664 -2.490 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HD3 . . . . . . . . . c30449_6cxr 1 . 13 . 1596 . 1 1 5 ARG HE H -3.557 0.199 -2.773 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HE . . . . . . . . . c30449_6cxr 1 . 13 . 1597 . 1 1 5 ARG HG2 H -5.948 -2.415 -1.746 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HG2 . . . . . . . . . c30449_6cxr 1 . 13 . 1598 . 1 1 5 ARG HG3 H -5.663 -0.795 -1.148 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HG3 . . . . . . . . . c30449_6cxr 1 . 13 . 1599 . 1 1 5 ARG HH11 H -5.110 -2.704 -3.937 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH11 . . . . . . . . . c30449_6cxr 1 . 13 . 1600 . 1 1 5 ARG HH12 H -5.484 -2.030 -5.487 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH12 . . . . . . . . . c30449_6cxr 1 . 13 . 1601 . 1 1 5 ARG HH21 H -4.051 1.085 -4.811 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH21 . . . . . . . . . c30449_6cxr 1 . 13 . 1602 . 1 1 5 ARG HH22 H -4.883 0.120 -5.984 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH22 . . . . . . . . . c30449_6cxr 1 . 13 . 1603 . 1 1 5 ARG N N -3.026 -1.375 1.114 . . . 1.0 . . . . . . . . . . . . A . 5 ARG N . . . . . . . . . c30449_6cxr 1 . 13 . 1604 . 1 1 5 ARG NE N -3.969 -0.658 -3.011 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NE . . . . . . . . . c30449_6cxr 1 . 13 . 1605 . 1 1 5 ARG NH1 N -5.081 -1.936 -4.577 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NH1 . . . . . . . . . c30449_6cxr 1 . 13 . 1606 . 1 1 5 ARG NH2 N -4.478 0.220 -5.075 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NH2 . . . . . . . . . c30449_6cxr 1 . 13 . 1607 . 1 1 5 ARG O O -5.159 -2.576 2.971 . . . 1.0 . . . . . . . . . . . . A . 5 ARG O . . . . . . . . . c30449_6cxr 1 . 13 . 1608 . 1 1 6 HIS C C -5.800 1.045 5.107 . . . 1.0 . . . . . . . . . . . . A . 6 HIS C . . . . . . . . . c30449_6cxr 1 . 13 . 1609 . 1 1 6 HIS CA C -5.591 -0.371 4.581 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CA . . . . . . . . . c30449_6cxr 1 . 13 . 1610 . 1 1 6 HIS CB C -4.533 -1.112 5.415 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CB . . . . . . . . . c30449_6cxr 1 . 13 . 1611 . 1 1 6 HIS CD2 C -5.307 -0.189 7.724 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CD2 . . . . . . . . . c30449_6cxr 1 . 13 . 1612 . 1 1 6 HIS CE1 C -4.887 -1.971 8.929 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CE1 . . . . . . . . . c30449_6cxr 1 . 13 . 1613 . 1 1 6 HIS CG C -4.806 -1.134 6.890 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CG . . . . . . . . . c30449_6cxr 1 . 13 . 1614 . 1 1 6 HIS H H -4.958 0.524 2.776 . . . 1.0 . . . . . . . . . . . . A . 6 HIS H . . . . . . . . . c30449_6cxr 1 . 13 . 1615 . 1 1 6 HIS HA H -6.524 -0.909 4.632 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HA . . . . . . . . . c30449_6cxr 1 . 13 . 1616 . 1 1 6 HIS HB2 H -4.489 -2.141 5.079 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HB2 . . . . . . . . . c30449_6cxr 1 . 13 . 1617 . 1 1 6 HIS HB3 H -3.559 -0.645 5.254 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HB3 . . . . . . . . . c30449_6cxr 1 . 13 . 1618 . 1 1 6 HIS HD1 H -4.184 -3.091 7.368 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HD1 . . . . . . . . . c30449_6cxr 1 . 13 . 1619 . 1 1 6 HIS HD2 H -5.619 0.807 7.450 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HD2 . . . . . . . . . c30449_6cxr 1 . 13 . 1620 . 1 1 6 HIS HE1 H -4.798 -2.649 9.765 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HE1 . . . . . . . . . c30449_6cxr 1 . 13 . 1621 . 1 1 6 HIS HE2 H -5.580 -0.255 9.804 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HE2 . . . . . . . . . c30449_6cxr 1 . 13 . 1622 . 1 1 6 HIS N N -5.156 -0.339 3.196 . . . 1.0 . . . . . . . . . . . . A . 6 HIS N . . . . . . . . . c30449_6cxr 1 . 13 . 1623 . 1 1 6 HIS ND1 N -4.553 -2.238 7.679 . . . 1.0 . . . . . . . . . . . . A . 6 HIS ND1 . . . . . . . . . c30449_6cxr 1 . 13 . 1624 . 1 1 6 HIS NE2 N -5.346 -0.735 8.983 . . . 1.0 . . . . . . . . . . . . A . 6 HIS NE2 . . . . . . . . . c30449_6cxr 1 . 13 . 1625 . 1 1 6 HIS O O -6.905 1.329 5.615 . . . 1.0 . . . . . . . . . . . . A . 6 HIS O . . . . . . . . . c30449_6cxr 1 . 14 . 1626 . 1 1 1 HIS C C 4.784 2.259 -2.533 . . . 1.0 . . . . . . . . . . . . A . 1 HIS C . . . . . . . . . c30449_6cxr 1 . 14 . 1627 . 1 1 1 HIS CA C 5.140 2.838 -3.900 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CA . . . . . . . . . c30449_6cxr 1 . 14 . 1628 . 1 1 1 HIS CB C 4.124 2.385 -4.952 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CB . . . . . . . . . c30449_6cxr 1 . 14 . 1629 . 1 1 1 HIS CD2 C 3.021 4.017 -6.640 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CD2 . . . . . . . . . c30449_6cxr 1 . 14 . 1630 . 1 1 1 HIS CE1 C 1.684 5.060 -5.250 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CE1 . . . . . . . . . c30449_6cxr 1 . 14 . 1631 . 1 1 1 HIS CG C 3.212 3.480 -5.412 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CG . . . . . . . . . c30449_6cxr 1 . 14 . 1632 . 1 1 1 HIS H1 H 6.434 1.398 -4.594 . . . 1.0 . . . . . . . . . . . . A . 1 HIS H1 . . . . . . . . . c30449_6cxr 1 . 14 . 1633 . 1 1 1 HIS H2 H 7.142 2.544 -3.530 . . . 1.0 . . . . . . . . . . . . A . 1 HIS H2 . . . . . . . . . c30449_6cxr 1 . 14 . 1634 . 1 1 1 HIS H3 H 6.769 2.986 -5.147 . . . 1.0 . . . . . . . . . . . . A . 1 HIS H3 . . . . . . . . . c30449_6cxr 1 . 14 . 1635 . 1 1 1 HIS HA H 5.130 3.916 -3.838 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HA . . . . . . . . . c30449_6cxr 1 . 14 . 1636 . 1 1 1 HIS HB2 H 4.654 2.012 -5.815 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HB2 . . . . . . . . . c30449_6cxr 1 . 14 . 1637 . 1 1 1 HIS HB3 H 3.515 1.593 -4.540 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HB3 . . . . . . . . . c30449_6cxr 1 . 14 . 1638 . 1 1 1 HIS HD1 H 2.264 3.995 -3.601 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HD1 . . . . . . . . . c30449_6cxr 1 . 14 . 1639 . 1 1 1 HIS HD2 H 3.526 3.729 -7.551 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HD2 . . . . . . . . . c30449_6cxr 1 . 14 . 1640 . 1 1 1 HIS HE1 H 0.946 5.737 -4.847 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HE1 . . . . . . . . . c30449_6cxr 1 . 14 . 1641 . 1 1 1 HIS HE2 H 1.788 5.615 -7.218 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HE2 . . . . . . . . . c30449_6cxr 1 . 14 . 1642 . 1 1 1 HIS N N 6.493 2.402 -4.332 . . . 1.0 . . . . . . . . . . . . A . 1 HIS N . . . . . . . . . c30449_6cxr 1 . 14 . 1643 . 1 1 1 HIS ND1 N 2.360 4.155 -4.563 . . . 1.0 . . . . . . . . . . . . A . 1 HIS ND1 . . . . . . . . . c30449_6cxr 1 . 14 . 1644 . 1 1 1 HIS NE2 N 2.068 4.997 -6.511 . . . 1.0 . . . . . . . . . . . . A . 1 HIS NE2 . . . . . . . . . c30449_6cxr 1 . 14 . 1645 . 1 1 1 HIS O O 4.739 2.979 -1.536 . . . 1.0 . . . . . . . . . . . . A . 1 HIS O . . . . . . . . . c30449_6cxr 1 . 14 . 1646 . 1 1 2 ARG C C 2.883 0.824 -0.674 . . . 1.0 . . . . . . . . . . . . A . 2 ARG C . . . . . . . . . c30449_6cxr 1 . 14 . 1647 . 1 1 2 ARG CA C 4.186 0.277 -1.250 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CA . . . . . . . . . c30449_6cxr 1 . 14 . 1648 . 1 1 2 ARG CB C 5.315 0.431 -0.229 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CB . . . . . . . . . c30449_6cxr 1 . 14 . 1649 . 1 1 2 ARG CD C 6.342 -0.682 1.779 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CD . . . . . . . . . c30449_6cxr 1 . 14 . 1650 . 1 1 2 ARG CG C 5.048 -0.289 1.082 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CG . . . . . . . . . c30449_6cxr 1 . 14 . 1651 . 1 1 2 ARG CZ C 5.812 -2.788 2.944 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CZ . . . . . . . . . c30449_6cxr 1 . 14 . 1652 . 1 1 2 ARG H H 4.588 0.432 -3.323 . . . 1.0 . . . . . . . . . . . . A . 2 ARG H . . . . . . . . . c30449_6cxr 1 . 14 . 1653 . 1 1 2 ARG HA H 4.055 -0.771 -1.468 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HA . . . . . . . . . c30449_6cxr 1 . 14 . 1654 . 1 1 2 ARG HB2 H 6.226 0.035 -0.654 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB2 . . . . . . . . . c30449_6cxr 1 . 14 . 1655 . 1 1 2 ARG HB3 H 5.454 1.481 -0.017 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB3 . . . . . . . . . c30449_6cxr 1 . 14 . 1656 . 1 1 2 ARG HD2 H 7.176 -0.352 1.178 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD2 . . . . . . . . . c30449_6cxr 1 . 14 . 1657 . 1 1 2 ARG HD3 H 6.379 -0.194 2.742 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD3 . . . . . . . . . c30449_6cxr 1 . 14 . 1658 . 1 1 2 ARG HE H 7.005 -2.630 1.352 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HE . . . . . . . . . c30449_6cxr 1 . 14 . 1659 . 1 1 2 ARG HG2 H 4.486 0.368 1.732 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG2 . . . . . . . . . c30449_6cxr 1 . 14 . 1660 . 1 1 2 ARG HG3 H 4.471 -1.184 0.879 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG3 . . . . . . . . . c30449_6cxr 1 . 14 . 1661 . 1 1 2 ARG HH11 H 4.927 -1.148 3.732 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH11 . . . . . . . . . c30449_6cxr 1 . 14 . 1662 . 1 1 2 ARG HH12 H 4.570 -2.641 4.533 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH12 . . . . . . . . . c30449_6cxr 1 . 14 . 1663 . 1 1 2 ARG HH21 H 6.536 -4.595 2.403 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH21 . . . . . . . . . c30449_6cxr 1 . 14 . 1664 . 1 1 2 ARG HH22 H 5.484 -4.598 3.779 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH22 . . . . . . . . . c30449_6cxr 1 . 14 . 1665 . 1 1 2 ARG N N 4.535 0.954 -2.495 . . . 1.0 . . . . . . . . . . . . A . 2 ARG N . . . . . . . . . c30449_6cxr 1 . 14 . 1666 . 1 1 2 ARG NE N 6.440 -2.126 1.975 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NE . . . . . . . . . c30449_6cxr 1 . 14 . 1667 . 1 1 2 ARG NH1 N 5.040 -2.139 3.807 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH1 . . . . . . . . . c30449_6cxr 1 . 14 . 1668 . 1 1 2 ARG NH2 N 5.955 -4.101 3.051 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH2 . . . . . . . . . c30449_6cxr 1 . 14 . 1669 . 1 1 2 ARG O O 2.812 1.182 0.502 . . . 1.0 . . . . . . . . . . . . A . 2 ARG O . . . . . . . . . c30449_6cxr 1 . 14 . 1670 . 1 1 3 PHE C C -0.247 0.295 -0.389 . . . 1.0 . . . . . . . . . . . . A . 3 PHE C . . . . . . . . . c30449_6cxr 1 . 14 . 1671 . 1 1 3 PHE CA C 0.559 1.385 -1.089 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CA . . . . . . . . . c30449_6cxr 1 . 14 . 1672 . 1 1 3 PHE CB C -0.201 1.918 -2.303 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CB . . . . . . . . . c30449_6cxr 1 . 14 . 1673 . 1 1 3 PHE CD1 C -1.100 0.024 -3.693 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD1 . . . . . . . . . c30449_6cxr 1 . 14 . 1674 . 1 1 3 PHE CD2 C 0.838 1.177 -4.466 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD2 . . . . . . . . . c30449_6cxr 1 . 14 . 1675 . 1 1 3 PHE CE1 C -1.057 -0.798 -4.804 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE1 . . . . . . . . . c30449_6cxr 1 . 14 . 1676 . 1 1 3 PHE CE2 C 0.886 0.359 -5.578 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE2 . . . . . . . . . c30449_6cxr 1 . 14 . 1677 . 1 1 3 PHE CG C -0.153 1.019 -3.511 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CG . . . . . . . . . c30449_6cxr 1 . 14 . 1678 . 1 1 3 PHE CZ C -0.062 -0.630 -5.747 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CZ . . . . . . . . . c30449_6cxr 1 . 14 . 1679 . 1 1 3 PHE H H 1.960 0.595 -2.432 . . . 1.0 . . . . . . . . . . . . A . 3 PHE H . . . . . . . . . c30449_6cxr 1 . 14 . 1680 . 1 1 3 PHE HA H 0.725 2.196 -0.397 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HA . . . . . . . . . c30449_6cxr 1 . 14 . 1681 . 1 1 3 PHE HB2 H -1.233 2.048 -2.035 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB2 . . . . . . . . . c30449_6cxr 1 . 14 . 1682 . 1 1 3 PHE HB3 H 0.225 2.872 -2.586 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB3 . . . . . . . . . c30449_6cxr 1 . 14 . 1683 . 1 1 3 PHE HD1 H -1.878 -0.108 -2.957 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD1 . . . . . . . . . c30449_6cxr 1 . 14 . 1684 . 1 1 3 PHE HD2 H 1.580 1.950 -4.335 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD2 . . . . . . . . . c30449_6cxr 1 . 14 . 1685 . 1 1 3 PHE HE1 H -1.801 -1.570 -4.933 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE1 . . . . . . . . . c30449_6cxr 1 . 14 . 1686 . 1 1 3 PHE HE2 H 1.665 0.492 -6.314 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE2 . . . . . . . . . c30449_6cxr 1 . 14 . 1687 . 1 1 3 PHE HZ H -0.027 -1.271 -6.616 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HZ . . . . . . . . . c30449_6cxr 1 . 14 . 1688 . 1 1 3 PHE N N 1.851 0.886 -1.509 . . . 1.0 . . . . . . . . . . . . A . 3 PHE N . . . . . . . . . c30449_6cxr 1 . 14 . 1689 . 1 1 3 PHE O O -0.982 -0.459 -1.025 . . . 1.0 . . . . . . . . . . . . A . 3 PHE O . . . . . . . . . c30449_6cxr 1 . 14 . 1690 . 1 1 4 LEU C C -2.299 -0.545 1.717 . . . 1.0 . . . . . . . . . . . . A . 4 LEU C . . . . . . . . . c30449_6cxr 1 . 14 . 1691 . 1 1 4 LEU CA C -0.802 -0.780 1.724 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CA . . . . . . . . . c30449_6cxr 1 . 14 . 1692 . 1 1 4 LEU CB C -0.313 -0.751 3.168 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CB . . . . . . . . . c30449_6cxr 1 . 14 . 1693 . 1 1 4 LEU CD1 C 1.942 0.320 3.349 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD1 . . . . . . . . . c30449_6cxr 1 . 14 . 1694 . 1 1 4 LEU CD2 C 1.457 -1.791 4.607 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD2 . . . . . . . . . c30449_6cxr 1 . 14 . 1695 . 1 1 4 LEU CG C 1.184 -0.997 3.338 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CG . . . . . . . . . c30449_6cxr 1 . 14 . 1696 . 1 1 4 LEU H H 0.507 0.838 1.378 . . . 1.0 . . . . . . . . . . . . A . 4 LEU H . . . . . . . . . c30449_6cxr 1 . 14 . 1697 . 1 1 4 LEU HA H -0.594 -1.748 1.306 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HA . . . . . . . . . c30449_6cxr 1 . 14 . 1698 . 1 1 4 LEU HB2 H -0.555 0.216 3.587 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB2 . . . . . . . . . c30449_6cxr 1 . 14 . 1699 . 1 1 4 LEU HB3 H -0.852 -1.506 3.724 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB3 . . . . . . . . . c30449_6cxr 1 . 14 . 1700 . 1 1 4 LEU HD11 H 2.683 0.312 2.564 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD11 . . . . . . . . . c30449_6cxr 1 . 14 . 1701 . 1 1 4 LEU HD12 H 2.429 0.450 4.304 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD12 . . . . . . . . . c30449_6cxr 1 . 14 . 1702 . 1 1 4 LEU HD13 H 1.252 1.134 3.183 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD13 . . . . . . . . . c30449_6cxr 1 . 14 . 1703 . 1 1 4 LEU HD21 H 2.296 -2.451 4.445 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD21 . . . . . . . . . c30449_6cxr 1 . 14 . 1704 . 1 1 4 LEU HD22 H 0.584 -2.373 4.863 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD22 . . . . . . . . . c30449_6cxr 1 . 14 . 1705 . 1 1 4 LEU HD23 H 1.685 -1.111 5.415 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD23 . . . . . . . . . c30449_6cxr 1 . 14 . 1706 . 1 1 4 LEU HG H 1.540 -1.573 2.497 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HG . . . . . . . . . c30449_6cxr 1 . 14 . 1707 . 1 1 4 LEU N N -0.098 0.216 0.929 . . . 1.0 . . . . . . . . . . . . A . 4 LEU N . . . . . . . . . c30449_6cxr 1 . 14 . 1708 . 1 1 4 LEU O O -2.777 0.454 2.256 . . . 1.0 . . . . . . . . . . . . A . 4 LEU O . . . . . . . . . c30449_6cxr 1 . 14 . 1709 . 1 1 5 ARG C C -4.969 -1.445 2.575 . . . 1.0 . . . . . . . . . . . . A . 5 ARG C . . . . . . . . . c30449_6cxr 1 . 14 . 1710 . 1 1 5 ARG CA C -4.482 -1.363 1.140 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CA . . . . . . . . . c30449_6cxr 1 . 14 . 1711 . 1 1 5 ARG CB C -5.079 -2.467 0.294 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CB . . . . . . . . . c30449_6cxr 1 . 14 . 1712 . 1 1 5 ARG CD C -3.926 -2.145 -1.889 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CD . . . . . . . . . c30449_6cxr 1 . 14 . 1713 . 1 1 5 ARG CG C -5.242 -2.053 -1.139 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CG . . . . . . . . . c30449_6cxr 1 . 14 . 1714 . 1 1 5 ARG CZ C -4.320 -2.081 -4.324 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CZ . . . . . . . . . c30449_6cxr 1 . 14 . 1715 . 1 1 5 ARG H H -2.629 -2.274 0.762 . . . 1.0 . . . . . . . . . . . . A . 5 ARG H . . . . . . . . . c30449_6cxr 1 . 14 . 1716 . 1 1 5 ARG HA H -4.747 -0.410 0.715 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HA . . . . . . . . . c30449_6cxr 1 . 14 . 1717 . 1 1 5 ARG HB2 H -4.428 -3.320 0.321 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HB2 . . . . . . . . . c30449_6cxr 1 . 14 . 1718 . 1 1 5 ARG HB3 H -6.043 -2.734 0.687 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HB3 . . . . . . . . . c30449_6cxr 1 . 14 . 1719 . 1 1 5 ARG HD2 H -3.153 -1.679 -1.289 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HD2 . . . . . . . . . c30449_6cxr 1 . 14 . 1720 . 1 1 5 ARG HD3 H -3.682 -3.186 -2.041 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HD3 . . . . . . . . . c30449_6cxr 1 . 14 . 1721 . 1 1 5 ARG HE H -3.775 -0.520 -3.208 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HE . . . . . . . . . c30449_6cxr 1 . 14 . 1722 . 1 1 5 ARG HG2 H -5.967 -2.686 -1.607 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HG2 . . . . . . . . . c30449_6cxr 1 . 14 . 1723 . 1 1 5 ARG HG3 H -5.582 -1.038 -1.159 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HG3 . . . . . . . . . c30449_6cxr 1 . 14 . 1724 . 1 1 5 ARG HH11 H -4.625 -3.898 -3.486 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH11 . . . . . . . . . c30449_6cxr 1 . 14 . 1725 . 1 1 5 ARG HH12 H -4.879 -3.818 -5.196 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH12 . . . . . . . . . c30449_6cxr 1 . 14 . 1726 . 1 1 5 ARG HH21 H -4.114 -0.419 -5.455 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH21 . . . . . . . . . c30449_6cxr 1 . 14 . 1727 . 1 1 5 ARG HH22 H -4.591 -1.846 -6.313 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH22 . . . . . . . . . c30449_6cxr 1 . 14 . 1728 . 1 1 5 ARG N N -3.047 -1.481 1.149 . . . 1.0 . . . . . . . . . . . . A . 5 ARG N . . . . . . . . . c30449_6cxr 1 . 14 . 1729 . 1 1 5 ARG NE N -3.990 -1.474 -3.185 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NE . . . . . . . . . c30449_6cxr 1 . 14 . 1730 . 1 1 5 ARG NH1 N -4.633 -3.371 -4.335 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NH1 . . . . . . . . . c30449_6cxr 1 . 14 . 1731 . 1 1 5 ARG NH2 N -4.344 -1.392 -5.457 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NH2 . . . . . . . . . c30449_6cxr 1 . 14 . 1732 . 1 1 5 ARG O O -5.154 -2.532 3.121 . . . 1.0 . . . . . . . . . . . . A . 5 ARG O . . . . . . . . . c30449_6cxr 1 . 14 . 1733 . 1 1 6 HIS C C -5.705 1.231 5.025 . . . 1.0 . . . . . . . . . . . . A . 6 HIS C . . . . . . . . . c30449_6cxr 1 . 14 . 1734 . 1 1 6 HIS CA C -5.529 -0.220 4.588 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CA . . . . . . . . . c30449_6cxr 1 . 14 . 1735 . 1 1 6 HIS CB C -4.464 -0.925 5.446 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CB . . . . . . . . . c30449_6cxr 1 . 14 . 1736 . 1 1 6 HIS CD2 C -5.158 0.179 7.702 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CD2 . . . . . . . . . c30449_6cxr 1 . 14 . 1737 . 1 1 6 HIS CE1 C -4.716 -1.512 9.025 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CE1 . . . . . . . . . c30449_6cxr 1 . 14 . 1738 . 1 1 6 HIS CG C -4.691 -0.832 6.927 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CG . . . . . . . . . c30449_6cxr 1 . 14 . 1739 . 1 1 6 HIS H H -4.923 0.546 2.716 . . . 1.0 . . . . . . . . . . . . A . 6 HIS H . . . . . . . . . c30449_6cxr 1 . 14 . 1740 . 1 1 6 HIS HA H -6.469 -0.738 4.694 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HA . . . . . . . . . c30449_6cxr 1 . 14 . 1741 . 1 1 6 HIS HB2 H -4.456 -1.977 5.186 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HB2 . . . . . . . . . c30449_6cxr 1 . 14 . 1742 . 1 1 6 HIS HB3 H -3.484 -0.497 5.222 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HB3 . . . . . . . . . c30449_6cxr 1 . 14 . 1743 . 1 1 6 HIS HD1 H -4.072 -2.753 7.532 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HD1 . . . . . . . . . c30449_6cxr 1 . 14 . 1744 . 1 1 6 HIS HD2 H -5.470 1.155 7.363 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HD2 . . . . . . . . . c30449_6cxr 1 . 14 . 1745 . 1 1 6 HIS HE1 H -4.607 -2.126 9.907 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HE1 . . . . . . . . . c30449_6cxr 1 . 14 . 1746 . 1 1 6 HIS HE2 H -5.362 0.274 9.789 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HE2 . . . . . . . . . c30449_6cxr 1 . 14 . 1747 . 1 1 6 HIS N N -5.123 -0.285 3.196 . . . 1.0 . . . . . . . . . . . . A . 6 HIS N . . . . . . . . . c30449_6cxr 1 . 14 . 1748 . 1 1 6 HIS ND1 N -4.423 -1.875 7.789 . . . 1.0 . . . . . . . . . . . . A . 6 HIS ND1 . . . . . . . . . c30449_6cxr 1 . 14 . 1749 . 1 1 6 HIS NE2 N -5.162 -0.271 8.999 . . . 1.0 . . . . . . . . . . . . A . 6 HIS NE2 . . . . . . . . . c30449_6cxr 1 . 14 . 1750 . 1 1 6 HIS O O -4.683 1.893 5.302 . . . 1.0 . . . . . . . . . . . . A . 6 HIS O . . . . . . . . . c30449_6cxr 1 . 15 . 1751 . 1 1 1 HIS C C 4.619 0.733 -3.176 . . . 1.0 . . . . . . . . . . . . A . 1 HIS C . . . . . . . . . c30449_6cxr 1 . 15 . 1752 . 1 1 1 HIS CA C 4.934 1.414 -4.505 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CA . . . . . . . . . c30449_6cxr 1 . 15 . 1753 . 1 1 1 HIS CB C 5.353 0.372 -5.545 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CB . . . . . . . . . c30449_6cxr 1 . 15 . 1754 . 1 1 1 HIS CD2 C 6.648 0.990 -7.705 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CD2 . . . . . . . . . c30449_6cxr 1 . 15 . 1755 . 1 1 1 HIS CE1 C 5.008 1.952 -8.798 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CE1 . . . . . . . . . c30449_6cxr 1 . 15 . 1756 . 1 1 1 HIS CG C 5.549 0.940 -6.916 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CG . . . . . . . . . c30449_6cxr 1 . 15 . 1757 . 1 1 1 HIS H1 H 6.351 2.670 -5.309 . . . 1.0 . . . . . . . . . . . . A . 1 HIS H1 . . . . . . . . . c30449_6cxr 1 . 15 . 1758 . 1 1 1 HIS H2 H 6.801 1.945 -3.821 . . . 1.0 . . . . . . . . . . . . A . 1 HIS H2 . . . . . . . . . c30449_6cxr 1 . 15 . 1759 . 1 1 1 HIS H3 H 5.656 3.224 -3.844 . . . 1.0 . . . . . . . . . . . . A . 1 HIS H3 . . . . . . . . . c30449_6cxr 1 . 15 . 1760 . 1 1 1 HIS HA H 4.053 1.930 -4.854 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HA . . . . . . . . . c30449_6cxr 1 . 15 . 1761 . 1 1 1 HIS HB2 H 6.284 -0.080 -5.237 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HB2 . . . . . . . . . c30449_6cxr 1 . 15 . 1762 . 1 1 1 HIS HB3 H 4.591 -0.391 -5.606 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HB3 . . . . . . . . . c30449_6cxr 1 . 15 . 1763 . 1 1 1 HIS HD1 H 3.616 1.674 -7.324 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HD1 . . . . . . . . . c30449_6cxr 1 . 15 . 1764 . 1 1 1 HIS HD2 H 7.628 0.603 -7.465 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HD2 . . . . . . . . . c30449_6cxr 1 . 15 . 1765 . 1 1 1 HIS HE1 H 4.444 2.462 -9.564 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HE1 . . . . . . . . . c30449_6cxr 1 . 15 . 1766 . 1 1 1 HIS HE2 H 6.854 1.734 -9.658 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HE2 . . . . . . . . . c30449_6cxr 1 . 15 . 1767 . 1 1 1 HIS N N 6.035 2.402 -4.356 . . . 1.0 . . . . . . . . . . . . A . 1 HIS N . . . . . . . . . c30449_6cxr 1 . 15 . 1768 . 1 1 1 HIS ND1 N 4.539 1.552 -7.629 . . . 1.0 . . . . . . . . . . . . A . 1 HIS ND1 . . . . . . . . . c30449_6cxr 1 . 15 . 1769 . 1 1 1 HIS NE2 N 6.285 1.623 -8.868 . . . 1.0 . . . . . . . . . . . . A . 1 HIS NE2 . . . . . . . . . c30449_6cxr 1 . 15 . 1770 . 1 1 1 HIS O O 4.361 -0.470 -3.129 . . . 1.0 . . . . . . . . . . . . A . 1 HIS O . . . . . . . . . c30449_6cxr 1 . 15 . 1771 . 1 1 2 ARG C C 2.981 1.423 -0.289 . . . 1.0 . . . . . . . . . . . . A . 2 ARG C . . . . . . . . . c30449_6cxr 1 . 15 . 1772 . 1 1 2 ARG CA C 4.359 0.982 -0.769 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CA . . . . . . . . . c30449_6cxr 1 . 15 . 1773 . 1 1 2 ARG CB C 5.430 1.436 0.224 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CB . . . . . . . . . c30449_6cxr 1 . 15 . 1774 . 1 1 2 ARG CD C 6.602 0.704 2.321 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CD . . . . . . . . . c30449_6cxr 1 . 15 . 1775 . 1 1 2 ARG CG C 5.265 0.835 1.609 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CG . . . . . . . . . c30449_6cxr 1 . 15 . 1776 . 1 1 2 ARG CZ C 6.402 2.108 4.337 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CZ . . . . . . . . . c30449_6cxr 1 . 15 . 1777 . 1 1 2 ARG H H 4.855 2.462 -2.199 . . . 1.0 . . . . . . . . . . . . A . 2 ARG H . . . . . . . . . c30449_6cxr 1 . 15 . 1778 . 1 1 2 ARG HA H 4.375 -0.095 -0.832 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HA . . . . . . . . . c30449_6cxr 1 . 15 . 1779 . 1 1 2 ARG HB2 H 6.400 1.153 -0.156 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB2 . . . . . . . . . c30449_6cxr 1 . 15 . 1780 . 1 1 2 ARG HB3 H 5.388 2.512 0.314 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB3 . . . . . . . . . c30449_6cxr 1 . 15 . 1781 . 1 1 2 ARG HD2 H 6.995 -0.285 2.141 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD2 . . . . . . . . . c30449_6cxr 1 . 15 . 1782 . 1 1 2 ARG HD3 H 7.283 1.440 1.919 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD3 . . . . . . . . . c30449_6cxr 1 . 15 . 1783 . 1 1 2 ARG HE H 6.449 0.113 4.332 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HE . . . . . . . . . c30449_6cxr 1 . 15 . 1784 . 1 1 2 ARG HG2 H 4.618 1.476 2.193 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG2 . . . . . . . . . c30449_6cxr 1 . 15 . 1785 . 1 1 2 ARG HG3 H 4.818 -0.148 1.514 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG3 . . . . . . . . . c30449_6cxr 1 . 15 . 1786 . 1 1 2 ARG HH11 H 6.524 3.145 2.605 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH11 . . . . . . . . . c30449_6cxr 1 . 15 . 1787 . 1 1 2 ARG HH12 H 6.381 4.107 4.037 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH12 . . . . . . . . . c30449_6cxr 1 . 15 . 1788 . 1 1 2 ARG HH21 H 6.261 1.377 6.216 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH21 . . . . . . . . . c30449_6cxr 1 . 15 . 1789 . 1 1 2 ARG HH22 H 6.231 3.104 6.087 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH22 . . . . . . . . . c30449_6cxr 1 . 15 . 1790 . 1 1 2 ARG N N 4.643 1.511 -2.098 . . . 1.0 . . . . . . . . . . . . A . 2 ARG N . . . . . . . . . c30449_6cxr 1 . 15 . 1791 . 1 1 2 ARG NE N 6.478 0.910 3.762 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NE . . . . . . . . . c30449_6cxr 1 . 15 . 1792 . 1 1 2 ARG NH1 N 6.439 3.210 3.599 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH1 . . . . . . . . . c30449_6cxr 1 . 15 . 1793 . 1 1 2 ARG NH2 N 6.289 2.204 5.655 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH2 . . . . . . . . . c30449_6cxr 1 . 15 . 1794 . 1 1 2 ARG O O 2.791 1.737 0.886 . . . 1.0 . . . . . . . . . . . . A . 2 ARG O . . . . . . . . . c30449_6cxr 1 . 15 . 1795 . 1 1 3 PHE C C -0.114 0.677 -0.288 . . . 1.0 . . . . . . . . . . . . A . 3 PHE C . . . . . . . . . c30449_6cxr 1 . 15 . 1796 . 1 1 3 PHE CA C 0.668 1.843 -0.886 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CA . . . . . . . . . c30449_6cxr 1 . 15 . 1797 . 1 1 3 PHE CB C -0.023 2.361 -2.147 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CB . . . . . . . . . c30449_6cxr 1 . 15 . 1798 . 1 1 3 PHE CD1 C -0.725 0.467 -3.645 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD1 . . . . . . . . . c30449_6cxr 1 . 15 . 1799 . 1 1 3 PHE CD2 C 1.230 1.704 -4.224 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD2 . . . . . . . . . c30449_6cxr 1 . 15 . 1800 . 1 1 3 PHE CE1 C -0.557 -0.329 -4.762 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE1 . . . . . . . . . c30449_6cxr 1 . 15 . 1801 . 1 1 3 PHE CE2 C 1.404 0.911 -5.342 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE2 . . . . . . . . . c30449_6cxr 1 . 15 . 1802 . 1 1 3 PHE CG C 0.165 1.491 -3.361 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CG . . . . . . . . . c30449_6cxr 1 . 15 . 1803 . 1 1 3 PHE CZ C 0.509 -0.107 -5.612 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CZ . . . . . . . . . c30449_6cxr 1 . 15 . 1804 . 1 1 3 PHE H H 2.227 1.188 -2.123 . . . 1.0 . . . . . . . . . . . . A . 3 PHE H . . . . . . . . . c30449_6cxr 1 . 15 . 1805 . 1 1 3 PHE HA H 0.719 2.640 -0.160 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HA . . . . . . . . . c30449_6cxr 1 . 15 . 1806 . 1 1 3 PHE HB2 H -1.078 2.432 -1.958 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB2 . . . . . . . . . c30449_6cxr 1 . 15 . 1807 . 1 1 3 PHE HB3 H 0.373 3.342 -2.380 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB3 . . . . . . . . . c30449_6cxr 1 . 15 . 1808 . 1 1 3 PHE HD1 H -1.559 0.292 -2.982 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD1 . . . . . . . . . c30449_6cxr 1 . 15 . 1809 . 1 1 3 PHE HD2 H 1.930 2.499 -4.014 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD2 . . . . . . . . . c30449_6cxr 1 . 15 . 1810 . 1 1 3 PHE HE1 H -1.257 -1.123 -4.971 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE1 . . . . . . . . . c30449_6cxr 1 . 15 . 1811 . 1 1 3 PHE HE2 H 2.238 1.086 -6.005 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE2 . . . . . . . . . c30449_6cxr 1 . 15 . 1812 . 1 1 3 PHE HZ H 0.643 -0.727 -6.486 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HZ . . . . . . . . . c30449_6cxr 1 . 15 . 1813 . 1 1 3 PHE N N 2.021 1.444 -1.207 . . . 1.0 . . . . . . . . . . . . A . 3 PHE N . . . . . . . . . c30449_6cxr 1 . 15 . 1814 . 1 1 3 PHE O O -0.736 -0.104 -1.006 . . . 1.0 . . . . . . . . . . . . A . 3 PHE O . . . . . . . . . c30449_6cxr 1 . 15 . 1815 . 1 1 4 LEU C C -2.264 -0.334 1.697 . . . 1.0 . . . . . . . . . . . . A . 4 LEU C . . . . . . . . . c30449_6cxr 1 . 15 . 1816 . 1 1 4 LEU CA C -0.759 -0.511 1.732 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CA . . . . . . . . . c30449_6cxr 1 . 15 . 1817 . 1 1 4 LEU CB C -0.314 -0.570 3.187 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CB . . . . . . . . . c30449_6cxr 1 . 15 . 1818 . 1 1 4 LEU CD1 C 1.940 0.390 3.681 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD1 . . . . . . . . . c30449_6cxr 1 . 15 . 1819 . 1 1 4 LEU CD2 C 1.366 -1.908 4.485 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD2 . . . . . . . . . c30449_6cxr 1 . 15 . 1820 . 1 1 4 LEU CG C 1.167 -0.881 3.381 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CG . . . . . . . . . c30449_6cxr 1 . 15 . 1821 . 1 1 4 LEU H H 0.455 1.202 1.553 . . . 1.0 . . . . . . . . . . . . A . 4 LEU H . . . . . . . . . c30449_6cxr 1 . 15 . 1822 . 1 1 4 LEU HA H -0.498 -1.438 1.254 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HA . . . . . . . . . c30449_6cxr 1 . 15 . 1823 . 1 1 4 LEU HB2 H -0.530 0.385 3.643 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB2 . . . . . . . . . c30449_6cxr 1 . 15 . 1824 . 1 1 4 LEU HB3 H -0.898 -1.330 3.691 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB3 . . . . . . . . . c30449_6cxr 1 . 15 . 1825 . 1 1 4 LEU HD11 H 1.898 1.042 2.822 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD11 . . . . . . . . . c30449_6cxr 1 . 15 . 1826 . 1 1 4 LEU HD12 H 2.969 0.143 3.896 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD12 . . . . . . . . . c30449_6cxr 1 . 15 . 1827 . 1 1 4 LEU HD13 H 1.500 0.886 4.533 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD13 . . . . . . . . . c30449_6cxr 1 . 15 . 1828 . 1 1 4 LEU HD21 H 0.594 -1.789 5.231 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD21 . . . . . . . . . c30449_6cxr 1 . 15 . 1829 . 1 1 4 LEU HD22 H 2.334 -1.763 4.942 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD22 . . . . . . . . . c30449_6cxr 1 . 15 . 1830 . 1 1 4 LEU HD23 H 1.311 -2.902 4.065 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD23 . . . . . . . . . c30449_6cxr 1 . 15 . 1831 . 1 1 4 LEU HG H 1.558 -1.291 2.462 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HG . . . . . . . . . c30449_6cxr 1 . 15 . 1832 . 1 1 4 LEU N N -0.067 0.560 1.034 . . . 1.0 . . . . . . . . . . . . A . 4 LEU N . . . . . . . . . c30449_6cxr 1 . 15 . 1833 . 1 1 4 LEU O O -2.803 0.554 2.358 . . . 1.0 . . . . . . . . . . . . A . 4 LEU O . . . . . . . . . c30449_6cxr 1 . 15 . 1834 . 1 1 5 ARG C C -4.923 -1.539 2.283 . . . 1.0 . . . . . . . . . . . . A . 5 ARG C . . . . . . . . . c30449_6cxr 1 . 15 . 1835 . 1 1 5 ARG CA C -4.390 -1.135 0.921 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CA . . . . . . . . . c30449_6cxr 1 . 15 . 1836 . 1 1 5 ARG CB C -4.918 -2.045 -0.167 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CB . . . . . . . . . c30449_6cxr 1 . 15 . 1837 . 1 1 5 ARG CD C -3.839 -1.017 -2.165 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CD . . . . . . . . . c30449_6cxr 1 . 15 . 1838 . 1 1 5 ARG CG C -5.150 -1.306 -1.453 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CG . . . . . . . . . c30449_6cxr 1 . 15 . 1839 . 1 1 5 ARG CZ C -4.500 0.430 -4.047 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CZ . . . . . . . . . c30449_6cxr 1 . 15 . 1840 . 1 1 5 ARG H H -2.486 -1.912 0.485 . . . 1.0 . . . . . . . . . . . . A . 5 ARG H . . . . . . . . . c30449_6cxr 1 . 15 . 1841 . 1 1 5 ARG HA H -4.679 -0.122 0.701 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HA . . . . . . . . . c30449_6cxr 1 . 15 . 1842 . 1 1 5 ARG HB2 H -4.201 -2.821 -0.355 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HB2 . . . . . . . . . c30449_6cxr 1 . 15 . 1843 . 1 1 5 ARG HB3 H -5.850 -2.481 0.153 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HB3 . . . . . . . . . c30449_6cxr 1 . 15 . 1844 . 1 1 5 ARG HD2 H -3.046 -0.980 -1.427 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HD2 . . . . . . . . . c30449_6cxr 1 . 15 . 1845 . 1 1 5 ARG HD3 H -3.642 -1.813 -2.867 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HD3 . . . . . . . . . c30449_6cxr 1 . 15 . 1846 . 1 1 5 ARG HE H -3.417 1.017 -2.477 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HE . . . . . . . . . c30449_6cxr 1 . 15 . 1847 . 1 1 5 ARG HG2 H -5.778 -1.894 -2.086 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HG2 . . . . . . . . . c30449_6cxr 1 . 15 . 1848 . 1 1 5 ARG HG3 H -5.633 -0.379 -1.225 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HG3 . . . . . . . . . c30449_6cxr 1 . 15 . 1849 . 1 1 5 ARG HH11 H -5.150 -1.480 -4.192 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH11 . . . . . . . . . c30449_6cxr 1 . 15 . 1850 . 1 1 5 ARG HH12 H -5.600 -0.441 -5.502 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH12 . . . . . . . . . c30449_6cxr 1 . 15 . 1851 . 1 1 5 ARG HH21 H -4.009 2.385 -4.199 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH21 . . . . . . . . . c30449_6cxr 1 . 15 . 1852 . 1 1 5 ARG HH22 H -4.953 1.753 -5.507 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH22 . . . . . . . . . c30449_6cxr 1 . 15 . 1853 . 1 1 5 ARG N N -2.951 -1.201 0.968 . . . 1.0 . . . . . . . . . . . . A . 5 ARG N . . . . . . . . . c30449_6cxr 1 . 15 . 1854 . 1 1 5 ARG NE N -3.878 0.254 -2.883 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NE . . . . . . . . . c30449_6cxr 1 . 15 . 1855 . 1 1 5 ARG NH1 N -5.135 -0.580 -4.628 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NH1 . . . . . . . . . c30449_6cxr 1 . 15 . 1856 . 1 1 5 ARG NH2 N -4.486 1.621 -4.632 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NH2 . . . . . . . . . c30449_6cxr 1 . 15 . 1857 . 1 1 5 ARG O O -5.080 -2.724 2.577 . . . 1.0 . . . . . . . . . . . . A . 5 ARG O . . . . . . . . . c30449_6cxr 1 . 15 . 1858 . 1 1 6 HIS C C -5.903 0.520 5.200 . . . 1.0 . . . . . . . . . . . . A . 6 HIS C . . . . . . . . . c30449_6cxr 1 . 15 . 1859 . 1 1 6 HIS CA C -5.610 -0.794 4.484 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CA . . . . . . . . . c30449_6cxr 1 . 15 . 1860 . 1 1 6 HIS CB C -4.533 -1.594 5.233 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CB . . . . . . . . . c30449_6cxr 1 . 15 . 1861 . 1 1 6 HIS CD2 C -5.410 -1.063 7.627 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CD2 . . . . . . . . . c30449_6cxr 1 . 15 . 1862 . 1 1 6 HIS CE1 C -4.932 -2.984 8.569 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CE1 . . . . . . . . . c30449_6cxr 1 . 15 . 1863 . 1 1 6 HIS CG C -4.841 -1.849 6.680 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CG . . . . . . . . . c30449_6cxr 1 . 15 . 1864 . 1 1 6 HIS H H -4.971 0.375 2.846 . . . 1.0 . . . . . . . . . . . . A . 6 HIS H . . . . . . . . . c30449_6cxr 1 . 15 . 1865 . 1 1 6 HIS HA H -6.515 -1.379 4.434 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HA . . . . . . . . . c30449_6cxr 1 . 15 . 1866 . 1 1 6 HIS HB2 H -4.422 -2.558 4.752 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HB2 . . . . . . . . . c30449_6cxr 1 . 15 . 1867 . 1 1 6 HIS HB3 H -3.584 -1.058 5.176 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HB3 . . . . . . . . . c30449_6cxr 1 . 15 . 1868 . 1 1 6 HIS HD1 H -4.135 -3.824 6.883 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HD1 . . . . . . . . . c30449_6cxr 1 . 15 . 1869 . 1 1 6 HIS HD2 H -5.764 -0.052 7.494 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HD2 . . . . . . . . . c30449_6cxr 1 . 15 . 1870 . 1 1 6 HIS HE1 H -4.830 -3.774 9.298 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HE1 . . . . . . . . . c30449_6cxr 1 . 15 . 1871 . 1 1 6 HIS HE2 H -5.729 -1.450 9.666 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HE2 . . . . . . . . . c30449_6cxr 1 . 15 . 1872 . 1 1 6 HIS N N -5.151 -0.545 3.129 . . . 1.0 . . . . . . . . . . . . A . 6 HIS N . . . . . . . . . c30449_6cxr 1 . 15 . 1873 . 1 1 6 HIS ND1 N -4.554 -3.045 7.305 . . . 1.0 . . . . . . . . . . . . A . 6 HIS ND1 . . . . . . . . . c30449_6cxr 1 . 15 . 1874 . 1 1 6 HIS NE2 N -5.453 -1.792 8.790 . . . 1.0 . . . . . . . . . . . . A . 6 HIS NE2 . . . . . . . . . c30449_6cxr 1 . 15 . 1875 . 1 1 6 HIS O O -7.096 0.849 5.368 . . . 1.0 . . . . . . . . . . . . A . 6 HIS O . . . . . . . . . c30449_6cxr 1 . 16 . 1876 . 1 1 1 HIS C C 5.201 1.162 -3.104 . . . 1.0 . . . . . . . . . . . . A . 1 HIS C . . . . . . . . . c30449_6cxr 1 . 16 . 1877 . 1 1 1 HIS CA C 5.496 2.042 -4.314 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CA . . . . . . . . . c30449_6cxr 1 . 16 . 1878 . 1 1 1 HIS CB C 4.364 1.934 -5.338 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CB . . . . . . . . . c30449_6cxr 1 . 16 . 1879 . 1 1 1 HIS CD2 C 3.658 3.555 -7.237 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CD2 . . . . . . . . . c30449_6cxr 1 . 16 . 1880 . 1 1 1 HIS CE1 C 3.610 5.411 -6.070 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CE1 . . . . . . . . . c30449_6cxr 1 . 16 . 1881 . 1 1 1 HIS CG C 3.999 3.244 -5.963 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CG . . . . . . . . . c30449_6cxr 1 . 16 . 1882 . 1 1 1 HIS H1 H 7.065 2.426 -5.588 . . . 1.0 . . . . . . . . . . . . A . 1 HIS H1 . . . . . . . . . c30449_6cxr 1 . 16 . 1883 . 1 1 1 HIS H2 H 6.585 0.780 -5.520 . . . 1.0 . . . . . . . . . . . . A . 1 HIS H2 . . . . . . . . . c30449_6cxr 1 . 16 . 1884 . 1 1 1 HIS H3 H 7.470 1.473 -4.223 . . . 1.0 . . . . . . . . . . . . A . 1 HIS H3 . . . . . . . . . c30449_6cxr 1 . 16 . 1885 . 1 1 1 HIS HA H 5.583 3.068 -3.989 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HA . . . . . . . . . c30449_6cxr 1 . 16 . 1886 . 1 1 1 HIS HB2 H 4.665 1.262 -6.127 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HB2 . . . . . . . . . c30449_6cxr 1 . 16 . 1887 . 1 1 1 HIS HB3 H 3.484 1.539 -4.852 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HB3 . . . . . . . . . c30449_6cxr 1 . 16 . 1888 . 1 1 1 HIS HD1 H 4.155 4.534 -4.304 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HD1 . . . . . . . . . c30449_6cxr 1 . 16 . 1889 . 1 1 1 HIS HD2 H 3.585 2.867 -8.067 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HD2 . . . . . . . . . c30449_6cxr 1 . 16 . 1890 . 1 1 1 HIS HE1 H 3.499 6.449 -5.795 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HE1 . . . . . . . . . c30449_6cxr 1 . 16 . 1891 . 1 1 1 HIS HE2 H 3.080 5.403 -8.048 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HE2 . . . . . . . . . c30449_6cxr 1 . 16 . 1892 . 1 1 1 HIS N N 6.768 1.644 -4.970 . . . 1.0 . . . . . . . . . . . . A . 1 HIS N . . . . . . . . . c30449_6cxr 1 . 16 . 1893 . 1 1 1 HIS ND1 N 3.959 4.429 -5.258 . . . 1.0 . . . . . . . . . . . . A . 1 HIS ND1 . . . . . . . . . c30449_6cxr 1 . 16 . 1894 . 1 1 1 HIS NE2 N 3.422 4.907 -7.276 . . . 1.0 . . . . . . . . . . . . A . 1 HIS NE2 . . . . . . . . . c30449_6cxr 1 . 16 . 1895 . 1 1 1 HIS O O 5.598 -0.002 -3.059 . . . 1.0 . . . . . . . . . . . . A . 1 HIS O . . . . . . . . . c30449_6cxr 1 . 16 . 1896 . 1 1 2 ARG C C 2.790 1.414 -0.388 . . . 1.0 . . . . . . . . . . . . A . 2 ARG C . . . . . . . . . c30449_6cxr 1 . 16 . 1897 . 1 1 2 ARG CA C 4.161 0.995 -0.911 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CA . . . . . . . . . c30449_6cxr 1 . 16 . 1898 . 1 1 2 ARG CB C 5.224 1.227 0.165 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CB . . . . . . . . . c30449_6cxr 1 . 16 . 1899 . 1 1 2 ARG CD C 6.273 0.178 2.190 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CD . . . . . . . . . c30449_6cxr 1 . 16 . 1900 . 1 1 2 ARG CG C 4.977 0.444 1.443 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CG . . . . . . . . . c30449_6cxr 1 . 16 . 1901 . 1 1 2 ARG CZ C 7.093 0.331 4.510 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CZ . . . . . . . . . c30449_6cxr 1 . 16 . 1902 . 1 1 2 ARG H H 4.218 2.660 -2.216 . . . 1.0 . . . . . . . . . . . . A . 2 ARG H . . . . . . . . . c30449_6cxr 1 . 16 . 1903 . 1 1 2 ARG HA H 4.133 -0.056 -1.154 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HA . . . . . . . . . c30449_6cxr 1 . 16 . 1904 . 1 1 2 ARG HB2 H 6.187 0.937 -0.229 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB2 . . . . . . . . . c30449_6cxr 1 . 16 . 1905 . 1 1 2 ARG HB3 H 5.247 2.278 0.410 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB3 . . . . . . . . . c30449_6cxr 1 . 16 . 1906 . 1 1 2 ARG HD2 H 6.637 -0.801 1.917 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD2 . . . . . . . . . c30449_6cxr 1 . 16 . 1907 . 1 1 2 ARG HD3 H 6.999 0.924 1.902 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD3 . . . . . . . . . c30449_6cxr 1 . 16 . 1908 . 1 1 2 ARG HE H 5.174 0.181 3.982 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HE . . . . . . . . . c30449_6cxr 1 . 16 . 1909 . 1 1 2 ARG HG2 H 4.316 1.016 2.081 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG2 . . . . . . . . . c30449_6cxr 1 . 16 . 1910 . 1 1 2 ARG HG3 H 4.515 -0.504 1.191 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG3 . . . . . . . . . c30449_6cxr 1 . 16 . 1911 . 1 1 2 ARG HH11 H 8.546 0.380 3.103 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH11 . . . . . . . . . c30449_6cxr 1 . 16 . 1912 . 1 1 2 ARG HH12 H 9.096 0.480 4.742 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH12 . . . . . . . . . c30449_6cxr 1 . 16 . 1913 . 1 1 2 ARG HH21 H 5.896 0.312 6.138 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH21 . . . . . . . . . c30449_6cxr 1 . 16 . 1914 . 1 1 2 ARG HH22 H 7.593 0.440 6.465 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH22 . . . . . . . . . c30449_6cxr 1 . 16 . 1915 . 1 1 2 ARG N N 4.505 1.727 -2.123 . . . 1.0 . . . . . . . . . . . . A . 2 ARG N . . . . . . . . . c30449_6cxr 1 . 16 . 1916 . 1 1 2 ARG NE N 6.091 0.228 3.639 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NE . . . . . . . . . c30449_6cxr 1 . 16 . 1917 . 1 1 2 ARG NH1 N 8.348 0.403 4.083 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH1 . . . . . . . . . c30449_6cxr 1 . 16 . 1918 . 1 1 2 ARG NH2 N 6.840 0.364 5.811 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH2 . . . . . . . . . c30449_6cxr 1 . 16 . 1919 . 1 1 2 ARG O O 2.630 1.708 0.797 . . . 1.0 . . . . . . . . . . . . A . 2 ARG O . . . . . . . . . c30449_6cxr 1 . 16 . 1920 . 1 1 3 PHE C C -0.296 0.642 -0.301 . . . 1.0 . . . . . . . . . . . . A . 3 PHE C . . . . . . . . . c30449_6cxr 1 . 16 . 1921 . 1 1 3 PHE CA C 0.457 1.823 -0.905 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CA . . . . . . . . . c30449_6cxr 1 . 16 . 1922 . 1 1 3 PHE CB C -0.279 2.357 -2.134 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CB . . . . . . . . . c30449_6cxr 1 . 16 . 1923 . 1 1 3 PHE CD1 C -0.980 0.470 -3.643 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD1 . . . . . . . . . c30449_6cxr 1 . 16 . 1924 . 1 1 3 PHE CD2 C 0.905 1.786 -4.277 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD2 . . . . . . . . . c30449_6cxr 1 . 16 . 1925 . 1 1 3 PHE CE1 C -0.833 -0.295 -4.785 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE1 . . . . . . . . . c30449_6cxr 1 . 16 . 1926 . 1 1 3 PHE CE2 C 1.057 1.023 -5.419 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE2 . . . . . . . . . c30449_6cxr 1 . 16 . 1927 . 1 1 3 PHE CG C -0.114 1.519 -3.375 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CG . . . . . . . . . c30449_6cxr 1 . 16 . 1928 . 1 1 3 PHE CZ C 0.187 -0.019 -5.674 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CZ . . . . . . . . . c30449_6cxr 1 . 16 . 1929 . 1 1 3 PHE H H 1.981 1.205 -2.204 . . . 1.0 . . . . . . . . . . . . A . 3 PHE H . . . . . . . . . c30449_6cxr 1 . 16 . 1930 . 1 1 3 PHE HA H 0.526 2.609 -0.168 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HA . . . . . . . . . c30449_6cxr 1 . 16 . 1931 . 1 1 3 PHE HB2 H -1.329 2.407 -1.913 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB2 . . . . . . . . . c30449_6cxr 1 . 16 . 1932 . 1 1 3 PHE HB3 H 0.094 3.350 -2.356 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB3 . . . . . . . . . c30449_6cxr 1 . 16 . 1933 . 1 1 3 PHE HD1 H -1.778 0.253 -2.951 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD1 . . . . . . . . . c30449_6cxr 1 . 16 . 1934 . 1 1 3 PHE HD2 H 1.587 2.600 -4.080 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD2 . . . . . . . . . c30449_6cxr 1 . 16 . 1935 . 1 1 3 PHE HE1 H -1.515 -1.109 -4.981 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE1 . . . . . . . . . c30449_6cxr 1 . 16 . 1936 . 1 1 3 PHE HE2 H 1.856 1.241 -6.113 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE2 . . . . . . . . . c30449_6cxr 1 . 16 . 1937 . 1 1 3 PHE HZ H 0.303 -0.616 -6.566 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HZ . . . . . . . . . c30449_6cxr 1 . 16 . 1938 . 1 1 3 PHE N N 1.802 1.441 -1.277 . . . 1.0 . . . . . . . . . . . . A . 3 PHE N . . . . . . . . . c30449_6cxr 1 . 16 . 1939 . 1 1 3 PHE O O -0.937 -0.132 -1.009 . . . 1.0 . . . . . . . . . . . . A . 3 PHE O . . . . . . . . . c30449_6cxr 1 . 16 . 1940 . 1 1 4 LEU C C -2.371 -0.410 1.744 . . . 1.0 . . . . . . . . . . . . A . 4 LEU C . . . . . . . . . c30449_6cxr 1 . 16 . 1941 . 1 1 4 LEU CA C -0.865 -0.581 1.723 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CA . . . . . . . . . c30449_6cxr 1 . 16 . 1942 . 1 1 4 LEU CB C -0.364 -0.661 3.159 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CB . . . . . . . . . c30449_6cxr 1 . 16 . 1943 . 1 1 4 LEU CD1 C 1.911 0.280 3.586 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD1 . . . . . . . . . c30449_6cxr 1 . 16 . 1944 . 1 1 4 LEU CD2 C 1.360 -2.034 4.358 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD2 . . . . . . . . . c30449_6cxr 1 . 16 . 1945 . 1 1 4 LEU CG C 1.122 -0.980 3.288 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CG . . . . . . . . . c30449_6cxr 1 . 16 . 1946 . 1 1 4 LEU H H 0.330 1.143 1.529 . . . 1.0 . . . . . . . . . . . . A . 4 LEU H . . . . . . . . . c30449_6cxr 1 . 16 . 1947 . 1 1 4 LEU HA H -0.618 -1.498 1.220 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HA . . . . . . . . . c30449_6cxr 1 . 16 . 1948 . 1 1 4 LEU HB2 H -0.558 0.290 3.636 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB2 . . . . . . . . . c30449_6cxr 1 . 16 . 1949 . 1 1 4 LEU HB3 H -0.932 -1.424 3.676 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB3 . . . . . . . . . c30449_6cxr 1 . 16 . 1950 . 1 1 4 LEU HD11 H 1.797 0.973 2.766 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD11 . . . . . . . . . c30449_6cxr 1 . 16 . 1951 . 1 1 4 LEU HD12 H 2.955 0.031 3.705 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD12 . . . . . . . . . c30449_6cxr 1 . 16 . 1952 . 1 1 4 LEU HD13 H 1.541 0.731 4.494 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD13 . . . . . . . . . c30449_6cxr 1 . 16 . 1953 . 1 1 4 LEU HD21 H 2.419 -2.115 4.554 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD21 . . . . . . . . . c30449_6cxr 1 . 16 . 1954 . 1 1 4 LEU HD22 H 0.983 -2.987 4.016 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD22 . . . . . . . . . c30449_6cxr 1 . 16 . 1955 . 1 1 4 LEU HD23 H 0.847 -1.749 5.265 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD23 . . . . . . . . . c30449_6cxr 1 . 16 . 1956 . 1 1 4 LEU HG H 1.473 -1.370 2.345 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HG . . . . . . . . . c30449_6cxr 1 . 16 . 1957 . 1 1 4 LEU N N -0.205 0.505 1.018 . . . 1.0 . . . . . . . . . . . . A . 4 LEU N . . . . . . . . . c30449_6cxr 1 . 16 . 1958 . 1 1 4 LEU O O -2.890 0.468 2.434 . . . 1.0 . . . . . . . . . . . . A . 4 LEU O . . . . . . . . . c30449_6cxr 1 . 16 . 1959 . 1 1 5 ARG C C -5.006 -1.593 2.415 . . . 1.0 . . . . . . . . . . . . A . 5 ARG C . . . . . . . . . c30449_6cxr 1 . 16 . 1960 . 1 1 5 ARG CA C -4.520 -1.210 1.030 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CA . . . . . . . . . c30449_6cxr 1 . 16 . 1961 . 1 1 5 ARG CB C -5.079 -2.142 -0.025 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CB . . . . . . . . . c30449_6cxr 1 . 16 . 1962 . 1 1 5 ARG CD C -4.001 -1.269 -2.092 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CD . . . . . . . . . c30449_6cxr 1 . 16 . 1963 . 1 1 5 ARG CG C -5.305 -1.438 -1.332 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CG . . . . . . . . . c30449_6cxr 1 . 16 . 1964 . 1 1 5 ARG CZ C -4.450 -0.220 -4.281 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CZ . . . . . . . . . c30449_6cxr 1 . 16 . 1965 . 1 1 5 ARG H H -2.631 -1.974 0.520 . . . 1.0 . . . . . . . . . . . . A . 5 ARG H . . . . . . . . . c30449_6cxr 1 . 16 . 1966 . 1 1 5 ARG HA H -4.819 -0.201 0.802 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HA . . . . . . . . . c30449_6cxr 1 . 16 . 1967 . 1 1 5 ARG HB2 H -4.379 -2.939 -0.193 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HB2 . . . . . . . . . c30449_6cxr 1 . 16 . 1968 . 1 1 5 ARG HB3 H -6.015 -2.547 0.318 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HB3 . . . . . . . . . c30449_6cxr 1 . 16 . 1969 . 1 1 5 ARG HD2 H -3.205 -1.107 -1.375 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HD2 . . . . . . . . . c30449_6cxr 1 . 16 . 1970 . 1 1 5 ARG HD3 H -3.802 -2.172 -2.649 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HD3 . . . . . . . . . c30449_6cxr 1 . 16 . 1971 . 1 1 5 ARG HE H -3.753 0.735 -2.673 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HE . . . . . . . . . c30449_6cxr 1 . 16 . 1972 . 1 1 5 ARG HG2 H -5.993 -2.006 -1.922 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HG2 . . . . . . . . . c30449_6cxr 1 . 16 . 1973 . 1 1 5 ARG HG3 H -5.715 -0.472 -1.127 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HG3 . . . . . . . . . c30449_6cxr 1 . 16 . 1974 . 1 1 5 ARG HH11 H -4.879 -2.197 -4.209 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH11 . . . . . . . . . c30449_6cxr 1 . 16 . 1975 . 1 1 5 ARG HH12 H -5.166 -1.430 -5.734 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH12 . . . . . . . . . c30449_6cxr 1 . 16 . 1976 . 1 1 5 ARG HH21 H -4.133 1.736 -4.677 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH21 . . . . . . . . . c30449_6cxr 1 . 16 . 1977 . 1 1 5 ARG HH22 H -4.744 0.801 -6.000 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH22 . . . . . . . . . c30449_6cxr 1 . 16 . 1978 . 1 1 5 ARG N N -3.080 -1.272 1.028 . . . 1.0 . . . . . . . . . . . . A . 5 ARG N . . . . . . . . . c30449_6cxr 1 . 16 . 1979 . 1 1 5 ARG NE N -4.045 -0.136 -3.014 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NE . . . . . . . . . c30449_6cxr 1 . 16 . 1980 . 1 1 5 ARG NH1 N -4.866 -1.378 -4.781 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NH1 . . . . . . . . . c30449_6cxr 1 . 16 . 1981 . 1 1 5 ARG NH2 N -4.442 0.861 -5.049 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NH2 . . . . . . . . . c30449_6cxr 1 . 16 . 1982 . 1 1 5 ARG O O -5.151 -2.773 2.734 . . . 1.0 . . . . . . . . . . . . A . 5 ARG O . . . . . . . . . c30449_6cxr 1 . 16 . 1983 . 1 1 6 HIS C C -5.877 0.516 5.329 . . . 1.0 . . . . . . . . . . . . A . 6 HIS C . . . . . . . . . c30449_6cxr 1 . 16 . 1984 . 1 1 6 HIS CA C -5.622 -0.812 4.624 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CA . . . . . . . . . c30449_6cxr 1 . 16 . 1985 . 1 1 6 HIS CB C -4.527 -1.612 5.348 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CB . . . . . . . . . c30449_6cxr 1 . 16 . 1986 . 1 1 6 HIS CD2 C -5.319 -1.032 7.762 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CD2 . . . . . . . . . c30449_6cxr 1 . 16 . 1987 . 1 1 6 HIS CE1 C -4.808 -2.935 8.723 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CE1 . . . . . . . . . c30449_6cxr 1 . 16 . 1988 . 1 1 6 HIS CG C -4.783 -1.837 6.810 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CG . . . . . . . . . c30449_6cxr 1 . 16 . 1989 . 1 1 6 HIS H H -5.040 0.330 2.947 . . . 1.0 . . . . . . . . . . . . A . 6 HIS H . . . . . . . . . c30449_6cxr 1 . 16 . 1990 . 1 1 6 HIS HA H -6.534 -1.388 4.613 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HA . . . . . . . . . c30449_6cxr 1 . 16 . 1991 . 1 1 6 HIS HB2 H -4.447 -2.586 4.880 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HB2 . . . . . . . . . c30449_6cxr 1 . 16 . 1992 . 1 1 6 HIS HB3 H -3.574 -1.090 5.244 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HB3 . . . . . . . . . c30449_6cxr 1 . 16 . 1993 . 1 1 6 HIS HD1 H -4.070 -3.809 7.028 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HD1 . . . . . . . . . c30449_6cxr 1 . 16 . 1994 . 1 1 6 HIS HD2 H -5.677 -0.023 7.622 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HD2 . . . . . . . . . c30449_6cxr 1 . 16 . 1995 . 1 1 6 HIS HE1 H -4.682 -3.711 9.463 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HE1 . . . . . . . . . c30449_6cxr 1 . 16 . 1996 . 1 1 6 HIS HE2 H -5.581 -1.385 9.815 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HE2 . . . . . . . . . c30449_6cxr 1 . 16 . 1997 . 1 1 6 HIS N N -5.208 -0.586 3.251 . . . 1.0 . . . . . . . . . . . . A . 6 HIS N . . . . . . . . . c30449_6cxr 1 . 16 . 1998 . 1 1 6 HIS ND1 N -4.474 -3.021 7.448 . . . 1.0 . . . . . . . . . . . . A . 6 HIS ND1 . . . . . . . . . c30449_6cxr 1 . 16 . 1999 . 1 1 6 HIS NE2 N -5.322 -1.739 8.939 . . . 1.0 . . . . . . . . . . . . A . 6 HIS NE2 . . . . . . . . . c30449_6cxr 1 . 16 . 2000 . 1 1 6 HIS O O -4.987 1.390 5.281 . . . 1.0 . . . . . . . . . . . . A . 6 HIS O . . . . . . . . . c30449_6cxr 1 . 17 . 2001 . 1 1 1 HIS C C 4.668 2.163 -2.678 . . . 1.0 . . . . . . . . . . . . A . 1 HIS C . . . . . . . . . c30449_6cxr 1 . 17 . 2002 . 1 1 1 HIS CA C 5.008 2.558 -4.113 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CA . . . . . . . . . c30449_6cxr 1 . 17 . 2003 . 1 1 1 HIS CB C 4.238 1.683 -5.106 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CB . . . . . . . . . c30449_6cxr 1 . 17 . 2004 . 1 1 1 HIS CD2 C 3.076 2.193 -7.369 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CD2 . . . . . . . . . c30449_6cxr 1 . 17 . 2005 . 1 1 1 HIS CE1 C 2.215 4.143 -6.855 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CE1 . . . . . . . . . c30449_6cxr 1 . 17 . 2006 . 1 1 1 HIS CG C 3.426 2.468 -6.090 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CG . . . . . . . . . c30449_6cxr 1 . 17 . 2007 . 1 1 1 HIS H1 H 6.976 2.775 -3.555 . . . 1.0 . . . . . . . . . . . . A . 1 HIS H1 . . . . . . . . . c30449_6cxr 1 . 17 . 2008 . 1 1 1 HIS H2 H 6.686 2.950 -5.238 . . . 1.0 . . . . . . . . . . . . A . 1 HIS H2 . . . . . . . . . c30449_6cxr 1 . 17 . 2009 . 1 1 1 HIS H3 H 6.654 1.393 -4.516 . . . 1.0 . . . . . . . . . . . . A . 1 HIS H3 . . . . . . . . . c30449_6cxr 1 . 17 . 2010 . 1 1 1 HIS HA H 4.738 3.592 -4.267 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HA . . . . . . . . . c30449_6cxr 1 . 17 . 2011 . 1 1 1 HIS HB2 H 4.940 1.080 -5.662 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HB2 . . . . . . . . . c30449_6cxr 1 . 17 . 2012 . 1 1 1 HIS HB3 H 3.567 1.035 -4.561 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HB3 . . . . . . . . . c30449_6cxr 1 . 17 . 2013 . 1 1 1 HIS HD1 H 2.946 4.170 -4.944 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HD1 . . . . . . . . . c30449_6cxr 1 . 17 . 2014 . 1 1 1 HIS HD2 H 3.340 1.307 -7.930 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HD2 . . . . . . . . . c30449_6cxr 1 . 17 . 2015 . 1 1 1 HIS HE1 H 1.681 5.080 -6.918 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HE1 . . . . . . . . . c30449_6cxr 1 . 17 . 2016 . 1 1 1 HIS HE2 H 2.007 3.370 -8.740 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HE2 . . . . . . . . . c30449_6cxr 1 . 17 . 2017 . 1 1 1 HIS N N 6.462 2.405 -4.379 . . . 1.0 . . . . . . . . . . . . A . 1 HIS N . . . . . . . . . c30449_6cxr 1 . 17 . 2018 . 1 1 1 HIS ND1 N 2.871 3.696 -5.799 . . . 1.0 . . . . . . . . . . . . A . 1 HIS ND1 . . . . . . . . . c30449_6cxr 1 . 17 . 2019 . 1 1 1 HIS NE2 N 2.324 3.250 -7.821 . . . 1.0 . . . . . . . . . . . . A . 1 HIS NE2 . . . . . . . . . c30449_6cxr 1 . 17 . 2020 . 1 1 1 HIS O O 4.485 3.022 -1.816 . . . 1.0 . . . . . . . . . . . . A . 1 HIS O . . . . . . . . . c30449_6cxr 1 . 17 . 2021 . 1 1 2 ARG C C 2.944 0.914 -0.596 . . . 1.0 . . . . . . . . . . . . A . 2 ARG C . . . . . . . . . c30449_6cxr 1 . 17 . 2022 . 1 1 2 ARG CA C 4.271 0.352 -1.098 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CA . . . . . . . . . c30449_6cxr 1 . 17 . 2023 . 1 1 2 ARG CB C 5.392 0.704 -0.117 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CB . . . . . . . . . c30449_6cxr 1 . 17 . 2024 . 1 1 2 ARG CD C 6.506 -0.085 1.994 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CD . . . . . . . . . c30449_6cxr 1 . 17 . 2025 . 1 1 2 ARG CG C 5.184 0.127 1.274 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CG . . . . . . . . . c30449_6cxr 1 . 17 . 2026 . 1 1 2 ARG CZ C 7.778 -1.994 2.894 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CZ . . . . . . . . . c30449_6cxr 1 . 17 . 2027 . 1 1 2 ARG H H 4.746 0.222 -3.157 . . . 1.0 . . . . . . . . . . . . A . 2 ARG H . . . . . . . . . c30449_6cxr 1 . 17 . 2028 . 1 1 2 ARG HA H 4.190 -0.723 -1.164 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HA . . . . . . . . . c30449_6cxr 1 . 17 . 2029 . 1 1 2 ARG HB2 H 6.326 0.325 -0.505 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB2 . . . . . . . . . c30449_6cxr 1 . 17 . 2030 . 1 1 2 ARG HB3 H 5.456 1.778 -0.033 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB3 . . . . . . . . . c30449_6cxr 1 . 17 . 2031 . 1 1 2 ARG HD2 H 7.314 0.082 1.296 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD2 . . . . . . . . . c30449_6cxr 1 . 17 . 2032 . 1 1 2 ARG HD3 H 6.579 0.627 2.803 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD3 . . . . . . . . . c30449_6cxr 1 . 17 . 2033 . 1 1 2 ARG HE H 5.798 -1.954 2.644 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HE . . . . . . . . . c30449_6cxr 1 . 17 . 2034 . 1 1 2 ARG HG2 H 4.578 0.814 1.851 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG2 . . . . . . . . . c30449_6cxr 1 . 17 . 2035 . 1 1 2 ARG HG3 H 4.675 -0.826 1.186 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG3 . . . . . . . . . c30449_6cxr 1 . 17 . 2036 . 1 1 2 ARG HH11 H 8.909 -0.389 2.406 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH11 . . . . . . . . . c30449_6cxr 1 . 17 . 2037 . 1 1 2 ARG HH12 H 9.779 -1.746 3.038 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH12 . . . . . . . . . c30449_6cxr 1 . 17 . 2038 . 1 1 2 ARG HH21 H 6.942 -3.741 3.473 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH21 . . . . . . . . . c30449_6cxr 1 . 17 . 2039 . 1 1 2 ARG HH22 H 8.663 -3.648 3.643 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH22 . . . . . . . . . c30449_6cxr 1 . 17 . 2040 . 1 1 2 ARG N N 4.587 0.859 -2.429 . . . 1.0 . . . . . . . . . . . . A . 2 ARG N . . . . . . . . . c30449_6cxr 1 . 17 . 2041 . 1 1 2 ARG NE N 6.623 -1.435 2.539 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NE . . . . . . . . . c30449_6cxr 1 . 17 . 2042 . 1 1 2 ARG NH1 N 8.915 -1.321 2.769 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH1 . . . . . . . . . c30449_6cxr 1 . 17 . 2043 . 1 1 2 ARG NH2 N 7.796 -3.229 3.376 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH2 . . . . . . . . . c30449_6cxr 1 . 17 . 2044 . 1 1 2 ARG O O 2.837 1.350 0.550 . . . 1.0 . . . . . . . . . . . . A . 2 ARG O . . . . . . . . . c30449_6cxr 1 . 17 . 2045 . 1 1 3 PHE C C -0.184 0.356 -0.358 . . . 1.0 . . . . . . . . . . . . A . 3 PHE C . . . . . . . . . c30449_6cxr 1 . 17 . 2046 . 1 1 3 PHE CA C 0.626 1.410 -1.111 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CA . . . . . . . . . c30449_6cxr 1 . 17 . 2047 . 1 1 3 PHE CB C -0.108 1.844 -2.379 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CB . . . . . . . . . c30449_6cxr 1 . 17 . 2048 . 1 1 3 PHE CD1 C -0.950 -0.154 -3.654 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD1 . . . . . . . . . c30449_6cxr 1 . 17 . 2049 . 1 1 3 PHE CD2 C 0.998 0.963 -4.456 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD2 . . . . . . . . . c30449_6cxr 1 . 17 . 2050 . 1 1 3 PHE CE1 C -0.870 -1.052 -4.702 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE1 . . . . . . . . . c30449_6cxr 1 . 17 . 2051 . 1 1 3 PHE CE2 C 1.084 0.067 -5.505 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE2 . . . . . . . . . c30449_6cxr 1 . 17 . 2052 . 1 1 3 PHE CG C -0.018 0.863 -3.518 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CG . . . . . . . . . c30449_6cxr 1 . 17 . 2053 . 1 1 3 PHE CZ C 0.149 -0.942 -5.628 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CZ . . . . . . . . . c30449_6cxr 1 . 17 . 2054 . 1 1 3 PHE H H 2.074 0.552 -2.358 . . . 1.0 . . . . . . . . . . . . A . 3 PHE H . . . . . . . . . c30449_6cxr 1 . 17 . 2055 . 1 1 3 PHE HA H 0.761 2.269 -0.471 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HA . . . . . . . . . c30449_6cxr 1 . 17 . 2056 . 1 1 3 PHE HB2 H -1.148 1.979 -2.148 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB2 . . . . . . . . . c30449_6cxr 1 . 17 . 2057 . 1 1 3 PHE HB3 H 0.314 2.781 -2.719 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB3 . . . . . . . . . c30449_6cxr 1 . 17 . 2058 . 1 1 3 PHE HD1 H -1.748 -0.242 -2.932 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD1 . . . . . . . . . c30449_6cxr 1 . 17 . 2059 . 1 1 3 PHE HD2 H 1.731 1.751 -4.362 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD2 . . . . . . . . . c30449_6cxr 1 . 17 . 2060 . 1 1 3 PHE HE1 H -1.602 -1.840 -4.795 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE1 . . . . . . . . . c30449_6cxr 1 . 17 . 2061 . 1 1 3 PHE HE2 H 1.881 0.155 -6.228 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE2 . . . . . . . . . c30449_6cxr 1 . 17 . 2062 . 1 1 3 PHE HZ H 0.213 -1.643 -6.447 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HZ . . . . . . . . . c30449_6cxr 1 . 17 . 2063 . 1 1 3 PHE N N 1.935 0.903 -1.461 . . . 1.0 . . . . . . . . . . . . A . 3 PHE N . . . . . . . . . c30449_6cxr 1 . 17 . 2064 . 1 1 3 PHE O O -0.888 -0.453 -0.960 . . . 1.0 . . . . . . . . . . . . A . 3 PHE O . . . . . . . . . c30449_6cxr 1 . 17 . 2065 . 1 1 4 LEU C C -2.280 -0.389 1.743 . . . 1.0 . . . . . . . . . . . . A . 4 LEU C . . . . . . . . . c30449_6cxr 1 . 17 . 2066 . 1 1 4 LEU CA C -0.778 -0.585 1.806 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CA . . . . . . . . . c30449_6cxr 1 . 17 . 2067 . 1 1 4 LEU CB C -0.338 -0.446 3.257 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CB . . . . . . . . . c30449_6cxr 1 . 17 . 2068 . 1 1 4 LEU CD1 C 1.934 0.553 3.561 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD1 . . . . . . . . . c30449_6cxr 1 . 17 . 2069 . 1 1 4 LEU CD2 C 1.326 -1.550 4.777 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD2 . . . . . . . . . c30449_6cxr 1 . 17 . 2070 . 1 1 4 LEU CG C 1.140 -0.740 3.501 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CG . . . . . . . . . c30449_6cxr 1 . 17 . 2071 . 1 1 4 LEU H H 0.515 1.029 1.389 . . . 1.0 . . . . . . . . . . . . A . 4 LEU H . . . . . . . . . c30449_6cxr 1 . 17 . 2072 . 1 1 4 LEU HA H -0.534 -1.574 1.463 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HA . . . . . . . . . c30449_6cxr 1 . 17 . 2073 . 1 1 4 LEU HB2 H -0.546 0.566 3.575 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB2 . . . . . . . . . c30449_6cxr 1 . 17 . 2074 . 1 1 4 LEU HB3 H -0.932 -1.122 3.860 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB3 . . . . . . . . . c30449_6cxr 1 . 17 . 2075 . 1 1 4 LEU HD11 H 1.343 1.354 3.144 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD11 . . . . . . . . . c30449_6cxr 1 . 17 . 2076 . 1 1 4 LEU HD12 H 2.843 0.441 2.989 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD12 . . . . . . . . . c30449_6cxr 1 . 17 . 2077 . 1 1 4 LEU HD13 H 2.178 0.780 4.588 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD13 . . . . . . . . . c30449_6cxr 1 . 17 . 2078 . 1 1 4 LEU HD21 H 2.301 -1.346 5.194 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD21 . . . . . . . . . c30449_6cxr 1 . 17 . 2079 . 1 1 4 LEU HD22 H 1.244 -2.603 4.550 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD22 . . . . . . . . . c30449_6cxr 1 . 17 . 2080 . 1 1 4 LEU HD23 H 0.564 -1.275 5.492 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD23 . . . . . . . . . c30449_6cxr 1 . 17 . 2081 . 1 1 4 LEU HG H 1.520 -1.320 2.674 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HG . . . . . . . . . c30449_6cxr 1 . 17 . 2082 . 1 1 4 LEU N N -0.069 0.369 0.966 . . . 1.0 . . . . . . . . . . . . A . 4 LEU N . . . . . . . . . c30449_6cxr 1 . 17 . 2083 . 1 1 4 LEU O O -2.804 0.591 2.274 . . . 1.0 . . . . . . . . . . . . A . 4 LEU O . . . . . . . . . c30449_6cxr 1 . 17 . 2084 . 1 1 5 ARG C C -4.959 -1.464 2.486 . . . 1.0 . . . . . . . . . . . . A . 5 ARG C . . . . . . . . . c30449_6cxr 1 . 17 . 2085 . 1 1 5 ARG CA C -4.421 -1.252 1.084 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CA . . . . . . . . . c30449_6cxr 1 . 17 . 2086 . 1 1 5 ARG CB C -4.972 -2.285 0.123 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CB . . . . . . . . . c30449_6cxr 1 . 17 . 2087 . 1 1 5 ARG CD C -3.956 -1.399 -1.974 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CD . . . . . . . . . c30449_6cxr 1 . 17 . 2088 . 1 1 5 ARG CG C -5.247 -1.697 -1.230 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CG . . . . . . . . . c30449_6cxr 1 . 17 . 2089 . 1 1 5 ARG CZ C -4.737 -0.187 -3.972 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CZ . . . . . . . . . c30449_6cxr 1 . 17 . 2090 . 1 1 5 ARG H H -2.529 -2.115 0.762 . . . 1.0 . . . . . . . . . . . . A . 5 ARG H . . . . . . . . . c30449_6cxr 1 . 17 . 2091 . 1 1 5 ARG HA H -4.691 -0.272 0.733 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HA . . . . . . . . . c30449_6cxr 1 . 17 . 2092 . 1 1 5 ARG HB2 H -4.254 -3.073 0.004 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HB2 . . . . . . . . . c30449_6cxr 1 . 17 . 2093 . 1 1 5 ARG HB3 H -5.892 -2.686 0.518 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HB3 . . . . . . . . . c30449_6cxr 1 . 17 . 2094 . 1 1 5 ARG HD2 H -3.168 -1.237 -1.249 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HD2 . . . . . . . . . c30449_6cxr 1 . 17 . 2095 . 1 1 5 ARG HD3 H -3.708 -2.248 -2.594 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HD3 . . . . . . . . . c30449_6cxr 1 . 17 . 2096 . 1 1 5 ARG HE H -3.642 0.609 -2.506 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HE . . . . . . . . . c30449_6cxr 1 . 17 . 2097 . 1 1 5 ARG HG2 H -5.834 -2.385 -1.796 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HG2 . . . . . . . . . c30449_6cxr 1 . 17 . 2098 . 1 1 5 ARG HG3 H -5.789 -0.785 -1.096 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HG3 . . . . . . . . . c30449_6cxr 1 . 17 . 2099 . 1 1 5 ARG HH11 H -5.291 -2.131 -3.902 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH11 . . . . . . . . . c30449_6cxr 1 . 17 . 2100 . 1 1 5 ARG HH12 H -5.831 -1.255 -5.294 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH12 . . . . . . . . . c30449_6cxr 1 . 17 . 2101 . 1 1 5 ARG HH21 H -4.352 1.764 -4.337 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH21 . . . . . . . . . c30449_6cxr 1 . 17 . 2102 . 1 1 5 ARG HH22 H -5.298 0.957 -5.542 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH22 . . . . . . . . . c30449_6cxr 1 . 17 . 2103 . 1 1 5 ARG N N -2.982 -1.337 1.140 . . . 1.0 . . . . . . . . . . . . A . 5 ARG N . . . . . . . . . c30449_6cxr 1 . 17 . 2104 . 1 1 5 ARG NE N -4.075 -0.212 -2.817 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NE . . . . . . . . . c30449_6cxr 1 . 17 . 2105 . 1 1 5 ARG NH1 N -5.335 -1.281 -4.427 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NH1 . . . . . . . . . c30449_6cxr 1 . 17 . 2106 . 1 1 5 ARG NH2 N -4.801 0.937 -4.675 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NH2 . . . . . . . . . c30449_6cxr 1 . 17 . 2107 . 1 1 5 ARG O O -5.138 -2.598 2.932 . . . 1.0 . . . . . . . . . . . . A . 5 ARG O . . . . . . . . . c30449_6cxr 1 . 17 . 2108 . 1 1 6 HIS C C -5.902 0.976 5.107 . . . 1.0 . . . . . . . . . . . . A . 6 HIS C . . . . . . . . . c30449_6cxr 1 . 17 . 2109 . 1 1 6 HIS CA C -5.631 -0.425 4.569 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CA . . . . . . . . . c30449_6cxr 1 . 17 . 2110 . 1 1 6 HIS CB C -4.567 -1.136 5.420 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CB . . . . . . . . . c30449_6cxr 1 . 17 . 2111 . 1 1 6 HIS CD2 C -5.440 -0.286 7.722 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CD2 . . . . . . . . . c30449_6cxr 1 . 17 . 2112 . 1 1 6 HIS CE1 C -4.995 -2.076 8.907 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CE1 . . . . . . . . . c30449_6cxr 1 . 17 . 2113 . 1 1 6 HIS CG C -4.882 -1.197 6.887 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CG . . . . . . . . . c30449_6cxr 1 . 17 . 2114 . 1 1 6 HIS H H -4.972 0.508 2.793 . . . 1.0 . . . . . . . . . . . . A . 6 HIS H . . . . . . . . . c30449_6cxr 1 . 17 . 2115 . 1 1 6 HIS HA H -6.545 -0.997 4.595 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HA . . . . . . . . . c30449_6cxr 1 . 17 . 2116 . 1 1 6 HIS HB2 H -4.470 -2.156 5.068 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HB2 . . . . . . . . . c30449_6cxr 1 . 17 . 2117 . 1 1 6 HIS HB3 H -3.610 -0.626 5.297 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HB3 . . . . . . . . . c30449_6cxr 1 . 17 . 2118 . 1 1 6 HIS HD1 H -4.206 -3.140 7.347 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HD1 . . . . . . . . . c30449_6cxr 1 . 17 . 2119 . 1 1 6 HIS HD2 H -5.779 0.704 7.458 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HD2 . . . . . . . . . c30449_6cxr 1 . 17 . 2120 . 1 1 6 HIS HE1 H -4.909 -2.767 9.732 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HE1 . . . . . . . . . c30449_6cxr 1 . 17 . 2121 . 1 1 6 HIS HE2 H -5.925 -0.463 9.757 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HE2 . . . . . . . . . c30449_6cxr 1 . 17 . 2122 . 1 1 6 HIS N N -5.168 -0.364 3.194 . . . 1.0 . . . . . . . . . . . . A . 6 HIS N . . . . . . . . . c30449_6cxr 1 . 17 . 2123 . 1 1 6 HIS ND1 N -4.614 -2.306 7.663 . . . 1.0 . . . . . . . . . . . . A . 6 HIS ND1 . . . . . . . . . c30449_6cxr 1 . 17 . 2124 . 1 1 6 HIS NE2 N -5.497 -0.858 8.969 . . . 1.0 . . . . . . . . . . . . A . 6 HIS NE2 . . . . . . . . . c30449_6cxr 1 . 17 . 2125 . 1 1 6 HIS O O -4.975 1.813 5.071 . . . 1.0 . . . . . . . . . . . . A . 6 HIS O . . . . . . . . . c30449_6cxr 1 . 18 . 2126 . 1 1 1 HIS C C 4.722 2.260 -2.594 . . . 1.0 . . . . . . . . . . . . A . 1 HIS C . . . . . . . . . c30449_6cxr 1 . 18 . 2127 . 1 1 1 HIS CA C 5.106 2.710 -4.001 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CA . . . . . . . . . c30449_6cxr 1 . 18 . 2128 . 1 1 1 HIS CB C 4.261 1.976 -5.045 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CB . . . . . . . . . c30449_6cxr 1 . 18 . 2129 . 1 1 1 HIS CD2 C 3.196 3.100 -7.127 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CD2 . . . . . . . . . c30449_6cxr 1 . 18 . 2130 . 1 1 1 HIS CE1 C 1.721 4.353 -6.096 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CE1 . . . . . . . . . c30449_6cxr 1 . 18 . 2131 . 1 1 1 HIS CG C 3.330 2.875 -5.798 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CG . . . . . . . . . c30449_6cxr 1 . 18 . 2132 . 1 1 1 HIS H1 H 6.657 1.409 -4.364 . . . 1.0 . . . . . . . . . . . . A . 1 HIS H1 . . . . . . . . . c30449_6cxr 1 . 18 . 2133 . 1 1 1 HIS H2 H 7.094 2.815 -3.483 . . . 1.0 . . . . . . . . . . . . A . 1 HIS H2 . . . . . . . . . c30449_6cxr 1 . 18 . 2134 . 1 1 1 HIS H3 H 6.787 2.917 -5.168 . . . 1.0 . . . . . . . . . . . . A . 1 HIS H3 . . . . . . . . . c30449_6cxr 1 . 18 . 2135 . 1 1 1 HIS HA H 4.935 3.773 -4.089 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HA . . . . . . . . . c30449_6cxr 1 . 18 . 2136 . 1 1 1 HIS HB2 H 4.916 1.505 -5.761 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HB2 . . . . . . . . . c30449_6cxr 1 . 18 . 2137 . 1 1 1 HIS HB3 H 3.668 1.219 -4.554 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HB3 . . . . . . . . . c30449_6cxr 1 . 18 . 2138 . 1 1 1 HIS HD1 H 2.239 3.738 -4.214 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HD1 . . . . . . . . . c30449_6cxr 1 . 18 . 2139 . 1 1 1 HIS HD2 H 3.774 2.640 -7.916 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HD2 . . . . . . . . . c30449_6cxr 1 . 18 . 2140 . 1 1 1 HIS HE1 H 0.926 5.058 -5.904 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HE1 . . . . . . . . . c30449_6cxr 1 . 18 . 2141 . 1 1 1 HIS HE2 H 1.934 4.445 -8.130 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HE2 . . . . . . . . . c30449_6cxr 1 . 18 . 2142 . 1 1 1 HIS N N 6.540 2.438 -4.279 . . . 1.0 . . . . . . . . . . . . A . 1 HIS N . . . . . . . . . c30449_6cxr 1 . 18 . 2143 . 1 1 1 HIS ND1 N 2.392 3.676 -5.180 . . . 1.0 . . . . . . . . . . . . A . 1 HIS ND1 . . . . . . . . . c30449_6cxr 1 . 18 . 2144 . 1 1 1 HIS NE2 N 2.191 4.022 -7.285 . . . 1.0 . . . . . . . . . . . . A . 1 HIS NE2 . . . . . . . . . c30449_6cxr 1 . 18 . 2145 . 1 1 1 HIS O O 4.536 3.083 -1.698 . . . 1.0 . . . . . . . . . . . . A . 1 HIS O . . . . . . . . . c30449_6cxr 1 . 18 . 2146 . 1 1 2 ARG C C 2.888 0.901 -0.649 . . . 1.0 . . . . . . . . . . . . A . 2 ARG C . . . . . . . . . c30449_6cxr 1 . 18 . 2147 . 1 1 2 ARG CA C 4.251 0.390 -1.108 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CA . . . . . . . . . c30449_6cxr 1 . 18 . 2148 . 1 1 2 ARG CB C 5.318 0.742 -0.070 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CB . . . . . . . . . c30449_6cxr 1 . 18 . 2149 . 1 1 2 ARG CD C 6.545 -0.347 1.830 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CD . . . . . . . . . c30449_6cxr 1 . 18 . 2150 . 1 1 2 ARG CG C 5.184 -0.036 1.228 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CG . . . . . . . . . c30449_6cxr 1 . 18 . 2151 . 1 1 2 ARG CZ C 7.484 -1.595 3.736 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CZ . . . . . . . . . c30449_6cxr 1 . 18 . 2152 . 1 1 2 ARG H H 4.772 0.342 -3.160 . . . 1.0 . . . . . . . . . . . . A . 2 ARG H . . . . . . . . . c30449_6cxr 1 . 18 . 2153 . 1 1 2 ARG HA H 4.203 -0.683 -1.211 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HA . . . . . . . . . c30449_6cxr 1 . 18 . 2154 . 1 1 2 ARG HB2 H 6.292 0.538 -0.489 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB2 . . . . . . . . . c30449_6cxr 1 . 18 . 2155 . 1 1 2 ARG HB3 H 5.248 1.796 0.158 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB3 . . . . . . . . . c30449_6cxr 1 . 18 . 2156 . 1 1 2 ARG HD2 H 7.129 -0.892 1.104 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD2 . . . . . . . . . c30449_6cxr 1 . 18 . 2157 . 1 1 2 ARG HD3 H 7.041 0.583 2.065 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD3 . . . . . . . . . c30449_6cxr 1 . 18 . 2158 . 1 1 2 ARG HE H 5.536 -1.362 3.370 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HE . . . . . . . . . c30449_6cxr 1 . 18 . 2159 . 1 1 2 ARG HG2 H 4.616 0.555 1.935 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG2 . . . . . . . . . c30449_6cxr 1 . 18 . 2160 . 1 1 2 ARG HG3 H 4.667 -0.967 1.028 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG3 . . . . . . . . . c30449_6cxr 1 . 18 . 2161 . 1 1 2 ARG HH11 H 8.866 -0.782 2.503 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH11 . . . . . . . . . c30449_6cxr 1 . 18 . 2162 . 1 1 2 ARG HH12 H 9.502 -1.664 3.851 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH12 . . . . . . . . . c30449_6cxr 1 . 18 . 2163 . 1 1 2 ARG HH21 H 6.370 -2.522 5.144 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH21 . . . . . . . . . c30449_6cxr 1 . 18 . 2164 . 1 1 2 ARG HH22 H 8.085 -2.652 5.350 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH22 . . . . . . . . . c30449_6cxr 1 . 18 . 2165 . 1 1 2 ARG N N 4.609 0.949 -2.407 . . . 1.0 . . . . . . . . . . . . A . 2 ARG N . . . . . . . . . c30449_6cxr 1 . 18 . 2166 . 1 1 2 ARG NE N 6.436 -1.147 3.048 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NE . . . . . . . . . c30449_6cxr 1 . 18 . 2167 . 1 1 2 ARG NH1 N 8.719 -1.325 3.329 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH1 . . . . . . . . . c30449_6cxr 1 . 18 . 2168 . 1 1 2 ARG NH2 N 7.298 -2.315 4.833 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH2 . . . . . . . . . c30449_6cxr 1 . 18 . 2169 . 1 1 2 ARG O O 2.736 1.358 0.485 . . . 1.0 . . . . . . . . . . . . A . 2 ARG O . . . . . . . . . c30449_6cxr 1 . 18 . 2170 . 1 1 3 PHE C C -0.217 0.210 -0.464 . . . 1.0 . . . . . . . . . . . . A . 3 PHE C . . . . . . . . . c30449_6cxr 1 . 18 . 2171 . 1 1 3 PHE CA C 0.562 1.280 -1.224 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CA . . . . . . . . . c30449_6cxr 1 . 18 . 2172 . 1 1 3 PHE CB C -0.163 1.653 -2.516 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CB . . . . . . . . . c30449_6cxr 1 . 18 . 2173 . 1 1 3 PHE CD1 C -0.941 -0.400 -3.744 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD1 . . . . . . . . . c30449_6cxr 1 . 18 . 2174 . 1 1 3 PHE CD2 C 1.005 0.725 -4.538 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD2 . . . . . . . . . c30449_6cxr 1 . 18 . 2175 . 1 1 3 PHE CE1 C -0.822 -1.329 -4.760 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE1 . . . . . . . . . c30449_6cxr 1 . 18 . 2176 . 1 1 3 PHE CE2 C 1.130 -0.202 -5.556 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE2 . . . . . . . . . c30449_6cxr 1 . 18 . 2177 . 1 1 3 PHE CG C -0.030 0.637 -3.620 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CG . . . . . . . . . c30449_6cxr 1 . 18 . 2178 . 1 1 3 PHE CZ C 0.215 -1.230 -5.667 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CZ . . . . . . . . . c30449_6cxr 1 . 18 . 2179 . 1 1 3 PHE H H 2.075 0.461 -2.420 . . . 1.0 . . . . . . . . . . . . A . 3 PHE H . . . . . . . . . c30449_6cxr 1 . 18 . 2180 . 1 1 3 PHE HA H 0.646 2.159 -0.603 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HA . . . . . . . . . c30449_6cxr 1 . 18 . 2181 . 1 1 3 PHE HB2 H -1.210 1.765 -2.304 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB2 . . . . . . . . . c30449_6cxr 1 . 18 . 2182 . 1 1 3 PHE HB3 H 0.237 2.591 -2.881 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB3 . . . . . . . . . c30449_6cxr 1 . 18 . 2183 . 1 1 3 PHE HD1 H -1.753 -0.479 -3.038 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD1 . . . . . . . . . c30449_6cxr 1 . 18 . 2184 . 1 1 3 PHE HD2 H 1.721 1.529 -4.453 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD2 . . . . . . . . . c30449_6cxr 1 . 18 . 2185 . 1 1 3 PHE HE1 H -1.539 -2.133 -4.845 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE1 . . . . . . . . . c30449_6cxr 1 . 18 . 2186 . 1 1 3 PHE HE2 H 1.942 -0.122 -6.263 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE2 . . . . . . . . . c30449_6cxr 1 . 18 . 2187 . 1 1 3 PHE HZ H 0.310 -1.955 -6.461 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HZ . . . . . . . . . c30449_6cxr 1 . 18 . 2188 . 1 1 3 PHE N N 1.901 0.826 -1.535 . . . 1.0 . . . . . . . . . . . . A . 3 PHE N . . . . . . . . . c30449_6cxr 1 . 18 . 2189 . 1 1 3 PHE O O -0.874 -0.640 -1.062 . . . 1.0 . . . . . . . . . . . . A . 3 PHE O . . . . . . . . . c30449_6cxr 1 . 18 . 2190 . 1 1 4 LEU C C -2.320 -0.477 1.715 . . . 1.0 . . . . . . . . . . . . A . 4 LEU C . . . . . . . . . c30449_6cxr 1 . 18 . 2191 . 1 1 4 LEU CA C -0.822 -0.708 1.704 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CA . . . . . . . . . c30449_6cxr 1 . 18 . 2192 . 1 1 4 LEU CB C -0.313 -0.626 3.137 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CB . . . . . . . . . c30449_6cxr 1 . 18 . 2193 . 1 1 4 LEU CD1 C 1.913 0.502 3.284 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD1 . . . . . . . . . c30449_6cxr 1 . 18 . 2194 . 1 1 4 LEU CD2 C 1.502 -1.616 4.556 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD2 . . . . . . . . . c30449_6cxr 1 . 18 . 2195 . 1 1 4 LEU CG C 1.191 -0.834 3.288 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CG . . . . . . . . . c30449_6cxr 1 . 18 . 2196 . 1 1 4 LEU H H 0.413 0.948 1.282 . . . 1.0 . . . . . . . . . . . . A . 4 LEU H . . . . . . . . . c30449_6cxr 1 . 18 . 2197 . 1 1 4 LEU HA H -0.616 -1.689 1.319 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HA . . . . . . . . . c30449_6cxr 1 . 18 . 2198 . 1 1 4 LEU HB2 H -0.569 0.347 3.531 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB2 . . . . . . . . . c30449_6cxr 1 . 18 . 2199 . 1 1 4 LEU HB3 H -0.827 -1.376 3.724 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB3 . . . . . . . . . c30449_6cxr 1 . 18 . 2200 . 1 1 4 LEU HD11 H 2.707 0.476 2.552 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD11 . . . . . . . . . c30449_6cxr 1 . 18 . 2201 . 1 1 4 LEU HD12 H 2.330 0.691 4.262 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD12 . . . . . . . . . c30449_6cxr 1 . 18 . 2202 . 1 1 4 LEU HD13 H 1.216 1.285 3.031 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD13 . . . . . . . . . c30449_6cxr 1 . 18 . 2203 . 1 1 4 LEU HD21 H 2.429 -1.259 4.981 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD21 . . . . . . . . . c30449_6cxr 1 . 18 . 2204 . 1 1 4 LEU HD22 H 1.597 -2.665 4.318 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD22 . . . . . . . . . c30449_6cxr 1 . 18 . 2205 . 1 1 4 LEU HD23 H 0.703 -1.480 5.269 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD23 . . . . . . . . . c30449_6cxr 1 . 18 . 2206 . 1 1 4 LEU HG H 1.550 -1.403 2.444 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HG . . . . . . . . . c30449_6cxr 1 . 18 . 2207 . 1 1 4 LEU N N -0.133 0.256 0.861 . . . 1.0 . . . . . . . . . . . . A . 4 LEU N . . . . . . . . . c30449_6cxr 1 . 18 . 2208 . 1 1 4 LEU O O -2.795 0.503 2.289 . . . 1.0 . . . . . . . . . . . . A . 4 LEU O . . . . . . . . . c30449_6cxr 1 . 18 . 2209 . 1 1 5 ARG C C -4.985 -1.430 2.565 . . . 1.0 . . . . . . . . . . . . A . 5 ARG C . . . . . . . . . c30449_6cxr 1 . 18 . 2210 . 1 1 5 ARG CA C -4.509 -1.275 1.133 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CA . . . . . . . . . c30449_6cxr 1 . 18 . 2211 . 1 1 5 ARG CB C -5.121 -2.326 0.232 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CB . . . . . . . . . c30449_6cxr 1 . 18 . 2212 . 1 1 5 ARG CD C -4.086 -1.710 -1.951 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CD . . . . . . . . . c30449_6cxr 1 . 18 . 2213 . 1 1 5 ARG CG C -5.375 -1.800 -1.151 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CG . . . . . . . . . c30449_6cxr 1 . 18 . 2214 . 1 1 5 ARG CZ C -4.756 -0.526 -4.006 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CZ . . . . . . . . . c30449_6cxr 1 . 18 . 2215 . 1 1 5 ARG H H -2.657 -2.175 0.708 . . . 1.0 . . . . . . . . . . . . A . 5 ARG H . . . . . . . . . c30449_6cxr 1 . 18 . 2216 . 1 1 5 ARG HA H -4.773 -0.299 0.762 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HA . . . . . . . . . c30449_6cxr 1 . 18 . 2217 . 1 1 5 ARG HB2 H -4.446 -3.156 0.153 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HB2 . . . . . . . . . c30449_6cxr 1 . 18 . 2218 . 1 1 5 ARG HB3 H -6.056 -2.656 0.654 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HB3 . . . . . . . . . c30449_6cxr 1 . 18 . 2219 . 1 1 5 ARG HD2 H -3.256 -1.612 -1.261 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HD2 . . . . . . . . . c30449_6cxr 1 . 18 . 2220 . 1 1 5 ARG HD3 H -3.970 -2.615 -2.528 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HD3 . . . . . . . . . c30449_6cxr 1 . 18 . 2221 . 1 1 5 ARG HE H -3.561 0.221 -2.593 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HE . . . . . . . . . c30449_6cxr 1 . 18 . 2222 . 1 1 5 ARG HG2 H -6.062 -2.449 -1.651 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HG2 . . . . . . . . . c30449_6cxr 1 . 18 . 2223 . 1 1 5 ARG HG3 H -5.799 -0.822 -1.065 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HG3 . . . . . . . . . c30449_6cxr 1 . 18 . 2224 . 1 1 5 ARG HH11 H -5.520 -2.390 -3.827 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH11 . . . . . . . . . c30449_6cxr 1 . 18 . 2225 . 1 1 5 ARG HH12 H -5.978 -1.535 -5.261 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH12 . . . . . . . . . c30449_6cxr 1 . 18 . 2226 . 1 1 5 ARG HH21 H -4.164 1.348 -4.478 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH21 . . . . . . . . . c30449_6cxr 1 . 18 . 2227 . 1 1 5 ARG HH22 H -5.208 0.587 -5.631 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH22 . . . . . . . . . c30449_6cxr 1 . 18 . 2228 . 1 1 5 ARG N N -3.072 -1.395 1.124 . . . 1.0 . . . . . . . . . . . . A . 5 ARG N . . . . . . . . . c30449_6cxr 1 . 18 . 2229 . 1 1 5 ARG NE N -4.086 -0.563 -2.856 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NE . . . . . . . . . c30449_6cxr 1 . 18 . 2230 . 1 1 5 ARG NH1 N -5.477 -1.570 -4.396 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NH1 . . . . . . . . . c30449_6cxr 1 . 18 . 2231 . 1 1 5 ARG NH2 N -4.706 0.558 -4.768 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NH2 . . . . . . . . . c30449_6cxr 1 . 18 . 2232 . 1 1 5 ARG O O -5.169 -2.543 3.056 . . . 1.0 . . . . . . . . . . . . A . 5 ARG O . . . . . . . . . c30449_6cxr 1 . 18 . 2233 . 1 1 6 HIS C C -5.732 1.119 5.144 . . . 1.0 . . . . . . . . . . . . A . 6 HIS C . . . . . . . . . c30449_6cxr 1 . 18 . 2234 . 1 1 6 HIS CA C -5.528 -0.307 4.642 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CA . . . . . . . . . c30449_6cxr 1 . 18 . 2235 . 1 1 6 HIS CB C -4.444 -1.024 5.462 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CB . . . . . . . . . c30449_6cxr 1 . 18 . 2236 . 1 1 6 HIS CD2 C -5.158 -0.055 7.771 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CD2 . . . . . . . . . c30449_6cxr 1 . 18 . 2237 . 1 1 6 HIS CE1 C -4.701 -1.811 9.001 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CE1 . . . . . . . . . c30449_6cxr 1 . 18 . 2238 . 1 1 6 HIS CG C -4.676 -1.016 6.945 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CG . . . . . . . . . c30449_6cxr 1 . 18 . 2239 . 1 1 6 HIS H H -4.934 0.551 2.807 . . . 1.0 . . . . . . . . . . . . A . 6 HIS H . . . . . . . . . c30449_6cxr 1 . 18 . 2240 . 1 1 6 HIS HA H -6.457 -0.848 4.731 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HA . . . . . . . . . c30449_6cxr 1 . 18 . 2241 . 1 1 6 HIS HB2 H -4.403 -2.060 5.147 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HB2 . . . . . . . . . c30449_6cxr 1 . 18 . 2242 . 1 1 6 HIS HB3 H -3.477 -0.555 5.265 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HB3 . . . . . . . . . c30449_6cxr 1 . 18 . 2243 . 1 1 6 HIS HD1 H -4.037 -2.961 7.446 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HD1 . . . . . . . . . c30449_6cxr 1 . 18 . 2244 . 1 1 6 HIS HD2 H -5.480 0.934 7.485 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HD2 . . . . . . . . . c30449_6cxr 1 . 18 . 2245 . 1 1 6 HIS HE1 H -4.587 -2.471 9.849 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HE1 . . . . . . . . . c30449_6cxr 1 . 18 . 2246 . 1 1 6 HIS HE2 H -5.370 -0.077 9.860 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HE2 . . . . . . . . . c30449_6cxr 1 . 18 . 2247 . 1 1 6 HIS N N -5.132 -0.302 3.246 . . . 1.0 . . . . . . . . . . . . A . 6 HIS N . . . . . . . . . c30449_6cxr 1 . 18 . 2248 . 1 1 6 HIS ND1 N -4.399 -2.102 7.749 . . . 1.0 . . . . . . . . . . . . A . 6 HIS ND1 . . . . . . . . . c30449_6cxr 1 . 18 . 2249 . 1 1 6 HIS NE2 N -5.162 -0.575 9.042 . . . 1.0 . . . . . . . . . . . . A . 6 HIS NE2 . . . . . . . . . c30449_6cxr 1 . 18 . 2250 . 1 1 6 HIS O O -6.805 1.395 5.720 . . . 1.0 . . . . . . . . . . . . A . 6 HIS O . . . . . . . . . c30449_6cxr 1 . 19 . 2251 . 1 1 1 HIS C C 5.360 1.184 -3.084 . . . 1.0 . . . . . . . . . . . . A . 1 HIS C . . . . . . . . . c30449_6cxr 1 . 19 . 2252 . 1 1 1 HIS CA C 5.477 1.919 -4.414 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CA . . . . . . . . . c30449_6cxr 1 . 19 . 2253 . 1 1 1 HIS CB C 4.595 1.247 -5.468 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CB . . . . . . . . . c30449_6cxr 1 . 19 . 2254 . 1 1 1 HIS CD2 C 4.664 1.722 -8.017 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CD2 . . . . . . . . . c30449_6cxr 1 . 19 . 2255 . 1 1 1 HIS CE1 C 3.999 3.810 -7.971 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CE1 . . . . . . . . . c30449_6cxr 1 . 19 . 2256 . 1 1 1 HIS CG C 4.447 2.051 -6.722 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CG . . . . . . . . . c30449_6cxr 1 . 19 . 2257 . 1 1 1 HIS H1 H 7.420 2.589 -4.311 . . . 1.0 . . . . . . . . . . . . A . 1 HIS H1 . . . . . . . . . c30449_6cxr 1 . 19 . 2258 . 1 1 1 HIS H2 H 6.868 2.232 -5.897 . . . 1.0 . . . . . . . . . . . . A . 1 HIS H2 . . . . . . . . . c30449_6cxr 1 . 19 . 2259 . 1 1 1 HIS H3 H 7.253 0.958 -4.812 . . . 1.0 . . . . . . . . . . . . A . 1 HIS H3 . . . . . . . . . c30449_6cxr 1 . 19 . 2260 . 1 1 1 HIS HA H 5.155 2.941 -4.281 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HA . . . . . . . . . c30449_6cxr 1 . 19 . 2261 . 1 1 1 HIS HB2 H 5.026 0.293 -5.733 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HB2 . . . . . . . . . c30449_6cxr 1 . 19 . 2262 . 1 1 1 HIS HB3 H 3.610 1.089 -5.055 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HB3 . . . . . . . . . c30449_6cxr 1 . 19 . 2263 . 1 1 1 HIS HD1 H 3.797 3.896 -5.936 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HD1 . . . . . . . . . c30449_6cxr 1 . 19 . 2264 . 1 1 1 HIS HD2 H 4.999 0.763 -8.388 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HD2 . . . . . . . . . c30449_6cxr 1 . 19 . 2265 . 1 1 1 HIS HE1 H 3.712 4.805 -8.279 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HE1 . . . . . . . . . c30449_6cxr 1 . 19 . 2266 . 1 1 1 HIS HE2 H 4.344 2.861 -9.752 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HE2 . . . . . . . . . c30449_6cxr 1 . 19 . 2267 . 1 1 1 HIS N N 6.881 1.925 -4.902 . . . 1.0 . . . . . . . . . . . . A . 1 HIS N . . . . . . . . . c30449_6cxr 1 . 19 . 2268 . 1 1 1 HIS ND1 N 4.033 3.366 -6.727 . . . 1.0 . . . . . . . . . . . . A . 1 HIS ND1 . . . . . . . . . c30449_6cxr 1 . 19 . 2269 . 1 1 1 HIS NE2 N 4.378 2.833 -8.773 . . . 1.0 . . . . . . . . . . . . A . 1 HIS NE2 . . . . . . . . . c30449_6cxr 1 . 19 . 2270 . 1 1 1 HIS O O 6.178 0.322 -2.764 . . . 1.0 . . . . . . . . . . . . A . 1 HIS O . . . . . . . . . c30449_6cxr 1 . 19 . 2271 . 1 1 2 ARG C C 2.787 1.358 -0.412 . . . 1.0 . . . . . . . . . . . . A . 2 ARG C . . . . . . . . . c30449_6cxr 1 . 19 . 2272 . 1 1 2 ARG CA C 4.113 0.905 -1.014 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CA . . . . . . . . . c30449_6cxr 1 . 19 . 2273 . 1 1 2 ARG CB C 5.262 1.237 -0.061 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CB . . . . . . . . . c30449_6cxr 1 . 19 . 2274 . 1 1 2 ARG CD C 6.586 0.206 1.808 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CD . . . . . . . . . c30449_6cxr 1 . 19 . 2275 . 1 1 2 ARG CG C 5.196 0.481 1.256 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CG . . . . . . . . . c30449_6cxr 1 . 19 . 2276 . 1 1 2 ARG CZ C 7.229 2.256 3.018 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CZ . . . . . . . . . c30449_6cxr 1 . 19 . 2277 . 1 1 2 ARG H H 3.717 2.226 -2.619 . . . 1.0 . . . . . . . . . . . . A . 2 ARG H . . . . . . . . . c30449_6cxr 1 . 19 . 2278 . 1 1 2 ARG HA H 4.080 -0.164 -1.163 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HA . . . . . . . . . c30449_6cxr 1 . 19 . 2279 . 1 1 2 ARG HB2 H 6.196 0.994 -0.545 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB2 . . . . . . . . . c30449_6cxr 1 . 19 . 2280 . 1 1 2 ARG HB3 H 5.242 2.295 0.154 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB3 . . . . . . . . . c30449_6cxr 1 . 19 . 2281 . 1 1 2 ARG HD2 H 6.489 -0.284 2.765 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD2 . . . . . . . . . c30449_6cxr 1 . 19 . 2282 . 1 1 2 ARG HD3 H 7.108 -0.445 1.123 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD3 . . . . . . . . . c30449_6cxr 1 . 19 . 2283 . 1 1 2 ARG HE H 8.014 1.657 1.284 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HE . . . . . . . . . c30449_6cxr 1 . 19 . 2284 . 1 1 2 ARG HG2 H 4.645 1.075 1.973 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG2 . . . . . . . . . c30449_6cxr 1 . 19 . 2285 . 1 1 2 ARG HG3 H 4.689 -0.463 1.094 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG3 . . . . . . . . . c30449_6cxr 1 . 19 . 2286 . 1 1 2 ARG HH11 H 5.793 1.163 3.930 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH11 . . . . . . . . . c30449_6cxr 1 . 19 . 2287 . 1 1 2 ARG HH12 H 6.261 2.610 4.757 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH12 . . . . . . . . . c30449_6cxr 1 . 19 . 2288 . 1 1 2 ARG HH21 H 8.634 3.558 2.374 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH21 . . . . . . . . . c30449_6cxr 1 . 19 . 2289 . 1 1 2 ARG HH22 H 7.874 3.969 3.875 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH22 . . . . . . . . . c30449_6cxr 1 . 19 . 2290 . 1 1 2 ARG N N 4.336 1.531 -2.311 . . . 1.0 . . . . . . . . . . . . A . 2 ARG N . . . . . . . . . c30449_6cxr 1 . 19 . 2291 . 1 1 2 ARG NE N 7.361 1.433 1.980 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NE . . . . . . . . . c30449_6cxr 1 . 19 . 2292 . 1 1 2 ARG NH1 N 6.356 1.987 3.981 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH1 . . . . . . . . . c30449_6cxr 1 . 19 . 2293 . 1 1 2 ARG NH2 N 7.973 3.351 3.095 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH2 . . . . . . . . . c30449_6cxr 1 . 19 . 2294 . 1 1 2 ARG O O 2.695 1.617 0.788 . . . 1.0 . . . . . . . . . . . . A . 2 ARG O . . . . . . . . . c30449_6cxr 1 . 19 . 2295 . 1 1 3 PHE C C -0.320 0.700 -0.204 . . . 1.0 . . . . . . . . . . . . A . 3 PHE C . . . . . . . . . c30449_6cxr 1 . 19 . 2296 . 1 1 3 PHE CA C 0.449 1.871 -0.807 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CA . . . . . . . . . c30449_6cxr 1 . 19 . 2297 . 1 1 3 PHE CB C -0.324 2.467 -1.984 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CB . . . . . . . . . c30449_6cxr 1 . 19 . 2298 . 1 1 3 PHE CD1 C -1.219 0.672 -3.503 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD1 . . . . . . . . . c30449_6cxr 1 . 19 . 2299 . 1 1 3 PHE CD2 C 0.735 1.859 -4.180 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD2 . . . . . . . . . c30449_6cxr 1 . 19 . 2300 . 1 1 3 PHE CE1 C -1.170 -0.076 -4.664 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE1 . . . . . . . . . c30449_6cxr 1 . 19 . 2301 . 1 1 3 PHE CE2 C 0.789 1.114 -5.342 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE2 . . . . . . . . . c30449_6cxr 1 . 19 . 2302 . 1 1 3 PHE CG C -0.268 1.648 -3.246 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CG . . . . . . . . . c30449_6cxr 1 . 19 . 2303 . 1 1 3 PHE CZ C -0.164 0.144 -5.584 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CZ . . . . . . . . . c30449_6cxr 1 . 19 . 2304 . 1 1 3 PHE H H 1.887 1.238 -2.193 . . . 1.0 . . . . . . . . . . . . A . 3 PHE H . . . . . . . . . c30449_6cxr 1 . 19 . 2305 . 1 1 3 PHE HA H 0.580 2.630 -0.051 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HA . . . . . . . . . c30449_6cxr 1 . 19 . 2306 . 1 1 3 PHE HB2 H -1.357 2.562 -1.705 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB2 . . . . . . . . . c30449_6cxr 1 . 19 . 2307 . 1 1 3 PHE HB3 H 0.084 3.446 -2.207 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB3 . . . . . . . . . c30449_6cxr 1 . 19 . 2308 . 1 1 3 PHE HD1 H -2.007 0.498 -2.785 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD1 . . . . . . . . . c30449_6cxr 1 . 19 . 2309 . 1 1 3 PHE HD2 H 1.481 2.617 -3.992 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD2 . . . . . . . . . c30449_6cxr 1 . 19 . 2310 . 1 1 3 PHE HE1 H -1.917 -0.833 -4.852 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE1 . . . . . . . . . c30449_6cxr 1 . 19 . 2311 . 1 1 3 PHE HE2 H 1.577 1.288 -6.060 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE2 . . . . . . . . . c30449_6cxr 1 . 19 . 2312 . 1 1 3 PHE HZ H -0.124 -0.440 -6.492 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HZ . . . . . . . . . c30449_6cxr 1 . 19 . 2313 . 1 1 3 PHE N N 1.760 1.451 -1.252 . . . 1.0 . . . . . . . . . . . . A . 3 PHE N . . . . . . . . . c30449_6cxr 1 . 19 . 2314 . 1 1 3 PHE O O -1.021 -0.027 -0.905 . . . 1.0 . . . . . . . . . . . . A . 3 PHE O . . . . . . . . . c30449_6cxr 1 . 19 . 2315 . 1 1 4 LEU C C -2.351 -0.402 1.785 . . . 1.0 . . . . . . . . . . . . A . 4 LEU C . . . . . . . . . c30449_6cxr 1 . 19 . 2316 . 1 1 4 LEU CA C -0.843 -0.563 1.807 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CA . . . . . . . . . c30449_6cxr 1 . 19 . 2317 . 1 1 4 LEU CB C -0.381 -0.612 3.258 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CB . . . . . . . . . c30449_6cxr 1 . 19 . 2318 . 1 1 4 LEU CD1 C 1.885 0.357 3.675 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD1 . . . . . . . . . c30449_6cxr 1 . 19 . 2319 . 1 1 4 LEU CD2 C 1.315 -1.908 4.578 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD2 . . . . . . . . . c30449_6cxr 1 . 19 . 2320 . 1 1 4 LEU CG C 1.102 -0.922 3.438 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CG . . . . . . . . . c30449_6cxr 1 . 19 . 2321 . 1 1 4 LEU H H 0.406 1.125 1.608 . . . 1.0 . . . . . . . . . . . . A . 4 LEU H . . . . . . . . . c30449_6cxr 1 . 19 . 2322 . 1 1 4 LEU HA H -0.576 -1.487 1.326 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HA . . . . . . . . . c30449_6cxr 1 . 19 . 2323 . 1 1 4 LEU HB2 H -0.590 0.347 3.710 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB2 . . . . . . . . . c30449_6cxr 1 . 19 . 2324 . 1 1 4 LEU HB3 H -0.960 -1.367 3.777 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB3 . . . . . . . . . c30449_6cxr 1 . 19 . 2325 . 1 1 4 LEU HD11 H 1.294 1.202 3.354 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD11 . . . . . . . . . c30449_6cxr 1 . 19 . 2326 . 1 1 4 LEU HD12 H 2.804 0.324 3.109 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD12 . . . . . . . . . c30449_6cxr 1 . 19 . 2327 . 1 1 4 LEU HD13 H 2.110 0.453 4.727 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD13 . . . . . . . . . c30449_6cxr 1 . 19 . 2328 . 1 1 4 LEU HD21 H 1.363 -2.912 4.182 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD21 . . . . . . . . . c30449_6cxr 1 . 19 . 2329 . 1 1 4 LEU HD22 H 0.494 -1.836 5.276 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD22 . . . . . . . . . c30449_6cxr 1 . 19 . 2330 . 1 1 4 LEU HD23 H 2.240 -1.677 5.086 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD23 . . . . . . . . . c30449_6cxr 1 . 19 . 2331 . 1 1 4 LEU HG H 1.475 -1.370 2.529 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HG . . . . . . . . . c30449_6cxr 1 . 19 . 2332 . 1 1 4 LEU N N -0.174 0.520 1.104 . . . 1.0 . . . . . . . . . . . . A . 4 LEU N . . . . . . . . . c30449_6cxr 1 . 19 . 2333 . 1 1 4 LEU O O -2.894 0.478 2.454 . . . 1.0 . . . . . . . . . . . . A . 4 LEU O . . . . . . . . . c30449_6cxr 1 . 19 . 2334 . 1 1 5 ARG C C -4.997 -1.597 2.399 . . . 1.0 . . . . . . . . . . . . A . 5 ARG C . . . . . . . . . c30449_6cxr 1 . 19 . 2335 . 1 1 5 ARG CA C -4.480 -1.219 1.025 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CA . . . . . . . . . c30449_6cxr 1 . 19 . 2336 . 1 1 5 ARG CB C -5.024 -2.149 -0.040 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CB . . . . . . . . . c30449_6cxr 1 . 19 . 2337 . 1 1 5 ARG CD C -4.162 -0.793 -1.950 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CD . . . . . . . . . c30449_6cxr 1 . 19 . 2338 . 1 1 5 ARG CG C -5.387 -1.407 -1.293 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CG . . . . . . . . . c30449_6cxr 1 . 19 . 2339 . 1 1 5 ARG CZ C -5.291 0.764 -3.491 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CZ . . . . . . . . . c30449_6cxr 1 . 19 . 2340 . 1 1 5 ARG H H -2.568 -1.978 0.568 . . . 1.0 . . . . . . . . . . . . A . 5 ARG H . . . . . . . . . c30449_6cxr 1 . 19 . 2341 . 1 1 5 ARG HA H -4.777 -0.212 0.787 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HA . . . . . . . . . c30449_6cxr 1 . 19 . 2342 . 1 1 5 ARG HB2 H -4.277 -2.877 -0.288 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HB2 . . . . . . . . . c30449_6cxr 1 . 19 . 2343 . 1 1 5 ARG HB3 H -5.906 -2.644 0.335 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HB3 . . . . . . . . . c30449_6cxr 1 . 19 . 2344 . 1 1 5 ARG HD2 H -3.375 -0.711 -1.211 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HD2 . . . . . . . . . c30449_6cxr 1 . 19 . 2345 . 1 1 5 ARG HD3 H -3.836 -1.439 -2.752 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HD3 . . . . . . . . . c30449_6cxr 1 . 19 . 2346 . 1 1 5 ARG HE H -3.977 1.295 -2.086 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HE . . . . . . . . . c30449_6cxr 1 . 19 . 2347 . 1 1 5 ARG HG2 H -5.852 -2.083 -1.972 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HG2 . . . . . . . . . c30449_6cxr 1 . 19 . 2348 . 1 1 5 ARG HG3 H -6.071 -0.628 -1.035 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HG3 . . . . . . . . . c30449_6cxr 1 . 19 . 2349 . 1 1 5 ARG HH11 H -5.789 -1.179 -3.750 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH11 . . . . . . . . . c30449_6cxr 1 . 19 . 2350 . 1 1 5 ARG HH12 H -6.574 -0.062 -4.816 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH12 . . . . . . . . . c30449_6cxr 1 . 19 . 2351 . 1 1 5 ARG HH21 H -5.009 2.765 -3.486 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH21 . . . . . . . . . c30449_6cxr 1 . 19 . 2352 . 1 1 5 ARG HH22 H -6.131 2.175 -4.666 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH22 . . . . . . . . . c30449_6cxr 1 . 19 . 2353 . 1 1 5 ARG N N -3.037 -1.274 1.058 . . . 1.0 . . . . . . . . . . . . A . 5 ARG N . . . . . . . . . c30449_6cxr 1 . 19 . 2354 . 1 1 5 ARG NE N -4.442 0.534 -2.491 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NE . . . . . . . . . c30449_6cxr 1 . 19 . 2355 . 1 1 5 ARG NH1 N -5.937 -0.242 -4.066 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NH1 . . . . . . . . . c30449_6cxr 1 . 19 . 2356 . 1 1 5 ARG NH2 N -5.493 2.003 -3.916 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NH2 . . . . . . . . . c30449_6cxr 1 . 19 . 2357 . 1 1 5 ARG O O -5.143 -2.776 2.722 . . . 1.0 . . . . . . . . . . . . A . 5 ARG O . . . . . . . . . c30449_6cxr 1 . 19 . 2358 . 1 1 6 HIS C C -5.941 0.527 5.280 . . . 1.0 . . . . . . . . . . . . A . 6 HIS C . . . . . . . . . c30449_6cxr 1 . 19 . 2359 . 1 1 6 HIS CA C -5.666 -0.804 4.589 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CA . . . . . . . . . c30449_6cxr 1 . 19 . 2360 . 1 1 6 HIS CB C -4.585 -1.594 5.342 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CB . . . . . . . . . c30449_6cxr 1 . 19 . 2361 . 1 1 6 HIS CD2 C -5.433 -1.011 7.733 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CD2 . . . . . . . . . c30449_6cxr 1 . 19 . 2362 . 1 1 6 HIS CE1 C -4.964 -2.919 8.706 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CE1 . . . . . . . . . c30449_6cxr 1 . 19 . 2363 . 1 1 6 HIS CG C -4.880 -1.819 6.796 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CG . . . . . . . . . c30449_6cxr 1 . 19 . 2364 . 1 1 6 HIS H H -5.051 0.329 2.918 . . . 1.0 . . . . . . . . . . . . A . 6 HIS H . . . . . . . . . c30449_6cxr 1 . 19 . 2365 . 1 1 6 HIS HA H -6.576 -1.384 4.562 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HA . . . . . . . . . c30449_6cxr 1 . 19 . 2366 . 1 1 6 HIS HB2 H -4.483 -2.568 4.878 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HB2 . . . . . . . . . c30449_6cxr 1 . 19 . 2367 . 1 1 6 HIS HB3 H -3.635 -1.063 5.266 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HB3 . . . . . . . . . c30449_6cxr 1 . 19 . 2368 . 1 1 6 HIS HD1 H -4.187 -3.796 7.029 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HD1 . . . . . . . . . c30449_6cxr 1 . 19 . 2369 . 1 1 6 HIS HD2 H -5.780 0.001 7.584 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HD2 . . . . . . . . . c30449_6cxr 1 . 19 . 2370 . 1 1 6 HIS HE1 H -4.864 -3.696 9.448 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HE1 . . . . . . . . . c30449_6cxr 1 . 19 . 2371 . 1 1 6 HIS HE2 H -5.872 -1.408 9.748 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HE2 . . . . . . . . . c30449_6cxr 1 . 19 . 2372 . 1 1 6 HIS N N -5.222 -0.585 3.224 . . . 1.0 . . . . . . . . . . . . A . 6 HIS N . . . . . . . . . c30449_6cxr 1 . 19 . 2373 . 1 1 6 HIS ND1 N -4.597 -3.007 7.440 . . . 1.0 . . . . . . . . . . . . A . 6 HIS ND1 . . . . . . . . . c30449_6cxr 1 . 19 . 2374 . 1 1 6 HIS NE2 N -5.473 -1.719 8.909 . . . 1.0 . . . . . . . . . . . . A . 6 HIS NE2 . . . . . . . . . c30449_6cxr 1 . 19 . 2375 . 1 1 6 HIS O O -7.127 0.835 5.520 . . . 1.0 . . . . . . . . . . . . A . 6 HIS O . . . . . . . . . c30449_6cxr 1 . 20 . 2376 . 1 1 1 HIS C C 4.821 2.248 -2.617 . . . 1.0 . . . . . . . . . . . . A . 1 HIS C . . . . . . . . . c30449_6cxr 1 . 20 . 2377 . 1 1 1 HIS CA C 5.188 2.692 -4.030 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CA . . . . . . . . . c30449_6cxr 1 . 20 . 2378 . 1 1 1 HIS CB C 4.181 2.142 -5.043 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CB . . . . . . . . . c30449_6cxr 1 . 20 . 2379 . 1 1 1 HIS CD2 C 3.025 3.638 -6.819 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CD2 . . . . . . . . . c30449_6cxr 1 . 20 . 2380 . 1 1 1 HIS CE1 C 1.637 4.696 -5.492 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CE1 . . . . . . . . . c30449_6cxr 1 . 20 . 2381 . 1 1 1 HIS CG C 3.230 3.174 -5.563 . . . 1.0 . . . . . . . . . . . . A . 1 HIS CG . . . . . . . . . c30449_6cxr 1 . 20 . 2382 . 1 1 1 HIS H1 H 7.204 2.509 -3.659 . . . 1.0 . . . . . . . . . . . . A . 1 HIS H1 . . . . . . . . . c30449_6cxr 1 . 20 . 2383 . 1 1 1 HIS H2 H 6.791 2.648 -5.319 . . . 1.0 . . . . . . . . . . . . A . 1 HIS H2 . . . . . . . . . c30449_6cxr 1 . 20 . 2384 . 1 1 1 HIS H3 H 6.505 1.178 -4.482 . . . 1.0 . . . . . . . . . . . . A . 1 HIS H3 . . . . . . . . . c30449_6cxr 1 . 20 . 2385 . 1 1 1 HIS HA H 5.182 3.771 -4.073 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HA . . . . . . . . . c30449_6cxr 1 . 20 . 2386 . 1 1 1 HIS HB2 H 4.717 1.731 -5.885 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HB2 . . . . . . . . . c30449_6cxr 1 . 20 . 2387 . 1 1 1 HIS HB3 H 3.602 1.358 -4.576 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HB3 . . . . . . . . . c30449_6cxr 1 . 20 . 2388 . 1 1 1 HIS HD1 H 2.249 3.744 -3.787 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HD1 . . . . . . . . . c30449_6cxr 1 . 20 . 2389 . 1 1 1 HIS HD2 H 3.547 3.323 -7.712 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HD2 . . . . . . . . . c30449_6cxr 1 . 20 . 2390 . 1 1 1 HIS HE1 H 0.868 5.361 -5.128 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HE1 . . . . . . . . . c30449_6cxr 1 . 20 . 2391 . 1 1 1 HIS HE2 H 1.735 5.155 -7.485 . . . 1.0 . . . . . . . . . . . . A . 1 HIS HE2 . . . . . . . . . c30449_6cxr 1 . 20 . 2392 . 1 1 1 HIS N N 6.545 2.214 -4.407 . . . 1.0 . . . . . . . . . . . . A . 1 HIS N . . . . . . . . . c30449_6cxr 1 . 20 . 2393 . 1 1 1 HIS ND1 N 2.345 3.857 -4.755 . . . 1.0 . . . . . . . . . . . . A . 1 HIS ND1 . . . . . . . . . c30449_6cxr 1 . 20 . 2394 . 1 1 1 HIS NE2 N 2.031 4.583 -6.746 . . . 1.0 . . . . . . . . . . . . A . 1 HIS NE2 . . . . . . . . . c30449_6cxr 1 . 20 . 2395 . 1 1 1 HIS O O 4.751 3.064 -1.698 . . . 1.0 . . . . . . . . . . . . A . 1 HIS O . . . . . . . . . c30449_6cxr 1 . 20 . 2396 . 1 1 2 ARG C C 2.895 0.937 -0.662 . . . 1.0 . . . . . . . . . . . . A . 2 ARG C . . . . . . . . . c30449_6cxr 1 . 20 . 2397 . 1 1 2 ARG CA C 4.236 0.391 -1.148 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CA . . . . . . . . . c30449_6cxr 1 . 20 . 2398 . 1 1 2 ARG CB C 5.330 0.700 -0.123 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CB . . . . . . . . . c30449_6cxr 1 . 20 . 2399 . 1 1 2 ARG CD C 6.377 -0.131 2.003 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CD . . . . . . . . . c30449_6cxr 1 . 20 . 2400 . 1 1 2 ARG CG C 5.078 0.084 1.243 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CG . . . . . . . . . c30449_6cxr 1 . 20 . 2401 . 1 1 2 ARG CZ C 7.072 -1.060 4.176 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CZ . . . . . . . . . c30449_6cxr 1 . 20 . 2402 . 1 1 2 ARG H H 4.667 0.348 -3.222 . . . 1.0 . . . . . . . . . . . . A . 2 ARG H . . . . . . . . . c30449_6cxr 1 . 20 . 2403 . 1 1 2 ARG HA H 4.154 -0.680 -1.259 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HA . . . . . . . . . c30449_6cxr 1 . 20 . 2404 . 1 1 2 ARG HB2 H 6.272 0.324 -0.495 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB2 . . . . . . . . . c30449_6cxr 1 . 20 . 2405 . 1 1 2 ARG HB3 H 5.403 1.771 -0.003 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB3 . . . . . . . . . c30449_6cxr 1 . 20 . 2406 . 1 1 2 ARG HD2 H 7.088 -0.608 1.346 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD2 . . . . . . . . . c30449_6cxr 1 . 20 . 2407 . 1 1 2 ARG HD3 H 6.761 0.830 2.311 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD3 . . . . . . . . . c30449_6cxr 1 . 20 . 2408 . 1 1 2 ARG HE H 5.360 -1.490 3.243 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HE . . . . . . . . . c30449_6cxr 1 . 20 . 2409 . 1 1 2 ARG HG2 H 4.443 0.748 1.816 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG2 . . . . . . . . . c30449_6cxr 1 . 20 . 2410 . 1 1 2 ARG HG3 H 4.584 -0.872 1.111 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG3 . . . . . . . . . c30449_6cxr 1 . 20 . 2411 . 1 1 2 ARG HH11 H 8.399 0.224 3.351 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH11 . . . . . . . . . c30449_6cxr 1 . 20 . 2412 . 1 1 2 ARG HH12 H 8.864 -0.443 4.880 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH12 . . . . . . . . . c30449_6cxr 1 . 20 . 2413 . 1 1 2 ARG HH21 H 5.971 -2.369 5.254 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH21 . . . . . . . . . c30449_6cxr 1 . 20 . 2414 . 1 1 2 ARG HH22 H 7.486 -1.915 5.960 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH22 . . . . . . . . . c30449_6cxr 1 . 20 . 2415 . 1 1 2 ARG N N 4.591 0.948 -2.451 . . . 1.0 . . . . . . . . . . . . A . 2 ARG N . . . . . . . . . c30449_6cxr 1 . 20 . 2416 . 1 1 2 ARG NE N 6.188 -0.968 3.185 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NE . . . . . . . . . c30449_6cxr 1 . 20 . 2417 . 1 1 2 ARG NH1 N 8.205 -0.370 4.132 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH1 . . . . . . . . . c30449_6cxr 1 . 20 . 2418 . 1 1 2 ARG NH2 N 6.822 -1.846 5.215 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH2 . . . . . . . . . c30449_6cxr 1 . 20 . 2419 . 1 1 2 ARG O O 2.778 1.405 0.471 . . . 1.0 . . . . . . . . . . . . A . 2 ARG O . . . . . . . . . c30449_6cxr 1 . 20 . 2420 . 1 1 3 PHE C C -0.223 0.311 -0.406 . . . 1.0 . . . . . . . . . . . . A . 3 PHE C . . . . . . . . . c30449_6cxr 1 . 20 . 2421 . 1 1 3 PHE CA C 0.564 1.360 -1.189 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CA . . . . . . . . . c30449_6cxr 1 . 20 . 2422 . 1 1 3 PHE CB C -0.180 1.738 -2.469 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CB . . . . . . . . . c30449_6cxr 1 . 20 . 2423 . 1 1 3 PHE CD1 C 0.955 0.822 -4.513 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD1 . . . . . . . . . c30449_6cxr 1 . 20 . 2424 . 1 1 3 PHE CD2 C -0.970 -0.317 -3.688 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD2 . . . . . . . . . c30449_6cxr 1 . 20 . 2425 . 1 1 3 PHE CE1 C 1.068 -0.102 -5.535 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE1 . . . . . . . . . c30449_6cxr 1 . 20 . 2426 . 1 1 3 PHE CE2 C -0.863 -1.244 -4.708 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE2 . . . . . . . . . c30449_6cxr 1 . 20 . 2427 . 1 1 3 PHE CG C -0.063 0.725 -3.578 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CG . . . . . . . . . c30449_6cxr 1 . 20 . 2428 . 1 1 3 PHE CZ C 0.158 -1.136 -5.632 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CZ . . . . . . . . . c30449_6cxr 1 . 20 . 2429 . 1 1 3 PHE H H 2.033 0.500 -2.411 . . . 1.0 . . . . . . . . . . . . A . 3 PHE H . . . . . . . . . c30449_6cxr 1 . 20 . 2430 . 1 1 3 PHE HA H 0.678 2.241 -0.576 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HA . . . . . . . . . c30449_6cxr 1 . 20 . 2431 . 1 1 3 PHE HB2 H -1.224 1.852 -2.242 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB2 . . . . . . . . . c30449_6cxr 1 . 20 . 2432 . 1 1 3 PHE HB3 H 0.218 2.675 -2.836 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB3 . . . . . . . . . c30449_6cxr 1 . 20 . 2433 . 1 1 3 PHE HD1 H 1.667 1.629 -4.437 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD1 . . . . . . . . . c30449_6cxr 1 . 20 . 2434 . 1 1 3 PHE HD2 H -1.770 -0.402 -2.968 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD2 . . . . . . . . . c30449_6cxr 1 . 20 . 2435 . 1 1 3 PHE HE1 H 1.866 -0.014 -6.256 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE1 . . . . . . . . . c30449_6cxr 1 . 20 . 2436 . 1 1 3 PHE HE2 H -1.576 -2.052 -4.782 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE2 . . . . . . . . . c30449_6cxr 1 . 20 . 2437 . 1 1 3 PHE HZ H 0.245 -1.858 -6.430 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HZ . . . . . . . . . c30449_6cxr 1 . 20 . 2438 . 1 1 3 PHE N N 1.886 0.875 -1.525 . . . 1.0 . . . . . . . . . . . . A . 3 PHE N . . . . . . . . . c30449_6cxr 1 . 20 . 2439 . 1 1 3 PHE O O -0.908 -0.528 -0.987 . . . 1.0 . . . . . . . . . . . . A . 3 PHE O . . . . . . . . . c30449_6cxr 1 . 20 . 2440 . 1 1 4 LEU C C -2.312 -0.386 1.740 . . . 1.0 . . . . . . . . . . . . A . 4 LEU C . . . . . . . . . c30449_6cxr 1 . 20 . 2441 . 1 1 4 LEU CA C -0.810 -0.586 1.776 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CA . . . . . . . . . c30449_6cxr 1 . 20 . 2442 . 1 1 4 LEU CB C -0.344 -0.444 3.218 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CB . . . . . . . . . c30449_6cxr 1 . 20 . 2443 . 1 1 4 LEU CD1 C 1.927 0.555 3.510 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD1 . . . . . . . . . c30449_6cxr 1 . 20 . 2444 . 1 1 4 LEU CD2 C 1.345 -1.571 4.693 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD2 . . . . . . . . . c30449_6cxr 1 . 20 . 2445 . 1 1 4 LEU CG C 1.137 -0.738 3.436 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CG . . . . . . . . . c30449_6cxr 1 . 20 . 2446 . 1 1 4 LEU H H 0.453 1.044 1.326 . . . 1.0 . . . . . . . . . . . . A . 4 LEU H . . . . . . . . . c30449_6cxr 1 . 20 . 2447 . 1 1 4 LEU HA H -0.573 -1.577 1.433 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HA . . . . . . . . . c30449_6cxr 1 . 20 . 2448 . 1 1 4 LEU HB2 H -0.546 0.568 3.539 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB2 . . . . . . . . . c30449_6cxr 1 . 20 . 2449 . 1 1 4 LEU HB3 H -0.927 -1.119 3.832 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB3 . . . . . . . . . c30449_6cxr 1 . 20 . 2450 . 1 1 4 LEU HD11 H 2.099 0.813 4.544 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD11 . . . . . . . . . c30449_6cxr 1 . 20 . 2451 . 1 1 4 LEU HD12 H 1.367 1.342 3.029 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD12 . . . . . . . . . c30449_6cxr 1 . 20 . 2452 . 1 1 4 LEU HD13 H 2.873 0.426 3.007 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD13 . . . . . . . . . c30449_6cxr 1 . 20 . 2453 . 1 1 4 LEU HD21 H 0.432 -2.096 4.932 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD21 . . . . . . . . . c30449_6cxr 1 . 20 . 2454 . 1 1 4 LEU HD22 H 1.613 -0.923 5.514 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD22 . . . . . . . . . c30449_6cxr 1 . 20 . 2455 . 1 1 4 LEU HD23 H 2.137 -2.285 4.524 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD23 . . . . . . . . . c30449_6cxr 1 . 20 . 2456 . 1 1 4 LEU HG H 1.507 -1.300 2.592 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HG . . . . . . . . . c30449_6cxr 1 . 20 . 2457 . 1 1 4 LEU N N -0.114 0.361 0.917 . . . 1.0 . . . . . . . . . . . . A . 4 LEU N . . . . . . . . . c30449_6cxr 1 . 20 . 2458 . 1 1 4 LEU O O -2.824 0.596 2.278 . . . 1.0 . . . . . . . . . . . . A . 4 LEU O . . . . . . . . . c30449_6cxr 1 . 20 . 2459 . 1 1 5 ARG C C -4.979 -1.471 2.532 . . . 1.0 . . . . . . . . . . . . A . 5 ARG C . . . . . . . . . c30449_6cxr 1 . 20 . 2460 . 1 1 5 ARG CA C -4.465 -1.249 1.123 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CA . . . . . . . . . c30449_6cxr 1 . 20 . 2461 . 1 1 5 ARG CB C -5.031 -2.275 0.163 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CB . . . . . . . . . c30449_6cxr 1 . 20 . 2462 . 1 1 5 ARG CD C -4.013 -1.465 -1.963 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CD . . . . . . . . . c30449_6cxr 1 . 20 . 2463 . 1 1 5 ARG CG C -5.302 -1.684 -1.190 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CG . . . . . . . . . c30449_6cxr 1 . 20 . 2464 . 1 1 5 ARG CZ C -4.726 -0.271 -3.997 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CZ . . . . . . . . . c30449_6cxr 1 . 20 . 2465 . 1 1 5 ARG H H -2.582 -2.115 0.770 . . . 1.0 . . . . . . . . . . . . A . 5 ARG H . . . . . . . . . c30449_6cxr 1 . 20 . 2466 . 1 1 5 ARG HA H -4.741 -0.265 0.784 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HA . . . . . . . . . c30449_6cxr 1 . 20 . 2467 . 1 1 5 ARG HB2 H -4.320 -3.070 0.041 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HB2 . . . . . . . . . c30449_6cxr 1 . 20 . 2468 . 1 1 5 ARG HB3 H -5.953 -2.667 0.560 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HB3 . . . . . . . . . c30449_6cxr 1 . 20 . 2469 . 1 1 5 ARG HD2 H -3.204 -1.329 -1.255 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HD2 . . . . . . . . . c30449_6cxr 1 . 20 . 2470 . 1 1 5 ARG HD3 H -3.818 -2.338 -2.569 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HD3 . . . . . . . . . c30449_6cxr 1 . 20 . 2471 . 1 1 5 ARG HE H -3.641 0.525 -2.523 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HE . . . . . . . . . c30449_6cxr 1 . 20 . 2472 . 1 1 5 ARG HG2 H -5.940 -2.343 -1.738 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HG2 . . . . . . . . . c30449_6cxr 1 . 20 . 2473 . 1 1 5 ARG HG3 H -5.789 -0.741 -1.053 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HG3 . . . . . . . . . c30449_6cxr 1 . 20 . 2474 . 1 1 5 ARG HH11 H -5.328 -2.200 -3.903 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH11 . . . . . . . . . c30449_6cxr 1 . 20 . 2475 . 1 1 5 ARG HH12 H -5.819 -1.337 -5.321 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH12 . . . . . . . . . c30449_6cxr 1 . 20 . 2476 . 1 1 5 ARG HH21 H -4.286 1.663 -4.388 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH21 . . . . . . . . . c30449_6cxr 1 . 20 . 2477 . 1 1 5 ARG HH22 H -5.227 0.856 -5.598 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH22 . . . . . . . . . c30449_6cxr 1 . 20 . 2478 . 1 1 5 ARG N N -3.026 -1.335 1.153 . . . 1.0 . . . . . . . . . . . . A . 5 ARG N . . . . . . . . . c30449_6cxr 1 . 20 . 2479 . 1 1 5 ARG NE N -4.088 -0.291 -2.829 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NE . . . . . . . . . c30449_6cxr 1 . 20 . 2480 . 1 1 5 ARG NH1 N -5.341 -1.359 -4.443 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NH1 . . . . . . . . . c30449_6cxr 1 . 20 . 2481 . 1 1 5 ARG NH2 N -4.748 0.840 -4.720 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NH2 . . . . . . . . . c30449_6cxr 1 . 20 . 2482 . 1 1 5 ARG O O -5.148 -2.606 2.975 . . . 1.0 . . . . . . . . . . . . A . 5 ARG O . . . . . . . . . c30449_6cxr 1 . 20 . 2483 . 1 1 6 HIS C C -5.878 0.955 5.181 . . . 1.0 . . . . . . . . . . . . A . 6 HIS C . . . . . . . . . c30449_6cxr 1 . 20 . 2484 . 1 1 6 HIS CA C -5.613 -0.444 4.633 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CA . . . . . . . . . c30449_6cxr 1 . 20 . 2485 . 1 1 6 HIS CB C -4.530 -1.155 5.460 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CB . . . . . . . . . c30449_6cxr 1 . 20 . 2486 . 1 1 6 HIS CD2 C -5.362 -0.323 7.782 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CD2 . . . . . . . . . c30449_6cxr 1 . 20 . 2487 . 1 1 6 HIS CE1 C -4.899 -2.124 8.943 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CE1 . . . . . . . . . c30449_6cxr 1 . 20 . 2488 . 1 1 6 HIS CG C -4.819 -1.227 6.930 . . . 1.0 . . . . . . . . . . . . A . 6 HIS CG . . . . . . . . . c30449_6cxr 1 . 20 . 2489 . 1 1 6 HIS H H -4.987 0.500 2.851 . . . 1.0 . . . . . . . . . . . . A . 6 HIS H . . . . . . . . . c30449_6cxr 1 . 20 . 2490 . 1 1 6 HIS HA H -6.525 -1.019 4.674 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HA . . . . . . . . . c30449_6cxr 1 . 20 . 2491 . 1 1 6 HIS HB2 H -4.433 -2.171 5.098 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HB2 . . . . . . . . . c30449_6cxr 1 . 20 . 2492 . 1 1 6 HIS HB3 H -3.579 -0.637 5.323 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HB3 . . . . . . . . . c30449_6cxr 1 . 20 . 2493 . 1 1 6 HIS HD1 H -4.138 -3.175 7.362 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HD1 . . . . . . . . . c30449_6cxr 1 . 20 . 2494 . 1 1 6 HIS HD2 H -5.702 0.671 7.531 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HD2 . . . . . . . . . c30449_6cxr 1 . 20 . 2495 . 1 1 6 HIS HE1 H -4.799 -2.821 9.762 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HE1 . . . . . . . . . c30449_6cxr 1 . 20 . 2496 . 1 1 6 HIS HE2 H -5.803 -0.512 9.826 . . . 1.0 . . . . . . . . . . . . A . 6 HIS HE2 . . . . . . . . . c30449_6cxr 1 . 20 . 2497 . 1 1 6 HIS N N -5.176 -0.375 3.251 . . . 1.0 . . . . . . . . . . . . A . 6 HIS N . . . . . . . . . c30449_6cxr 1 . 20 . 2498 . 1 1 6 HIS ND1 N -4.540 -2.344 7.691 . . . 1.0 . . . . . . . . . . . . A . 6 HIS ND1 . . . . . . . . . c30449_6cxr 1 . 20 . 2499 . 1 1 6 HIS NE2 N -5.399 -0.906 9.024 . . . 1.0 . . . . . . . . . . . . A . 6 HIS NE2 . . . . . . . . . c30449_6cxr 1 . 20 . 2500 . 1 1 6 HIS O O -7.065 1.312 5.339 . . . 1.0 . . . . . . . . . . . . A . 6 HIS O . . . . . . . . . c30449_6cxr 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 c30449_6cxr _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 6cxr.mr . . 'MR format' 1 comment 'Not applicable' 'Not applicable' 0 c30449_6cxr 1 1 6cxr.mr . . XPLOR/CNS 2 distance NOE simple 139 c30449_6cxr 1 1 6cxr.mr . . 'MR format' 3 'nomenclature mapping' 'Not applicable' 'Not applicable' 0 c30449_6cxr 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 c30449_6cxr _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 . . . . c30449_6cxr 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 . . 1 1 3 3 PHE QD H . . . 1 1 3 3 PHE HB3 H . . . . . 2.8 1.8 2.8 . . . . . A . 3 PHE QD . . A . 3 PHE HB3 . . . 3 . HD# . . . . . 3 . HB1 . . c30449_6cxr 1 2 1 . . 1 1 3 3 PHE QD H . . . 1 1 3 3 PHE HB2 H . . . . . 2.8 1.8 2.8 . . . . . A . 3 PHE QD . . A . 3 PHE HB2 . . . 3 . HD# . . . . . 3 . HB2 . . c30449_6cxr 1 3 1 OR . 1 1 4 4 LEU H H . . . 1 1 5 5 ARG HD3 H . . . . . 5.0 1.8 5.0 . . . . . A . 4 LEU H . . A . 5 ARG HD3 . . . 4 . HN . . . . . 5 . HD# . . c30449_6cxr 1 3 2 OR . 1 1 4 4 LEU H H . . . 1 1 5 5 ARG HD2 H . . . . . 5.0 1.8 5.0 . . . . . A . 4 LEU H . . A . 5 ARG HD2 . . . 4 . HN . . . . . 5 . HD# . . c30449_6cxr 1 4 1 OR . 1 1 2 2 ARG HE H . . . 1 1 2 2 ARG HD3 H . . . . . 3.4 1.8 3.4 . . . . . A . 2 ARG HE . . A . 2 ARG HD3 . . . 2 . HE . . . . . 2 . HD# . . c30449_6cxr 1 4 2 OR . 1 1 2 2 ARG HE H . . . 1 1 2 2 ARG HD2 H . . . . . 3.4 1.8 3.4 . . . . . A . 2 ARG HE . . A . 2 ARG HD2 . . . 2 . HE . . . . . 2 . HD# . . c30449_6cxr 1 5 1 OR . 1 1 5 5 ARG HE H . . . 1 1 5 5 ARG HD3 H . . . . . 2.8 1.8 2.8 . . . . . A . 5 ARG HE . . A . 5 ARG HD3 . . . 5 . HE . . . . . 5 . HD# . . c30449_6cxr 1 5 2 OR . 1 1 5 5 ARG HD2 H . . . 1 1 5 5 ARG HE H . . . . . 2.8 1.8 2.8 . . . . . A . 5 ARG HD2 . . A . 5 ARG HE . . . 5 . HD# . . . . . 5 . HE . . c30449_6cxr 1 6 1 OR . 1 1 3 3 PHE H H . . . 1 1 2 2 ARG HB2 H . . . . . 5.0 1.8 5.0 . . . . . A . 3 PHE H . . A . 2 ARG HB2 . . . 3 . HN . . . . . 2 . HB# . . c30449_6cxr 1 6 2 OR . 1 1 3 3 PHE H H . . . 1 1 2 2 ARG HB3 H . . . . . 5.0 1.8 5.0 . . . . . A . 3 PHE H . . A . 2 ARG HB3 . . . 3 . HN . . . . . 2 . HB# . . c30449_6cxr 1 7 1 OR . 1 1 5 5 ARG H H . . . 1 1 4 4 LEU HB2 H . . . . . 5.0 1.8 5.0 . . . . . A . 5 ARG H . . A . 4 LEU HB2 . . . 5 . HN . . . . . 4 . HB# . . c30449_6cxr 1 7 2 OR . 1 1 5 5 ARG H H . . . 1 1 4 4 LEU HB3 H . . . . . 5.0 1.8 5.0 . . . . . A . 5 ARG H . . A . 4 LEU HB3 . . . 5 . HN . . . . . 4 . HB# . . c30449_6cxr 1 8 1 . . 1 1 3 3 PHE QD H . . . 1 1 3 3 PHE HB3 H . . . . . 2.8 1.8 2.8 . . . . . A . 3 PHE QD . . A . 3 PHE HB3 . . . 3 . HD# . . . . . 3 . HB1 . . c30449_6cxr 1 9 1 OR . 1 1 2 2 ARG HE H . . . 1 1 2 2 ARG HD3 H . . . . . 5.0 1.8 5.0 . . . . . A . 2 ARG HE . . A . 2 ARG HD3 . . . 2 . HE . . . . . 2 . HD# . . c30449_6cxr 1 9 2 OR . 1 1 2 2 ARG HE H . . . 1 1 2 2 ARG HD2 H . . . . . 5.0 1.8 5.0 . . . . . A . 2 ARG HE . . A . 2 ARG HD2 . . . 2 . HE . . . . . 2 . HD# . . c30449_6cxr 1 10 1 OR . 1 1 5 5 ARG HA H . . . 1 1 5 5 ARG HD3 H . . . . . 2.8 1.8 2.8 . . . . . A . 5 ARG HA . . A . 5 ARG HD3 . . . 5 . HA . . . . . 5 . HD# . . c30449_6cxr 1 10 2 OR . 1 1 5 5 ARG HD2 H . . . 1 1 5 5 ARG HA H . . . . . 2.8 1.8 2.8 . . . . . A . 5 ARG HD2 . . A . 5 ARG HA . . . 5 . HD# . . . . . 5 . HA . . c30449_6cxr 1 11 1 OR . 1 1 5 5 ARG HA H . . . 1 1 5 5 ARG HD3 H . . . . . 3.4 1.8 3.4 . . . . . A . 5 ARG HA . . A . 5 ARG HD3 . . . 5 . HA . . . . . 5 . HD# . . c30449_6cxr 1 11 2 OR . 1 1 5 5 ARG HD2 H . . . 1 1 5 5 ARG HA H . . . . . 3.4 1.8 3.4 . . . . . A . 5 ARG HD2 . . A . 5 ARG HA . . . 5 . HD# . . . . . 5 . HA . . c30449_6cxr 1 12 1 OR . 1 1 5 5 ARG HA H . . . 1 1 5 5 ARG HD3 H . . . . . 3.4 1.8 3.4 . . . . . A . 5 ARG HA . . A . 5 ARG HD3 . . . 5 . HA . . . . . 5 . HD# . . c30449_6cxr 1 12 2 OR . 1 1 5 5 ARG HD2 H . . . 1 1 5 5 ARG HA H . . . . . 3.4 1.8 3.4 . . . . . A . 5 ARG HD2 . . A . 5 ARG HA . . . 5 . HD# . . . . . 5 . HA . . c30449_6cxr 1 13 1 OR . 1 1 4 4 LEU H H . . . 1 1 2 2 ARG HB2 H . . . . . 5.0 1.8 5.0 . . . . . A . 4 LEU H . . A . 2 ARG HB2 . . . 4 . HN . . . . . 2 . HB# . . c30449_6cxr 1 13 2 OR . 1 1 4 4 LEU H H . . . 1 1 2 2 ARG HB3 H . . . . . 5.0 1.8 5.0 . . . . . A . 4 LEU H . . A . 2 ARG HB3 . . . 4 . HN . . . . . 2 . HB# . . c30449_6cxr 1 14 1 OR . 1 1 4 4 LEU H H . . . 1 1 4 4 LEU HB2 H . . . . . 3.4 1.8 3.4 . . . . . A . 4 LEU H . . A . 4 LEU HB2 . . . 4 . HN . . . . . 4 . HB# . . c30449_6cxr 1 14 2 OR . 1 1 4 4 LEU H H . . . 1 1 4 4 LEU HB3 H . . . . . 3.4 1.8 3.4 . . . . . A . 4 LEU H . . A . 4 LEU HB3 . . . 4 . HN . . . . . 4 . HB# . . c30449_6cxr 1 15 1 OR . 1 1 2 2 ARG HA H . . . 1 1 2 2 ARG HB2 H . . . . . 2.8 1.8 2.8 . . . . . A . 2 ARG HA . . A . 2 ARG HB2 . . . 2 . HA . . . . . 2 . HB# . . c30449_6cxr 1 15 2 OR . 1 1 2 2 ARG HB3 H . . . 1 1 2 2 ARG HA H . . . . . 2.8 1.8 2.8 . . . . . A . 2 ARG HB3 . . A . 2 ARG HA . . . 2 . HB# . . . . . 2 . HA . . c30449_6cxr 1 16 1 OR . 1 1 4 4 LEU HA H . . . 1 1 4 4 LEU HB2 H . . . . . 2.8 1.8 2.8 . . . . . A . 4 LEU HA . . A . 4 LEU HB2 . . . 4 . HA . . . . . 4 . HB# . . c30449_6cxr 1 16 2 OR . 1 1 4 4 LEU HB3 H . . . 1 1 4 4 LEU HA H . . . . . 2.8 1.8 2.8 . . . . . A . 4 LEU HB3 . . A . 4 LEU HA . . . 4 . HB# . . . . . 4 . HA . . c30449_6cxr 1 17 1 OR . 1 1 5 5 ARG HB2 H . . . 1 1 5 5 ARG HD3 H . . . . . 3.4 1.8 3.4 . . . . . A . 5 ARG HB2 . . A . 5 ARG HD3 . . . 5 . HB2 . . . . . 5 . HD# . . c30449_6cxr 1 17 2 OR . 1 1 5 5 ARG HD2 H . . . 1 1 5 5 ARG HB2 H . . . . . 3.4 1.8 3.4 . . . . . A . 5 ARG HD2 . . A . 5 ARG HB2 . . . 5 . HD# . . . . . 5 . HB2 . . c30449_6cxr 1 18 1 OR . 1 1 2 2 ARG HB3 H . . . 1 1 2 2 ARG HD3 H . . . . . 2.8 1.8 2.8 . . . . . A . 2 ARG HB3 . . A . 2 ARG HD3 . . . 2 . HB# . . . . . 2 . HD# . . c30449_6cxr 1 18 2 OR . 1 1 2 2 ARG HB2 H . . . 1 1 2 2 ARG HD3 H . . . . . 2.8 1.8 2.8 . . . . . A . 2 ARG HB2 . . A . 2 ARG HD3 . . . 2 . HB# . . . . . 2 . HD# . . c30449_6cxr 1 18 3 OR . 1 1 2 2 ARG HD2 H . . . 1 1 2 2 ARG HB2 H . . . . . 2.8 1.8 2.8 . . . . . A . 2 ARG HD2 . . A . 2 ARG HB2 . . . 2 . HD# . . . . . 2 . HB# . . c30449_6cxr 1 18 4 OR . 1 1 2 2 ARG HD2 H . . . 1 1 2 2 ARG HB3 H . . . . . 2.8 1.8 2.8 . . . . . A . 2 ARG HD2 . . A . 2 ARG HB3 . . . 2 . HD# . . . . . 2 . HB# . . c30449_6cxr 1 19 1 OR . 1 1 2 2 ARG HG2 H . . . 1 1 2 2 ARG HD3 H . . . . . 2.8 1.8 2.8 . . . . . A . 2 ARG HG2 . . A . 2 ARG HD3 . . . 2 . HG2 . . . . . 2 . HD# . . c30449_6cxr 1 19 2 OR . 1 1 2 2 ARG HD2 H . . . 1 1 2 2 ARG HG2 H . . . . . 2.8 1.8 2.8 . . . . . A . 2 ARG HD2 . . A . 2 ARG HG2 . . . 2 . HD# . . . . . 2 . HG2 . . c30449_6cxr 1 20 1 OR . 1 1 2 2 ARG HG2 H . . . 1 1 2 2 ARG HD3 H . . . . . 2.8 1.8 2.8 . . . . . A . 2 ARG HG2 . . A . 2 ARG HD3 . . . 2 . HG2 . . . . . 2 . HD# . . c30449_6cxr 1 20 2 OR . 1 1 2 2 ARG HD2 H . . . 1 1 2 2 ARG HG2 H . . . . . 2.8 1.8 2.8 . . . . . A . 2 ARG HD2 . . A . 2 ARG HG2 . . . 2 . HD# . . . . . 2 . HG2 . . c30449_6cxr 1 21 1 OR . 1 1 5 5 ARG HG3 H . . . 1 1 5 5 ARG HD3 H . . . . . 2.8 1.8 2.8 . . . . . A . 5 ARG HG3 . . A . 5 ARG HD3 . . . 5 . HG1 . . . . . 5 . HD# . . c30449_6cxr 1 21 2 OR . 1 1 5 5 ARG HD2 H . . . 1 1 5 5 ARG HG3 H . . . . . 2.8 1.8 2.8 . . . . . A . 5 ARG HD2 . . A . 5 ARG HG3 . . . 5 . HD# . . . . . 5 . HG1 . . c30449_6cxr 1 22 1 OR . 1 1 2 2 ARG HG3 H . . . 1 1 2 2 ARG HD3 H . . . . . 2.8 1.8 2.8 . . . . . A . 2 ARG HG3 . . A . 2 ARG HD3 . . . 2 . HG1 . . . . . 2 . HD# . . c30449_6cxr 1 22 2 OR . 1 1 2 2 ARG HD2 H . . . 1 1 2 2 ARG HG3 H . . . . . 2.8 1.8 2.8 . . . . . A . 2 ARG HD2 . . A . 2 ARG HG3 . . . 2 . HD# . . . . . 2 . HG1 . . c30449_6cxr 1 23 1 OR . 1 1 2 2 ARG HG3 H . . . 1 1 2 2 ARG HD3 H . . . . . 2.8 1.8 2.8 . . . . . A . 2 ARG HG3 . . A . 2 ARG HD3 . . . 2 . HG1 . . . . . 2 . HD# . . c30449_6cxr 1 23 2 OR . 1 1 2 2 ARG HD2 H . . . 1 1 2 2 ARG HG3 H . . . . . 2.8 1.8 2.8 . . . . . A . 2 ARG HD2 . . A . 2 ARG HG3 . . . 2 . HD# . . . . . 2 . HG1 . . c30449_6cxr 1 24 1 OR . 1 1 4 4 LEU MD2 H . . . 1 1 4 4 LEU HB2 H . . . . . 2.8 1.8 2.8 . . . . . A . 4 LEU MD2 . . A . 4 LEU HB2 . . . 4 . HD2# . . . . . 4 . HB# . . c30449_6cxr 1 24 2 OR . 1 1 4 4 LEU HB3 H . . . 1 1 4 4 LEU MD2 H . . . . . 2.8 1.8 2.8 . . . . . A . 4 LEU HB3 . . A . 4 LEU MD2 . . . 4 . HB# . . . . . 4 . HD2# . . c30449_6cxr 1 25 1 OR . 1 1 2 2 ARG HA H . . . 1 1 2 2 ARG HB2 H . . . . . 5.0 1.8 5.0 . . . . . A . 2 ARG HA . . A . 2 ARG HB2 . . . 2 . HA . . . . . 2 . HB# . . c30449_6cxr 1 25 2 OR . 1 1 2 2 ARG HB3 H . . . 1 1 2 2 ARG HA H . . . . . 5.0 1.8 5.0 . . . . . A . 2 ARG HB3 . . A . 2 ARG HA . . . 2 . HB# . . . . . 2 . HA . . c30449_6cxr 1 26 1 OR . 1 1 4 4 LEU HA H . . . 1 1 4 4 LEU HB2 H . . . . . 3.4 1.8 3.4 . . . . . A . 4 LEU HA . . A . 4 LEU HB2 . . . 4 . HA . . . . . 4 . HB# . . c30449_6cxr 1 26 2 OR . 1 1 4 4 LEU HB3 H . . . 1 1 4 4 LEU HA H . . . . . 3.4 1.8 3.4 . . . . . A . 4 LEU HB3 . . A . 4 LEU HA . . . 4 . HB# . . . . . 4 . HA . . c30449_6cxr 1 27 1 OR . 1 1 5 5 ARG HA H . . . 1 1 5 5 ARG HD3 H . . . . . 2.8 1.8 2.8 . . . . . A . 5 ARG HA . . A . 5 ARG HD3 . . . 5 . HA . . . . . 5 . HD# . . c30449_6cxr 1 27 2 OR . 1 1 5 5 ARG HD2 H . . . 1 1 5 5 ARG HA H . . . . . 2.8 1.8 2.8 . . . . . A . 5 ARG HD2 . . A . 5 ARG HA . . . 5 . HD# . . . . . 5 . HA . . c30449_6cxr 1 28 1 OR . 1 1 6 6 HIS HB3 H . . . 1 1 4 4 LEU HB2 H . . . . . 2.8 1.8 2.8 . . . . . A . 6 HIS HB3 . . A . 4 LEU HB2 . . . 6 . HB1 . . . . . 4 . HB# . . c30449_6cxr 1 28 2 OR . 1 1 4 4 LEU HB3 H . . . 1 1 6 6 HIS HB3 H . . . . . 2.8 1.8 2.8 . . . . . A . 4 LEU HB3 . . A . 6 HIS HB3 . . . 4 . HB# . . . . . 6 . HB1 . . c30449_6cxr 1 29 1 OR . 1 1 5 5 ARG HD2 H . . . 1 1 4 4 LEU HB2 H . . . . . 5.0 1.8 5.0 . . . . . A . 5 ARG HD2 . . A . 4 LEU HB2 . . . 5 . HD2 . . . . . 4 . HB# . . c30449_6cxr 1 29 2 OR . 1 1 5 5 ARG HD2 H . . . 1 1 4 4 LEU HB3 H . . . . . 5.0 1.8 5.0 . . . . . A . 5 ARG HD2 . . A . 4 LEU HB3 . . . 5 . HD2 . . . . . 4 . HB# . . c30449_6cxr 1 30 1 OR . 1 1 2 2 ARG HG3 H . . . 1 1 2 2 ARG HD3 H . . . . . 2.8 1.8 2.8 . . . . . A . 2 ARG HG3 . . A . 2 ARG HD3 . . . 2 . HG1 . . . . . 2 . HD# . . c30449_6cxr 1 30 2 OR . 1 1 2 2 ARG HD2 H . . . 1 1 2 2 ARG HG3 H . . . . . 2.8 1.8 2.8 . . . . . A . 2 ARG HD2 . . A . 2 ARG HG3 . . . 2 . HD# . . . . . 2 . HG1 . . c30449_6cxr 1 31 1 OR . 1 1 5 5 ARG HG3 H . . . 1 1 5 5 ARG HD3 H . . . . . 2.8 1.8 2.8 . . . . . A . 5 ARG HG3 . . A . 5 ARG HD3 . . . 5 . HG1 . . . . . 5 . HD# . . c30449_6cxr 1 31 2 OR . 1 1 5 5 ARG HD2 H . . . 1 1 5 5 ARG HG3 H . . . . . 2.8 1.8 2.8 . . . . . A . 5 ARG HD2 . . A . 5 ARG HG3 . . . 5 . HD# . . . . . 5 . HG1 . . c30449_6cxr 1 32 1 OR . 1 1 2 2 ARG HG2 H . . . 1 1 2 2 ARG HD3 H . . . . . 2.8 1.8 2.8 . . . . . A . 2 ARG HG2 . . A . 2 ARG HD3 . . . 2 . HG2 . . . . . 2 . HD# . . c30449_6cxr 1 32 2 OR . 1 1 2 2 ARG HD2 H . . . 1 1 2 2 ARG HG2 H . . . . . 2.8 1.8 2.8 . . . . . A . 2 ARG HD2 . . A . 2 ARG HG2 . . . 2 . HD# . . . . . 2 . HG2 . . c30449_6cxr 1 33 1 OR . 1 1 2 2 ARG HB3 H . . . 1 1 2 2 ARG HD3 H . . . . . 2.8 1.8 2.8 . . . . . A . 2 ARG HB3 . . A . 2 ARG HD3 . . . 2 . HB# . . . . . 2 . HD# . . c30449_6cxr 1 33 2 OR . 1 1 2 2 ARG HB2 H . . . 1 1 2 2 ARG HD3 H . . . . . 2.8 1.8 2.8 . . . . . A . 2 ARG HB2 . . A . 2 ARG HD3 . . . 2 . HB# . . . . . 2 . HD# . . c30449_6cxr 1 33 3 OR . 1 1 2 2 ARG HD2 H . . . 1 1 2 2 ARG HB2 H . . . . . 2.8 1.8 2.8 . . . . . A . 2 ARG HD2 . . A . 2 ARG HB2 . . . 2 . HD# . . . . . 2 . HB# . . c30449_6cxr 1 33 4 OR . 1 1 2 2 ARG HD2 H . . . 1 1 2 2 ARG HB3 H . . . . . 2.8 1.8 2.8 . . . . . A . 2 ARG HD2 . . A . 2 ARG HB3 . . . 2 . HD# . . . . . 2 . HB# . . c30449_6cxr 1 34 1 OR . 1 1 5 5 ARG HB2 H . . . 1 1 5 5 ARG HD3 H . . . . . 2.8 1.8 2.8 . . . . . A . 5 ARG HB2 . . A . 5 ARG HD3 . . . 5 . HB2 . . . . . 5 . HD# . . c30449_6cxr 1 34 2 OR . 1 1 5 5 ARG HD2 H . . . 1 1 5 5 ARG HB2 H . . . . . 2.8 1.8 2.8 . . . . . A . 5 ARG HD2 . . A . 5 ARG HB2 . . . 5 . HD# . . . . . 5 . HB2 . . c30449_6cxr 1 35 1 OR . 1 1 4 4 LEU MD2 H . . . 1 1 4 4 LEU HB2 H . . . . . 3.4 1.8 3.4 . . . . . A . 4 LEU MD2 . . A . 4 LEU HB2 . . . 4 . HD2# . . . . . 4 . HB# . . c30449_6cxr 1 35 2 OR . 1 1 4 4 LEU HB3 H . . . 1 1 4 4 LEU MD2 H . . . . . 3.4 1.8 3.4 . . . . . A . 4 LEU HB3 . . A . 4 LEU MD2 . . . 4 . HB# . . . . . 4 . HD2# . . c30449_6cxr 1 36 1 OR . 1 1 4 4 LEU MD1 H . . . 1 1 4 4 LEU HB2 H . . . . . 2.8 1.8 2.8 . . . . . A . 4 LEU MD1 . . A . 4 LEU HB2 . . . 4 . HD1# . . . . . 4 . HB# . . c30449_6cxr 1 36 2 OR . 1 1 4 4 LEU HB3 H . . . 1 1 4 4 LEU MD1 H . . . . . 2.8 1.8 2.8 . . . . . A . 4 LEU HB3 . . A . 4 LEU MD1 . . . 4 . HB# . . . . . 4 . HD1# . . c30449_6cxr 1 37 1 . . 1 1 3 3 PHE QD H . . . 1 1 3 3 PHE HB2 H . . . . . 3.4 1.8 3.4 . . . . . A . 3 PHE QD . . A . 3 PHE HB2 . . . 3 . HD# . . . . . 3 . HB2 . . c30449_6cxr 1 38 1 OR . 1 1 5 5 ARG HE H . . . 1 1 5 5 ARG HD3 H . . . . . 5.0 1.8 5.0 . . . . . A . 5 ARG HE . . A . 5 ARG HD3 . . . 5 . HE . . . . . 5 . HD# . . c30449_6cxr 1 38 2 OR . 1 1 5 5 ARG HD2 H . . . 1 1 5 5 ARG HE H . . . . . 5.0 1.8 5.0 . . . . . A . 5 ARG HD2 . . A . 5 ARG HE . . . 5 . HD# . . . . . 5 . HE . . c30449_6cxr 1 39 1 OR . 1 1 3 3 PHE H H . . . 1 1 2 2 ARG HB2 H . . . . . 5.0 1.8 5.0 . . . . . A . 3 PHE H . . A . 2 ARG HB2 . . . 3 . HN . . . . . 2 . HB# . . c30449_6cxr 1 39 2 OR . 1 1 3 3 PHE H H . . . 1 1 2 2 ARG HB3 H . . . . . 5.0 1.8 5.0 . . . . . A . 3 PHE H . . A . 2 ARG HB3 . . . 3 . HN . . . . . 2 . HB# . . c30449_6cxr 1 40 1 OR . 1 1 4 4 LEU HG H . . . 1 1 4 4 LEU HB2 H . . . . . 3.4 1.8 3.4 . . . . . A . 4 LEU HG . . A . 4 LEU HB2 . . . 4 . HG . . . . . 4 . HB# . . c30449_6cxr 1 40 2 OR . 1 1 4 4 LEU HB3 H . . . 1 1 4 4 LEU HG H . . . . . 3.4 1.8 3.4 . . . . . A . 4 LEU HB3 . . A . 4 LEU HG . . . 4 . HB# . . . . . 4 . HG . . c30449_6cxr 1 41 1 . . 1 1 3 3 PHE QD H . . . 1 1 3 3 PHE H H . . . . . 5.0 1.8 5.0 . . . . . A . 3 PHE QD . . A . 3 PHE H . . . 3 . HD# . . . . . 3 . HN . . c30449_6cxr 1 42 1 . . 1 1 3 3 PHE QD H . . . 1 1 3 3 PHE H H . . . . . 5.0 1.8 5.0 . . . . . A . 3 PHE QD . . A . 3 PHE H . . . 3 . HD# . . . . . 3 . HN . . c30449_6cxr 1 43 1 . . 1 1 3 3 PHE HZ H . . . 1 1 3 3 PHE QE H . . . . . 2.8 1.8 2.8 . . . . . A . 3 PHE HZ . . A . 3 PHE QE . . . 3 . HZ . . . . . 3 . HE# . . c30449_6cxr 1 44 1 . . 1 1 3 3 PHE HZ H . . . 1 1 3 3 PHE QE H . . . . . 2.8 1.8 2.8 . . . . . A . 3 PHE HZ . . A . 3 PHE QE . . . 3 . HZ . . . . . 3 . HE# . . c30449_6cxr 1 45 1 OR . 1 1 2 2 ARG HE H . . . 1 1 2 2 ARG HB2 H . . . . . 5.0 1.8 5.0 . . . . . A . 2 ARG HE . . A . 2 ARG HB2 . . . 2 . HE . . . . . 2 . HB# . . c30449_6cxr 1 45 2 OR . 1 1 2 2 ARG HE H . . . 1 1 2 2 ARG HB3 H . . . . . 5.0 1.8 5.0 . . . . . A . 2 ARG HE . . A . 2 ARG HB3 . . . 2 . HE . . . . . 2 . HB# . . c30449_6cxr 1 46 1 . . 1 1 1 1 HIS HD2 H . . . 1 1 1 1 HIS HB3 H . . . . . 5.0 1.8 5.0 . . . . . A . 1 HIS HD2 . . A . 1 HIS HB3 . . . 1 . HD2 . . . . . 1 . HB1 . . c30449_6cxr 1 47 1 . . 1 1 1 1 HIS HD2 H . . . 1 1 1 1 HIS HB2 H . . . . . 2.8 1.8 2.8 . . . . . A . 1 HIS HD2 . . A . 1 HIS HB2 . . . 1 . HD2 . . . . . 1 . HB2 . . c30449_6cxr 1 48 1 . . 1 1 1 1 HIS HD2 H . . . 1 1 1 1 HIS HB2 H . . . . . 3.4 1.8 3.4 . . . . . A . 1 HIS HD2 . . A . 1 HIS HB2 . . . 1 . HD2 . . . . . 1 . HB2 . . c30449_6cxr 1 49 1 . . 1 1 1 1 HIS HD2 H . . . 1 1 1 1 HIS HE1 H . . . . . 5.0 1.8 5.0 . . . . . A . 1 HIS HD2 . . A . 1 HIS HE1 . . . 1 . HD2 . . . . . 1 . HE1 . . c30449_6cxr 1 50 1 . . 1 1 2 2 ARG HA H . . . 1 1 2 2 ARG HD3 H . . . . . 5.0 1.8 5.0 . . . . . A . 2 ARG HA . . A . 2 ARG HD3 . . . 2 . HA . . . . . 2 . HD1 . . c30449_6cxr 1 51 1 . . 1 1 2 2 ARG HE H . . . 1 1 2 2 ARG HG3 H . . . . . 5.0 1.8 5.0 . . . . . A . 2 ARG HE . . A . 2 ARG HG3 . . . 2 . HE . . . . . 2 . HG1 . . c30449_6cxr 1 52 1 . . 1 1 2 2 ARG HA H . . . 1 1 2 2 ARG HG2 H . . . . . 3.4 1.8 3.4 . . . . . A . 2 ARG HA . . A . 2 ARG HG2 . . . 2 . HA . . . . . 2 . HG2 . . c30449_6cxr 1 53 1 . . 1 1 2 2 ARG HA H . . . 1 1 2 2 ARG HG2 H . . . . . 5.0 1.8 5.0 . . . . . A . 2 ARG HA . . A . 2 ARG HG2 . . . 2 . HA . . . . . 2 . HG2 . . c30449_6cxr 1 54 1 . . 1 1 2 2 ARG HE H . . . 1 1 2 2 ARG HG2 H . . . . . 5.0 1.8 5.0 . . . . . A . 2 ARG HE . . A . 2 ARG HG2 . . . 2 . HE . . . . . 2 . HG2 . . c30449_6cxr 1 55 1 . . 1 1 2 2 ARG HG2 H . . . 1 1 2 2 ARG HG3 H . . . . . 2.8 1.8 2.8 . . . . . A . 2 ARG HG2 . . A . 2 ARG HG3 . . . 2 . HG2 . . . . . 2 . HG1 . . c30449_6cxr 1 56 1 . . 1 1 2 2 ARG HG2 H . . . 1 1 2 2 ARG HG3 H . . . . . 3.4 1.8 3.4 . . . . . A . 2 ARG HG2 . . A . 2 ARG HG3 . . . 2 . HG2 . . . . . 2 . HG1 . . c30449_6cxr 1 57 1 . . 1 1 3 3 PHE H H . . . 1 1 1 1 HIS HB3 H . . . . . 5.0 1.8 5.0 . . . . . A . 3 PHE H . . A . 1 HIS HB3 . . . 3 . HN . . . . . 1 . HB1 . . c30449_6cxr 1 58 1 . . 1 1 3 3 PHE HZ H . . . 1 1 1 1 HIS HB3 H . . . . . 5.0 1.8 5.0 . . . . . A . 3 PHE HZ . . A . 1 HIS HB3 . . . 3 . HZ . . . . . 1 . HB1 . . c30449_6cxr 1 59 1 . . 1 1 3 3 PHE H H . . . 1 1 2 2 ARG HA H . . . . . 2.8 1.8 2.8 . . . . . A . 3 PHE H . . A . 2 ARG HA . . . 3 . HN . . . . . 2 . HA . . c30449_6cxr 1 60 1 . . 1 1 3 3 PHE H H . . . 1 1 2 2 ARG HA H . . . . . 3.4 1.8 3.4 . . . . . A . 3 PHE H . . A . 2 ARG HA . . . 3 . HN . . . . . 2 . HA . . c30449_6cxr 1 61 1 . . 1 1 3 3 PHE HB3 H . . . 1 1 3 3 PHE HA H . . . . . 2.8 1.8 2.8 . . . . . A . 3 PHE HB3 . . A . 3 PHE HA . . . 3 . HB1 . . . . . 3 . HA . . c30449_6cxr 1 62 1 . . 1 1 3 3 PHE HB3 H . . . 1 1 3 3 PHE HA H . . . . . 5.0 1.8 5.0 . . . . . A . 3 PHE HB3 . . A . 3 PHE HA . . . 3 . HB1 . . . . . 3 . HA . . c30449_6cxr 1 63 1 . . 1 1 3 3 PHE HB2 H . . . 1 1 3 3 PHE HA H . . . . . 2.8 1.8 2.8 . . . . . A . 3 PHE HB2 . . A . 3 PHE HA . . . 3 . HB2 . . . . . 3 . HA . . c30449_6cxr 1 64 1 . . 1 1 3 3 PHE HB3 H . . . 1 1 3 3 PHE HB2 H . . . . . 3.4 1.8 3.4 . . . . . A . 3 PHE HB3 . . A . 3 PHE HB2 . . . 3 . HB1 . . . . . 3 . HB2 . . c30449_6cxr 1 65 1 . . 1 1 3 3 PHE HB3 H . . . 1 1 3 3 PHE HB2 H . . . . . 2.8 1.8 2.8 . . . . . A . 3 PHE HB3 . . A . 3 PHE HB2 . . . 3 . HB1 . . . . . 3 . HB2 . . c30449_6cxr 1 66 1 . . 1 1 3 3 PHE H H . . . 1 1 3 3 PHE HA H . . . . . 3.4 1.8 3.4 . . . . . A . 3 PHE H . . A . 3 PHE HA . . . 3 . HN . . . . . 3 . HA . . c30449_6cxr 1 67 1 . . 1 1 3 3 PHE HB3 H . . . 1 1 3 3 PHE H H . . . . . 2.8 1.8 2.8 . . . . . A . 3 PHE HB3 . . A . 3 PHE H . . . 3 . HB1 . . . . . 3 . HN . . c30449_6cxr 1 68 1 . . 1 1 3 3 PHE HB2 H . . . 1 1 3 3 PHE H H . . . . . 3.4 1.8 3.4 . . . . . A . 3 PHE HB2 . . A . 3 PHE H . . . 3 . HB2 . . . . . 3 . HN . . c30449_6cxr 1 69 1 . . 1 1 3 3 PHE HB2 H . . . 1 1 3 3 PHE H H . . . . . 5.0 1.8 5.0 . . . . . A . 3 PHE HB2 . . A . 3 PHE H . . . 3 . HB2 . . . . . 3 . HN . . c30449_6cxr 1 70 1 . . 1 1 2 2 ARG HG3 H . . . 1 1 4 4 LEU MD1 H . . . . . 2.8 1.8 2.8 . . . . . A . 2 ARG HG3 . . A . 4 LEU MD1 . . . 2 . HG1 . . . . . 4 . HD1# . . c30449_6cxr 1 71 1 . . 1 1 4 4 LEU H H . . . 1 1 3 3 PHE HA H . . . . . 2.8 1.8 2.8 . . . . . A . 4 LEU H . . A . 3 PHE HA . . . 4 . HN . . . . . 3 . HA . . c30449_6cxr 1 72 1 . . 1 1 3 3 PHE HB3 H . . . 1 1 4 4 LEU H H . . . . . 5.0 1.8 5.0 . . . . . A . 3 PHE HB3 . . A . 4 LEU H . . . 3 . HB1 . . . . . 4 . HN . . c30449_6cxr 1 73 1 . . 1 1 3 3 PHE HB3 H . . . 1 1 4 4 LEU H H . . . . . 5.0 1.8 5.0 . . . . . A . 3 PHE HB3 . . A . 4 LEU H . . . 3 . HB1 . . . . . 4 . HN . . c30449_6cxr 1 74 1 . . 1 1 3 3 PHE HB2 H . . . 1 1 4 4 LEU H H . . . . . 5.0 1.8 5.0 . . . . . A . 3 PHE HB2 . . A . 4 LEU H . . . 3 . HB2 . . . . . 4 . HN . . c30449_6cxr 1 75 1 . . 1 1 3 3 PHE HB2 H . . . 1 1 4 4 LEU H H . . . . . 5.0 1.8 5.0 . . . . . A . 3 PHE HB2 . . A . 4 LEU H . . . 3 . HB2 . . . . . 4 . HN . . c30449_6cxr 1 76 1 . . 1 1 4 4 LEU HA H . . . 1 1 4 4 LEU MD1 H . . . . . 5.0 1.8 5.0 . . . . . A . 4 LEU HA . . A . 4 LEU MD1 . . . 4 . HA . . . . . 4 . HD1# . . c30449_6cxr 1 77 1 . . 1 1 4 4 LEU HA H . . . 1 1 4 4 LEU MD1 H . . . . . 3.4 1.8 3.4 . . . . . A . 4 LEU HA . . A . 4 LEU MD1 . . . 4 . HA . . . . . 4 . HD1# . . c30449_6cxr 1 78 1 . . 1 1 4 4 LEU HA H . . . 1 1 4 4 LEU MD2 H . . . . . 5.0 1.8 5.0 . . . . . A . 4 LEU HA . . A . 4 LEU MD2 . . . 4 . HA . . . . . 4 . HD2# . . c30449_6cxr 1 79 1 . . 1 1 4 4 LEU HA H . . . 1 1 4 4 LEU MD2 H . . . . . 5.0 1.8 5.0 . . . . . A . 4 LEU HA . . A . 4 LEU MD2 . . . 4 . HA . . . . . 4 . HD2# . . c30449_6cxr 1 80 1 . . 1 1 4 4 LEU HA H . . . 1 1 4 4 LEU HG H . . . . . 3.4 1.8 3.4 . . . . . A . 4 LEU HA . . A . 4 LEU HG . . . 4 . HA . . . . . 4 . HG . . c30449_6cxr 1 81 1 . . 1 1 4 4 LEU MD1 H . . . 1 1 4 4 LEU HG H . . . . . 2.8 1.8 2.8 . . . . . A . 4 LEU MD1 . . A . 4 LEU HG . . . 4 . HD1# . . . . . 4 . HG . . c30449_6cxr 1 82 1 . . 1 1 4 4 LEU MD2 H . . . 1 1 4 4 LEU HG H . . . . . 2.8 1.8 2.8 . . . . . A . 4 LEU MD2 . . A . 4 LEU HG . . . 4 . HD2# . . . . . 4 . HG . . c30449_6cxr 1 83 1 . . 1 1 4 4 LEU H H . . . 1 1 4 4 LEU HA H . . . . . 2.8 1.8 2.8 . . . . . A . 4 LEU H . . A . 4 LEU HA . . . 4 . HN . . . . . 4 . HA . . c30449_6cxr 1 84 1 . . 1 1 4 4 LEU H H . . . 1 1 4 4 LEU MD1 H . . . . . 5.0 1.8 5.0 . . . . . A . 4 LEU H . . A . 4 LEU MD1 . . . 4 . HN . . . . . 4 . HD1# . . c30449_6cxr 1 85 1 . . 1 1 4 4 LEU H H . . . 1 1 4 4 LEU MD2 H . . . . . 5.0 1.8 5.0 . . . . . A . 4 LEU H . . A . 4 LEU MD2 . . . 4 . HN . . . . . 4 . HD2# . . c30449_6cxr 1 86 1 . . 1 1 4 4 LEU H H . . . 1 1 4 4 LEU HG H . . . . . 2.8 1.8 2.8 . . . . . A . 4 LEU H . . A . 4 LEU HG . . . 4 . HN . . . . . 4 . HG . . c30449_6cxr 1 87 1 . . 1 1 4 4 LEU H H . . . 1 1 4 4 LEU HG H . . . . . 3.4 1.8 3.4 . . . . . A . 4 LEU H . . A . 4 LEU HG . . . 4 . HN . . . . . 4 . HG . . c30449_6cxr 1 88 1 . . 1 1 5 5 ARG HA H . . . 1 1 4 4 LEU HA H . . . . . 5.0 1.8 5.0 . . . . . A . 5 ARG HA . . A . 4 LEU HA . . . 5 . HA . . . . . 4 . HA . . c30449_6cxr 1 89 1 . . 1 1 5 5 ARG HD2 H . . . 1 1 4 4 LEU HA H . . . . . 5.0 1.8 5.0 . . . . . A . 5 ARG HD2 . . A . 4 LEU HA . . . 5 . HD2 . . . . . 4 . HA . . c30449_6cxr 1 90 1 . . 1 1 5 5 ARG H H . . . 1 1 4 4 LEU HA H . . . . . 2.8 1.8 2.8 . . . . . A . 5 ARG H . . A . 4 LEU HA . . . 5 . HN . . . . . 4 . HA . . c30449_6cxr 1 91 1 . . 1 1 5 5 ARG H H . . . 1 1 4 4 LEU HA H . . . . . 2.8 1.8 2.8 . . . . . A . 5 ARG H . . A . 4 LEU HA . . . 5 . HN . . . . . 4 . HA . . c30449_6cxr 1 92 1 . . 1 1 5 5 ARG HA H . . . 1 1 5 5 ARG HB3 H . . . . . 2.8 1.8 2.8 . . . . . A . 5 ARG HA . . A . 5 ARG HB3 . . . 5 . HA . . . . . 5 . HB1 . . c30449_6cxr 1 93 1 . . 1 1 5 5 ARG HA H . . . 1 1 5 5 ARG HB3 H . . . . . 3.4 1.8 3.4 . . . . . A . 5 ARG HA . . A . 5 ARG HB3 . . . 5 . HA . . . . . 5 . HB1 . . c30449_6cxr 1 94 1 . . 1 1 5 5 ARG HA H . . . 1 1 5 5 ARG HB2 H . . . . . 3.4 1.8 3.4 . . . . . A . 5 ARG HA . . A . 5 ARG HB2 . . . 5 . HA . . . . . 5 . HB2 . . c30449_6cxr 1 95 1 . . 1 1 5 5 ARG HA H . . . 1 1 5 5 ARG HB2 H . . . . . 3.4 1.8 3.4 . . . . . A . 5 ARG HA . . A . 5 ARG HB2 . . . 5 . HA . . . . . 5 . HB2 . . c30449_6cxr 1 96 1 . . 1 1 5 5 ARG HB2 H . . . 1 1 5 5 ARG HB3 H . . . . . 2.8 1.8 2.8 . . . . . A . 5 ARG HB2 . . A . 5 ARG HB3 . . . 5 . HB2 . . . . . 5 . HB1 . . c30449_6cxr 1 97 1 . . 1 1 5 5 ARG HE H . . . 1 1 5 5 ARG HB3 H . . . . . 5.0 1.8 5.0 . . . . . A . 5 ARG HE . . A . 5 ARG HB3 . . . 5 . HE . . . . . 5 . HB1 . . c30449_6cxr 1 98 1 . . 1 1 5 5 ARG HE H . . . 1 1 5 5 ARG HB2 H . . . . . 5.0 1.8 5.0 . . . . . A . 5 ARG HE . . A . 5 ARG HB2 . . . 5 . HE . . . . . 5 . HB2 . . c30449_6cxr 1 99 1 . . 1 1 5 5 ARG HA H . . . 1 1 5 5 ARG HG3 H . . . . . 3.4 1.8 3.4 . . . . . A . 5 ARG HA . . A . 5 ARG HG3 . . . 5 . HA . . . . . 5 . HG1 . . c30449_6cxr 1 100 1 . . 1 1 5 5 ARG HA H . . . 1 1 5 5 ARG HG3 H . . . . . 3.4 1.8 3.4 . . . . . A . 5 ARG HA . . A . 5 ARG HG3 . . . 5 . HA . . . . . 5 . HG1 . . c30449_6cxr 1 101 1 . . 1 1 5 5 ARG HB2 H . . . 1 1 5 5 ARG HG3 H . . . . . 3.4 1.8 3.4 . . . . . A . 5 ARG HB2 . . A . 5 ARG HG3 . . . 5 . HB2 . . . . . 5 . HG1 . . c30449_6cxr 1 102 1 . . 1 1 5 5 ARG HB2 H . . . 1 1 5 5 ARG HG3 H . . . . . 2.8 1.8 2.8 . . . . . A . 5 ARG HB2 . . A . 5 ARG HG3 . . . 5 . HB2 . . . . . 5 . HG1 . . c30449_6cxr 1 103 1 . . 1 1 5 5 ARG HB2 H . . . 1 1 5 5 ARG HG3 H . . . . . 3.4 1.8 3.4 . . . . . A . 5 ARG HB2 . . A . 5 ARG HG3 . . . 5 . HB2 . . . . . 5 . HG1 . . c30449_6cxr 1 104 1 . . 1 1 5 5 ARG HE H . . . 1 1 5 5 ARG HG3 H . . . . . 5.0 1.8 5.0 . . . . . A . 5 ARG HE . . A . 5 ARG HG3 . . . 5 . HE . . . . . 5 . HG1 . . c30449_6cxr 1 105 1 . . 1 1 5 5 ARG HA H . . . 1 1 5 5 ARG HG2 H . . . . . 3.4 1.8 3.4 . . . . . A . 5 ARG HA . . A . 5 ARG HG2 . . . 5 . HA . . . . . 5 . HG2 . . c30449_6cxr 1 106 1 . . 1 1 5 5 ARG HA H . . . 1 1 5 5 ARG HG2 H . . . . . 3.4 1.8 3.4 . . . . . A . 5 ARG HA . . A . 5 ARG HG2 . . . 5 . HA . . . . . 5 . HG2 . . c30449_6cxr 1 107 1 . . 1 1 5 5 ARG H H . . . 1 1 5 5 ARG HA H . . . . . 2.8 1.8 2.8 . . . . . A . 5 ARG H . . A . 5 ARG HA . . . 5 . HN . . . . . 5 . HA . . c30449_6cxr 1 108 1 . . 1 1 5 5 ARG H H . . . 1 1 5 5 ARG HA H . . . . . 3.4 1.8 3.4 . . . . . A . 5 ARG H . . A . 5 ARG HA . . . 5 . HN . . . . . 5 . HA . . c30449_6cxr 1 109 1 . . 1 1 5 5 ARG H H . . . 1 1 5 5 ARG HB3 H . . . . . 3.4 1.8 3.4 . . . . . A . 5 ARG H . . A . 5 ARG HB3 . . . 5 . HN . . . . . 5 . HB1 . . c30449_6cxr 1 110 1 . . 1 1 5 5 ARG H H . . . 1 1 5 5 ARG HB3 H . . . . . 3.4 1.8 3.4 . . . . . A . 5 ARG H . . A . 5 ARG HB3 . . . 5 . HN . . . . . 5 . HB1 . . c30449_6cxr 1 111 1 . . 1 1 5 5 ARG H H . . . 1 1 5 5 ARG HB2 H . . . . . 3.4 1.8 3.4 . . . . . A . 5 ARG H . . A . 5 ARG HB2 . . . 5 . HN . . . . . 5 . HB2 . . c30449_6cxr 1 112 1 . . 1 1 5 5 ARG H H . . . 1 1 5 5 ARG HB2 H . . . . . 5.0 1.8 5.0 . . . . . A . 5 ARG H . . A . 5 ARG HB2 . . . 5 . HN . . . . . 5 . HB2 . . c30449_6cxr 1 113 1 . . 1 1 5 5 ARG H H . . . 1 1 5 5 ARG HG3 H . . . . . 5.0 1.8 5.0 . . . . . A . 5 ARG H . . A . 5 ARG HG3 . . . 5 . HN . . . . . 5 . HG1 . . c30449_6cxr 1 114 1 . . 1 1 5 5 ARG H H . . . 1 1 5 5 ARG HG2 H . . . . . 5.0 1.8 5.0 . . . . . A . 5 ARG H . . A . 5 ARG HG2 . . . 5 . HN . . . . . 5 . HG2 . . c30449_6cxr 1 115 1 . . 1 1 5 5 ARG H H . . . 1 1 5 5 ARG HG2 H . . . . . 5.0 1.8 5.0 . . . . . A . 5 ARG H . . A . 5 ARG HG2 . . . 5 . HN . . . . . 5 . HG2 . . c30449_6cxr 1 116 1 . . 1 1 4 4 LEU HA H . . . 1 1 6 6 HIS HB3 H . . . . . 5.0 1.8 5.0 . . . . . A . 4 LEU HA . . A . 6 HIS HB3 . . . 4 . HA . . . . . 6 . HB1 . . c30449_6cxr 1 117 1 . . 1 1 6 6 HIS HB2 H . . . 1 1 4 4 LEU HB2 H . . . . . 5.0 1.8 5.0 . . . . . A . 6 HIS HB2 . . A . 4 LEU HB2 . . . 6 . HB2 . . . . . 4 . HB2 . . c30449_6cxr 1 118 1 . . 1 1 5 5 ARG HA H . . . 1 1 6 6 HIS HB3 H . . . . . 5.0 1.8 5.0 . . . . . A . 5 ARG HA . . A . 6 HIS HB3 . . . 5 . HA . . . . . 6 . HB1 . . c30449_6cxr 1 119 1 . . 1 1 5 5 ARG HA H . . . 1 1 6 6 HIS H H . . . . . 2.8 1.8 2.8 . . . . . A . 5 ARG HA . . A . 6 HIS H . . . 5 . HA . . . . . 6 . HN . . c30449_6cxr 1 120 1 . . 1 1 5 5 ARG HA H . . . 1 1 6 6 HIS H H . . . . . 3.4 1.8 3.4 . . . . . A . 5 ARG HA . . A . 6 HIS H . . . 5 . HA . . . . . 6 . HN . . c30449_6cxr 1 121 1 . . 1 1 5 5 ARG HB3 H . . . 1 1 6 6 HIS H H . . . . . 5.0 1.8 5.0 . . . . . A . 5 ARG HB3 . . A . 6 HIS H . . . 5 . HB1 . . . . . 6 . HN . . c30449_6cxr 1 122 1 . . 1 1 5 5 ARG HB2 H . . . 1 1 6 6 HIS H H . . . . . 5.0 1.8 5.0 . . . . . A . 5 ARG HB2 . . A . 6 HIS H . . . 5 . HB2 . . . . . 6 . HN . . c30449_6cxr 1 123 1 . . 1 1 5 5 ARG H H . . . 1 1 6 6 HIS H H . . . . . 5.0 1.8 5.0 . . . . . A . 5 ARG H . . A . 6 HIS H . . . 5 . HN . . . . . 6 . HN . . c30449_6cxr 1 124 1 . . 1 1 6 6 HIS HB2 H . . . 1 1 6 6 HIS HA H . . . . . 5.0 1.8 5.0 . . . . . A . 6 HIS HB2 . . A . 6 HIS HA . . . 6 . HB2 . . . . . 6 . HA . . c30449_6cxr 1 125 1 . . 1 1 6 6 HIS HB3 H . . . 1 1 6 6 HIS HB2 H . . . . . 2.8 1.8 2.8 . . . . . A . 6 HIS HB3 . . A . 6 HIS HB2 . . . 6 . HB1 . . . . . 6 . HB2 . . c30449_6cxr 1 126 1 . . 1 1 6 6 HIS HB3 H . . . 1 1 6 6 HIS HB2 H . . . . . 2.8 1.8 2.8 . . . . . A . 6 HIS HB3 . . A . 6 HIS HB2 . . . 6 . HB1 . . . . . 6 . HB2 . . c30449_6cxr 1 127 1 . . 1 1 6 6 HIS HA H . . . 1 1 6 6 HIS HD2 H . . . . . 3.4 1.8 3.4 . . . . . A . 6 HIS HA . . A . 6 HIS HD2 . . . 6 . HA . . . . . 6 . HD2 . . c30449_6cxr 1 128 1 . . 1 1 6 6 HIS HA H . . . 1 1 6 6 HIS HD2 H . . . . . 5.0 1.8 5.0 . . . . . A . 6 HIS HA . . A . 6 HIS HD2 . . . 6 . HA . . . . . 6 . HD2 . . c30449_6cxr 1 129 1 . . 1 1 6 6 HIS HB3 H . . . 1 1 6 6 HIS HD2 H . . . . . 3.4 1.8 3.4 . . . . . A . 6 HIS HB3 . . A . 6 HIS HD2 . . . 6 . HB1 . . . . . 6 . HD2 . . c30449_6cxr 1 130 1 . . 1 1 6 6 HIS HB3 H . . . 1 1 6 6 HIS HD2 H . . . . . 5.0 1.8 5.0 . . . . . A . 6 HIS HB3 . . A . 6 HIS HD2 . . . 6 . HB1 . . . . . 6 . HD2 . . c30449_6cxr 1 131 1 . . 1 1 6 6 HIS HB2 H . . . 1 1 6 6 HIS HD2 H . . . . . 5.0 1.8 5.0 . . . . . A . 6 HIS HB2 . . A . 6 HIS HD2 . . . 6 . HB2 . . . . . 6 . HD2 . . c30449_6cxr 1 132 1 . . 1 1 6 6 HIS HB2 H . . . 1 1 6 6 HIS HD2 H . . . . . 5.0 1.8 5.0 . . . . . A . 6 HIS HB2 . . A . 6 HIS HD2 . . . 6 . HB2 . . . . . 6 . HD2 . . c30449_6cxr 1 133 1 . . 1 1 6 6 HIS HB2 H . . . 1 1 6 6 HIS HD2 H . . . . . 5.0 1.8 5.0 . . . . . A . 6 HIS HB2 . . A . 6 HIS HD2 . . . 6 . HB2 . . . . . 6 . HD2 . . c30449_6cxr 1 134 1 . . 1 1 6 6 HIS H H . . . 1 1 6 6 HIS HA H . . . . . 3.4 1.8 3.4 . . . . . A . 6 HIS H . . A . 6 HIS HA . . . 6 . HN . . . . . 6 . HA . . c30449_6cxr 1 135 1 . . 1 1 6 6 HIS HB3 H . . . 1 1 6 6 HIS H H . . . . . 3.4 1.8 3.4 . . . . . A . 6 HIS HB3 . . A . 6 HIS H . . . 6 . HB1 . . . . . 6 . HN . . c30449_6cxr 1 136 1 . . 1 1 6 6 HIS HB3 H . . . 1 1 6 6 HIS H H . . . . . 5.0 1.8 5.0 . . . . . A . 6 HIS HB3 . . A . 6 HIS H . . . 6 . HB1 . . . . . 6 . HN . . c30449_6cxr 1 137 1 . . 1 1 6 6 HIS HB2 H . . . 1 1 6 6 HIS H H . . . . . 5.0 1.8 5.0 . . . . . A . 6 HIS HB2 . . A . 6 HIS H . . . 6 . HB2 . . . . . 6 . HN . . c30449_6cxr 1 138 1 . . 1 1 6 6 HIS HB2 H . . . 1 1 6 6 HIS H H . . . . . 5.0 1.8 5.0 . . . . . A . 6 HIS HB2 . . A . 6 HIS H . . . 6 . HB2 . . . . . 6 . HN . . c30449_6cxr 1 139 1 . . 1 1 6 6 HIS HB2 H . . . 1 1 6 6 HIS H H . . . . . 5.0 1.8 5.0 . . . . . A . 6 HIS HB2 . . A . 6 HIS H . . . 6 . HB2 . . . . . 6 . HN . . c30449_6cxr 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 noe5.12 2 68 2 81 c30449_6cxr 1 2 noe5.13 3 68 3 81 c30449_6cxr 1 3 noe5.20 4 67 4 81 c30449_6cxr 1 4 noe5.26 5 67 5 81 c30449_6cxr 1 5 noe5.28 6 67 6 81 c30449_6cxr 1 6 noe5.40 7 67 7 81 c30449_6cxr 1 7 noe5.44 8 67 8 81 c30449_6cxr 1 8 noe5.60 9 68 9 81 c30449_6cxr 1 9 noe5.64 10 67 10 81 c30449_6cxr 1 10 noe5.67 11 67 11 81 c30449_6cxr 1 11 noe5.70 12 67 12 81 c30449_6cxr 1 12 noe5.71 13 67 13 81 c30449_6cxr 1 13 noe5.102 14 67 14 82 c30449_6cxr 1 14 noe5.107 15 67 15 82 c30449_6cxr 1 15 noe5.122 16 67 16 82 c30449_6cxr 1 16 noe5.128 17 67 17 82 c30449_6cxr 1 17 noe5.136 18 68 18 82 c30449_6cxr 1 18 noe5.140 19 68 19 82 c30449_6cxr 1 19 noe5.144 20 68 20 82 c30449_6cxr 1 20 noe5.145 21 68 21 82 c30449_6cxr 1 21 noe5.146 22 68 22 82 c30449_6cxr 1 22 noe5.148 23 68 23 82 c30449_6cxr 1 23 noe5.150 24 68 24 82 c30449_6cxr 1 24 noe5.155 25 69 25 82 c30449_6cxr 1 25 noe5.164 26 67 26 82 c30449_6cxr 1 26 noe5.166 27 67 27 82 c30449_6cxr 1 27 noe5.174 28 67 28 82 c30449_6cxr 1 28 noe5.175 29 68 29 82 c30449_6cxr 1 29 noe5.176 30 68 30 82 c30449_6cxr 1 30 noe5.177 31 68 31 82 c30449_6cxr 1 31 noe5.179 32 68 32 82 c30449_6cxr 1 32 noe5.188 33 68 33 82 c30449_6cxr 1 33 noe5.194 34 68 34 82 c30449_6cxr 1 34 noe5.195 35 68 35 82 c30449_6cxr 1 35 noe5.216 36 69 36 82 c30449_6cxr 1 36 noe5.217 37 69 37 82 c30449_6cxr 1 37 noe5.225 38 68 38 82 c30449_6cxr 1 38 noe5.226 39 67 39 82 c30449_6cxr 1 39 noe5.271 40 67 40 82 c30449_6cxr 1 40 noe5.278 41 67 41 82 c30449_6cxr 1 41 noe5.283 42 67 42 82 c30449_6cxr 1 42 noe5.285 43 67 43 82 c30449_6cxr 1 43 noe5.287 44 67 44 82 c30449_6cxr 1 44 noe5.288 45 67 45 82 c30449_6cxr 1 45 noe5.302 46 67 46 82 c30449_6cxr 1 46 noe5.243 47 68 47 82 c30449_6cxr 1 47 noe5.11 48 68 48 81 c30449_6cxr 1 48 noe5.63 49 68 49 81 c30449_6cxr 1 49 noe5.250 50 68 50 82 c30449_6cxr 1 50 noe5.257 51 67 51 82 c30449_6cxr 1 51 noe5.275 52 67 52 82 c30449_6cxr 1 52 noe5.126 53 67 53 82 c30449_6cxr 1 53 noe5.165 54 67 54 82 c30449_6cxr 1 54 noe5.274 55 67 55 82 c30449_6cxr 1 55 noe5.269 56 68 56 82 c30449_6cxr 1 56 noe5.270 57 68 57 82 c30449_6cxr 1 57 noe5.223 58 67 58 82 c30449_6cxr 1 58 noe5.23 59 67 59 81 c30449_6cxr 1 59 noe5.4 60 66 60 80 c30449_6cxr 1 60 noe5.50 61 66 61 81 c30449_6cxr 1 61 noe5.94 62 67 62 81 c30449_6cxr 1 62 noe5.303 63 67 63 82 c30449_6cxr 1 63 noe5.89 64 67 64 81 c30449_6cxr 1 64 noe5.239 65 68 65 82 c30449_6cxr 1 65 noe5.240 66 68 66 82 c30449_6cxr 1 66 noe5.3 67 66 67 80 c30449_6cxr 1 67 noe5.15 68 67 68 81 c30449_6cxr 1 68 noe5.14 69 67 69 81 c30449_6cxr 1 69 noe5.57 70 67 70 81 c30449_6cxr 1 70 noe5.152 71 69 71 82 c30449_6cxr 1 71 noe5.2 72 66 72 80 c30449_6cxr 1 72 noe5.18 73 67 73 81 c30449_6cxr 1 73 noe5.247 74 67 74 82 c30449_6cxr 1 74 noe5.19 75 67 75 81 c30449_6cxr 1 75 noe5.246 76 67 76 82 c30449_6cxr 1 76 noe5.156 77 68 77 82 c30449_6cxr 1 77 noe5.215 78 68 78 82 c30449_6cxr 1 78 noe5.214 79 68 79 82 c30449_6cxr 1 79 noe5.256 80 68 80 82 c30449_6cxr 1 80 noe5.167 81 66 81 82 c30449_6cxr 1 81 noe5.219 82 68 82 82 c30449_6cxr 1 82 noe5.218 83 68 83 82 c30449_6cxr 1 83 noe5.1 84 66 84 80 c30449_6cxr 1 84 noe5.291 85 68 85 82 c30449_6cxr 1 85 noe5.292 86 68 86 82 c30449_6cxr 1 86 noe5.46 87 66 87 81 c30449_6cxr 1 87 noe5.108 88 66 88 82 c30449_6cxr 1 88 noe5.254 89 66 89 82 c30449_6cxr 1 89 noe5.251 90 67 90 82 c30449_6cxr 1 90 noe5.5 91 66 91 80 c30449_6cxr 1 91 noe5.49 92 66 92 81 c30449_6cxr 1 92 noe5.114 93 67 93 82 c30449_6cxr 1 93 noe5.170 94 67 94 82 c30449_6cxr 1 94 noe5.111 95 67 95 82 c30449_6cxr 1 95 noe5.173 96 67 96 82 c30449_6cxr 1 96 noe5.263 97 68 97 82 c30449_6cxr 1 97 noe5.301 98 67 98 82 c30449_6cxr 1 98 noe5.261 99 67 99 82 c30449_6cxr 1 99 noe5.124 100 67 100 82 c30449_6cxr 1 100 noe5.168 101 67 101 82 c30449_6cxr 1 101 noe5.265 102 68 102 82 c30449_6cxr 1 102 noe5.266 103 68 103 82 c30449_6cxr 1 103 noe5.267 104 68 104 82 c30449_6cxr 1 104 noe5.273 105 67 105 82 c30449_6cxr 1 105 noe5.123 106 67 106 82 c30449_6cxr 1 106 noe5.169 107 67 107 82 c30449_6cxr 1 107 noe5.6 108 66 108 80 c30449_6cxr 1 108 noe5.52 109 66 109 81 c30449_6cxr 1 109 noe5.42 110 67 110 81 c30449_6cxr 1 110 noe5.100 111 67 111 82 c30449_6cxr 1 111 noe5.43 112 67 112 81 c30449_6cxr 1 112 noe5.97 113 67 113 81 c30449_6cxr 1 113 noe5.104 114 67 114 82 c30449_6cxr 1 114 noe5.45 115 67 115 81 c30449_6cxr 1 115 noe5.103 116 67 116 82 c30449_6cxr 1 116 noe5.73 117 67 117 81 c30449_6cxr 1 117 noe5.183 118 68 118 82 c30449_6cxr 1 118 noe5.295 119 67 119 82 c30449_6cxr 1 119 noe5.7 120 66 120 80 c30449_6cxr 1 120 noe5.51 121 66 121 81 c30449_6cxr 1 121 noe5.260 122 67 122 82 c30449_6cxr 1 122 noe5.259 123 67 123 82 c30449_6cxr 1 123 noe5.294 124 66 124 82 c30449_6cxr 1 124 noe5.75 125 67 125 81 c30449_6cxr 1 125 noe5.237 126 68 126 82 c30449_6cxr 1 126 noe5.238 127 68 127 82 c30449_6cxr 1 127 noe5.36 128 67 128 81 c30449_6cxr 1 128 noe5.37 129 67 129 81 c30449_6cxr 1 129 noe5.10 130 68 130 81 c30449_6cxr 1 130 noe5.233 131 68 131 82 c30449_6cxr 1 131 noe5.9 132 68 132 80 c30449_6cxr 1 132 noe5.229 133 68 133 82 c30449_6cxr 1 133 noe5.235 134 68 134 82 c30449_6cxr 1 134 noe5.8 135 66 135 80 c30449_6cxr 1 135 noe5.16 136 67 136 81 c30449_6cxr 1 136 noe5.56 137 67 137 81 c30449_6cxr 1 137 noe5.17 138 67 138 81 c30449_6cxr 1 138 noe5.55 139 67 139 81 c30449_6cxr 1 139 noe5.222 140 67 140 82 c30449_6cxr 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: noe5.tbl' 1 1 1 29 c30449_6cxr 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 c30449_6cxr _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 METAL BINDING PROTEIN 03-APR-18 6CXR *TITLE HRFLRH PEPTIDE NMR STRUCTURE IN THE PRESENCE OF ZN(II) *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: HEXAPEPTIDE HRFLRH; *COMPND 3 CHAIN: A; *COMPND 4 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 ORGANISM_SCIENTIFIC: PHYLLOMEDUSA CENTRALIS; *SOURCE 4 ORGANISM_COMMON: MATO GROSSO LEAF FROG; *SOURCE 5 ORGANISM_TAXID: 536631 *KEYWDS AMPHIBIAN SKIN SECRETION, METAL AFFINITY, CO2 AFFINITY, METAL BINDING *KEYWDS 2 PROTEIN *EXPDTA SOLUTION NMR *NUMMDL 20 *AUTHOR D.A.T.PIRES,L.M.R.ARAKE,L.P.SILVA,A.LOPEZ-CASTILLO,M.V.PRATES, *AUTHOR 2 C.J.NASCIMENTO,C.BLOCH JR *REVDAT 1 04-JUL-18 6CXR 0' save_