data_c19133_2m6h ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID c19133_2m6h _Entry.Title ; SOLUTION STRUCTURE OF trans(C2-P3) trans (D5-P6) of LO959 IN METHANOL ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 2013-03-29 _Entry.Accession_date 2013-03-29 _Entry.Last_release_date 2013-10-28 _Entry.Original_release_date 2013-10-28 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'NMR, 10 STRUCTURES' _Entry.Details . _Entry.BMRB_internal_directory_name . 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.Entry_ID 1 Rajesh Sonti . . . c19133_2m6h stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . c19133_2m6h stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Lo959 from C. lorossi' . c19133_2m6h Methanol . c19133_2m6h stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 c19133_2m6h stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 35 c19133_2m6h 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 . . 2013-10-28 2013-03-29 original author . c19133_2m6h stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 19128 'cis In936 from C.inscriptus' c19133_2m6h BMRB 19129 'trans (MAJOR) FORM OF In936' c19133_2m6h BMRB 19130 'cis (MINOR) FORM OF In936 in Methanol' c19133_2m6h BMRB 19131 'trans (MAJOR) FORM OF In937 in Methanol' c19133_2m6h BMRB 19132 'cis(C2-P3) trans (D5-P6) FORM OF lO959 IN WATER' c19133_2m6h stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID c19133_2m6h _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24115170 _Citation.Full_citation . _Citation.Title 'Conformational Diversity in Contryphans from Conus Venom: cis-trans Isomerisation and Aromatic/Proline Interactions in the 23-Membered Ring of a 7-Residue Peptide Disulfide Loop' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Chemistry _Citation.Journal_name_full . _Citation.Journal_volume 19 _Citation.Journal_issue 45 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _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 15175 _Citation.Page_last 15189 _Citation.Year 2013 _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.Entry_ID _Citation_author.Citation_ID 1 Rajesh Sonti . . . c19133_2m6h 1 2 Konkallu Gowd . H. . c19133_2m6h 1 3 'K. N.' Rao . S. . c19133_2m6h 1 4 Srinivasarao Ragothama . . . c19133_2m6h 1 5 Alex Rodriguez . . . c19133_2m6h 1 6 Juan Perez . J. . c19133_2m6h 1 7 Padmanabhan Balaram . . . c19133_2m6h 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID c19133_2m6h _Assembly.ID 1 _Assembly.Name ttLO959M _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 ttLO959M 1 $ttLO959M A . yes native no no . . . c19133_2m6h 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ttLO959M _Entity.Sf_category entity _Entity.Sf_framecode ttLO959M _Entity.Entry_ID c19133_2m6h _Entity.ID 1 _Entity.BMRB_code . _Entity.Name ttLO959M _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 GCPWDPWC _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 8 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 963.091 _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 1 GLY . c19133_2m6h 1 2 2 CYS . c19133_2m6h 1 3 3 PRO . c19133_2m6h 1 4 4 TRP . c19133_2m6h 1 5 5 ASP . c19133_2m6h 1 6 6 PRO . c19133_2m6h 1 7 7 TRP . c19133_2m6h 1 8 8 CYS . c19133_2m6h 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 . GLY 1 1 c19133_2m6h 1 . CYS 2 2 c19133_2m6h 1 . PRO 3 3 c19133_2m6h 1 . TRP 4 4 c19133_2m6h 1 . ASP 5 5 c19133_2m6h 1 . PRO 6 6 c19133_2m6h 1 . TRP 7 7 c19133_2m6h 1 . CYS 8 8 c19133_2m6h 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 c19133_2m6h _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $ttLO959M . 410709 organism . 'Conus loroissi' 'Cone Snail' . . Eukaryota Metazoa Conus loroissi . . . . . . . . . . . . . . . . . . . . . c19133_2m6h 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 c19133_2m6h _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $ttLO959M . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . 'not applicable' . . . . . . c19133_2m6h 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID c19133_2m6h _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system methanol _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 methanol 'natural abundance' . . . . . . ~2 . . mM . . . . c19133_2m6h 1 2 ttLO959M 'natural abundance' . . 1 $ttLO959M . . . . . mM . . . . c19133_2m6h 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 c19133_2m6h _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 temperature 303 . K c19133_2m6h 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID c19133_2m6h _Software.ID 1 _Software.Name CYANA _Software.Version 3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . c19133_2m6h 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' c19133_2m6h 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID c19133_2m6h _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 c19133_2m6h _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 spectrometer_1 Bruker Avance . 500 . . . c19133_2m6h 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 c19133_2m6h _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 $spectrometer_1 . . . . . . . . . . . . . . . . c19133_2m6h 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . c19133_2m6h 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . c19133_2m6h 1 4 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . c19133_2m6h 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID c19133_2m6h _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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . c19133_2m6h 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID c19133_2m6h _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 $chemical_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' . . . c19133_2m6h 1 2 '2D 1H-13C HSQC aliphatic' . . . c19133_2m6h 1 3 '2D 1H-13C HSQC aromatic' . . . c19133_2m6h 1 4 '2D 1H-1H NOESY' . . . c19133_2m6h 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.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 GLY HA3 H 1 3.772 0.000 . 1 . . . A 1 GLY HA3 . c19133_2m6h 1 2 . 1 1 2 2 CYS H H 1 7.918 0.004 . 1 . . . A 2 CYS H . c19133_2m6h 1 3 . 1 1 2 2 CYS HA H 1 4.922 0.003 . 1 . . . A 2 CYS HA . c19133_2m6h 1 4 . 1 1 2 2 CYS HB2 H 1 3.308 0.000 . 2 . . . A 2 CYS HB2 . c19133_2m6h 1 5 . 1 1 2 2 CYS HB3 H 1 3.121 0.001 . 2 . . . A 2 CYS HB3 . c19133_2m6h 1 6 . 1 1 3 3 PRO HA H 1 4.303 0.004 . 1 . . . A 3 PRO HA . c19133_2m6h 1 7 . 1 1 3 3 PRO HB2 H 1 2.090 0.000 . 2 . . . A 3 PRO HB2 . c19133_2m6h 1 8 . 1 1 3 3 PRO HB3 H 1 1.857 0.000 . 2 . . . A 3 PRO HB3 . c19133_2m6h 1 9 . 1 1 3 3 PRO HG3 H 1 1.857 0.000 . 1 . . . A 3 PRO HG3 . c19133_2m6h 1 10 . 1 1 3 3 PRO HD2 H 1 3.721 0.002 . 2 . . . A 3 PRO HD2 . c19133_2m6h 1 11 . 1 1 3 3 PRO HD3 H 1 3.568 0.003 . 2 . . . A 3 PRO HD3 . c19133_2m6h 1 12 . 1 1 4 4 TRP H H 1 8.124 0.003 . 1 . . . A 4 TRP H . c19133_2m6h 1 13 . 1 1 4 4 TRP HA H 1 4.561 0.005 . 1 . . . A 4 TRP HA . c19133_2m6h 1 14 . 1 1 4 4 TRP HB2 H 1 3.377 0.000 . 2 . . . A 4 TRP HB2 . c19133_2m6h 1 15 . 1 1 4 4 TRP HB3 H 1 3.257 0.000 . 2 . . . A 4 TRP HB3 . c19133_2m6h 1 16 . 1 1 4 4 TRP HD1 H 1 7.195 0.000 . 1 . . . A 4 TRP HD1 . c19133_2m6h 1 17 . 1 1 4 4 TRP HE3 H 1 7.597 0.000 . 1 . . . A 4 TRP HE3 . c19133_2m6h 1 18 . 1 1 5 5 ASP H H 1 7.610 0.002 . 1 . . . A 5 ASP H . c19133_2m6h 1 19 . 1 1 5 5 ASP HA H 1 4.887 0.002 . 1 . . . A 5 ASP HA . c19133_2m6h 1 20 . 1 1 5 5 ASP HB3 H 1 2.829 0.000 . 1 . . . A 5 ASP HB3 . c19133_2m6h 1 21 . 1 1 6 6 PRO HA H 1 4.193 0.001 . 1 . . . A 6 PRO HA . c19133_2m6h 1 22 . 1 1 6 6 PRO HG2 H 1 1.183 0.001 . 2 . . . A 6 PRO HG2 . c19133_2m6h 1 23 . 1 1 6 6 PRO HG3 H 1 0.949 0.003 . 2 . . . A 6 PRO HG3 . c19133_2m6h 1 24 . 1 1 6 6 PRO HD2 H 1 3.371 0.006 . 2 . . . A 6 PRO HD2 . c19133_2m6h 1 25 . 1 1 6 6 PRO HD3 H 1 3.010 0.005 . 2 . . . A 6 PRO HD3 . c19133_2m6h 1 26 . 1 1 7 7 TRP H H 1 7.022 0.003 . 1 . . . A 7 TRP H . c19133_2m6h 1 27 . 1 1 7 7 TRP HA H 1 4.555 0.002 . 1 . . . A 7 TRP HA . c19133_2m6h 1 28 . 1 1 7 7 TRP HB2 H 1 3.152 0.001 . 2 . . . A 7 TRP HB2 . c19133_2m6h 1 29 . 1 1 7 7 TRP HB3 H 1 3.444 0.000 . 2 . . . A 7 TRP HB3 . c19133_2m6h 1 30 . 1 1 7 7 TRP HD1 H 1 7.174 0.000 . 1 . . . A 7 TRP HD1 . c19133_2m6h 1 31 . 1 1 7 7 TRP HE3 H 1 7.666 0.001 . 1 . . . A 7 TRP HE3 . c19133_2m6h 1 32 . 1 1 8 8 CYS H H 1 7.445 0.001 . 1 . . . A 8 CYS H . c19133_2m6h 1 33 . 1 1 8 8 CYS HA H 1 4.338 0.000 . 1 . . . A 8 CYS HA . c19133_2m6h 1 34 . 1 1 8 8 CYS HB2 H 1 3.139 0.000 . 2 . . . A 8 CYS HB2 . c19133_2m6h 1 35 . 1 1 8 8 CYS HB3 H 1 3.428 0.000 . 2 . . . A 8 CYS HB3 . c19133_2m6h 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 c19133_2m6h _Conformer_stat_list.ID 1 _Conformer_stat_list.Conf_family_coord_set_ID 1 _Conformer_stat_list.Conf_family_coord_set_label $Original_constraints_and_structures _Conformer_stat_list.Conformer_submitted_total_num 10 save_ ##################################### # Conformer family coordinate set # ##################################### save_ensemble_of_conformers _Conformer_family_coord_set.Sf_category conformer_family_coord_set _Conformer_family_coord_set.Sf_framecode ensemble_of_conformers _Conformer_family_coord_set.Entry_ID c19133_2m6h _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 . . . c19133_2m6h 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 . . . . c19133_2m6h 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 GLY C C 1.664 -1.135 -2.165 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c19133_2m6h 1 . 1 . 2 . 1 1 1 GLY CA C 2.071 0.001 -1.247 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c19133_2m6h 1 . 1 . 3 . 1 1 1 GLY H1 H 1.811 -0.001 0.854 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c19133_2m6h 1 . 1 . 4 . 1 1 1 GLY HA2 H 1.901 0.939 -1.754 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c19133_2m6h 1 . 1 . 5 . 1 1 1 GLY HA3 H 3.125 -0.091 -1.026 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c19133_2m6h 1 . 1 . 6 . 1 1 1 GLY N N 1.330 0.000 0.000 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c19133_2m6h 1 . 1 . 7 . 1 1 1 GLY O O 0.507 -1.557 -2.167 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c19133_2m6h 1 . 1 . 8 . 1 1 2 CYS C C 3.095 -3.986 -3.457 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . c19133_2m6h 1 . 1 . 9 . 1 1 2 CYS CA C 2.351 -2.722 -3.878 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . c19133_2m6h 1 . 1 . 10 . 1 1 2 CYS CB C 2.761 -2.324 -5.297 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . c19133_2m6h 1 . 1 . 11 . 1 1 2 CYS H H 3.520 -1.251 -2.902 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . c19133_2m6h 1 . 1 . 12 . 1 1 2 CYS HA H 1.290 -2.921 -3.862 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . c19133_2m6h 1 . 1 . 13 . 1 1 2 CYS HB2 H 3.839 -2.344 -5.371 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . c19133_2m6h 1 . 1 . 14 . 1 1 2 CYS HB3 H 2.344 -3.033 -5.996 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . c19133_2m6h 1 . 1 . 15 . 1 1 2 CYS N N 2.616 -1.630 -2.949 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . c19133_2m6h 1 . 1 . 16 . 1 1 2 CYS O O 4.120 -3.936 -2.777 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . c19133_2m6h 1 . 1 . 17 . 1 1 2 CYS SG S 2.204 -0.662 -5.793 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . c19133_2m6h 1 . 1 . 18 . 1 1 3 PRO C C 4.485 -6.674 -4.279 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . c19133_2m6h 1 . 1 . 19 . 1 1 3 PRO CA C 3.165 -6.448 -3.550 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . c19133_2m6h 1 . 1 . 20 . 1 1 3 PRO CB C 2.112 -7.450 -4.028 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . c19133_2m6h 1 . 1 . 21 . 1 1 3 PRO CD C 1.348 -5.283 -4.685 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . c19133_2m6h 1 . 1 . 22 . 1 1 3 PRO CG C 1.358 -6.730 -5.092 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . c19133_2m6h 1 . 1 . 23 . 1 1 3 PRO HA H 3.318 -6.562 -2.487 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . c19133_2m6h 1 . 1 . 24 . 1 1 3 PRO HB2 H 2.601 -8.332 -4.417 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . c19133_2m6h 1 . 1 . 25 . 1 1 3 PRO HB3 H 1.469 -7.722 -3.204 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . c19133_2m6h 1 . 1 . 26 . 1 1 3 PRO HD2 H 1.392 -4.645 -5.555 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . c19133_2m6h 1 . 1 . 27 . 1 1 3 PRO HD3 H 0.468 -5.063 -4.098 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . c19133_2m6h 1 . 1 . 28 . 1 1 3 PRO HG2 H 1.859 -6.849 -6.041 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . c19133_2m6h 1 . 1 . 29 . 1 1 3 PRO HG3 H 0.349 -7.111 -5.149 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . c19133_2m6h 1 . 1 . 30 . 1 1 3 PRO N N 2.568 -5.148 -3.871 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . c19133_2m6h 1 . 1 . 31 . 1 1 3 PRO O O 4.477 -6.859 -5.495 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . c19133_2m6h 1 . 1 . 32 . 1 1 4 DTR C C 7.569 -5.495 -4.248 . . . 1.0 . . . . . . . . . . . . A . 4 DTR C . . . . . . . . . c19133_2m6h 1 . 1 . 33 . 1 1 4 DTR CA C 6.891 -6.861 -4.118 . . . 1.0 . . . . . . . . . . . . A . 4 DTR CA . . . . . . . . . c19133_2m6h 1 . 1 . 34 . 1 1 4 DTR CB C 7.710 -7.859 -3.296 . . . 1.0 . . . . . . . . . . . . A . 4 DTR CB . . . . . . . . . c19133_2m6h 1 . 1 . 35 . 1 1 4 DTR CD1 C 6.426 -9.989 -3.983 . . . 1.0 . . . . . . . . . . . . A . 4 DTR CD1 . . . . . . . . . c19133_2m6h 1 . 1 . 36 . 1 1 4 DTR CD2 C 8.626 -10.244 -4.021 . . . 1.0 . . . . . . . . . . . . A . 4 DTR CD2 . . . . . . . . . c19133_2m6h 1 . 1 . 37 . 1 1 4 DTR CE2 C 8.065 -11.445 -4.405 . . . 1.0 . . . . . . . . . . . . A . 4 DTR CE2 . . . . . . . . . c19133_2m6h 1 . 1 . 38 . 1 1 4 DTR CE3 C 10.020 -10.078 -3.943 . . . 1.0 . . . . . . . . . . . . A . 4 DTR CE3 . . . . . . . . . c19133_2m6h 1 . 1 . 39 . 1 1 4 DTR CG C 7.558 -9.312 -3.751 . . . 1.0 . . . . . . . . . . . . A . 4 DTR CG . . . . . . . . . c19133_2m6h 1 . 1 . 40 . 1 1 4 DTR CH2 C 10.215 -12.431 -4.671 . . . 1.0 . . . . . . . . . . . . A . 4 DTR CH2 . . . . . . . . . c19133_2m6h 1 . 1 . 41 . 1 1 4 DTR CZ2 C 8.824 -12.573 -4.741 . . . 1.0 . . . . . . . . . . . . A . 4 DTR CZ2 . . . . . . . . . c19133_2m6h 1 . 1 . 42 . 1 1 4 DTR CZ3 C 10.764 -11.215 -4.282 . . . 1.0 . . . . . . . . . . . . A . 4 DTR CZ3 . . . . . . . . . c19133_2m6h 1 . 1 . 43 . 1 1 4 DTR H H 5.576 -6.505 -2.542 . . . 1.0 . . . . . . . . . . . . A . 4 DTR H . . . . . . . . . c19133_2m6h 1 . 1 . 44 . 1 1 4 DTR HA H 6.750 -7.302 -5.104 . . . 1.0 . . . . . . . . . . . . A . 4 DTR HA . . . . . . . . . c19133_2m6h 1 . 1 . 45 . 1 1 4 DTR HB2 H 7.412 -7.783 -2.250 . . . 1.0 . . . . . . . . . . . . A . 4 DTR HB2 . . . . . . . . . c19133_2m6h 1 . 1 . 46 . 1 1 4 DTR HB3 H 8.763 -7.580 -3.349 . . . 1.0 . . . . . . . . . . . . A . 4 DTR HB3 . . . . . . . . . c19133_2m6h 1 . 1 . 47 . 1 1 4 DTR HD1 H 5.426 -9.570 -3.872 . . . 1.0 . . . . . . . . . . . . A . 4 DTR HD1 . . . . . . . . . c19133_2m6h 1 . 1 . 48 . 1 1 4 DTR HE1 H 5.943 -12.044 -4.631 . . . 1.0 . . . . . . . . . . . . A . 4 DTR HE1 . . . . . . . . . c19133_2m6h 1 . 1 . 49 . 1 1 4 DTR HE3 H 10.487 -9.141 -3.642 . . . 1.0 . . . . . . . . . . . . A . 4 DTR HE3 . . . . . . . . . c19133_2m6h 1 . 1 . 50 . 1 1 4 DTR HH2 H 10.864 -13.270 -4.919 . . . 1.0 . . . . . . . . . . . . A . 4 DTR HH2 . . . . . . . . . c19133_2m6h 1 . 1 . 51 . 1 1 4 DTR HZ2 H 8.356 -13.510 -5.041 . . . 1.0 . . . . . . . . . . . . A . 4 DTR HZ2 . . . . . . . . . c19133_2m6h 1 . 1 . 52 . 1 1 4 DTR HZ3 H 11.851 -11.141 -4.238 . . . 1.0 . . . . . . . . . . . . A . 4 DTR HZ3 . . . . . . . . . c19133_2m6h 1 . 1 . 53 . 1 1 4 DTR N N 5.578 -6.656 -3.530 . . . 1.0 . . . . . . . . . . . . A . 4 DTR N . . . . . . . . . c19133_2m6h 1 . 1 . 54 . 1 1 4 DTR NE1 N 6.685 -11.285 -4.381 . . . 1.0 . . . . . . . . . . . . A . 4 DTR NE1 . . . . . . . . . c19133_2m6h 1 . 1 . 55 . 1 1 4 DTR O O 8.795 -5.374 -4.260 . . . 1.0 . . . . . . . . . . . . A . 4 DTR O . . . . . . . . . c19133_2m6h 1 . 1 . 56 . 1 1 5 ASP C C 6.559 -2.179 -3.457 . . . 1.0 . . . . . . . . . . . . A . 5 ASP C . . . . . . . . . c19133_2m6h 1 . 1 . 57 . 1 1 5 ASP CA C 7.230 -3.096 -4.475 . . . 1.0 . . . . . . . . . . . . A . 5 ASP CA . . . . . . . . . c19133_2m6h 1 . 1 . 58 . 1 1 5 ASP CB C 6.983 -2.574 -5.891 . . . 1.0 . . . . . . . . . . . . A . 5 ASP CB . . . . . . . . . c19133_2m6h 1 . 1 . 59 . 1 1 5 ASP CG C 7.857 -1.383 -6.230 . . . 1.0 . . . . . . . . . . . . A . 5 ASP CG . . . . . . . . . c19133_2m6h 1 . 1 . 60 . 1 1 5 ASP H H 5.772 -4.624 -4.330 . . . 1.0 . . . . . . . . . . . . A . 5 ASP H . . . . . . . . . c19133_2m6h 1 . 1 . 61 . 1 1 5 ASP HA H 8.293 -3.106 -4.286 . . . 1.0 . . . . . . . . . . . . A . 5 ASP HA . . . . . . . . . c19133_2m6h 1 . 1 . 62 . 1 1 5 ASP HB2 H 7.191 -3.362 -6.600 . . . 1.0 . . . . . . . . . . . . A . 5 ASP HB2 . . . . . . . . . c19133_2m6h 1 . 1 . 63 . 1 1 5 ASP HB3 H 5.948 -2.277 -5.982 . . . 1.0 . . . . . . . . . . . . A . 5 ASP HB3 . . . . . . . . . c19133_2m6h 1 . 1 . 64 . 1 1 5 ASP N N 6.739 -4.463 -4.346 . . . 1.0 . . . . . . . . . . . . A . 5 ASP N . . . . . . . . . c19133_2m6h 1 . 1 . 65 . 1 1 5 ASP O O 5.635 -1.430 -3.774 . . . 1.0 . . . . . . . . . . . . A . 5 ASP O . . . . . . . . . c19133_2m6h 1 . 1 . 66 . 1 1 5 ASP OD1 O 8.198 -0.616 -5.306 . . . 1.0 . . . . . . . . . . . . A . 5 ASP OD1 . . . . . . . . . c19133_2m6h 1 . 1 . 67 . 1 1 5 ASP OD2 O 8.199 -1.216 -7.420 . . . 1.0 . . . . . . . . . . . . A . 5 ASP OD2 . . . . . . . . . c19133_2m6h 1 . 1 . 68 . 1 1 6 PRO C C 6.831 0.057 -1.275 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . c19133_2m6h 1 . 1 . 69 . 1 1 6 PRO CA C 6.493 -1.421 -1.113 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . c19133_2m6h 1 . 1 . 70 . 1 1 6 PRO CB C 7.177 -1.993 0.131 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . c19133_2m6h 1 . 1 . 71 . 1 1 6 PRO CD C 8.133 -3.109 -1.754 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . c19133_2m6h 1 . 1 . 72 . 1 1 6 PRO CG C 8.442 -2.596 -0.375 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . c19133_2m6h 1 . 1 . 73 . 1 1 6 PRO HA H 5.423 -1.537 -1.023 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . c19133_2m6h 1 . 1 . 74 . 1 1 6 PRO HB2 H 7.372 -1.197 0.836 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB2 . . . . . . . . . c19133_2m6h 1 . 1 . 75 . 1 1 6 PRO HB3 H 6.540 -2.736 0.587 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . c19133_2m6h 1 . 1 . 76 . 1 1 6 PRO HD2 H 8.994 -3.005 -2.397 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD2 . . . . . . . . . c19133_2m6h 1 . 1 . 77 . 1 1 6 PRO HD3 H 7.814 -4.140 -1.711 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . c19133_2m6h 1 . 1 . 78 . 1 1 6 PRO HG2 H 9.215 -1.845 -0.419 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG2 . . . . . . . . . c19133_2m6h 1 . 1 . 79 . 1 1 6 PRO HG3 H 8.743 -3.410 0.268 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . c19133_2m6h 1 . 1 . 80 . 1 1 6 PRO N N 7.033 -2.239 -2.204 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . c19133_2m6h 1 . 1 . 81 . 1 1 6 PRO O O 6.327 0.903 -0.537 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . c19133_2m6h 1 . 1 . 82 . 1 1 7 TRP C C 7.526 2.231 -3.830 . . . 1.0 . . . . . . . . . . . . A . 7 TRP C . . . . . . . . . c19133_2m6h 1 . 1 . 83 . 1 1 7 TRP CA C 8.092 1.738 -2.503 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CA . . . . . . . . . c19133_2m6h 1 . 1 . 84 . 1 1 7 TRP CB C 9.617 1.849 -2.511 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CB . . . . . . . . . c19133_2m6h 1 . 1 . 85 . 1 1 7 TRP CD1 C 11.134 1.160 -0.564 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD1 . . . . . . . . . c19133_2m6h 1 . 1 . 86 . 1 1 7 TRP CD2 C 9.918 3.000 -0.177 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD2 . . . . . . . . . c19133_2m6h 1 . 1 . 87 . 1 1 7 TRP CE2 C 10.703 2.732 0.962 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE2 . . . . . . . . . c19133_2m6h 1 . 1 . 88 . 1 1 7 TRP CE3 C 9.073 4.113 -0.165 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE3 . . . . . . . . . c19133_2m6h 1 . 1 . 89 . 1 1 7 TRP CG C 10.210 1.983 -1.141 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CG . . . . . . . . . c19133_2m6h 1 . 1 . 90 . 1 1 7 TRP CH2 C 9.826 4.617 2.083 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CH2 . . . . . . . . . c19133_2m6h 1 . 1 . 91 . 1 1 7 TRP CZ2 C 10.663 3.535 2.099 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ2 . . . . . . . . . c19133_2m6h 1 . 1 . 92 . 1 1 7 TRP CZ3 C 9.035 4.909 0.964 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ3 . . . . . . . . . c19133_2m6h 1 . 1 . 93 . 1 1 7 TRP H H 8.055 -0.359 -2.800 . . . 1.0 . . . . . . . . . . . . A . 7 TRP H . . . . . . . . . c19133_2m6h 1 . 1 . 94 . 1 1 7 TRP HA H 7.699 2.352 -1.706 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HA . . . . . . . . . c19133_2m6h 1 . 1 . 95 . 1 1 7 TRP HB2 H 10.034 0.966 -2.970 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB2 . . . . . . . . . c19133_2m6h 1 . 1 . 96 . 1 1 7 TRP HB3 H 9.904 2.718 -3.086 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB3 . . . . . . . . . c19133_2m6h 1 . 1 . 97 . 1 1 7 TRP HD1 H 11.557 0.290 -1.043 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HD1 . . . . . . . . . c19133_2m6h 1 . 1 . 98 . 1 1 7 TRP HE1 H 12.071 1.182 1.316 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE1 . . . . . . . . . c19133_2m6h 1 . 1 . 99 . 1 1 7 TRP HE3 H 8.455 4.354 -1.018 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE3 . . . . . . . . . c19133_2m6h 1 . 1 . 100 . 1 1 7 TRP HH2 H 9.764 5.266 2.943 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HH2 . . . . . . . . . c19133_2m6h 1 . 1 . 101 . 1 1 7 TRP HZ2 H 11.268 3.324 2.969 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ2 . . . . . . . . . c19133_2m6h 1 . 1 . 102 . 1 1 7 TRP HZ3 H 8.387 5.773 0.991 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ3 . . . . . . . . . c19133_2m6h 1 . 1 . 103 . 1 1 7 TRP N N 7.687 0.360 -2.244 . . . 1.0 . . . . . . . . . . . . A . 7 TRP N . . . . . . . . . c19133_2m6h 1 . 1 . 104 . 1 1 7 TRP NE1 N 11.435 1.604 0.701 . . . 1.0 . . . . . . . . . . . . A . 7 TRP NE1 . . . . . . . . . c19133_2m6h 1 . 1 . 105 . 1 1 7 TRP O O 7.969 3.248 -4.365 . . . 1.0 . . . . . . . . . . . . A . 7 TRP O . . . . . . . . . c19133_2m6h 1 . 1 . 106 . 1 1 8 CYS C C 5.189 3.205 -5.503 . . . 1.0 . . . . . . . . . . . . A . 8 CYS C . . . . . . . . . c19133_2m6h 1 . 1 . 107 . 1 1 8 CYS CA C 5.918 1.870 -5.621 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CA . . . . . . . . . c19133_2m6h 1 . 1 . 108 . 1 1 8 CYS CB C 4.941 0.780 -6.063 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CB . . . . . . . . . c19133_2m6h 1 . 1 . 109 . 1 1 8 CYS H H 6.234 0.706 -3.882 . . . 1.0 . . . . . . . . . . . . A . 8 CYS H . . . . . . . . . c19133_2m6h 1 . 1 . 110 . 1 1 8 CYS HA H 6.697 1.965 -6.363 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HA . . . . . . . . . c19133_2m6h 1 . 1 . 111 . 1 1 8 CYS HB2 H 4.653 0.959 -7.089 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB2 . . . . . . . . . c19133_2m6h 1 . 1 . 112 . 1 1 8 CYS HB3 H 5.430 -0.181 -5.994 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB3 . . . . . . . . . c19133_2m6h 1 . 1 . 113 . 1 1 8 CYS N N 6.545 1.506 -4.356 . . . 1.0 . . . . . . . . . . . . A . 8 CYS N . . . . . . . . . c19133_2m6h 1 . 1 . 114 . 1 1 8 CYS O O 4.865 3.651 -4.402 . . . 1.0 . . . . . . . . . . . . A . 8 CYS O . . . . . . . . . c19133_2m6h 1 . 1 . 115 . 1 1 8 CYS SG S 3.417 0.699 -5.067 . . . 1.0 . . . . . . . . . . . . A . 8 CYS SG . . . . . . . . . c19133_2m6h 1 . 2 . 116 . 1 1 1 GLY C C 1.609 -1.238 -2.127 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c19133_2m6h 1 . 2 . 117 . 1 1 1 GLY CA C 1.989 -0.199 -1.090 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c19133_2m6h 1 . 2 . 118 . 1 1 1 GLY H1 H 1.291 0.373 0.825 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c19133_2m6h 1 . 2 . 119 . 1 1 1 GLY HA2 H 1.881 0.784 -1.524 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c19133_2m6h 1 . 2 . 120 . 1 1 1 GLY HA3 H 3.023 -0.347 -0.812 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c19133_2m6h 1 . 2 . 121 . 1 1 1 GLY N N 1.167 -0.278 0.103 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c19133_2m6h 1 . 2 . 122 . 1 1 1 GLY O O 0.442 -1.613 -2.241 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c19133_2m6h 1 . 2 . 123 . 1 1 2 CYS C C 3.030 -4.026 -3.560 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . c19133_2m6h 1 . 2 . 124 . 1 1 2 CYS CA C 2.359 -2.703 -3.919 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . c19133_2m6h 1 . 2 . 125 . 1 1 2 CYS CB C 2.880 -2.205 -5.269 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . c19133_2m6h 1 . 2 . 126 . 1 1 2 CYS H H 3.506 -1.366 -2.747 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . c19133_2m6h 1 . 2 . 127 . 1 1 2 CYS HA H 1.294 -2.862 -3.991 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . c19133_2m6h 1 . 2 . 128 . 1 1 2 CYS HB2 H 3.959 -2.261 -5.272 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . c19133_2m6h 1 . 2 . 129 . 1 1 2 CYS HB3 H 2.490 -2.837 -6.053 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . c19133_2m6h 1 . 2 . 130 . 1 1 2 CYS N N 2.596 -1.703 -2.885 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . c19133_2m6h 1 . 2 . 131 . 1 1 2 CYS O O 4.006 -4.073 -2.812 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . c19133_2m6h 1 . 2 . 132 . 1 1 2 CYS SG S 2.414 -0.487 -5.657 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . c19133_2m6h 1 . 2 . 133 . 1 1 3 PRO C C 4.384 -6.689 -4.515 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . c19133_2m6h 1 . 2 . 134 . 1 1 3 PRO CA C 3.025 -6.472 -3.858 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . c19133_2m6h 1 . 2 . 135 . 1 1 3 PRO CB C 1.974 -7.390 -4.488 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . c19133_2m6h 1 . 2 . 136 . 1 1 3 PRO CD C 1.330 -5.147 -5.007 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . c19133_2m6h 1 . 2 . 137 . 1 1 3 PRO CG C 1.320 -6.555 -5.535 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . c19133_2m6h 1 . 2 . 138 . 1 1 3 PRO HA H 3.100 -6.680 -2.801 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . c19133_2m6h 1 . 2 . 139 . 1 1 3 PRO HB2 H 2.459 -8.255 -4.918 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . c19133_2m6h 1 . 2 . 140 . 1 1 3 PRO HB3 H 1.267 -7.704 -3.735 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . c19133_2m6h 1 . 2 . 141 . 1 1 3 PRO HD2 H 1.456 -4.442 -5.815 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . c19133_2m6h 1 . 2 . 142 . 1 1 3 PRO HD3 H 0.419 -4.942 -4.463 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . c19133_2m6h 1 . 2 . 143 . 1 1 3 PRO HG2 H 1.881 -6.614 -6.455 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . c19133_2m6h 1 . 2 . 144 . 1 1 3 PRO HG3 H 0.306 -6.890 -5.690 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . c19133_2m6h 1 . 2 . 145 . 1 1 3 PRO N N 2.494 -5.128 -4.106 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . c19133_2m6h 1 . 2 . 146 . 1 1 3 PRO O O 4.454 -6.772 -5.740 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . c19133_2m6h 1 . 2 . 147 . 1 1 4 DTR C C 7.496 -5.638 -4.179 . . . 1.0 . . . . . . . . . . . . A . 4 DTR C . . . . . . . . . c19133_2m6h 1 . 2 . 148 . 1 1 4 DTR CA C 6.765 -6.982 -4.210 . . . 1.0 . . . . . . . . . . . . A . 4 DTR CA . . . . . . . . . c19133_2m6h 1 . 2 . 149 . 1 1 4 DTR CB C 7.491 -8.076 -3.424 . . . 1.0 . . . . . . . . . . . . A . 4 DTR CB . . . . . . . . . c19133_2m6h 1 . 2 . 150 . 1 1 4 DTR CD1 C 6.410 -10.023 -4.728 . . . 1.0 . . . . . . . . . . . . A . 4 DTR CD1 . . . . . . . . . c19133_2m6h 1 . 2 . 151 . 1 1 4 DTR CD2 C 8.507 -10.424 -4.137 . . . 1.0 . . . . . . . . . . . . A . 4 DTR CD2 . . . . . . . . . c19133_2m6h 1 . 2 . 152 . 1 1 4 DTR CE2 C 8.051 -11.533 -4.820 . . . 1.0 . . . . . . . . . . . . A . 4 DTR CE2 . . . . . . . . . c19133_2m6h 1 . 2 . 153 . 1 1 4 DTR CE3 C 9.815 -10.365 -3.625 . . . 1.0 . . . . . . . . . . . . A . 4 DTR CE3 . . . . . . . . . c19133_2m6h 1 . 2 . 154 . 1 1 4 DTR CG C 7.438 -9.455 -4.084 . . . 1.0 . . . . . . . . . . . . A . 4 DTR CG . . . . . . . . . c19133_2m6h 1 . 2 . 155 . 1 1 4 DTR CH2 C 10.146 -12.631 -4.552 . . . 1.0 . . . . . . . . . . . . A . 4 DTR CH2 . . . . . . . . . c19133_2m6h 1 . 2 . 156 . 1 1 4 DTR CZ2 C 8.839 -12.667 -5.054 . . . 1.0 . . . . . . . . . . . . A . 4 DTR CZ2 . . . . . . . . . c19133_2m6h 1 . 2 . 157 . 1 1 4 DTR CZ3 C 10.589 -11.506 -3.866 . . . 1.0 . . . . . . . . . . . . A . 4 DTR CZ3 . . . . . . . . . c19133_2m6h 1 . 2 . 158 . 1 1 4 DTR H H 5.357 -6.707 -2.701 . . . 1.0 . . . . . . . . . . . . A . 4 DTR H . . . . . . . . . c19133_2m6h 1 . 2 . 159 . 1 1 4 DTR HA H 6.678 -7.335 -5.238 . . . 1.0 . . . . . . . . . . . . A . 4 DTR HA . . . . . . . . . c19133_2m6h 1 . 2 . 160 . 1 1 4 DTR HB2 H 7.054 -8.144 -2.428 . . . 1.0 . . . . . . . . . . . . A . 4 DTR HB2 . . . . . . . . . c19133_2m6h 1 . 2 . 161 . 1 1 4 DTR HB3 H 8.534 -7.785 -3.296 . . . 1.0 . . . . . . . . . . . . A . 4 DTR HB3 . . . . . . . . . c19133_2m6h 1 . 2 . 162 . 1 1 4 DTR HD1 H 5.438 -9.550 -4.869 . . . 1.0 . . . . . . . . . . . . A . 4 DTR HD1 . . . . . . . . . c19133_2m6h 1 . 2 . 163 . 1 1 4 DTR HE1 H 6.081 -11.954 -5.746 . . . 1.0 . . . . . . . . . . . . A . 4 DTR HE1 . . . . . . . . . c19133_2m6h 1 . 2 . 164 . 1 1 4 DTR HE3 H 10.198 -9.501 -3.082 . . . 1.0 . . . . . . . . . . . . A . 4 DTR HE3 . . . . . . . . . c19133_2m6h 1 . 2 . 165 . 1 1 4 DTR HH2 H 10.812 -13.481 -4.699 . . . 1.0 . . . . . . . . . . . . A . 4 DTR HH2 . . . . . . . . . c19133_2m6h 1 . 2 . 166 . 1 1 4 DTR HZ2 H 8.456 -13.531 -5.596 . . . 1.0 . . . . . . . . . . . . A . 4 DTR HZ2 . . . . . . . . . c19133_2m6h 1 . 2 . 167 . 1 1 4 DTR HZ3 H 11.612 -11.513 -3.490 . . . 1.0 . . . . . . . . . . . . A . 4 DTR HZ3 . . . . . . . . . c19133_2m6h 1 . 2 . 168 . 1 1 4 DTR N N 5.422 -6.775 -3.696 . . . 1.0 . . . . . . . . . . . . A . 4 DTR N . . . . . . . . . c19133_2m6h 1 . 2 . 169 . 1 1 4 DTR NE1 N 6.735 -11.282 -5.191 . . . 1.0 . . . . . . . . . . . . A . 4 DTR NE1 . . . . . . . . . c19133_2m6h 1 . 2 . 170 . 1 1 4 DTR O O 8.722 -5.564 -4.099 . . . 1.0 . . . . . . . . . . . . A . 4 DTR O . . . . . . . . . c19133_2m6h 1 . 2 . 171 . 1 1 5 ASP C C 6.544 -2.362 -3.177 . . . 1.0 . . . . . . . . . . . . A . 5 ASP C . . . . . . . . . c19133_2m6h 1 . 2 . 172 . 1 1 5 ASP CA C 7.253 -3.217 -4.223 . . . 1.0 . . . . . . . . . . . . A . 5 ASP CA . . . . . . . . . c19133_2m6h 1 . 2 . 173 . 1 1 5 ASP CB C 7.121 -2.570 -5.603 . . . 1.0 . . . . . . . . . . . . A . 5 ASP CB . . . . . . . . . c19133_2m6h 1 . 2 . 174 . 1 1 5 ASP CG C 8.031 -3.210 -6.632 . . . 1.0 . . . . . . . . . . . . A . 5 ASP CG . . . . . . . . . c19133_2m6h 1 . 2 . 175 . 1 1 5 ASP H H 5.738 -4.694 -4.306 . . . 1.0 . . . . . . . . . . . . A . 5 ASP H . . . . . . . . . c19133_2m6h 1 . 2 . 176 . 1 1 5 ASP HA H 8.299 -3.284 -3.966 . . . 1.0 . . . . . . . . . . . . A . 5 ASP HA . . . . . . . . . c19133_2m6h 1 . 2 . 177 . 1 1 5 ASP HB2 H 6.100 -2.668 -5.942 . . . 1.0 . . . . . . . . . . . . A . 5 ASP HB2 . . . . . . . . . c19133_2m6h 1 . 2 . 178 . 1 1 5 ASP HB3 H 7.372 -1.523 -5.527 . . . 1.0 . . . . . . . . . . . . A . 5 ASP HB3 . . . . . . . . . c19133_2m6h 1 . 2 . 179 . 1 1 5 ASP N N 6.709 -4.570 -4.243 . . . 1.0 . . . . . . . . . . . . A . 5 ASP N . . . . . . . . . c19133_2m6h 1 . 2 . 180 . 1 1 5 ASP O O 5.670 -1.554 -3.489 . . . 1.0 . . . . . . . . . . . . A . 5 ASP O . . . . . . . . . c19133_2m6h 1 . 2 . 181 . 1 1 5 ASP OD1 O 9.249 -3.303 -6.371 . . . 1.0 . . . . . . . . . . . . A . 5 ASP OD1 . . . . . . . . . c19133_2m6h 1 . 2 . 182 . 1 1 5 ASP OD2 O 7.526 -3.620 -7.697 . . . 1.0 . . . . . . . . . . . . A . 5 ASP OD2 . . . . . . . . . c19133_2m6h 1 . 2 . 183 . 1 1 6 PRO C C 6.740 -0.327 -0.799 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . c19133_2m6h 1 . 2 . 184 . 1 1 6 PRO CA C 6.342 -1.799 -0.786 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . c19133_2m6h 1 . 2 . 185 . 1 1 6 PRO CB C 6.919 -2.499 0.447 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . c19133_2m6h 1 . 2 . 186 . 1 1 6 PRO CD C 7.965 -3.491 -1.460 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . c19133_2m6h 1 . 2 . 187 . 1 1 6 PRO CG C 8.195 -3.107 -0.024 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . c19133_2m6h 1 . 2 . 188 . 1 1 6 PRO HA H 5.265 -1.880 -0.777 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . c19133_2m6h 1 . 2 . 189 . 1 1 6 PRO HB2 H 7.092 -1.772 1.228 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB2 . . . . . . . . . c19133_2m6h 1 . 2 . 190 . 1 1 6 PRO HB3 H 6.228 -3.251 0.795 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . c19133_2m6h 1 . 2 . 191 . 1 1 6 PRO HD2 H 8.872 -3.368 -2.033 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD2 . . . . . . . . . c19133_2m6h 1 . 2 . 192 . 1 1 6 PRO HD3 H 7.610 -4.509 -1.526 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . c19133_2m6h 1 . 2 . 193 . 1 1 6 PRO HG2 H 8.994 -2.385 0.047 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG2 . . . . . . . . . c19133_2m6h 1 . 2 . 194 . 1 1 6 PRO HG3 H 8.424 -3.982 0.565 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . c19133_2m6h 1 . 2 . 195 . 1 1 6 PRO N N 6.929 -2.544 -1.905 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . c19133_2m6h 1 . 2 . 196 . 1 1 6 PRO O O 6.215 0.474 -0.026 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . c19133_2m6h 1 . 2 . 197 . 1 1 7 TRP C C 7.682 2.023 -3.107 . . . 1.0 . . . . . . . . . . . . A . 7 TRP C . . . . . . . . . c19133_2m6h 1 . 2 . 198 . 1 1 7 TRP CA C 8.138 1.399 -1.793 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CA . . . . . . . . . c19133_2m6h 1 . 2 . 199 . 1 1 7 TRP CB C 9.663 1.451 -1.691 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CB . . . . . . . . . c19133_2m6h 1 . 2 . 200 . 1 1 7 TRP CD1 C 10.887 3.632 -2.251 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD1 . . . . . . . . . c19133_2m6h 1 . 2 . 201 . 1 1 7 TRP CD2 C 10.070 3.544 -0.168 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD2 . . . . . . . . . c19133_2m6h 1 . 2 . 202 . 1 1 7 TRP CE2 C 10.714 4.784 -0.346 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE2 . . . . . . . . . c19133_2m6h 1 . 2 . 203 . 1 1 7 TRP CE3 C 9.477 3.264 1.066 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE3 . . . . . . . . . c19133_2m6h 1 . 2 . 204 . 1 1 7 TRP CG C 10.192 2.823 -1.399 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CG . . . . . . . . . c19133_2m6h 1 . 2 . 205 . 1 1 7 TRP CH2 C 10.193 5.439 1.863 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CH2 . . . . . . . . . c19133_2m6h 1 . 2 . 206 . 1 1 7 TRP CZ2 C 10.781 5.739 0.665 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ2 . . . . . . . . . c19133_2m6h 1 . 2 . 207 . 1 1 7 TRP CZ3 C 9.546 4.213 2.069 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ3 . . . . . . . . . c19133_2m6h 1 . 2 . 208 . 1 1 7 TRP H H 8.052 -0.662 -2.270 . . . 1.0 . . . . . . . . . . . . A . 7 TRP H . . . . . . . . . c19133_2m6h 1 . 2 . 209 . 1 1 7 TRP HA H 7.712 1.961 -0.975 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HA . . . . . . . . . c19133_2m6h 1 . 2 . 210 . 1 1 7 TRP HB2 H 9.987 0.793 -0.899 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB2 . . . . . . . . . c19133_2m6h 1 . 2 . 211 . 1 1 7 TRP HB3 H 10.090 1.121 -2.627 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB3 . . . . . . . . . c19133_2m6h 1 . 2 . 212 . 1 1 7 TRP HD1 H 11.144 3.368 -3.265 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HD1 . . . . . . . . . c19133_2m6h 1 . 2 . 213 . 1 1 7 TRP HE1 H 11.701 5.556 -2.028 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE1 . . . . . . . . . c19133_2m6h 1 . 2 . 214 . 1 1 7 TRP HE3 H 8.973 2.325 1.244 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE3 . . . . . . . . . c19133_2m6h 1 . 2 . 215 . 1 1 7 TRP HH2 H 10.222 6.150 2.674 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HH2 . . . . . . . . . c19133_2m6h 1 . 2 . 216 . 1 1 7 TRP HZ2 H 11.276 6.689 0.522 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ2 . . . . . . . . . c19133_2m6h 1 . 2 . 217 . 1 1 7 TRP HZ3 H 9.094 4.014 3.030 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ3 . . . . . . . . . c19133_2m6h 1 . 2 . 218 . 1 1 7 TRP N N 7.670 0.022 -1.680 . . . 1.0 . . . . . . . . . . . . A . 7 TRP N . . . . . . . . . c19133_2m6h 1 . 2 . 219 . 1 1 7 TRP NE1 N 11.205 4.813 -1.624 . . . 1.0 . . . . . . . . . . . . A . 7 TRP NE1 . . . . . . . . . c19133_2m6h 1 . 2 . 220 . 1 1 7 TRP O O 8.195 3.062 -3.524 . . . 1.0 . . . . . . . . . . . . A . 7 TRP O . . . . . . . . . c19133_2m6h 1 . 2 . 221 . 1 1 8 CYS C C 5.498 3.223 -4.841 . . . 1.0 . . . . . . . . . . . . A . 8 CYS C . . . . . . . . . c19133_2m6h 1 . 2 . 222 . 1 1 8 CYS CA C 6.190 1.875 -5.025 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CA . . . . . . . . . c19133_2m6h 1 . 2 . 223 . 1 1 8 CYS CB C 5.209 0.864 -5.622 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CB . . . . . . . . . c19133_2m6h 1 . 2 . 224 . 1 1 8 CYS H H 6.345 0.560 -3.374 . . . 1.0 . . . . . . . . . . . . A . 8 CYS H . . . . . . . . . c19133_2m6h 1 . 2 . 225 . 1 1 8 CYS HA H 7.021 2.001 -5.702 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HA . . . . . . . . . c19133_2m6h 1 . 2 . 226 . 1 1 8 CYS HB2 H 4.999 1.139 -6.645 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB2 . . . . . . . . . c19133_2m6h 1 . 2 . 227 . 1 1 8 CYS HB3 H 5.660 -0.117 -5.603 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB3 . . . . . . . . . c19133_2m6h 1 . 2 . 228 . 1 1 8 CYS N N 6.715 1.384 -3.757 . . . 1.0 . . . . . . . . . . . . A . 8 CYS N . . . . . . . . . c19133_2m6h 1 . 2 . 229 . 1 1 8 CYS O O 6.015 4.259 -5.260 . . . 1.0 . . . . . . . . . . . . A . 8 CYS O . . . . . . . . . c19133_2m6h 1 . 2 . 230 . 1 1 8 CYS SG S 3.619 0.761 -4.739 . . . 1.0 . . . . . . . . . . . . A . 8 CYS SG . . . . . . . . . c19133_2m6h 1 . 3 . 231 . 1 1 1 GLY C C 1.784 -1.436 -2.314 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c19133_2m6h 1 . 3 . 232 . 1 1 1 GLY CA C 2.086 -0.287 -1.372 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c19133_2m6h 1 . 3 . 233 . 1 1 1 GLY H1 H 2.333 -1.663 0.218 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c19133_2m6h 1 . 3 . 234 . 1 1 1 GLY HA2 H 1.298 0.447 -1.452 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c19133_2m6h 1 . 3 . 235 . 1 1 1 GLY HA3 H 3.019 0.169 -1.667 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c19133_2m6h 1 . 3 . 236 . 1 1 1 GLY N N 2.191 -0.716 0.010 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c19133_2m6h 1 . 3 . 237 . 1 1 1 GLY O O 0.649 -1.908 -2.386 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c19133_2m6h 1 . 3 . 238 . 1 1 2 CYS C C 3.417 -4.216 -3.523 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . c19133_2m6h 1 . 3 . 239 . 1 1 2 CYS CA C 2.641 -2.985 -3.984 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . c19133_2m6h 1 . 3 . 240 . 1 1 2 CYS CB C 3.114 -2.563 -5.376 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . c19133_2m6h 1 . 3 . 241 . 1 1 2 CYS H H 3.684 -1.469 -2.938 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . c19133_2m6h 1 . 3 . 242 . 1 1 2 CYS HA H 1.592 -3.233 -4.030 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . c19133_2m6h 1 . 3 . 243 . 1 1 2 CYS HB2 H 4.194 -2.534 -5.388 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . c19133_2m6h 1 . 3 . 244 . 1 1 2 CYS HB3 H 2.771 -3.287 -6.100 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . c19133_2m6h 1 . 3 . 245 . 1 1 2 CYS N N 2.802 -1.886 -3.040 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . c19133_2m6h 1 . 3 . 246 . 1 1 2 CYS O O 4.397 -4.123 -2.785 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . c19133_2m6h 1 . 3 . 247 . 1 1 2 CYS SG S 2.512 -0.925 -5.901 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . c19133_2m6h 1 . 3 . 248 . 1 1 3 PRO C C 4.974 -6.835 -4.268 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . c19133_2m6h 1 . 3 . 249 . 1 1 3 PRO CA C 3.605 -6.671 -3.616 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . c19133_2m6h 1 . 3 . 250 . 1 1 3 PRO CB C 2.628 -7.719 -4.155 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . c19133_2m6h 1 . 3 . 251 . 1 1 3 PRO CD C 1.804 -5.586 -4.852 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . c19133_2m6h 1 . 3 . 252 . 1 1 3 PRO CG C 1.905 -7.029 -5.261 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . c19133_2m6h 1 . 3 . 253 . 1 1 3 PRO HA H 3.701 -6.784 -2.546 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . c19133_2m6h 1 . 3 . 254 . 1 1 3 PRO HB2 H 3.178 -8.576 -4.517 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . c19133_2m6h 1 . 3 . 255 . 1 1 3 PRO HB3 H 1.951 -8.023 -3.371 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . c19133_2m6h 1 . 3 . 256 . 1 1 3 PRO HD2 H 1.870 -4.943 -5.717 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . c19133_2m6h 1 . 3 . 257 . 1 1 3 PRO HD3 H 0.883 -5.408 -4.317 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . c19133_2m6h 1 . 3 . 258 . 1 1 3 PRO HG2 H 2.464 -7.121 -6.179 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . c19133_2m6h 1 . 3 . 259 . 1 1 3 PRO HG3 H 0.919 -7.455 -5.376 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . c19133_2m6h 1 . 3 . 260 . 1 1 3 PRO N N 2.968 -5.399 -3.969 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . c19133_2m6h 1 . 3 . 261 . 1 1 3 PRO O O 5.044 -7.015 -5.483 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . c19133_2m6h 1 . 3 . 262 . 1 1 4 DTR C C 7.994 -5.516 -4.057 . . . 1.0 . . . . . . . . . . . . A . 4 DTR C . . . . . . . . . c19133_2m6h 1 . 3 . 263 . 1 1 4 DTR CA C 7.373 -6.911 -3.968 . . . 1.0 . . . . . . . . . . . . A . 4 DTR CA . . . . . . . . . c19133_2m6h 1 . 3 . 264 . 1 1 4 DTR CB C 8.187 -7.874 -3.101 . . . 1.0 . . . . . . . . . . . . A . 4 DTR CB . . . . . . . . . c19133_2m6h 1 . 3 . 265 . 1 1 4 DTR CD1 C 7.257 -10.118 -2.230 . . . 1.0 . . . . . . . . . . . . A . 4 DTR CD1 . . . . . . . . . c19133_2m6h 1 . 3 . 266 . 1 1 4 DTR CD2 C 7.754 -10.156 -4.389 . . . 1.0 . . . . . . . . . . . . A . 4 DTR CD2 . . . . . . . . . c19133_2m6h 1 . 3 . 267 . 1 1 4 DTR CE2 C 7.272 -11.405 -4.054 . . . 1.0 . . . . . . . . . . . . A . 4 DTR CE2 . . . . . . . . . c19133_2m6h 1 . 3 . 268 . 1 1 4 DTR CE3 C 8.161 -9.855 -5.701 . . . 1.0 . . . . . . . . . . . . A . 4 DTR CE3 . . . . . . . . . c19133_2m6h 1 . 3 . 269 . 1 1 4 DTR CG C 7.740 -9.333 -3.203 . . . 1.0 . . . . . . . . . . . . A . 4 DTR CG . . . . . . . . . c19133_2m6h 1 . 3 . 270 . 1 1 4 DTR CH2 C 7.551 -12.175 -6.289 . . . 1.0 . . . . . . . . . . . . A . 4 DTR CH2 . . . . . . . . . c19133_2m6h 1 . 3 . 271 . 1 1 4 DTR CZ2 C 7.152 -12.452 -4.976 . . . 1.0 . . . . . . . . . . . . A . 4 DTR CZ2 . . . . . . . . . c19133_2m6h 1 . 3 . 272 . 1 1 4 DTR CZ3 C 8.034 -10.912 -6.610 . . . 1.0 . . . . . . . . . . . . A . 4 DTR CZ3 . . . . . . . . . c19133_2m6h 1 . 3 . 273 . 1 1 4 DTR H H 5.954 -6.622 -2.470 . . . 1.0 . . . . . . . . . . . . A . 4 DTR H . . . . . . . . . c19133_2m6h 1 . 3 . 274 . 1 1 4 DTR HA H 7.309 -7.355 -4.961 . . . 1.0 . . . . . . . . . . . . A . 4 DTR HA . . . . . . . . . c19133_2m6h 1 . 3 . 275 . 1 1 4 DTR HB2 H 8.120 -7.555 -2.061 . . . 1.0 . . . . . . . . . . . . A . 4 DTR HB2 . . . . . . . . . c19133_2m6h 1 . 3 . 276 . 1 1 4 DTR HB3 H 9.237 -7.805 -3.388 . . . 1.0 . . . . . . . . . . . . A . 4 DTR HB3 . . . . . . . . . c19133_2m6h 1 . 3 . 277 . 1 1 4 DTR HD1 H 7.117 -9.799 -1.198 . . . 1.0 . . . . . . . . . . . . A . 4 DTR HD1 . . . . . . . . . c19133_2m6h 1 . 3 . 278 . 1 1 4 DTR HE1 H 6.556 -12.208 -2.116 . . . 1.0 . . . . . . . . . . . . A . 4 DTR HE1 . . . . . . . . . c19133_2m6h 1 . 3 . 279 . 1 1 4 DTR HE3 H 8.545 -8.876 -5.990 . . . 1.0 . . . . . . . . . . . . A . 4 DTR HE3 . . . . . . . . . c19133_2m6h 1 . 3 . 280 . 1 1 4 DTR HH2 H 7.483 -12.946 -7.056 . . . 1.0 . . . . . . . . . . . . A . 4 DTR HH2 . . . . . . . . . c19133_2m6h 1 . 3 . 281 . 1 1 4 DTR HZ2 H 6.768 -13.430 -4.687 . . . 1.0 . . . . . . . . . . . . A . 4 DTR HZ2 . . . . . . . . . c19133_2m6h 1 . 3 . 282 . 1 1 4 DTR HZ3 H 8.336 -10.732 -7.641 . . . 1.0 . . . . . . . . . . . . A . 4 DTR HZ3 . . . . . . . . . c19133_2m6h 1 . 3 . 283 . 1 1 4 DTR N N 6.020 -6.769 -3.457 . . . 1.0 . . . . . . . . . . . . A . 4 DTR N . . . . . . . . . c19133_2m6h 1 . 3 . 284 . 1 1 4 DTR NE1 N 6.960 -11.381 -2.700 . . . 1.0 . . . . . . . . . . . . A . 4 DTR NE1 . . . . . . . . . c19133_2m6h 1 . 3 . 285 . 1 1 4 DTR O O 9.210 -5.338 -3.998 . . . 1.0 . . . . . . . . . . . . A . 4 DTR O . . . . . . . . . c19133_2m6h 1 . 3 . 286 . 1 1 5 ASP C C 6.790 -2.253 -3.321 . . . 1.0 . . . . . . . . . . . . A . 5 ASP C . . . . . . . . . c19133_2m6h 1 . 3 . 287 . 1 1 5 ASP CA C 7.558 -3.134 -4.301 . . . 1.0 . . . . . . . . . . . . A . 5 ASP CA . . . . . . . . . c19133_2m6h 1 . 3 . 288 . 1 1 5 ASP CB C 7.367 -2.618 -5.728 . . . 1.0 . . . . . . . . . . . . A . 5 ASP CB . . . . . . . . . c19133_2m6h 1 . 3 . 289 . 1 1 5 ASP CG C 8.094 -1.310 -5.973 . . . 1.0 . . . . . . . . . . . . A . 5 ASP CG . . . . . . . . . c19133_2m6h 1 . 3 . 290 . 1 1 5 ASP H H 6.166 -4.728 -4.243 . . . 1.0 . . . . . . . . . . . . A . 5 ASP H . . . . . . . . . c19133_2m6h 1 . 3 . 291 . 1 1 5 ASP HA H 8.608 -3.096 -4.053 . . . 1.0 . . . . . . . . . . . . A . 5 ASP HA . . . . . . . . . c19133_2m6h 1 . 3 . 292 . 1 1 5 ASP HB2 H 7.743 -3.354 -6.424 . . . 1.0 . . . . . . . . . . . . A . 5 ASP HB2 . . . . . . . . . c19133_2m6h 1 . 3 . 293 . 1 1 5 ASP HB3 H 6.313 -2.463 -5.910 . . . 1.0 . . . . . . . . . . . . A . 5 ASP HB3 . . . . . . . . . c19133_2m6h 1 . 3 . 294 . 1 1 5 ASP N N 7.124 -4.522 -4.202 . . . 1.0 . . . . . . . . . . . . A . 5 ASP N . . . . . . . . . c19133_2m6h 1 . 3 . 295 . 1 1 5 ASP O O 5.852 -1.545 -3.688 . . . 1.0 . . . . . . . . . . . . A . 5 ASP O . . . . . . . . . c19133_2m6h 1 . 3 . 296 . 1 1 5 ASP OD1 O 8.707 -0.785 -5.021 . . . 1.0 . . . . . . . . . . . . A . 5 ASP OD1 . . . . . . . . . c19133_2m6h 1 . 3 . 297 . 1 1 5 ASP OD2 O 8.049 -0.812 -7.118 . . . 1.0 . . . . . . . . . . . . A . 5 ASP OD2 . . . . . . . . . c19133_2m6h 1 . 3 . 298 . 1 1 6 PRO C C 6.836 -0.016 -1.123 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . c19133_2m6h 1 . 3 . 299 . 1 1 6 PRO CA C 6.557 -1.509 -0.984 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . c19133_2m6h 1 . 3 . 300 . 1 1 6 PRO CB C 7.195 -2.055 0.297 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . c19133_2m6h 1 . 3 . 301 . 1 1 6 PRO CD C 8.305 -3.118 -1.534 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . c19133_2m6h 1 . 3 . 302 . 1 1 6 PRO CG C 8.512 -2.598 -0.138 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . c19133_2m6h 1 . 3 . 303 . 1 1 6 PRO HA H 5.490 -1.673 -0.954 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . c19133_2m6h 1 . 3 . 304 . 1 1 6 PRO HB2 H 7.313 -1.253 1.012 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB2 . . . . . . . . . c19133_2m6h 1 . 3 . 305 . 1 1 6 PRO HB3 H 6.568 -2.828 0.714 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . c19133_2m6h 1 . 3 . 306 . 1 1 6 PRO HD2 H 9.196 -2.972 -2.127 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD2 . . . . . . . . . c19133_2m6h 1 . 3 . 307 . 1 1 6 PRO HD3 H 8.032 -4.163 -1.510 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . c19133_2m6h 1 . 3 . 308 . 1 1 6 PRO HG2 H 9.252 -1.812 -0.137 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG2 . . . . . . . . . c19133_2m6h 1 . 3 . 309 . 1 1 6 PRO HG3 H 8.813 -3.399 0.519 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . c19133_2m6h 1 . 3 . 310 . 1 1 6 PRO N N 7.194 -2.296 -2.043 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . c19133_2m6h 1 . 3 . 311 . 1 1 6 PRO O O 6.253 0.803 -0.413 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . c19133_2m6h 1 . 3 . 312 . 1 1 7 TRP C C 7.575 2.198 -3.631 . . . 1.0 . . . . . . . . . . . . A . 7 TRP C . . . . . . . . . c19133_2m6h 1 . 3 . 313 . 1 1 7 TRP CA C 8.086 1.725 -2.274 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CA . . . . . . . . . c19133_2m6h 1 . 3 . 314 . 1 1 7 TRP CB C 9.603 1.906 -2.195 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CB . . . . . . . . . c19133_2m6h 1 . 3 . 315 . 1 1 7 TRP CD1 C 11.018 1.721 -0.066 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD1 . . . . . . . . . c19133_2m6h 1 . 3 . 316 . 1 1 7 TRP CD2 C 9.639 3.486 -0.105 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD2 . . . . . . . . . c19133_2m6h 1 . 3 . 317 . 1 1 7 TRP CE2 C 10.354 3.500 1.109 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE2 . . . . . . . . . c19133_2m6h 1 . 3 . 318 . 1 1 7 TRP CE3 C 8.713 4.502 -0.354 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE3 . . . . . . . . . c19133_2m6h 1 . 3 . 319 . 1 1 7 TRP CG C 10.079 2.340 -0.842 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CG . . . . . . . . . c19133_2m6h 1 . 3 . 320 . 1 1 7 TRP CH2 C 9.255 5.473 1.800 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CH2 . . . . . . . . . c19133_2m6h 1 . 3 . 321 . 1 1 7 TRP CZ2 C 10.168 4.491 2.070 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ2 . . . . . . . . . c19133_2m6h 1 . 3 . 322 . 1 1 7 TRP CZ3 C 8.530 5.484 0.601 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ3 . . . . . . . . . c19133_2m6h 1 . 3 . 323 . 1 1 7 TRP H H 8.162 -0.369 -2.577 . . . 1.0 . . . . . . . . . . . . A . 7 TRP H . . . . . . . . . c19133_2m6h 1 . 3 . 324 . 1 1 7 TRP HA H 7.621 2.318 -1.501 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HA . . . . . . . . . c19133_2m6h 1 . 3 . 325 . 1 1 7 TRP HB2 H 10.084 0.970 -2.434 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB2 . . . . . . . . . c19133_2m6h 1 . 3 . 326 . 1 1 7 TRP HB3 H 9.906 2.655 -2.912 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB3 . . . . . . . . . c19133_2m6h 1 . 3 . 327 . 1 1 7 TRP HD1 H 11.540 0.819 -0.347 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HD1 . . . . . . . . . c19133_2m6h 1 . 3 . 328 . 1 1 7 TRP HE1 H 11.806 2.169 1.829 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE1 . . . . . . . . . c19133_2m6h 1 . 3 . 329 . 1 1 7 TRP HE3 H 8.145 4.528 -1.272 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE3 . . . . . . . . . c19133_2m6h 1 . 3 . 330 . 1 1 7 TRP HH2 H 9.079 6.260 2.517 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HH2 . . . . . . . . . c19133_2m6h 1 . 3 . 331 . 1 1 7 TRP HZ2 H 10.720 4.496 2.998 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ2 . . . . . . . . . c19133_2m6h 1 . 3 . 332 . 1 1 7 TRP HZ3 H 7.818 6.278 0.427 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ3 . . . . . . . . . c19133_2m6h 1 . 3 . 333 . 1 1 7 TRP N N 7.730 0.330 -2.042 . . . 1.0 . . . . . . . . . . . . A . 7 TRP N . . . . . . . . . c19133_2m6h 1 . 3 . 334 . 1 1 7 TRP NE1 N 11.187 2.413 1.109 . . . 1.0 . . . . . . . . . . . . A . 7 TRP NE1 . . . . . . . . . c19133_2m6h 1 . 3 . 335 . 1 1 7 TRP O O 8.003 3.235 -4.139 . . . 1.0 . . . . . . . . . . . . A . 7 TRP O . . . . . . . . . c19133_2m6h 1 . 3 . 336 . 1 1 8 CYS C C 5.293 3.073 -5.432 . . . 1.0 . . . . . . . . . . . . A . 8 CYS C . . . . . . . . . c19133_2m6h 1 . 3 . 337 . 1 1 8 CYS CA C 6.089 1.773 -5.511 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CA . . . . . . . . . c19133_2m6h 1 . 3 . 338 . 1 1 8 CYS CB C 5.190 0.641 -6.010 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CB . . . . . . . . . c19133_2m6h 1 . 3 . 339 . 1 1 8 CYS H H 6.357 0.617 -3.758 . . . 1.0 . . . . . . . . . . . . A . 8 CYS H . . . . . . . . . c19133_2m6h 1 . 3 . 340 . 1 1 8 CYS HA H 6.904 1.907 -6.206 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HA . . . . . . . . . c19133_2m6h 1 . 3 . 341 . 1 1 8 CYS HB2 H 4.954 0.811 -7.051 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB2 . . . . . . . . . c19133_2m6h 1 . 3 . 342 . 1 1 8 CYS HB3 H 5.718 -0.296 -5.915 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB3 . . . . . . . . . c19133_2m6h 1 . 3 . 343 . 1 1 8 CYS N N 6.659 1.433 -4.213 . . . 1.0 . . . . . . . . . . . . A . 8 CYS N . . . . . . . . . c19133_2m6h 1 . 3 . 344 . 1 1 8 CYS O O 5.823 4.154 -5.689 . . . 1.0 . . . . . . . . . . . . A . 8 CYS O . . . . . . . . . c19133_2m6h 1 . 3 . 345 . 1 1 8 CYS SG S 3.617 0.486 -5.104 . . . 1.0 . . . . . . . . . . . . A . 8 CYS SG . . . . . . . . . c19133_2m6h 1 . 4 . 346 . 1 1 1 GLY C C 1.710 -1.005 -2.324 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c19133_2m6h 1 . 4 . 347 . 1 1 1 GLY CA C 2.102 0.119 -1.386 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c19133_2m6h 1 . 4 . 348 . 1 1 1 GLY H1 H 0.481 -0.397 -0.127 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c19133_2m6h 1 . 4 . 349 . 1 1 1 GLY HA2 H 1.984 1.061 -1.901 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c19133_2m6h 1 . 4 . 350 . 1 1 1 GLY HA3 H 3.140 -0.002 -1.112 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c19133_2m6h 1 . 4 . 351 . 1 1 1 GLY N N 1.299 0.141 -0.178 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c19133_2m6h 1 . 4 . 352 . 1 1 1 GLY O O 0.539 -1.381 -2.399 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c19133_2m6h 1 . 4 . 353 . 1 1 2 CYS C C 3.108 -3.920 -3.510 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . c19133_2m6h 1 . 4 . 354 . 1 1 2 CYS CA C 2.441 -2.631 -3.982 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . c19133_2m6h 1 . 4 . 355 . 1 1 2 CYS CB C 2.954 -2.257 -5.374 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . c19133_2m6h 1 . 4 . 356 . 1 1 2 CYS H H 3.603 -1.202 -2.938 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . c19133_2m6h 1 . 4 . 357 . 1 1 2 CYS HA H 1.374 -2.789 -4.031 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . c19133_2m6h 1 . 4 . 358 . 1 1 2 CYS HB2 H 4.033 -2.319 -5.379 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . c19133_2m6h 1 . 4 . 359 . 1 1 2 CYS HB3 H 2.555 -2.955 -6.095 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . c19133_2m6h 1 . 4 . 360 . 1 1 2 CYS N N 2.689 -1.544 -3.042 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . c19133_2m6h 1 . 4 . 361 . 1 1 2 CYS O O 4.090 -3.905 -2.768 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . c19133_2m6h 1 . 4 . 362 . 1 1 2 CYS SG S 2.494 -0.578 -5.910 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . c19133_2m6h 1 . 4 . 363 . 1 1 3 PRO C C 4.443 -6.664 -4.233 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . c19133_2m6h 1 . 4 . 364 . 1 1 3 PRO CA C 3.089 -6.383 -3.589 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . c19133_2m6h 1 . 4 . 365 . 1 1 3 PRO CB C 2.030 -7.348 -4.128 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . c19133_2m6h 1 . 4 . 366 . 1 1 3 PRO CD C 1.392 -5.156 -4.840 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . c19133_2m6h 1 . 4 . 367 . 1 1 3 PRO CG C 1.373 -6.606 -5.240 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . c19133_2m6h 1 . 4 . 368 . 1 1 3 PRO HA H 3.171 -6.497 -2.518 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . c19133_2m6h 1 . 4 . 369 . 1 1 3 PRO HB2 H 2.508 -8.250 -4.482 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . c19133_2m6h 1 . 4 . 370 . 1 1 3 PRO HB3 H 1.327 -7.589 -3.345 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . c19133_2m6h 1 . 4 . 371 . 1 1 3 PRO HD2 H 1.516 -4.527 -5.709 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . c19133_2m6h 1 . 4 . 372 . 1 1 3 PRO HD3 H 0.487 -4.899 -4.311 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . c19133_2m6h 1 . 4 . 373 . 1 1 3 PRO HG2 H 1.927 -6.750 -6.155 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . c19133_2m6h 1 . 4 . 374 . 1 1 3 PRO HG3 H 0.355 -6.948 -5.358 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . c19133_2m6h 1 . 4 . 375 . 1 1 3 PRO N N 2.563 -5.064 -3.952 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . c19133_2m6h 1 . 4 . 376 . 1 1 3 PRO O O 4.503 -6.856 -5.447 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . c19133_2m6h 1 . 4 . 377 . 1 1 4 DTR C C 7.562 -5.605 -4.013 . . . 1.0 . . . . . . . . . . . . A . 4 DTR C . . . . . . . . . c19133_2m6h 1 . 4 . 378 . 1 1 4 DTR CA C 6.825 -6.942 -3.920 . . . 1.0 . . . . . . . . . . . . A . 4 DTR CA . . . . . . . . . c19133_2m6h 1 . 4 . 379 . 1 1 4 DTR CB C 7.551 -7.966 -3.045 . . . 1.0 . . . . . . . . . . . . A . 4 DTR CB . . . . . . . . . c19133_2m6h 1 . 4 . 380 . 1 1 4 DTR CD1 C 6.341 -10.208 -3.454 . . . 1.0 . . . . . . . . . . . . A . 4 DTR CD1 . . . . . . . . . c19133_2m6h 1 . 4 . 381 . 1 1 4 DTR CD2 C 8.435 -10.200 -4.178 . . . 1.0 . . . . . . . . . . . . A . 4 DTR CD2 . . . . . . . . . c19133_2m6h 1 . 4 . 382 . 1 1 4 DTR CE2 C 7.907 -11.444 -4.455 . . . 1.0 . . . . . . . . . . . . A . 4 DTR CE2 . . . . . . . . . c19133_2m6h 1 . 4 . 383 . 1 1 4 DTR CE3 C 9.759 -9.873 -4.517 . . . 1.0 . . . . . . . . . . . . A . 4 DTR CE3 . . . . . . . . . c19133_2m6h 1 . 4 . 384 . 1 1 4 DTR CG C 7.414 -9.410 -3.532 . . . 1.0 . . . . . . . . . . . . A . 4 DTR CG . . . . . . . . . c19133_2m6h 1 . 4 . 385 . 1 1 4 DTR CH2 C 9.956 -12.160 -5.431 . . . 1.0 . . . . . . . . . . . . A . 4 DTR CH2 . . . . . . . . . c19133_2m6h 1 . 4 . 386 . 1 1 4 DTR CZ2 C 8.634 -12.462 -5.084 . . . 1.0 . . . . . . . . . . . . A . 4 DTR CZ2 . . . . . . . . . c19133_2m6h 1 . 4 . 387 . 1 1 4 DTR CZ3 C 10.473 -10.901 -5.145 . . . 1.0 . . . . . . . . . . . . A . 4 DTR CZ3 . . . . . . . . . c19133_2m6h 1 . 4 . 388 . 1 1 4 DTR H H 5.428 -6.527 -2.431 . . . 1.0 . . . . . . . . . . . . A . 4 DTR H . . . . . . . . . c19133_2m6h 1 . 4 . 389 . 1 1 4 DTR HA H 6.728 -7.384 -4.912 . . . 1.0 . . . . . . . . . . . . A . 4 DTR HA . . . . . . . . . c19133_2m6h 1 . 4 . 390 . 1 1 4 DTR HB2 H 7.165 -7.898 -2.028 . . . 1.0 . . . . . . . . . . . . A . 4 DTR HB2 . . . . . . . . . c19133_2m6h 1 . 4 . 391 . 1 1 4 DTR HB3 H 8.609 -7.706 -3.002 . . . 1.0 . . . . . . . . . . . . A . 4 DTR HB3 . . . . . . . . . c19133_2m6h 1 . 4 . 392 . 1 1 4 DTR HD1 H 5.388 -9.914 -3.015 . . . 1.0 . . . . . . . . . . . . A . 4 DTR HD1 . . . . . . . . . c19133_2m6h 1 . 4 . 393 . 1 1 4 DTR HE1 H 5.892 -12.281 -4.065 . . . 1.0 . . . . . . . . . . . . A . 4 DTR HE1 . . . . . . . . . c19133_2m6h 1 . 4 . 394 . 1 1 4 DTR HE3 H 10.199 -8.898 -4.309 . . . 1.0 . . . . . . . . . . . . A . 4 DTR HE3 . . . . . . . . . c19133_2m6h 1 . 4 . 395 . 1 1 4 DTR HH2 H 10.578 -12.908 -5.923 . . . 1.0 . . . . . . . . . . . . A . 4 DTR HH2 . . . . . . . . . c19133_2m6h 1 . 4 . 396 . 1 1 4 DTR HZ2 H 8.194 -13.438 -5.292 . . . 1.0 . . . . . . . . . . . . A . 4 DTR HZ2 . . . . . . . . . c19133_2m6h 1 . 4 . 397 . 1 1 4 DTR HZ3 H 11.506 -10.701 -5.429 . . . 1.0 . . . . . . . . . . . . A . 4 DTR HZ3 . . . . . . . . . c19133_2m6h 1 . 4 . 398 . 1 1 4 DTR N N 5.486 -6.684 -3.417 . . . 1.0 . . . . . . . . . . . . A . 4 DTR N . . . . . . . . . c19133_2m6h 1 . 4 . 399 . 1 1 4 DTR NE1 N 6.593 -11.450 -4.001 . . . 1.0 . . . . . . . . . . . . A . 4 DTR NE1 . . . . . . . . . c19133_2m6h 1 . 4 . 400 . 1 1 4 DTR O O 8.789 -5.530 -3.949 . . . 1.0 . . . . . . . . . . . . A . 4 DTR O . . . . . . . . . c19133_2m6h 1 . 4 . 401 . 1 1 5 ASP C C 6.634 -2.248 -3.299 . . . 1.0 . . . . . . . . . . . . A . 5 ASP C . . . . . . . . . c19133_2m6h 1 . 4 . 402 . 1 1 5 ASP CA C 7.330 -3.196 -4.270 . . . 1.0 . . . . . . . . . . . . A . 5 ASP CA . . . . . . . . . c19133_2m6h 1 . 4 . 403 . 1 1 5 ASP CB C 7.190 -2.673 -5.701 . . . 1.0 . . . . . . . . . . . . A . 5 ASP CB . . . . . . . . . c19133_2m6h 1 . 4 . 404 . 1 1 5 ASP CG C 7.754 -3.636 -6.727 . . . 1.0 . . . . . . . . . . . . A . 5 ASP CG . . . . . . . . . c19133_2m6h 1 . 4 . 405 . 1 1 5 ASP H H 5.808 -4.666 -4.211 . . . 1.0 . . . . . . . . . . . . A . 5 ASP H . . . . . . . . . c19133_2m6h 1 . 4 . 406 . 1 1 5 ASP HA H 8.378 -3.246 -4.016 . . . 1.0 . . . . . . . . . . . . A . 5 ASP HA . . . . . . . . . c19133_2m6h 1 . 4 . 407 . 1 1 5 ASP HB2 H 6.144 -2.516 -5.919 . . . 1.0 . . . . . . . . . . . . A . 5 ASP HB2 . . . . . . . . . c19133_2m6h 1 . 4 . 408 . 1 1 5 ASP HB3 H 7.717 -1.734 -5.787 . . . 1.0 . . . . . . . . . . . . A . 5 ASP HB3 . . . . . . . . . c19133_2m6h 1 . 4 . 409 . 1 1 5 ASP N N 6.779 -4.542 -4.167 . . . 1.0 . . . . . . . . . . . . A . 5 ASP N . . . . . . . . . c19133_2m6h 1 . 4 . 410 . 1 1 5 ASP O O 5.760 -1.466 -3.675 . . . 1.0 . . . . . . . . . . . . A . 5 ASP O . . . . . . . . . c19133_2m6h 1 . 4 . 411 . 1 1 5 ASP OD1 O 8.969 -3.560 -7.006 . . . 1.0 . . . . . . . . . . . . A . 5 ASP OD1 . . . . . . . . . c19133_2m6h 1 . 4 . 412 . 1 1 5 ASP OD2 O 6.981 -4.465 -7.251 . . . 1.0 . . . . . . . . . . . . A . 5 ASP OD2 . . . . . . . . . c19133_2m6h 1 . 4 . 413 . 1 1 6 PRO C C 6.858 -0.011 -1.113 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . c19133_2m6h 1 . 4 . 414 . 1 1 6 PRO CA C 6.454 -1.474 -0.966 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . c19133_2m6h 1 . 4 . 415 . 1 1 6 PRO CB C 7.038 -2.064 0.320 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . c19133_2m6h 1 . 4 . 416 . 1 1 6 PRO CD C 8.064 -3.227 -1.499 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . c19133_2m6h 1 . 4 . 417 . 1 1 6 PRO CG C 8.307 -2.718 -0.106 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . c19133_2m6h 1 . 4 . 418 . 1 1 6 PRO HA H 5.377 -1.548 -0.942 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . c19133_2m6h 1 . 4 . 419 . 1 1 6 PRO HB2 H 7.220 -1.271 1.032 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB2 . . . . . . . . . c19133_2m6h 1 . 4 . 420 . 1 1 6 PRO HB3 H 6.346 -2.779 0.738 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . c19133_2m6h 1 . 4 . 421 . 1 1 6 PRO HD2 H 8.966 -3.160 -2.089 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD2 . . . . . . . . . c19133_2m6h 1 . 4 . 422 . 1 1 6 PRO HD3 H 7.704 -4.245 -1.472 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . c19133_2m6h 1 . 4 . 423 . 1 1 6 PRO HG2 H 9.110 -1.997 -0.105 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG2 . . . . . . . . . c19133_2m6h 1 . 4 . 424 . 1 1 6 PRO HG3 H 8.537 -3.538 0.558 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . c19133_2m6h 1 . 4 . 425 . 1 1 6 PRO N N 7.028 -2.318 -2.019 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . c19133_2m6h 1 . 4 . 426 . 1 1 6 PRO O O 6.342 0.858 -0.410 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . c19133_2m6h 1 . 4 . 427 . 1 1 7 TRP C C 7.792 2.119 -3.629 . . . 1.0 . . . . . . . . . . . . A . 7 TRP C . . . . . . . . . c19133_2m6h 1 . 4 . 428 . 1 1 7 TRP CA C 8.254 1.613 -2.267 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CA . . . . . . . . . c19133_2m6h 1 . 4 . 429 . 1 1 7 TRP CB C 9.781 1.667 -2.180 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CB . . . . . . . . . c19133_2m6h 1 . 4 . 430 . 1 1 7 TRP CD1 C 11.175 3.768 -1.720 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD1 . . . . . . . . . c19133_2m6h 1 . 4 . 431 . 1 1 7 TRP CD2 C 9.939 3.083 0.018 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD2 . . . . . . . . . c19133_2m6h 1 . 4 . 432 . 1 1 7 TRP CE2 C 10.652 4.237 0.400 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE2 . . . . . . . . . c19133_2m6h 1 . 4 . 433 . 1 1 7 TRP CE3 C 9.093 2.476 0.950 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE3 . . . . . . . . . c19133_2m6h 1 . 4 . 434 . 1 1 7 TRP CG C 10.288 2.801 -1.341 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CG . . . . . . . . . c19133_2m6h 1 . 4 . 435 . 1 1 7 TRP CH2 C 9.708 4.176 2.564 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CH2 . . . . . . . . . c19133_2m6h 1 . 4 . 436 . 1 1 7 TRP CZ2 C 10.544 4.792 1.672 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ2 . . . . . . . . . c19133_2m6h 1 . 4 . 437 . 1 1 7 TRP CZ3 C 8.987 3.027 2.213 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ3 . . . . . . . . . c19133_2m6h 1 . 4 . 438 . 1 1 7 TRP H H 8.156 -0.482 -2.558 . . . 1.0 . . . . . . . . . . . . A . 7 TRP H . . . . . . . . . c19133_2m6h 1 . 4 . 439 . 1 1 7 TRP HA H 7.836 2.248 -1.500 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HA . . . . . . . . . c19133_2m6h 1 . 4 . 440 . 1 1 7 TRP HB2 H 10.143 0.746 -1.750 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB2 . . . . . . . . . c19133_2m6h 1 . 4 . 441 . 1 1 7 TRP HB3 H 10.187 1.780 -3.175 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB3 . . . . . . . . . c19133_2m6h 1 . 4 . 442 . 1 1 7 TRP HD1 H 11.627 3.828 -2.698 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HD1 . . . . . . . . . c19133_2m6h 1 . 4 . 443 . 1 1 7 TRP HE1 H 11.996 5.412 -0.703 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE1 . . . . . . . . . c19133_2m6h 1 . 4 . 444 . 1 1 7 TRP HE3 H 8.529 1.590 0.698 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE3 . . . . . . . . . c19133_2m6h 1 . 4 . 445 . 1 1 7 TRP HH2 H 9.595 4.572 3.562 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HH2 . . . . . . . . . c19133_2m6h 1 . 4 . 446 . 1 1 7 TRP HZ2 H 11.093 5.677 1.959 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ2 . . . . . . . . . c19133_2m6h 1 . 4 . 447 . 1 1 7 TRP HZ3 H 8.339 2.571 2.946 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ3 . . . . . . . . . c19133_2m6h 1 . 4 . 448 . 1 1 7 TRP N N 7.782 0.254 -2.029 . . . 1.0 . . . . . . . . . . . . A . 7 TRP N . . . . . . . . . c19133_2m6h 1 . 4 . 449 . 1 1 7 TRP NE1 N 11.399 4.634 -0.677 . . . 1.0 . . . . . . . . . . . . A . 7 TRP NE1 . . . . . . . . . c19133_2m6h 1 . 4 . 450 . 1 1 7 TRP O O 8.307 3.114 -4.140 . . . 1.0 . . . . . . . . . . . . A . 7 TRP O . . . . . . . . . c19133_2m6h 1 . 4 . 451 . 1 1 8 CYS C C 5.604 3.171 -5.450 . . . 1.0 . . . . . . . . . . . . A . 8 CYS C . . . . . . . . . c19133_2m6h 1 . 4 . 452 . 1 1 8 CYS CA C 6.287 1.808 -5.516 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CA . . . . . . . . . c19133_2m6h 1 . 4 . 453 . 1 1 8 CYS CB C 5.297 0.753 -6.013 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CB . . . . . . . . . c19133_2m6h 1 . 4 . 454 . 1 1 8 CYS H H 6.448 0.644 -3.756 . . . 1.0 . . . . . . . . . . . . A . 8 CYS H . . . . . . . . . c19133_2m6h 1 . 4 . 455 . 1 1 8 CYS HA H 7.114 1.867 -6.208 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HA . . . . . . . . . c19133_2m6h 1 . 4 . 456 . 1 1 8 CYS HB2 H 5.081 0.936 -7.056 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB2 . . . . . . . . . c19133_2m6h 1 . 4 . 457 . 1 1 8 CYS HB3 H 5.742 -0.225 -5.910 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB3 . . . . . . . . . c19133_2m6h 1 . 4 . 458 . 1 1 8 CYS N N 6.819 1.429 -4.213 . . . 1.0 . . . . . . . . . . . . A . 8 CYS N . . . . . . . . . c19133_2m6h 1 . 4 . 459 . 1 1 8 CYS O O 4.989 3.519 -4.442 . . . 1.0 . . . . . . . . . . . . A . 8 CYS O . . . . . . . . . c19133_2m6h 1 . 4 . 460 . 1 1 8 CYS SG S 3.712 0.740 -5.115 . . . 1.0 . . . . . . . . . . . . A . 8 CYS SG . . . . . . . . . c19133_2m6h 1 . 5 . 461 . 1 1 1 GLY C C 1.914 -1.780 -1.761 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c19133_2m6h 1 . 5 . 462 . 1 1 1 GLY CA C 2.332 -0.791 -0.691 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c19133_2m6h 1 . 5 . 463 . 1 1 1 GLY H1 H 0.539 -1.223 0.349 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c19133_2m6h 1 . 5 . 464 . 1 1 1 GLY HA2 H 2.440 0.185 -1.140 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c19133_2m6h 1 . 5 . 465 . 1 1 1 GLY HA3 H 3.286 -1.098 -0.287 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c19133_2m6h 1 . 5 . 466 . 1 1 1 GLY N N 1.371 -0.705 0.392 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c19133_2m6h 1 . 5 . 467 . 1 1 1 GLY O O 0.785 -2.273 -1.755 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c19133_2m6h 1 . 5 . 468 . 1 1 2 CYS C C 3.386 -4.270 -3.626 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . c19133_2m6h 1 . 5 . 469 . 1 1 2 CYS CA C 2.544 -3.006 -3.768 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . c19133_2m6h 1 . 5 . 470 . 1 1 2 CYS CB C 2.817 -2.347 -5.121 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . c19133_2m6h 1 . 5 . 471 . 1 1 2 CYS H H 3.707 -1.646 -2.637 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . c19133_2m6h 1 . 5 . 472 . 1 1 2 CYS HA H 1.500 -3.275 -3.712 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . c19133_2m6h 1 . 5 . 473 . 1 1 2 CYS HB2 H 3.884 -2.282 -5.273 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . c19133_2m6h 1 . 5 . 474 . 1 1 2 CYS HB3 H 2.384 -2.954 -5.902 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . c19133_2m6h 1 . 5 . 475 . 1 1 2 CYS N N 2.824 -2.071 -2.684 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . c19133_2m6h 1 . 5 . 476 . 1 1 2 CYS O O 4.459 -4.268 -3.021 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . c19133_2m6h 1 . 5 . 477 . 1 1 2 CYS SG S 2.133 -0.666 -5.281 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . c19133_2m6h 1 . 5 . 478 . 1 1 3 PRO C C 4.848 -6.682 -4.997 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . c19133_2m6h 1 . 5 . 479 . 1 1 3 PRO CA C 3.581 -6.670 -4.149 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . c19133_2m6h 1 . 5 . 480 . 1 1 3 PRO CB C 2.548 -7.646 -4.718 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . c19133_2m6h 1 . 5 . 481 . 1 1 3 PRO CD C 1.618 -5.454 -4.934 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . c19133_2m6h 1 . 5 . 482 . 1 1 3 PRO CG C 1.673 -6.808 -5.586 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . c19133_2m6h 1 . 5 . 483 . 1 1 3 PRO HA H 3.825 -6.952 -3.136 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . c19133_2m6h 1 . 5 . 484 . 1 1 3 PRO HB2 H 3.051 -8.415 -5.288 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . c19133_2m6h 1 . 5 . 485 . 1 1 3 PRO HB3 H 1.989 -8.095 -3.911 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . c19133_2m6h 1 . 5 . 486 . 1 1 3 PRO HD2 H 1.558 -4.678 -5.682 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . c19133_2m6h 1 . 5 . 487 . 1 1 3 PRO HD3 H 0.778 -5.396 -4.258 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . c19133_2m6h 1 . 5 . 488 . 1 1 3 PRO HG2 H 2.102 -6.731 -6.574 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . c19133_2m6h 1 . 5 . 489 . 1 1 3 PRO HG3 H 0.685 -7.240 -5.637 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . c19133_2m6h 1 . 5 . 490 . 1 1 3 PRO N N 2.890 -5.378 -4.197 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . c19133_2m6h 1 . 5 . 491 . 1 1 3 PRO O O 4.752 -6.659 -6.224 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . c19133_2m6h 1 . 5 . 492 . 1 1 4 DTR C C 7.857 -5.323 -4.979 . . . 1.0 . . . . . . . . . . . . A . 4 DTR C . . . . . . . . . c19133_2m6h 1 . 5 . 493 . 1 1 4 DTR CA C 7.266 -6.733 -5.040 . . . 1.0 . . . . . . . . . . . . A . 4 DTR CA . . . . . . . . . c19133_2m6h 1 . 5 . 494 . 1 1 4 DTR CB C 8.200 -7.798 -4.463 . . . 1.0 . . . . . . . . . . . . A . 4 DTR CB . . . . . . . . . c19133_2m6h 1 . 5 . 495 . 1 1 4 DTR CD1 C 6.796 -9.737 -5.427 . . . 1.0 . . . . . . . . . . . . A . 4 DTR CD1 . . . . . . . . . c19133_2m6h 1 . 5 . 496 . 1 1 4 DTR CD2 C 7.902 -10.288 -3.588 . . . 1.0 . . . . . . . . . . . . A . 4 DTR CD2 . . . . . . . . . c19133_2m6h 1 . 5 . 497 . 1 1 4 DTR CE2 C 7.199 -11.403 -3.996 . . . 1.0 . . . . . . . . . . . . A . 4 DTR CE2 . . . . . . . . . c19133_2m6h 1 . 5 . 498 . 1 1 4 DTR CE3 C 8.712 -10.312 -2.439 . . . 1.0 . . . . . . . . . . . . A . 4 DTR CE3 . . . . . . . . . c19133_2m6h 1 . 5 . 499 . 1 1 4 DTR CG C 7.634 -9.218 -4.519 . . . 1.0 . . . . . . . . . . . . A . 4 DTR CG . . . . . . . . . c19133_2m6h 1 . 5 . 500 . 1 1 4 DTR CH2 C 8.034 -12.672 -2.164 . . . 1.0 . . . . . . . . . . . . A . 4 DTR CH2 . . . . . . . . . c19133_2m6h 1 . 5 . 501 . 1 1 4 DTR CZ2 C 7.234 -12.624 -3.312 . . . 1.0 . . . . . . . . . . . . A . 4 DTR CZ2 . . . . . . . . . c19133_2m6h 1 . 5 . 502 . 1 1 4 DTR CZ3 C 8.736 -11.540 -1.766 . . . 1.0 . . . . . . . . . . . . A . 4 DTR CZ3 . . . . . . . . . c19133_2m6h 1 . 5 . 503 . 1 1 4 DTR H H 6.065 -6.737 -3.338 . . . 1.0 . . . . . . . . . . . . A . 4 DTR H . . . . . . . . . c19133_2m6h 1 . 5 . 504 . 1 1 4 DTR HA H 7.069 -7.010 -6.076 . . . 1.0 . . . . . . . . . . . . A . 4 DTR HA . . . . . . . . . c19133_2m6h 1 . 5 . 505 . 1 1 4 DTR HB2 H 8.424 -7.548 -3.426 . . . 1.0 . . . . . . . . . . . . A . 4 DTR HB2 . . . . . . . . . c19133_2m6h 1 . 5 . 506 . 1 1 4 DTR HB3 H 9.144 -7.772 -5.008 . . . 1.0 . . . . . . . . . . . . A . 4 DTR HB3 . . . . . . . . . c19133_2m6h 1 . 5 . 507 . 1 1 4 DTR HD1 H 6.394 -9.186 -6.277 . . . 1.0 . . . . . . . . . . . . A . 4 DTR HD1 . . . . . . . . . c19133_2m6h 1 . 5 . 508 . 1 1 4 DTR HE1 H 5.850 -11.709 -5.728 . . . 1.0 . . . . . . . . . . . . A . 4 DTR HE1 . . . . . . . . . c19133_2m6h 1 . 5 . 509 . 1 1 4 DTR HE3 H 9.277 -9.446 -2.096 . . . 1.0 . . . . . . . . . . . . A . 4 DTR HE3 . . . . . . . . . c19133_2m6h 1 . 5 . 510 . 1 1 4 DTR HH2 H 8.106 -13.592 -1.585 . . . 1.0 . . . . . . . . . . . . A . 4 DTR HH2 . . . . . . . . . c19133_2m6h 1 . 5 . 511 . 1 1 4 DTR HZ2 H 6.668 -13.491 -3.654 . . . 1.0 . . . . . . . . . . . . A . 4 DTR HZ2 . . . . . . . . . c19133_2m6h 1 . 5 . 512 . 1 1 4 DTR HZ3 H 9.349 -11.614 -0.868 . . . 1.0 . . . . . . . . . . . . A . 4 DTR HZ3 . . . . . . . . . c19133_2m6h 1 . 5 . 513 . 1 1 4 DTR N N 5.995 -6.718 -4.335 . . . 1.0 . . . . . . . . . . . . A . 4 DTR N . . . . . . . . . c19133_2m6h 1 . 5 . 514 . 1 1 4 DTR NE1 N 6.504 -11.057 -5.149 . . . 1.0 . . . . . . . . . . . . A . 4 DTR NE1 . . . . . . . . . c19133_2m6h 1 . 5 . 515 . 1 1 4 DTR O O 9.069 -5.119 -5.056 . . . 1.0 . . . . . . . . . . . . A . 4 DTR O . . . . . . . . . c19133_2m6h 1 . 5 . 516 . 1 1 5 ASP C C 6.737 -2.263 -3.556 . . . 1.0 . . . . . . . . . . . . A . 5 ASP C . . . . . . . . . c19133_2m6h 1 . 5 . 517 . 1 1 5 ASP CA C 7.372 -2.948 -4.762 . . . 1.0 . . . . . . . . . . . . A . 5 ASP CA . . . . . . . . . c19133_2m6h 1 . 5 . 518 . 1 1 5 ASP CB C 6.984 -2.212 -6.045 . . . 1.0 . . . . . . . . . . . . A . 5 ASP CB . . . . . . . . . c19133_2m6h 1 . 5 . 519 . 1 1 5 ASP CG C 7.629 -0.844 -6.147 . . . 1.0 . . . . . . . . . . . . A . 5 ASP CG . . . . . . . . . c19133_2m6h 1 . 5 . 520 . 1 1 5 ASP H H 6.015 -4.572 -4.782 . . . 1.0 . . . . . . . . . . . . A . 5 ASP H . . . . . . . . . c19133_2m6h 1 . 5 . 521 . 1 1 5 ASP HA H 8.446 -2.919 -4.653 . . . 1.0 . . . . . . . . . . . . A . 5 ASP HA . . . . . . . . . c19133_2m6h 1 . 5 . 522 . 1 1 5 ASP HB2 H 7.294 -2.799 -6.898 . . . 1.0 . . . . . . . . . . . . A . 5 ASP HB2 . . . . . . . . . c19133_2m6h 1 . 5 . 523 . 1 1 5 ASP HB3 H 5.911 -2.087 -6.070 . . . 1.0 . . . . . . . . . . . . A . 5 ASP HB3 . . . . . . . . . c19133_2m6h 1 . 5 . 524 . 1 1 5 ASP N N 6.967 -4.347 -4.838 . . . 1.0 . . . . . . . . . . . . A . 5 ASP N . . . . . . . . . c19133_2m6h 1 . 5 . 525 . 1 1 5 ASP O O 5.752 -1.534 -3.673 . . . 1.0 . . . . . . . . . . . . A . 5 ASP O . . . . . . . . . c19133_2m6h 1 . 5 . 526 . 1 1 5 ASP OD1 O 8.181 -0.371 -5.131 . . . 1.0 . . . . . . . . . . . . A . 5 ASP OD1 . . . . . . . . . c19133_2m6h 1 . 5 . 527 . 1 1 5 ASP OD2 O 7.583 -0.246 -7.242 . . . 1.0 . . . . . . . . . . . . A . 5 ASP OD2 . . . . . . . . . c19133_2m6h 1 . 5 . 528 . 1 1 6 PRO C C 7.064 -0.414 -1.044 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . c19133_2m6h 1 . 5 . 529 . 1 1 6 PRO CA C 6.820 -1.917 -1.118 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . c19133_2m6h 1 . 5 . 530 . 1 1 6 PRO CB C 7.631 -2.644 -0.042 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . c19133_2m6h 1 . 5 . 531 . 1 1 6 PRO CD C 8.490 -3.360 -2.155 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . c19133_2m6h 1 . 5 . 532 . 1 1 6 PRO CG C 8.881 -3.068 -0.733 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . c19133_2m6h 1 . 5 . 533 . 1 1 6 PRO HA H 5.768 -2.117 -0.974 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . c19133_2m6h 1 . 5 . 534 . 1 1 6 PRO HB2 H 7.839 -1.967 0.774 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB2 . . . . . . . . . c19133_2m6h 1 . 5 . 535 . 1 1 6 PRO HB3 H 7.073 -3.494 0.321 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . c19133_2m6h 1 . 5 . 536 . 1 1 6 PRO HD2 H 9.290 -3.092 -2.829 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD2 . . . . . . . . . c19133_2m6h 1 . 5 . 537 . 1 1 6 PRO HD3 H 8.232 -4.402 -2.269 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . c19133_2m6h 1 . 5 . 538 . 1 1 6 PRO HG2 H 9.607 -2.270 -0.700 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG2 . . . . . . . . . c19133_2m6h 1 . 5 . 539 . 1 1 6 PRO HG3 H 9.276 -3.957 -0.263 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . c19133_2m6h 1 . 5 . 540 . 1 1 6 PRO N N 7.313 -2.501 -2.368 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . c19133_2m6h 1 . 5 . 541 . 1 1 6 PRO O O 6.576 0.260 -0.137 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . c19133_2m6h 1 . 5 . 542 . 1 1 7 TRP C C 7.433 2.202 -3.225 . . . 1.0 . . . . . . . . . . . . A . 7 TRP C . . . . . . . . . c19133_2m6h 1 . 5 . 543 . 1 1 7 TRP CA C 8.130 1.530 -2.047 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CA . . . . . . . . . c19133_2m6h 1 . 5 . 544 . 1 1 7 TRP CB C 9.641 1.743 -2.144 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CB . . . . . . . . . c19133_2m6h 1 . 5 . 545 . 1 1 7 TRP CD1 C 10.693 4.079 -2.084 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD1 . . . . . . . . . c19133_2m6h 1 . 5 . 546 . 1 1 7 TRP CD2 C 10.029 3.317 -0.085 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD2 . . . . . . . . . c19133_2m6h 1 . 5 . 547 . 1 1 7 TRP CE2 C 10.584 4.600 0.085 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE2 . . . . . . . . . c19133_2m6h 1 . 5 . 548 . 1 1 7 TRP CE3 C 9.541 2.640 1.036 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE3 . . . . . . . . . c19133_2m6h 1 . 5 . 549 . 1 1 7 TRP CG C 10.107 3.003 -1.480 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CG . . . . . . . . . c19133_2m6h 1 . 5 . 550 . 1 1 7 TRP CH2 C 10.181 4.530 2.412 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CH2 . . . . . . . . . c19133_2m6h 1 . 5 . 551 . 1 1 7 TRP CZ2 C 10.666 5.216 1.331 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ2 . . . . . . . . . c19133_2m6h 1 . 5 . 552 . 1 1 7 TRP CZ3 C 9.623 3.252 2.272 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ3 . . . . . . . . . c19133_2m6h 1 . 5 . 553 . 1 1 7 TRP H H 8.182 -0.484 -2.700 . . . 1.0 . . . . . . . . . . . . A . 7 TRP H . . . . . . . . . c19133_2m6h 1 . 5 . 554 . 1 1 7 TRP HA H 7.771 1.974 -1.130 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HA . . . . . . . . . c19133_2m6h 1 . 5 . 555 . 1 1 7 TRP HB2 H 10.146 0.912 -1.674 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB2 . . . . . . . . . c19133_2m6h 1 . 5 . 556 . 1 1 7 TRP HB3 H 9.925 1.789 -3.185 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB3 . . . . . . . . . c19133_2m6h 1 . 5 . 557 . 1 1 7 TRP HD1 H 10.894 4.148 -3.142 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HD1 . . . . . . . . . c19133_2m6h 1 . 5 . 558 . 1 1 7 TRP HE1 H 11.405 5.908 -1.335 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE1 . . . . . . . . . c19133_2m6h 1 . 5 . 559 . 1 1 7 TRP HE3 H 9.107 1.654 0.948 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE3 . . . . . . . . . c19133_2m6h 1 . 5 . 560 . 1 1 7 TRP HH2 H 10.224 4.970 3.396 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HH2 . . . . . . . . . c19133_2m6h 1 . 5 . 561 . 1 1 7 TRP HZ2 H 11.092 6.201 1.455 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ2 . . . . . . . . . c19133_2m6h 1 . 5 . 562 . 1 1 7 TRP HZ3 H 9.251 2.744 3.150 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ3 . . . . . . . . . c19133_2m6h 1 . 5 . 563 . 1 1 7 TRP N N 7.821 0.105 -2.004 . . . 1.0 . . . . . . . . . . . . A . 7 TRP N . . . . . . . . . c19133_2m6h 1 . 5 . 564 . 1 1 7 TRP NE1 N 10.983 5.043 -1.148 . . . 1.0 . . . . . . . . . . . . A . 7 TRP NE1 . . . . . . . . . c19133_2m6h 1 . 5 . 565 . 1 1 7 TRP O O 7.777 3.322 -3.606 . . . 1.0 . . . . . . . . . . . . A . 7 TRP O . . . . . . . . . c19133_2m6h 1 . 5 . 566 . 1 1 8 CYS C C 4.918 3.287 -4.534 . . . 1.0 . . . . . . . . . . . . A . 8 CYS C . . . . . . . . . c19133_2m6h 1 . 5 . 567 . 1 1 8 CYS CA C 5.707 2.043 -4.934 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CA . . . . . . . . . c19133_2m6h 1 . 5 . 568 . 1 1 8 CYS CB C 4.757 0.980 -5.488 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CB . . . . . . . . . c19133_2m6h 1 . 5 . 569 . 1 1 8 CYS H H 6.224 0.625 -3.450 . . . 1.0 . . . . . . . . . . . . A . 8 CYS H . . . . . . . . . c19133_2m6h 1 . 5 . 570 . 1 1 8 CYS HA H 6.417 2.314 -5.700 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HA . . . . . . . . . c19133_2m6h 1 . 5 . 571 . 1 1 8 CYS HB2 H 4.378 1.310 -6.445 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB2 . . . . . . . . . c19133_2m6h 1 . 5 . 572 . 1 1 8 CYS HB3 H 5.301 0.056 -5.621 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB3 . . . . . . . . . c19133_2m6h 1 . 5 . 573 . 1 1 8 CYS N N 6.452 1.513 -3.799 . . . 1.0 . . . . . . . . . . . . A . 8 CYS N . . . . . . . . . c19133_2m6h 1 . 5 . 574 . 1 1 8 CYS O O 4.678 4.171 -5.355 . . . 1.0 . . . . . . . . . . . . A . 8 CYS O . . . . . . . . . c19133_2m6h 1 . 5 . 575 . 1 1 8 CYS SG S 3.325 0.631 -4.418 . . . 1.0 . . . . . . . . . . . . A . 8 CYS SG . . . . . . . . . c19133_2m6h 1 . 6 . 576 . 1 1 1 GLY C C 1.688 -1.351 -2.038 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c19133_2m6h 1 . 6 . 577 . 1 1 1 GLY CA C 2.273 -0.390 -1.021 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c19133_2m6h 1 . 6 . 578 . 1 1 1 GLY H1 H 0.613 0.266 0.117 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c19133_2m6h 1 . 6 . 579 . 1 1 1 GLY HA2 H 2.384 0.580 -1.481 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c19133_2m6h 1 . 6 . 580 . 1 1 1 GLY HA3 H 3.247 -0.750 -0.723 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c19133_2m6h 1 . 6 . 581 . 1 1 1 GLY N N 1.440 -0.258 0.160 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c19133_2m6h 1 . 6 . 582 . 1 1 1 GLY O O 0.497 -1.658 -1.999 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c19133_2m6h 1 . 6 . 583 . 1 1 2 CYS C C 2.724 -4.128 -3.788 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . c19133_2m6h 1 . 6 . 584 . 1 1 2 CYS CA C 2.088 -2.755 -3.986 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . c19133_2m6h 1 . 6 . 585 . 1 1 2 CYS CB C 2.441 -2.212 -5.372 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . c19133_2m6h 1 . 6 . 586 . 1 1 2 CYS H H 3.467 -1.543 -2.932 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . c19133_2m6h 1 . 6 . 587 . 1 1 2 CYS HA H 1.016 -2.853 -3.909 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . c19133_2m6h 1 . 6 . 588 . 1 1 2 CYS HB2 H 3.503 -2.323 -5.535 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . c19133_2m6h 1 . 6 . 589 . 1 1 2 CYS HB3 H 1.907 -2.781 -6.119 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . c19133_2m6h 1 . 6 . 590 . 1 1 2 CYS N N 2.528 -1.825 -2.952 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . c19133_2m6h 1 . 6 . 591 . 1 1 2 CYS O O 3.792 -4.266 -3.193 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . c19133_2m6h 1 . 6 . 592 . 1 1 2 CYS SG S 2.026 -0.454 -5.610 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . c19133_2m6h 1 . 6 . 593 . 1 1 3 PRO C C 3.768 -6.802 -5.050 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . c19133_2m6h 1 . 6 . 594 . 1 1 3 PRO CA C 2.531 -6.551 -4.194 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . c19133_2m6h 1 . 6 . 595 . 1 1 3 PRO CB C 1.349 -7.378 -4.706 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . c19133_2m6h 1 . 6 . 596 . 1 1 3 PRO CD C 0.772 -5.080 -5.023 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . c19133_2m6h 1 . 6 . 597 . 1 1 3 PRO CG C 0.604 -6.455 -5.608 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . c19133_2m6h 1 . 6 . 598 . 1 1 3 PRO HA H 2.743 -6.819 -3.169 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . c19133_2m6h 1 . 6 . 599 . 1 1 3 PRO HB2 H 1.717 -8.243 -5.241 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . c19133_2m6h 1 . 6 . 600 . 1 1 3 PRO HB3 H 0.739 -7.694 -3.874 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . c19133_2m6h 1 . 6 . 601 . 1 1 3 PRO HD2 H 0.823 -4.340 -5.808 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . c19133_2m6h 1 . 6 . 602 . 1 1 3 PRO HD3 H -0.038 -4.857 -4.345 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . c19133_2m6h 1 . 6 . 603 . 1 1 3 PRO HG2 H 1.024 -6.494 -6.601 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . c19133_2m6h 1 . 6 . 604 . 1 1 3 PRO HG3 H -0.440 -6.728 -5.630 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . c19133_2m6h 1 . 6 . 605 . 1 1 3 PRO N N 2.052 -5.170 -4.300 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . c19133_2m6h 1 . 6 . 606 . 1 1 3 PRO O O 3.658 -6.823 -6.275 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . c19133_2m6h 1 . 6 . 607 . 1 1 4 DTR C C 6.953 -5.935 -5.120 . . . 1.0 . . . . . . . . . . . . A . 4 DTR C . . . . . . . . . c19133_2m6h 1 . 6 . 608 . 1 1 4 DTR CA C 6.147 -7.235 -5.108 . . . 1.0 . . . . . . . . . . . . A . 4 DTR CA . . . . . . . . . c19133_2m6h 1 . 6 . 609 . 1 1 4 DTR CB C 6.911 -8.406 -4.486 . . . 1.0 . . . . . . . . . . . . A . 4 DTR CB . . . . . . . . . c19133_2m6h 1 . 6 . 610 . 1 1 4 DTR CD1 C 7.082 -7.952 -1.951 . . . 1.0 . . . . . . . . . . . . A . 4 DTR CD1 . . . . . . . . . c19133_2m6h 1 . 6 . 611 . 1 1 4 DTR CD2 C 9.024 -7.784 -3.003 . . . 1.0 . . . . . . . . . . . . A . 4 DTR CD2 . . . . . . . . . c19133_2m6h 1 . 6 . 612 . 1 1 4 DTR CE2 C 9.254 -7.520 -1.668 . . . 1.0 . . . . . . . . . . . . A . 4 DTR CE2 . . . . . . . . . c19133_2m6h 1 . 6 . 613 . 1 1 4 DTR CE3 C 10.068 -7.756 -3.945 . . . 1.0 . . . . . . . . . . . . A . 4 DTR CE3 . . . . . . . . . c19133_2m6h 1 . 6 . 614 . 1 1 4 DTR CG C 7.619 -8.061 -3.174 . . . 1.0 . . . . . . . . . . . . A . 4 DTR CG . . . . . . . . . c19133_2m6h 1 . 6 . 615 . 1 1 4 DTR CH2 C 11.573 -7.176 -2.074 . . . 1.0 . . . . . . . . . . . . A . 4 DTR CH2 . . . . . . . . . c19133_2m6h 1 . 6 . 616 . 1 1 4 DTR CZ2 C 10.518 -7.210 -1.154 . . . 1.0 . . . . . . . . . . . . A . 4 DTR CZ2 . . . . . . . . . c19133_2m6h 1 . 6 . 617 . 1 1 4 DTR CZ3 C 11.326 -7.444 -3.415 . . . 1.0 . . . . . . . . . . . . A . 4 DTR CZ3 . . . . . . . . . c19133_2m6h 1 . 6 . 618 . 1 1 4 DTR H H 4.986 -6.969 -3.399 . . . 1.0 . . . . . . . . . . . . A . 4 DTR H . . . . . . . . . c19133_2m6h 1 . 6 . 619 . 1 1 4 DTR HA H 5.894 -7.527 -6.127 . . . 1.0 . . . . . . . . . . . . A . 4 DTR HA . . . . . . . . . c19133_2m6h 1 . 6 . 620 . 1 1 4 DTR HB2 H 7.650 -8.765 -5.202 . . . 1.0 . . . . . . . . . . . . A . 4 DTR HB2 . . . . . . . . . c19133_2m6h 1 . 6 . 621 . 1 1 4 DTR HB3 H 6.216 -9.226 -4.308 . . . 1.0 . . . . . . . . . . . . A . 4 DTR HB3 . . . . . . . . . c19133_2m6h 1 . 6 . 622 . 1 1 4 DTR HD1 H 6.025 -8.102 -1.730 . . . 1.0 . . . . . . . . . . . . A . 4 DTR HD1 . . . . . . . . . c19133_2m6h 1 . 6 . 623 . 1 1 4 DTR HE1 H 7.863 -7.478 0.058 . . . 1.0 . . . . . . . . . . . . A . 4 DTR HE1 . . . . . . . . . c19133_2m6h 1 . 6 . 624 . 1 1 4 DTR HE3 H 9.913 -7.961 -5.004 . . . 1.0 . . . . . . . . . . . . A . 4 DTR HE3 . . . . . . . . . c19133_2m6h 1 . 6 . 625 . 1 1 4 DTR HH2 H 12.584 -6.941 -1.740 . . . 1.0 . . . . . . . . . . . . A . 4 DTR HH2 . . . . . . . . . c19133_2m6h 1 . 6 . 626 . 1 1 4 DTR HZ2 H 10.673 -7.005 -0.094 . . . 1.0 . . . . . . . . . . . . A . 4 DTR HZ2 . . . . . . . . . c19133_2m6h 1 . 6 . 627 . 1 1 4 DTR HZ3 H 12.171 -7.410 -4.103 . . . 1.0 . . . . . . . . . . . . A . 4 DTR HZ3 . . . . . . . . . c19133_2m6h 1 . 6 . 628 . 1 1 4 DTR N N 4.905 -6.987 -4.395 . . . 1.0 . . . . . . . . . . . . A . 4 DTR N . . . . . . . . . c19133_2m6h 1 . 6 . 629 . 1 1 4 DTR NE1 N 8.035 -7.626 -1.008 . . . 1.0 . . . . . . . . . . . . A . 4 DTR NE1 . . . . . . . . . c19133_2m6h 1 . 6 . 630 . 1 1 4 DTR O O 8.181 -5.929 -5.215 . . . 1.0 . . . . . . . . . . . . A . 4 DTR O . . . . . . . . . c19133_2m6h 1 . 6 . 631 . 1 1 5 ASP C C 6.349 -2.672 -3.842 . . . 1.0 . . . . . . . . . . . . A . 5 ASP C . . . . . . . . . c19133_2m6h 1 . 6 . 632 . 1 1 5 ASP CA C 6.851 -3.505 -5.017 . . . 1.0 . . . . . . . . . . . . A . 5 ASP CA . . . . . . . . . c19133_2m6h 1 . 6 . 633 . 1 1 5 ASP CB C 6.564 -2.780 -6.333 . . . 1.0 . . . . . . . . . . . . A . 5 ASP CB . . . . . . . . . c19133_2m6h 1 . 6 . 634 . 1 1 5 ASP CG C 7.531 -1.640 -6.588 . . . 1.0 . . . . . . . . . . . . A . 5 ASP CG . . . . . . . . . c19133_2m6h 1 . 6 . 635 . 1 1 5 ASP H H 5.255 -4.895 -4.948 . . . 1.0 . . . . . . . . . . . . A . 5 ASP H . . . . . . . . . c19133_2m6h 1 . 6 . 636 . 1 1 5 ASP HA H 7.917 -3.641 -4.917 . . . 1.0 . . . . . . . . . . . . A . 5 ASP HA . . . . . . . . . c19133_2m6h 1 . 6 . 637 . 1 1 5 ASP HB2 H 6.642 -3.483 -7.149 . . . 1.0 . . . . . . . . . . . . A . 5 ASP HB2 . . . . . . . . . c19133_2m6h 1 . 6 . 638 . 1 1 5 ASP HB3 H 5.562 -2.378 -6.303 . . . 1.0 . . . . . . . . . . . . A . 5 ASP HB3 . . . . . . . . . c19133_2m6h 1 . 6 . 639 . 1 1 5 ASP N N 6.230 -4.825 -5.021 . . . 1.0 . . . . . . . . . . . . A . 5 ASP N . . . . . . . . . c19133_2m6h 1 . 6 . 640 . 1 1 5 ASP O O 5.489 -1.804 -3.988 . . . 1.0 . . . . . . . . . . . . A . 5 ASP O . . . . . . . . . c19133_2m6h 1 . 6 . 641 . 1 1 5 ASP OD1 O 8.649 -1.675 -6.033 . . . 1.0 . . . . . . . . . . . . A . 5 ASP OD1 . . . . . . . . . c19133_2m6h 1 . 6 . 642 . 1 1 5 ASP OD2 O 7.170 -0.714 -7.343 . . . 1.0 . . . . . . . . . . . . A . 5 ASP OD2 . . . . . . . . . c19133_2m6h 1 . 6 . 643 . 1 1 6 PRO C C 6.999 -0.780 -1.427 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . c19133_2m6h 1 . 6 . 644 . 1 1 6 PRO CA C 6.521 -2.228 -1.425 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . c19133_2m6h 1 . 6 . 645 . 1 1 6 PRO CB C 7.225 -3.021 -0.320 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . c19133_2m6h 1 . 6 . 646 . 1 1 6 PRO CD C 7.930 -3.963 -2.401 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . c19133_2m6h 1 . 6 . 647 . 1 1 6 PRO CG C 8.383 -3.669 -0.998 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . c19133_2m6h 1 . 6 . 648 . 1 1 6 PRO HA H 5.453 -2.253 -1.264 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . c19133_2m6h 1 . 6 . 649 . 1 1 6 PRO HB2 H 7.549 -2.347 0.460 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB2 . . . . . . . . . c19133_2m6h 1 . 6 . 650 . 1 1 6 PRO HB3 H 6.546 -3.755 0.089 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . c19133_2m6h 1 . 6 . 651 . 1 1 6 PRO HD2 H 8.752 -3.857 -3.094 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD2 . . . . . . . . . c19133_2m6h 1 . 6 . 652 . 1 1 6 PRO HD3 H 7.509 -4.957 -2.462 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . c19133_2m6h 1 . 6 . 653 . 1 1 6 PRO HG2 H 9.225 -2.994 -1.010 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG2 . . . . . . . . . c19133_2m6h 1 . 6 . 654 . 1 1 6 PRO HG3 H 8.641 -4.585 -0.488 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . c19133_2m6h 1 . 6 . 655 . 1 1 6 PRO N N 6.898 -2.942 -2.648 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . c19133_2m6h 1 . 6 . 656 . 1 1 6 PRO O O 6.636 0.005 -0.551 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . c19133_2m6h 1 . 6 . 657 . 1 1 7 TRP C C 7.741 1.638 -3.738 . . . 1.0 . . . . . . . . . . . . A . 7 TRP C . . . . . . . . . c19133_2m6h 1 . 6 . 658 . 1 1 7 TRP CA C 8.341 0.922 -2.533 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CA . . . . . . . . . c19133_2m6h 1 . 6 . 659 . 1 1 7 TRP CB C 9.866 0.890 -2.650 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CB . . . . . . . . . c19133_2m6h 1 . 6 . 660 . 1 1 7 TRP CD1 C 11.458 -0.159 -0.937 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD1 . . . . . . . . . c19133_2m6h 1 . 6 . 661 . 1 1 7 TRP CD2 C 10.416 1.688 -0.216 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD2 . . . . . . . . . c19133_2m6h 1 . 6 . 662 . 1 1 7 TRP CE2 C 11.255 1.214 0.812 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE2 . . . . . . . . . c19133_2m6h 1 . 6 . 663 . 1 1 7 TRP CE3 C 9.662 2.842 0.009 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE3 . . . . . . . . . c19133_2m6h 1 . 6 . 664 . 1 1 7 TRP CG C 10.561 0.795 -1.326 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CG . . . . . . . . . c19133_2m6h 1 . 6 . 665 . 1 1 7 TRP CH2 C 10.606 2.983 2.237 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CH2 . . . . . . . . . c19133_2m6h 1 . 6 . 666 . 1 1 7 TRP CZ2 C 11.357 1.855 2.044 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ2 . . . . . . . . . c19133_2m6h 1 . 6 . 667 . 1 1 7 TRP CZ3 C 9.763 3.477 1.232 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ3 . . . . . . . . . c19133_2m6h 1 . 6 . 668 . 1 1 7 TRP H H 8.067 -1.104 -3.086 . . . 1.0 . . . . . . . . . . . . A . 7 TRP H . . . . . . . . . c19133_2m6h 1 . 6 . 669 . 1 1 7 TRP HA H 8.069 1.460 -1.637 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HA . . . . . . . . . c19133_2m6h 1 . 6 . 670 . 1 1 7 TRP HB2 H 10.157 0.035 -3.241 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB2 . . . . . . . . . c19133_2m6h 1 . 6 . 671 . 1 1 7 TRP HB3 H 10.201 1.793 -3.140 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB3 . . . . . . . . . c19133_2m6h 1 . 6 . 672 . 1 1 7 TRP HD1 H 11.778 -0.982 -1.558 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HD1 . . . . . . . . . c19133_2m6h 1 . 6 . 673 . 1 1 7 TRP HE1 H 12.522 -0.457 0.849 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE1 . . . . . . . . . c19133_2m6h 1 . 6 . 674 . 1 1 7 TRP HE3 H 9.006 3.238 -0.753 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE3 . . . . . . . . . c19133_2m6h 1 . 6 . 675 . 1 1 7 TRP HH2 H 10.654 3.511 3.176 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HH2 . . . . . . . . . c19133_2m6h 1 . 6 . 676 . 1 1 7 TRP HZ2 H 12.002 1.487 2.828 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ2 . . . . . . . . . c19133_2m6h 1 . 6 . 677 . 1 1 7 TRP HZ3 H 9.187 4.370 1.424 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ3 . . . . . . . . . c19133_2m6h 1 . 6 . 678 . 1 1 7 TRP N N 7.814 -0.433 -2.417 . . . 1.0 . . . . . . . . . . . . A . 7 TRP N . . . . . . . . . c19133_2m6h 1 . 6 . 679 . 1 1 7 TRP NE1 N 11.878 0.086 0.348 . . . 1.0 . . . . . . . . . . . . A . 7 TRP NE1 . . . . . . . . . c19133_2m6h 1 . 6 . 680 . 1 1 7 TRP O O 8.251 2.669 -4.177 . . . 1.0 . . . . . . . . . . . . A . 7 TRP O . . . . . . . . . c19133_2m6h 1 . 6 . 681 . 1 1 8 CYS C C 5.409 3.041 -5.081 . . . 1.0 . . . . . . . . . . . . A . 8 CYS C . . . . . . . . . c19133_2m6h 1 . 6 . 682 . 1 1 8 CYS CA C 5.986 1.671 -5.424 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CA . . . . . . . . . c19133_2m6h 1 . 6 . 683 . 1 1 8 CYS CB C 4.873 0.746 -5.918 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CB . . . . . . . . . c19133_2m6h 1 . 6 . 684 . 1 1 8 CYS H H 6.296 0.263 -3.875 . . . 1.0 . . . . . . . . . . . . A . 8 CYS H . . . . . . . . . c19133_2m6h 1 . 6 . 685 . 1 1 8 CYS HA H 6.719 1.789 -6.208 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HA . . . . . . . . . c19133_2m6h 1 . 6 . 686 . 1 1 8 CYS HB2 H 4.536 1.085 -6.887 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB2 . . . . . . . . . c19133_2m6h 1 . 6 . 687 . 1 1 8 CYS HB3 H 5.263 -0.257 -6.010 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB3 . . . . . . . . . c19133_2m6h 1 . 6 . 688 . 1 1 8 CYS N N 6.656 1.085 -4.269 . . . 1.0 . . . . . . . . . . . . A . 8 CYS N . . . . . . . . . c19133_2m6h 1 . 6 . 689 . 1 1 8 CYS O O 5.029 3.297 -3.939 . . . 1.0 . . . . . . . . . . . . A . 8 CYS O . . . . . . . . . c19133_2m6h 1 . 6 . 690 . 1 1 8 CYS SG S 3.420 0.679 -4.821 . . . 1.0 . . . . . . . . . . . . A . 8 CYS SG . . . . . . . . . c19133_2m6h 1 . 7 . 691 . 1 1 1 GLY C C 1.867 -1.909 -1.762 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c19133_2m6h 1 . 7 . 692 . 1 1 1 GLY CA C 2.262 -0.933 -0.671 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c19133_2m6h 1 . 7 . 693 . 1 1 1 GLY H1 H 1.362 -1.839 1.018 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c19133_2m6h 1 . 7 . 694 . 1 1 1 GLY HA2 H 2.220 0.070 -1.068 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c19133_2m6h 1 . 7 . 695 . 1 1 1 GLY HA3 H 3.275 -1.146 -0.363 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c19133_2m6h 1 . 7 . 696 . 1 1 1 GLY N N 1.392 -1.015 0.488 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c19133_2m6h 1 . 7 . 697 . 1 1 1 GLY O O 0.753 -2.433 -1.763 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c19133_2m6h 1 . 7 . 698 . 1 1 2 CYS C C 3.409 -4.311 -3.691 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . c19133_2m6h 1 . 7 . 699 . 1 1 2 CYS CA C 2.525 -3.071 -3.797 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . c19133_2m6h 1 . 7 . 700 . 1 1 2 CYS CB C 2.766 -2.372 -5.136 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . c19133_2m6h 1 . 7 . 701 . 1 1 2 CYS H H 3.653 -1.705 -2.639 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . c19133_2m6h 1 . 7 . 702 . 1 1 2 CYS HA H 1.491 -3.376 -3.741 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . c19133_2m6h 1 . 7 . 703 . 1 1 2 CYS HB2 H 3.830 -2.269 -5.293 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . c19133_2m6h 1 . 7 . 704 . 1 1 2 CYS HB3 H 2.348 -2.975 -5.929 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . c19133_2m6h 1 . 7 . 705 . 1 1 2 CYS N N 2.782 -2.154 -2.694 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . c19133_2m6h 1 . 7 . 706 . 1 1 2 CYS O O 4.485 -4.287 -3.093 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . c19133_2m6h 1 . 7 . 707 . 1 1 2 CYS SG S 2.027 -0.711 -5.252 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . c19133_2m6h 1 . 7 . 708 . 1 1 3 PRO C C 4.938 -6.641 -5.128 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . c19133_2m6h 1 . 7 . 709 . 1 1 3 PRO CA C 3.677 -6.690 -4.272 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . c19133_2m6h 1 . 7 . 710 . 1 1 3 PRO CB C 2.672 -7.685 -4.857 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . c19133_2m6h 1 . 7 . 711 . 1 1 3 PRO CD C 1.670 -5.521 -5.015 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . c19133_2m6h 1 . 7 . 712 . 1 1 3 PRO CG C 1.765 -6.857 -5.699 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . c19133_2m6h 1 . 7 . 713 . 1 1 3 PRO HA H 3.938 -6.988 -3.267 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . c19133_2m6h 1 . 7 . 714 . 1 1 3 PRO HB2 H 3.195 -8.424 -5.448 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . c19133_2m6h 1 . 7 . 715 . 1 1 3 PRO HB3 H 2.134 -8.171 -4.057 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . c19133_2m6h 1 . 7 . 716 . 1 1 3 PRO HD2 H 1.580 -4.729 -5.744 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . c19133_2m6h 1 . 7 . 717 . 1 1 3 PRO HD3 H 0.833 -5.505 -4.332 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . c19133_2m6h 1 . 7 . 718 . 1 1 3 PRO HG2 H 2.183 -6.743 -6.688 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . c19133_2m6h 1 . 7 . 719 . 1 1 3 PRO HG3 H 0.790 -7.319 -5.753 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . c19133_2m6h 1 . 7 . 720 . 1 1 3 PRO N N 2.945 -5.421 -4.285 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . c19133_2m6h 1 . 7 . 721 . 1 1 3 PRO O O 4.832 -6.593 -6.353 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . c19133_2m6h 1 . 7 . 722 . 1 1 4 DTR C C 7.901 -5.184 -5.098 . . . 1.0 . . . . . . . . . . . . A . 4 DTR C . . . . . . . . . c19133_2m6h 1 . 7 . 723 . 1 1 4 DTR CA C 7.356 -6.611 -5.188 . . . 1.0 . . . . . . . . . . . . A . 4 DTR CA . . . . . . . . . c19133_2m6h 1 . 7 . 724 . 1 1 4 DTR CB C 8.328 -7.658 -4.642 . . . 1.0 . . . . . . . . . . . . A . 4 DTR CB . . . . . . . . . c19133_2m6h 1 . 7 . 725 . 1 1 4 DTR CD1 C 7.046 -9.729 -5.494 . . . 1.0 . . . . . . . . . . . . A . 4 DTR CD1 . . . . . . . . . c19133_2m6h 1 . 7 . 726 . 1 1 4 DTR CD2 C 7.829 -9.971 -3.436 . . . 1.0 . . . . . . . . . . . . A . 4 DTR CD2 . . . . . . . . . c19133_2m6h 1 . 7 . 727 . 1 1 4 DTR CE2 C 7.171 -11.138 -3.767 . . . 1.0 . . . . . . . . . . . . A . 4 DTR CE2 . . . . . . . . . c19133_2m6h 1 . 7 . 728 . 1 1 4 DTR CE3 C 8.443 -9.807 -2.182 . . . 1.0 . . . . . . . . . . . . A . 4 DTR CE3 . . . . . . . . . c19133_2m6h 1 . 7 . 729 . 1 1 4 DTR CG C 7.742 -9.069 -4.559 . . . 1.0 . . . . . . . . . . . . A . 4 DTR CG . . . . . . . . . c19133_2m6h 1 . 7 . 730 . 1 1 4 DTR CH2 C 7.669 -12.089 -1.643 . . . 1.0 . . . . . . . . . . . . A . 4 DTR CH2 . . . . . . . . . c19133_2m6h 1 . 7 . 731 . 1 1 4 DTR CZ2 C 7.064 -12.231 -2.898 . . . 1.0 . . . . . . . . . . . . A . 4 DTR CZ2 . . . . . . . . . c19133_2m6h 1 . 7 . 732 . 1 1 4 DTR CZ3 C 8.328 -10.908 -1.325 . . . 1.0 . . . . . . . . . . . . A . 4 DTR CZ3 . . . . . . . . . c19133_2m6h 1 . 7 . 733 . 1 1 4 DTR H H 6.168 -6.693 -3.479 . . . 1.0 . . . . . . . . . . . . A . 4 DTR H . . . . . . . . . c19133_2m6h 1 . 7 . 734 . 1 1 4 DTR HA H 7.161 -6.870 -6.228 . . . 1.0 . . . . . . . . . . . . A . 4 DTR HA . . . . . . . . . c19133_2m6h 1 . 7 . 735 . 1 1 4 DTR HB2 H 8.656 -7.352 -3.649 . . . 1.0 . . . . . . . . . . . . A . 4 DTR HB2 . . . . . . . . . c19133_2m6h 1 . 7 . 736 . 1 1 4 DTR HB3 H 9.215 -7.681 -5.277 . . . 1.0 . . . . . . . . . . . . A . 4 DTR HB3 . . . . . . . . . c19133_2m6h 1 . 7 . 737 . 1 1 4 DTR HD1 H 6.800 -9.325 -6.476 . . . 1.0 . . . . . . . . . . . . A . 4 DTR HD1 . . . . . . . . . c19133_2m6h 1 . 7 . 738 . 1 1 4 DTR HE1 H 6.110 -11.725 -5.623 . . . 1.0 . . . . . . . . . . . . A . 4 DTR HE1 . . . . . . . . . c19133_2m6h 1 . 7 . 739 . 1 1 4 DTR HE3 H 8.969 -8.895 -1.897 . . . 1.0 . . . . . . . . . . . . A . 4 DTR HE3 . . . . . . . . . c19133_2m6h 1 . 7 . 740 . 1 1 4 DTR HH2 H 7.623 -12.903 -0.919 . . . 1.0 . . . . . . . . . . . . A . 4 DTR HH2 . . . . . . . . . c19133_2m6h 1 . 7 . 741 . 1 1 4 DTR HZ2 H 6.539 -13.142 -3.183 . . . 1.0 . . . . . . . . . . . . A . 4 DTR HZ2 . . . . . . . . . c19133_2m6h 1 . 7 . 742 . 1 1 4 DTR HZ3 H 8.787 -10.833 -0.339 . . . 1.0 . . . . . . . . . . . . A . 4 DTR HZ3 . . . . . . . . . c19133_2m6h 1 . 7 . 743 . 1 1 4 DTR N N 6.090 -6.654 -4.475 . . . 1.0 . . . . . . . . . . . . A . 4 DTR N . . . . . . . . . c19133_2m6h 1 . 7 . 744 . 1 1 4 DTR NE1 N 6.680 -10.986 -5.058 . . . 1.0 . . . . . . . . . . . . A . 4 DTR NE1 . . . . . . . . . c19133_2m6h 1 . 7 . 745 . 1 1 4 DTR O O 9.105 -4.939 -5.177 . . . 1.0 . . . . . . . . . . . . A . 4 DTR O . . . . . . . . . c19133_2m6h 1 . 7 . 746 . 1 1 5 ASP C C 6.694 -2.196 -3.596 . . . 1.0 . . . . . . . . . . . . A . 5 ASP C . . . . . . . . . c19133_2m6h 1 . 7 . 747 . 1 1 5 ASP CA C 7.340 -2.832 -4.823 . . . 1.0 . . . . . . . . . . . . A . 5 ASP CA . . . . . . . . . c19133_2m6h 1 . 7 . 748 . 1 1 5 ASP CB C 6.917 -2.079 -6.085 . . . 1.0 . . . . . . . . . . . . A . 5 ASP CB . . . . . . . . . c19133_2m6h 1 . 7 . 749 . 1 1 5 ASP CG C 7.848 -2.336 -7.253 . . . 1.0 . . . . . . . . . . . . A . 5 ASP CG . . . . . . . . . c19133_2m6h 1 . 7 . 750 . 1 1 5 ASP H H 6.037 -4.499 -4.872 . . . 1.0 . . . . . . . . . . . . A . 5 ASP H . . . . . . . . . c19133_2m6h 1 . 7 . 751 . 1 1 5 ASP HA H 8.413 -2.770 -4.721 . . . 1.0 . . . . . . . . . . . . A . 5 ASP HA . . . . . . . . . c19133_2m6h 1 . 7 . 752 . 1 1 5 ASP HB2 H 5.922 -2.393 -6.367 . . . 1.0 . . . . . . . . . . . . A . 5 ASP HB2 . . . . . . . . . c19133_2m6h 1 . 7 . 753 . 1 1 5 ASP HB3 H 6.910 -1.019 -5.879 . . . 1.0 . . . . . . . . . . . . A . 5 ASP HB3 . . . . . . . . . c19133_2m6h 1 . 7 . 754 . 1 1 5 ASP N N 6.981 -4.241 -4.928 . . . 1.0 . . . . . . . . . . . . A . 5 ASP N . . . . . . . . . c19133_2m6h 1 . 7 . 755 . 1 1 5 ASP O O 5.684 -1.498 -3.687 . . . 1.0 . . . . . . . . . . . . A . 5 ASP O . . . . . . . . . c19133_2m6h 1 . 7 . 756 . 1 1 5 ASP OD1 O 8.997 -2.765 -7.013 . . . 1.0 . . . . . . . . . . . . A . 5 ASP OD1 . . . . . . . . . c19133_2m6h 1 . 7 . 757 . 1 1 5 ASP OD2 O 7.429 -2.110 -8.407 . . . 1.0 . . . . . . . . . . . . A . 5 ASP OD2 . . . . . . . . . c19133_2m6h 1 . 7 . 758 . 1 1 6 PRO C C 6.983 -0.397 -1.043 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . c19133_2m6h 1 . 7 . 759 . 1 1 6 PRO CA C 6.787 -1.906 -1.151 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . c19133_2m6h 1 . 7 . 760 . 1 1 6 PRO CB C 7.632 -2.630 -0.099 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . c19133_2m6h 1 . 7 . 761 . 1 1 6 PRO CD C 8.495 -3.267 -2.236 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . c19133_2m6h 1 . 7 . 762 . 1 1 6 PRO CG C 8.889 -2.996 -0.810 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . c19133_2m6h 1 . 7 . 763 . 1 1 6 PRO HA H 5.744 -2.144 -1.003 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . c19133_2m6h 1 . 7 . 764 . 1 1 6 PRO HB2 H 7.825 -1.966 0.731 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB2 . . . . . . . . . c19133_2m6h 1 . 7 . 765 . 1 1 6 PRO HB3 H 7.106 -3.507 0.248 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . c19133_2m6h 1 . 7 . 766 . 1 1 6 PRO HD2 H 9.280 -2.957 -2.910 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD2 . . . . . . . . . c19133_2m6h 1 . 7 . 767 . 1 1 6 PRO HD3 H 8.271 -4.315 -2.372 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . c19133_2m6h 1 . 7 . 768 . 1 1 6 PRO HG2 H 9.589 -2.175 -0.764 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG2 . . . . . . . . . c19133_2m6h 1 . 7 . 769 . 1 1 6 PRO HG3 H 9.318 -3.881 -0.365 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . c19133_2m6h 1 . 7 . 770 . 1 1 6 PRO N N 7.288 -2.444 -2.419 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . c19133_2m6h 1 . 7 . 771 . 1 1 6 PRO O O 6.481 0.239 -0.117 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . c19133_2m6h 1 . 7 . 772 . 1 1 7 TRP C C 7.248 2.279 -3.167 . . . 1.0 . . . . . . . . . . . . A . 7 TRP C . . . . . . . . . c19133_2m6h 1 . 7 . 773 . 1 1 7 TRP CA C 7.975 1.604 -2.009 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CA . . . . . . . . . c19133_2m6h 1 . 7 . 774 . 1 1 7 TRP CB C 9.478 1.869 -2.109 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CB . . . . . . . . . c19133_2m6h 1 . 7 . 775 . 1 1 7 TRP CD1 C 10.158 4.331 -1.904 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD1 . . . . . . . . . c19133_2m6h 1 . 7 . 776 . 1 1 7 TRP CD2 C 10.162 3.210 0.035 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD2 . . . . . . . . . c19133_2m6h 1 . 7 . 777 . 1 1 7 TRP CE2 C 10.552 4.541 0.284 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE2 . . . . . . . . . c19133_2m6h 1 . 7 . 778 . 1 1 7 TRP CE3 C 10.091 2.317 1.107 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE3 . . . . . . . . . c19133_2m6h 1 . 7 . 779 . 1 1 7 TRP CG C 9.915 3.098 -1.371 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CG . . . . . . . . . c19133_2m6h 1 . 7 . 780 . 1 1 7 TRP CH2 C 10.791 4.100 2.592 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CH2 . . . . . . . . . c19133_2m6h 1 . 7 . 781 . 1 1 7 TRP CZ2 C 10.869 4.996 1.561 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ2 . . . . . . . . . c19133_2m6h 1 . 7 . 782 . 1 1 7 TRP CZ3 C 10.407 2.771 2.374 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ3 . . . . . . . . . c19133_2m6h 1 . 7 . 783 . 1 1 7 TRP H H 8.087 -0.391 -2.709 . . . 1.0 . . . . . . . . . . . . A . 7 TRP H . . . . . . . . . c19133_2m6h 1 . 7 . 784 . 1 1 7 TRP HA H 7.607 2.015 -1.080 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HA . . . . . . . . . c19133_2m6h 1 . 7 . 785 . 1 1 7 TRP HB2 H 10.014 1.026 -1.700 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB2 . . . . . . . . . c19133_2m6h 1 . 7 . 786 . 1 1 7 TRP HB3 H 9.745 1.991 -3.149 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB3 . . . . . . . . . c19133_2m6h 1 . 7 . 787 . 1 1 7 TRP HD1 H 10.061 4.571 -2.952 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HD1 . . . . . . . . . c19133_2m6h 1 . 7 . 788 . 1 1 7 TRP HE1 H 10.770 6.148 -1.046 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE1 . . . . . . . . . c19133_2m6h 1 . 7 . 789 . 1 1 7 TRP HE3 H 9.797 1.288 0.959 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE3 . . . . . . . . . c19133_2m6h 1 . 7 . 790 . 1 1 7 TRP HH2 H 11.028 4.411 3.598 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HH2 . . . . . . . . . c19133_2m6h 1 . 7 . 791 . 1 1 7 TRP HZ2 H 11.166 6.018 1.746 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ2 . . . . . . . . . c19133_2m6h 1 . 7 . 792 . 1 1 7 TRP HZ3 H 10.358 2.095 3.215 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ3 . . . . . . . . . c19133_2m6h 1 . 7 . 793 . 1 1 7 TRP N N 7.714 0.169 -1.997 . . . 1.0 . . . . . . . . . . . . A . 7 TRP N . . . . . . . . . c19133_2m6h 1 . 7 . 794 . 1 1 7 TRP NE1 N 10.542 5.204 -0.914 . . . 1.0 . . . . . . . . . . . . A . 7 TRP NE1 . . . . . . . . . c19133_2m6h 1 . 7 . 795 . 1 1 7 TRP O O 7.553 3.418 -3.525 . . . 1.0 . . . . . . . . . . . . A . 7 TRP O . . . . . . . . . c19133_2m6h 1 . 7 . 796 . 1 1 8 CYS C C 4.690 3.312 -4.434 . . . 1.0 . . . . . . . . . . . . A . 8 CYS C . . . . . . . . . c19133_2m6h 1 . 7 . 797 . 1 1 8 CYS CA C 5.515 2.103 -4.867 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CA . . . . . . . . . c19133_2m6h 1 . 7 . 798 . 1 1 8 CYS CB C 4.596 1.022 -5.439 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CB . . . . . . . . . c19133_2m6h 1 . 7 . 799 . 1 1 8 CYS H H 6.089 0.670 -3.419 . . . 1.0 . . . . . . . . . . . . A . 8 CYS H . . . . . . . . . c19133_2m6h 1 . 7 . 800 . 1 1 8 CYS HA H 6.211 2.413 -5.632 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HA . . . . . . . . . c19133_2m6h 1 . 7 . 801 . 1 1 8 CYS HB2 H 4.199 1.362 -6.384 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB2 . . . . . . . . . c19133_2m6h 1 . 7 . 802 . 1 1 8 CYS HB3 H 5.168 0.120 -5.598 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB3 . . . . . . . . . c19133_2m6h 1 . 7 . 803 . 1 1 8 CYS N N 6.286 1.572 -3.749 . . . 1.0 . . . . . . . . . . . . A . 8 CYS N . . . . . . . . . c19133_2m6h 1 . 7 . 804 . 1 1 8 CYS O O 4.523 4.266 -5.194 . . . 1.0 . . . . . . . . . . . . A . 8 CYS O . . . . . . . . . c19133_2m6h 1 . 7 . 805 . 1 1 8 CYS SG S 3.184 0.603 -4.366 . . . 1.0 . . . . . . . . . . . . A . 8 CYS SG . . . . . . . . . c19133_2m6h 1 . 8 . 806 . 1 1 1 GLY C C 1.727 -1.442 -2.164 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c19133_2m6h 1 . 8 . 807 . 1 1 1 GLY CA C 2.032 -0.295 -1.220 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c19133_2m6h 1 . 8 . 808 . 1 1 1 GLY H1 H 0.394 -0.036 0.097 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c19133_2m6h 1 . 8 . 809 . 1 1 1 GLY HA2 H 2.612 0.447 -1.748 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c19133_2m6h 1 . 8 . 810 . 1 1 1 GLY HA3 H 2.615 -0.671 -0.392 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c19133_2m6h 1 . 8 . 811 . 1 1 1 GLY N N 0.830 0.331 -0.701 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c19133_2m6h 1 . 8 . 812 . 1 1 1 GLY O O 0.610 -1.961 -2.181 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c19133_2m6h 1 . 8 . 813 . 1 1 2 CYS C C 3.404 -4.132 -3.508 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . c19133_2m6h 1 . 8 . 814 . 1 1 2 CYS CA C 2.554 -2.929 -3.904 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . c19133_2m6h 1 . 8 . 815 . 1 1 2 CYS CB C 2.930 -2.466 -5.313 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . c19133_2m6h 1 . 8 . 816 . 1 1 2 CYS H H 3.588 -1.384 -2.892 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . c19133_2m6h 1 . 8 . 817 . 1 1 2 CYS HA H 1.514 -3.220 -3.897 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . c19133_2m6h 1 . 8 . 818 . 1 1 2 CYS HB2 H 4.006 -2.391 -5.384 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . c19133_2m6h 1 . 8 . 819 . 1 1 2 CYS HB3 H 2.578 -3.193 -6.029 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . c19133_2m6h 1 . 8 . 820 . 1 1 2 CYS N N 2.720 -1.837 -2.952 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . c19133_2m6h 1 . 8 . 821 . 1 1 2 CYS O O 4.420 -4.007 -2.823 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . c19133_2m6h 1 . 8 . 822 . 1 1 2 CYS SG S 2.233 -0.848 -5.776 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . c19133_2m6h 1 . 8 . 823 . 1 1 3 PRO C C 5.026 -6.670 -4.381 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . c19133_2m6h 1 . 8 . 824 . 1 1 3 PRO CA C 3.690 -6.575 -3.652 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . c19133_2m6h 1 . 8 . 825 . 1 1 3 PRO CB C 2.729 -7.655 -4.155 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . c19133_2m6h 1 . 8 . 826 . 1 1 3 PRO CD C 1.780 -5.549 -4.769 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . c19133_2m6h 1 . 8 . 827 . 1 1 3 PRO CG C 1.918 -6.981 -5.207 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . c19133_2m6h 1 . 8 . 828 . 1 1 3 PRO HA H 3.850 -6.698 -2.591 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . c19133_2m6h 1 . 8 . 829 . 1 1 3 PRO HB2 H 3.294 -8.483 -4.560 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . c19133_2m6h 1 . 8 . 830 . 1 1 3 PRO HB3 H 2.111 -8.000 -3.339 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . c19133_2m6h 1 . 8 . 831 . 1 1 3 PRO HD2 H 1.770 -4.892 -5.626 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . c19133_2m6h 1 . 8 . 832 . 1 1 3 PRO HD3 H 0.883 -5.419 -4.181 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . c19133_2m6h 1 . 8 . 833 . 1 1 3 PRO HG2 H 2.429 -7.036 -6.156 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . c19133_2m6h 1 . 8 . 834 . 1 1 3 PRO HG3 H 0.946 -7.447 -5.275 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . c19133_2m6h 1 . 8 . 835 . 1 1 3 PRO N N 2.982 -5.326 -3.948 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . c19133_2m6h 1 . 8 . 836 . 1 1 3 PRO O O 5.037 -6.828 -5.601 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . c19133_2m6h 1 . 8 . 837 . 1 1 4 DTR C C 7.996 -5.228 -4.312 . . . 1.0 . . . . . . . . . . . . A . 4 DTR C . . . . . . . . . c19133_2m6h 1 . 8 . 838 . 1 1 4 DTR CA C 7.439 -6.650 -4.214 . . . 1.0 . . . . . . . . . . . . A . 4 DTR CA . . . . . . . . . c19133_2m6h 1 . 8 . 839 . 1 1 4 DTR CB C 8.340 -7.590 -3.411 . . . 1.0 . . . . . . . . . . . . A . 4 DTR CB . . . . . . . . . c19133_2m6h 1 . 8 . 840 . 1 1 4 DTR CD1 C 6.894 -9.486 -2.422 . . . 1.0 . . . . . . . . . . . . A . 4 DTR CD1 . . . . . . . . . c19133_2m6h 1 . 8 . 841 . 1 1 4 DTR CD2 C 8.173 -10.148 -4.106 . . . 1.0 . . . . . . . . . . . . A . 4 DTR CD2 . . . . . . . . . c19133_2m6h 1 . 8 . 842 . 1 1 4 DTR CE2 C 7.458 -11.247 -3.673 . . . 1.0 . . . . . . . . . . . . A . 4 DTR CE2 . . . . . . . . . c19133_2m6h 1 . 8 . 843 . 1 1 4 DTR CE3 C 9.084 -10.241 -5.173 . . . 1.0 . . . . . . . . . . . . A . 4 DTR CE3 . . . . . . . . . c19133_2m6h 1 . 8 . 844 . 1 1 4 DTR CG C 7.800 -9.017 -3.291 . . . 1.0 . . . . . . . . . . . . A . 4 DTR CG . . . . . . . . . c19133_2m6h 1 . 8 . 845 . 1 1 4 DTR CH2 C 8.482 -12.632 -5.316 . . . 1.0 . . . . . . . . . . . . A . 4 DTR CH2 . . . . . . . . . c19133_2m6h 1 . 8 . 846 . 1 1 4 DTR CZ2 C 7.580 -12.517 -4.251 . . . 1.0 . . . . . . . . . . . . A . 4 DTR CZ2 . . . . . . . . . c19133_2m6h 1 . 8 . 847 . 1 1 4 DTR CZ3 C 9.194 -11.516 -5.739 . . . 1.0 . . . . . . . . . . . . A . 4 DTR CZ3 . . . . . . . . . c19133_2m6h 1 . 8 . 848 . 1 1 4 DTR H H 6.095 -6.444 -2.636 . . . 1.0 . . . . . . . . . . . . A . 4 DTR H . . . . . . . . . c19133_2m6h 1 . 8 . 849 . 1 1 4 DTR HA H 7.339 -7.080 -5.210 . . . 1.0 . . . . . . . . . . . . A . 4 DTR HA . . . . . . . . . c19133_2m6h 1 . 8 . 850 . 1 1 4 DTR HB2 H 8.477 -7.179 -2.410 . . . 1.0 . . . . . . . . . . . . A . 4 DTR HB2 . . . . . . . . . c19133_2m6h 1 . 8 . 851 . 1 1 4 DTR HB3 H 9.323 -7.623 -3.879 . . . 1.0 . . . . . . . . . . . . A . 4 DTR HB3 . . . . . . . . . c19133_2m6h 1 . 8 . 852 . 1 1 4 DTR HD1 H 6.406 -8.881 -1.658 . . . 1.0 . . . . . . . . . . . . A . 4 DTR HD1 . . . . . . . . . c19133_2m6h 1 . 8 . 853 . 1 1 4 DTR HE1 H 5.965 -11.454 -2.048 . . . 1.0 . . . . . . . . . . . . A . 4 DTR HE1 . . . . . . . . . c19133_2m6h 1 . 8 . 854 . 1 1 4 DTR HE3 H 9.660 -9.388 -5.533 . . . 1.0 . . . . . . . . . . . . A . 4 DTR HE3 . . . . . . . . . c19133_2m6h 1 . 8 . 855 . 1 1 4 DTR HH2 H 8.624 -13.593 -5.810 . . . 1.0 . . . . . . . . . . . . A . 4 DTR HH2 . . . . . . . . . c19133_2m6h 1 . 8 . 856 . 1 1 4 DTR HZ2 H 7.004 -13.369 -3.891 . . . 1.0 . . . . . . . . . . . . A . 4 DTR HZ2 . . . . . . . . . c19133_2m6h 1 . 8 . 857 . 1 1 4 DTR HZ3 H 9.887 -11.643 -6.571 . . . 1.0 . . . . . . . . . . . . A . 4 DTR HZ3 . . . . . . . . . c19133_2m6h 1 . 8 . 858 . 1 1 4 DTR N N 6.112 -6.573 -3.627 . . . 1.0 . . . . . . . . . . . . A . 4 DTR N . . . . . . . . . c19133_2m6h 1 . 8 . 859 . 1 1 4 DTR NE1 N 6.656 -10.831 -2.617 . . . 1.0 . . . . . . . . . . . . A . 4 DTR NE1 . . . . . . . . . c19133_2m6h 1 . 8 . 860 . 1 1 4 DTR O O 9.206 -5.000 -4.316 . . . 1.0 . . . . . . . . . . . . A . 4 DTR O . . . . . . . . . c19133_2m6h 1 . 8 . 861 . 1 1 5 ASP C C 6.698 -2.030 -3.455 . . . 1.0 . . . . . . . . . . . . A . 5 ASP C . . . . . . . . . c19133_2m6h 1 . 8 . 862 . 1 1 5 ASP CA C 7.449 -2.863 -4.489 . . . 1.0 . . . . . . . . . . . . A . 5 ASP CA . . . . . . . . . c19133_2m6h 1 . 8 . 863 . 1 1 5 ASP CB C 7.162 -2.335 -5.895 . . . 1.0 . . . . . . . . . . . . A . 5 ASP CB . . . . . . . . . c19133_2m6h 1 . 8 . 864 . 1 1 5 ASP CG C 8.117 -2.895 -6.931 . . . 1.0 . . . . . . . . . . . . A . 5 ASP CG . . . . . . . . . c19133_2m6h 1 . 8 . 865 . 1 1 5 ASP H H 6.130 -4.515 -4.383 . . . 1.0 . . . . . . . . . . . . A . 5 ASP H . . . . . . . . . c19133_2m6h 1 . 8 . 866 . 1 1 5 ASP HA H 8.508 -2.785 -4.295 . . . 1.0 . . . . . . . . . . . . A . 5 ASP HA . . . . . . . . . c19133_2m6h 1 . 8 . 867 . 1 1 5 ASP HB2 H 6.155 -2.608 -6.176 . . . 1.0 . . . . . . . . . . . . A . 5 ASP HB2 . . . . . . . . . c19133_2m6h 1 . 8 . 868 . 1 1 5 ASP HB3 H 7.251 -1.258 -5.893 . . . 1.0 . . . . . . . . . . . . A . 5 ASP HB3 . . . . . . . . . c19133_2m6h 1 . 8 . 869 . 1 1 5 ASP N N 7.079 -4.270 -4.391 . . . 1.0 . . . . . . . . . . . . A . 5 ASP N . . . . . . . . . c19133_2m6h 1 . 8 . 870 . 1 1 5 ASP O O 5.713 -1.358 -3.761 . . . 1.0 . . . . . . . . . . . . A . 5 ASP O . . . . . . . . . c19133_2m6h 1 . 8 . 871 . 1 1 5 ASP OD1 O 9.199 -2.301 -7.123 . . . 1.0 . . . . . . . . . . . . A . 5 ASP OD1 . . . . . . . . . c19133_2m6h 1 . 8 . 872 . 1 1 5 ASP OD2 O 7.783 -3.927 -7.548 . . . 1.0 . . . . . . . . . . . . A . 5 ASP OD2 . . . . . . . . . c19133_2m6h 1 . 8 . 873 . 1 1 6 PRO C C 6.767 0.174 -1.225 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . c19133_2m6h 1 . 8 . 874 . 1 1 6 PRO CA C 6.558 -1.331 -1.096 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . c19133_2m6h 1 . 8 . 875 . 1 1 6 PRO CB C 7.285 -1.868 0.139 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . c19133_2m6h 1 . 8 . 876 . 1 1 6 PRO CD C 8.341 -2.856 -1.764 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . c19133_2m6h 1 . 8 . 877 . 1 1 6 PRO CG C 8.599 -2.348 -0.373 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . c19133_2m6h 1 . 8 . 878 . 1 1 6 PRO HA H 5.502 -1.541 -1.014 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . c19133_2m6h 1 . 8 . 879 . 1 1 6 PRO HB2 H 7.408 -1.073 0.861 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB2 . . . . . . . . . c19133_2m6h 1 . 8 . 880 . 1 1 6 PRO HB3 H 6.714 -2.674 0.576 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . c19133_2m6h 1 . 8 . 881 . 1 1 6 PRO HD2 H 9.192 -2.664 -2.401 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD2 . . . . . . . . . c19133_2m6h 1 . 8 . 882 . 1 1 6 PRO HD3 H 8.113 -3.912 -1.745 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . c19133_2m6h 1 . 8 . 883 . 1 1 6 PRO HG2 H 9.304 -1.531 -0.397 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG2 . . . . . . . . . c19133_2m6h 1 . 8 . 884 . 1 1 6 PRO HG3 H 8.968 -3.146 0.254 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . c19133_2m6h 1 . 8 . 885 . 1 1 6 PRO N N 7.171 -2.076 -2.201 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . c19133_2m6h 1 . 8 . 886 . 1 1 6 PRO O O 6.188 0.956 -0.472 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . c19133_2m6h 1 . 8 . 887 . 1 1 7 TRP C C 7.276 2.455 -3.729 . . . 1.0 . . . . . . . . . . . . A . 7 TRP C . . . . . . . . . c19133_2m6h 1 . 8 . 888 . 1 1 7 TRP CA C 7.880 1.984 -2.411 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CA . . . . . . . . . c19133_2m6h 1 . 8 . 889 . 1 1 7 TRP CB C 9.390 2.227 -2.411 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CB . . . . . . . . . c19133_2m6h 1 . 8 . 890 . 1 1 7 TRP CD1 C 10.935 1.293 -0.592 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD1 . . . . . . . . . c19133_2m6h 1 . 8 . 891 . 1 1 7 TRP CD2 C 9.714 3.057 0.053 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD2 . . . . . . . . . c19133_2m6h 1 . 8 . 892 . 1 1 7 TRP CE2 C 10.514 2.643 1.137 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE2 . . . . . . . . . c19133_2m6h 1 . 8 . 893 . 1 1 7 TRP CE3 C 8.863 4.152 0.224 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE3 . . . . . . . . . c19133_2m6h 1 . 8 . 894 . 1 1 7 TRP CG C 9.999 2.180 -1.043 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CG . . . . . . . . . c19133_2m6h 1 . 8 . 895 . 1 1 7 TRP CH2 C 9.641 4.355 2.511 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CH2 . . . . . . . . . c19133_2m6h 1 . 8 . 896 . 1 1 7 TRP CZ2 C 10.484 3.286 2.371 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ2 . . . . . . . . . c19133_2m6h 1 . 8 . 897 . 1 1 7 TRP CZ3 C 8.834 4.788 1.450 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ3 . . . . . . . . . c19133_2m6h 1 . 8 . 898 . 1 1 7 TRP H H 8.027 -0.101 -2.752 . . . 1.0 . . . . . . . . . . . . A . 7 TRP H . . . . . . . . . c19133_2m6h 1 . 8 . 899 . 1 1 7 TRP HA H 7.434 2.545 -1.603 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HA . . . . . . . . . c19133_2m6h 1 . 8 . 900 . 1 1 7 TRP HB2 H 9.870 1.473 -3.016 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB2 . . . . . . . . . c19133_2m6h 1 . 8 . 901 . 1 1 7 TRP HB3 H 9.590 3.202 -2.832 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB3 . . . . . . . . . c19133_2m6h 1 . 8 . 902 . 1 1 7 TRP HD1 H 11.356 0.499 -1.189 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HD1 . . . . . . . . . c19133_2m6h 1 . 8 . 903 . 1 1 7 TRP HE1 H 11.895 1.069 1.263 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE1 . . . . . . . . . c19133_2m6h 1 . 8 . 904 . 1 1 7 TRP HE3 H 8.233 4.501 -0.581 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE3 . . . . . . . . . c19133_2m6h 1 . 8 . 905 . 1 1 7 TRP HH2 H 9.587 4.882 3.450 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HH2 . . . . . . . . . c19133_2m6h 1 . 8 . 906 . 1 1 7 TRP HZ2 H 11.101 2.964 3.198 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ2 . . . . . . . . . c19133_2m6h 1 . 8 . 907 . 1 1 7 TRP HZ3 H 8.182 5.636 1.601 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ3 . . . . . . . . . c19133_2m6h 1 . 8 . 908 . 1 1 7 TRP N N 7.596 0.571 -2.184 . . . 1.0 . . . . . . . . . . . . A . 7 TRP N . . . . . . . . . c19133_2m6h 1 . 8 . 909 . 1 1 7 TRP NE1 N 11.248 1.565 0.718 . . . 1.0 . . . . . . . . . . . . A . 7 TRP NE1 . . . . . . . . . c19133_2m6h 1 . 8 . 910 . 1 1 7 TRP O O 7.631 3.518 -4.241 . . . 1.0 . . . . . . . . . . . . A . 7 TRP O . . . . . . . . . c19133_2m6h 1 . 8 . 911 . 1 1 8 CYS C C 4.865 3.257 -5.389 . . . 1.0 . . . . . . . . . . . . A . 8 CYS C . . . . . . . . . c19133_2m6h 1 . 8 . 912 . 1 1 8 CYS CA C 5.709 1.995 -5.534 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CA . . . . . . . . . c19133_2m6h 1 . 8 . 913 . 1 1 8 CYS CB C 4.833 0.833 -6.004 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CB . . . . . . . . . c19133_2m6h 1 . 8 . 914 . 1 1 8 CYS H H 6.122 0.825 -3.819 . . . 1.0 . . . . . . . . . . . . A . 8 CYS H . . . . . . . . . c19133_2m6h 1 . 8 . 915 . 1 1 8 CYS HA H 6.479 2.174 -6.270 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HA . . . . . . . . . c19133_2m6h 1 . 8 . 916 . 1 1 8 CYS HB2 H 4.534 1.008 -7.027 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB2 . . . . . . . . . c19133_2m6h 1 . 8 . 917 . 1 1 8 CYS HB3 H 5.404 -0.083 -5.953 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB3 . . . . . . . . . c19133_2m6h 1 . 8 . 918 . 1 1 8 CYS N N 6.363 1.659 -4.275 . . . 1.0 . . . . . . . . . . . . A . 8 CYS N . . . . . . . . . c19133_2m6h 1 . 8 . 919 . 1 1 8 CYS O O 5.121 4.266 -6.047 . . . 1.0 . . . . . . . . . . . . A . 8 CYS O . . . . . . . . . c19133_2m6h 1 . 8 . 920 . 1 1 8 CYS SG S 3.319 0.598 -5.018 . . . 1.0 . . . . . . . . . . . . A . 8 CYS SG . . . . . . . . . c19133_2m6h 1 . 9 . 921 . 1 1 1 GLY C C 1.643 -1.273 -2.256 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c19133_2m6h 1 . 9 . 922 . 1 1 1 GLY CA C 1.988 -0.185 -1.259 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c19133_2m6h 1 . 9 . 923 . 1 1 1 GLY H1 H 0.241 0.021 -0.080 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c19133_2m6h 1 . 9 . 924 . 1 1 1 GLY HA2 H 1.834 0.777 -1.724 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c19133_2m6h 1 . 9 . 925 . 1 1 1 GLY HA3 H 3.028 -0.280 -0.986 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c19133_2m6h 1 . 9 . 926 . 1 1 1 GLY N N 1.179 -0.259 -0.056 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c19133_2m6h 1 . 9 . 927 . 1 1 1 GLY O O 0.491 -1.698 -2.350 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c19133_2m6h 1 . 9 . 928 . 1 1 2 CYS C C 3.165 -4.051 -3.604 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . c19133_2m6h 1 . 9 . 929 . 1 1 2 CYS CA C 2.441 -2.769 -4.003 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . c19133_2m6h 1 . 9 . 930 . 1 1 2 CYS CB C 2.934 -2.297 -5.373 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . c19133_2m6h 1 . 9 . 931 . 1 1 2 CYS H H 3.540 -1.347 -2.885 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . c19133_2m6h 1 . 9 . 932 . 1 1 2 CYS HA H 1.382 -2.971 -4.062 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . c19133_2m6h 1 . 9 . 933 . 1 1 2 CYS HB2 H 4.014 -2.311 -5.382 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . c19133_2m6h 1 . 9 . 934 . 1 1 2 CYS HB3 H 2.564 -2.970 -6.132 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . c19133_2m6h 1 . 9 . 935 . 1 1 2 CYS N N 2.643 -1.725 -3.006 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . c19133_2m6h 1 . 9 . 936 . 1 1 2 CYS O O 4.147 -4.033 -2.861 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . c19133_2m6h 1 . 9 . 937 . 1 1 2 CYS SG S 2.399 -0.613 -5.815 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . c19133_2m6h 1 . 9 . 938 . 1 1 3 PRO C C 4.618 -6.689 -4.477 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . c19133_2m6h 1 . 9 . 939 . 1 1 3 PRO CA C 3.255 -6.504 -3.818 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . c19133_2m6h 1 . 9 . 940 . 1 1 3 PRO CB C 2.238 -7.484 -4.410 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . c19133_2m6h 1 . 9 . 941 . 1 1 3 PRO CD C 1.503 -5.287 -5.000 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . c19133_2m6h 1 . 9 . 942 . 1 1 3 PRO CG C 1.546 -6.712 -5.480 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . c19133_2m6h 1 . 9 . 943 . 1 1 3 PRO HA H 3.344 -6.673 -2.755 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . c19133_2m6h 1 . 9 . 944 . 1 1 3 PRO HB2 H 2.755 -8.343 -4.813 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . c19133_2m6h 1 . 9 . 945 . 1 1 3 PRO HB3 H 1.548 -7.799 -3.642 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . c19133_2m6h 1 . 9 . 946 . 1 1 3 PRO HD2 H 1.596 -4.606 -5.832 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . c19133_2m6h 1 . 9 . 947 . 1 1 3 PRO HD3 H 0.588 -5.100 -4.457 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . c19133_2m6h 1 . 9 . 948 . 1 1 3 PRO HG2 H 2.104 -6.780 -6.401 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . c19133_2m6h 1 . 9 . 949 . 1 1 3 PRO HG3 H 0.545 -7.091 -5.616 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . c19133_2m6h 1 . 9 . 950 . 1 1 3 PRO N N 2.670 -5.191 -4.108 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . c19133_2m6h 1 . 9 . 951 . 1 1 3 PRO O O 4.685 -6.812 -5.699 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . c19133_2m6h 1 . 9 . 952 . 1 1 4 DTR C C 7.688 -5.505 -4.198 . . . 1.0 . . . . . . . . . . . . A . 4 DTR C . . . . . . . . . c19133_2m6h 1 . 9 . 953 . 1 1 4 DTR CA C 7.011 -6.878 -4.179 . . . 1.0 . . . . . . . . . . . . A . 4 DTR CA . . . . . . . . . c19133_2m6h 1 . 9 . 954 . 1 1 4 DTR CB C 7.784 -7.914 -3.361 . . . 1.0 . . . . . . . . . . . . A . 4 DTR CB . . . . . . . . . c19133_2m6h 1 . 9 . 955 . 1 1 4 DTR CD1 C 6.236 -9.944 -3.739 . . . 1.0 . . . . . . . . . . . . A . 4 DTR CD1 . . . . . . . . . c19133_2m6h 1 . 9 . 956 . 1 1 4 DTR CD2 C 8.376 -10.400 -4.086 . . . 1.0 . . . . . . . . . . . . A . 4 DTR CD2 . . . . . . . . . c19133_2m6h 1 . 9 . 957 . 1 1 4 DTR CE2 C 7.664 -11.559 -4.320 . . . 1.0 . . . . . . . . . . . . A . 4 DTR CE2 . . . . . . . . . c19133_2m6h 1 . 9 . 958 . 1 1 4 DTR CE3 C 9.775 -10.359 -4.222 . . . 1.0 . . . . . . . . . . . . A . 4 DTR CE3 . . . . . . . . . c19133_2m6h 1 . 9 . 959 . 1 1 4 DTR CG C 7.443 -9.364 -3.712 . . . 1.0 . . . . . . . . . . . . A . 4 DTR CG . . . . . . . . . c19133_2m6h 1 . 9 . 960 . 1 1 4 DTR CH2 C 9.657 -12.746 -4.846 . . . 1.0 . . . . . . . . . . . . A . 4 DTR CH2 . . . . . . . . . c19133_2m6h 1 . 9 . 961 . 1 1 4 DTR CZ2 C 8.265 -12.763 -4.704 . . . 1.0 . . . . . . . . . . . . A . 4 DTR CZ2 . . . . . . . . . c19133_2m6h 1 . 9 . 962 . 1 1 4 DTR CZ3 C 10.360 -11.571 -4.607 . . . 1.0 . . . . . . . . . . . . A . 4 DTR CZ3 . . . . . . . . . c19133_2m6h 1 . 9 . 963 . 1 1 4 DTR H H 5.601 -6.607 -2.670 . . . 1.0 . . . . . . . . . . . . A . 4 DTR H . . . . . . . . . c19133_2m6h 1 . 9 . 964 . 1 1 4 DTR HA H 6.932 -7.268 -5.193 . . . 1.0 . . . . . . . . . . . . A . 4 DTR HA . . . . . . . . . c19133_2m6h 1 . 9 . 965 . 1 1 4 DTR HB2 H 7.583 -7.750 -2.302 . . . 1.0 . . . . . . . . . . . . A . 4 DTR HB2 . . . . . . . . . c19133_2m6h 1 . 9 . 966 . 1 1 4 DTR HB3 H 8.852 -7.756 -3.511 . . . 1.0 . . . . . . . . . . . . A . 4 DTR HB3 . . . . . . . . . c19133_2m6h 1 . 9 . 967 . 1 1 4 DTR HD1 H 5.303 -9.431 -3.504 . . . 1.0 . . . . . . . . . . . . A . 4 DTR HD1 . . . . . . . . . c19133_2m6h 1 . 9 . 968 . 1 1 4 DTR HE1 H 5.489 -11.969 -4.201 . . . 1.0 . . . . . . . . . . . . A . 4 DTR HE1 . . . . . . . . . c19133_2m6h 1 . 9 . 969 . 1 1 4 DTR HE3 H 10.359 -9.457 -4.043 . . . 1.0 . . . . . . . . . . . . A . 4 DTR HE3 . . . . . . . . . c19133_2m6h 1 . 9 . 970 . 1 1 4 DTR HH2 H 10.188 -13.651 -5.143 . . . 1.0 . . . . . . . . . . . . A . 4 DTR HH2 . . . . . . . . . c19133_2m6h 1 . 9 . 971 . 1 1 4 DTR HZ2 H 7.680 -13.665 -4.883 . . . 1.0 . . . . . . . . . . . . A . 4 DTR HZ2 . . . . . . . . . c19133_2m6h 1 . 9 . 972 . 1 1 4 DTR HZ3 H 11.443 -11.595 -4.727 . . . 1.0 . . . . . . . . . . . . A . 4 DTR HZ3 . . . . . . . . . c19133_2m6h 1 . 9 . 973 . 1 1 4 DTR N N 5.664 -6.707 -3.663 . . . 1.0 . . . . . . . . . . . . A . 4 DTR N . . . . . . . . . c19133_2m6h 1 . 9 . 974 . 1 1 4 DTR NE1 N 6.321 -11.272 -4.102 . . . 1.0 . . . . . . . . . . . . A . 4 DTR NE1 . . . . . . . . . c19133_2m6h 1 . 9 . 975 . 1 1 4 DTR O O 8.911 -5.380 -4.129 . . . 1.0 . . . . . . . . . . . . A . 4 DTR O . . . . . . . . . c19133_2m6h 1 . 9 . 976 . 1 1 5 ASP C C 6.612 -2.237 -3.303 . . . 1.0 . . . . . . . . . . . . A . 5 ASP C . . . . . . . . . c19133_2m6h 1 . 9 . 977 . 1 1 5 ASP CA C 7.349 -3.099 -4.323 . . . 1.0 . . . . . . . . . . . . A . 5 ASP CA . . . . . . . . . c19133_2m6h 1 . 9 . 978 . 1 1 5 ASP CB C 7.184 -2.506 -5.724 . . . 1.0 . . . . . . . . . . . . A . 5 ASP CB . . . . . . . . . c19133_2m6h 1 . 9 . 979 . 1 1 5 ASP CG C 7.910 -3.312 -6.783 . . . 1.0 . . . . . . . . . . . . A . 5 ASP CG . . . . . . . . . c19133_2m6h 1 . 9 . 980 . 1 1 5 ASP H H 5.894 -4.636 -4.345 . . . 1.0 . . . . . . . . . . . . A . 5 ASP H . . . . . . . . . c19133_2m6h 1 . 9 . 981 . 1 1 5 ASP HA H 8.398 -3.116 -4.071 . . . 1.0 . . . . . . . . . . . . A . 5 ASP HA . . . . . . . . . c19133_2m6h 1 . 9 . 982 . 1 1 5 ASP HB2 H 6.134 -2.479 -5.975 . . . 1.0 . . . . . . . . . . . . A . 5 ASP HB2 . . . . . . . . . c19133_2m6h 1 . 9 . 983 . 1 1 5 ASP HB3 H 7.577 -1.500 -5.730 . . . 1.0 . . . . . . . . . . . . A . 5 ASP HB3 . . . . . . . . . c19133_2m6h 1 . 9 . 984 . 1 1 5 ASP N N 6.859 -4.472 -4.294 . . . 1.0 . . . . . . . . . . . . A . 5 ASP N . . . . . . . . . c19133_2m6h 1 . 9 . 985 . 1 1 5 ASP O O 5.705 -1.475 -3.637 . . . 1.0 . . . . . . . . . . . . A . 5 ASP O . . . . . . . . . c19133_2m6h 1 . 9 . 986 . 1 1 5 ASP OD1 O 9.133 -3.517 -6.638 . . . 1.0 . . . . . . . . . . . . A . 5 ASP OD1 . . . . . . . . . c19133_2m6h 1 . 9 . 987 . 1 1 5 ASP OD2 O 7.254 -3.737 -7.758 . . . 1.0 . . . . . . . . . . . . A . 5 ASP OD2 . . . . . . . . . c19133_2m6h 1 . 9 . 988 . 1 1 6 PRO C C 6.739 -0.115 -0.997 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . c19133_2m6h 1 . 9 . 989 . 1 1 6 PRO CA C 6.400 -1.600 -0.932 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . c19133_2m6h 1 . 9 . 990 . 1 1 6 PRO CB C 7.010 -2.234 0.321 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . c19133_2m6h 1 . 9 . 991 . 1 1 6 PRO CD C 8.085 -3.249 -1.557 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . c19133_2m6h 1 . 9 . 992 . 1 1 6 PRO CG C 8.307 -2.807 -0.137 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . c19133_2m6h 1 . 9 . 993 . 1 1 6 PRO HA H 5.327 -1.723 -0.913 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . c19133_2m6h 1 . 9 . 994 . 1 1 6 PRO HB2 H 7.158 -1.474 1.076 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB2 . . . . . . . . . c19133_2m6h 1 . 9 . 995 . 1 1 6 PRO HB3 H 6.351 -3.001 0.699 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . c19133_2m6h 1 . 9 . 996 . 1 1 6 PRO HD2 H 8.983 -3.110 -2.140 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD2 . . . . . . . . . c19133_2m6h 1 . 9 . 997 . 1 1 6 PRO HD3 H 7.770 -4.282 -1.586 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . c19133_2m6h 1 . 9 . 998 . 1 1 6 PRO HG2 H 9.077 -2.052 -0.095 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG2 . . . . . . . . . c19133_2m6h 1 . 9 . 999 . 1 1 6 PRO HG3 H 8.573 -3.652 0.481 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . c19133_2m6h 1 . 9 . 1000 . 1 1 6 PRO N N 7.010 -2.360 -2.027 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . c19133_2m6h 1 . 9 . 1001 . 1 1 6 PRO O O 6.186 0.691 -0.249 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . c19133_2m6h 1 . 9 . 1002 . 1 1 7 TRP C C 7.576 2.189 -3.390 . . . 1.0 . . . . . . . . . . . . A . 7 TRP C . . . . . . . . . c19133_2m6h 1 . 9 . 1003 . 1 1 7 TRP CA C 8.062 1.629 -2.058 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CA . . . . . . . . . c19133_2m6h 1 . 9 . 1004 . 1 1 7 TRP CB C 9.585 1.745 -1.968 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CB . . . . . . . . . c19133_2m6h 1 . 9 . 1005 . 1 1 7 TRP CD1 C 10.509 4.135 -2.012 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD1 . . . . . . . . . c19133_2m6h 1 . 9 . 1006 . 1 1 7 TRP CD2 C 10.094 3.346 0.043 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD2 . . . . . . . . . c19133_2m6h 1 . 9 . 1007 . 1 1 7 TRP CE2 C 10.594 4.658 0.157 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE2 . . . . . . . . . c19133_2m6h 1 . 9 . 1008 . 1 1 7 TRP CE3 C 9.760 2.649 1.207 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE3 . . . . . . . . . c19133_2m6h 1 . 9 . 1009 . 1 1 7 TRP CG C 10.047 3.032 -1.353 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CG . . . . . . . . . c19133_2m6h 1 . 9 . 1010 . 1 1 7 TRP CH2 C 10.433 4.577 2.513 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CH2 . . . . . . . . . c19133_2m6h 1 . 9 . 1011 . 1 1 7 TRP CZ2 C 10.768 5.283 1.389 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ2 . . . . . . . . . c19133_2m6h 1 . 9 . 1012 . 1 1 7 TRP CZ3 C 9.933 3.270 2.429 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ3 . . . . . . . . . c19133_2m6h 1 . 9 . 1013 . 1 1 7 TRP H H 8.056 -0.449 -2.464 . . . 1.0 . . . . . . . . . . . . A . 7 TRP H . . . . . . . . . c19133_2m6h 1 . 9 . 1014 . 1 1 7 TRP HA H 7.619 2.202 -1.257 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HA . . . . . . . . . c19133_2m6h 1 . 9 . 1015 . 1 1 7 TRP HB2 H 9.967 0.933 -1.368 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB2 . . . . . . . . . c19133_2m6h 1 . 9 . 1016 . 1 1 7 TRP HB3 H 10.003 1.681 -2.962 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB3 . . . . . . . . . c19133_2m6h 1 . 9 . 1017 . 1 1 7 TRP HD1 H 10.598 4.210 -3.085 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HD1 . . . . . . . . . c19133_2m6h 1 . 9 . 1018 . 1 1 7 TRP HE1 H 11.194 6.003 -1.337 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE1 . . . . . . . . . c19133_2m6h 1 . 9 . 1019 . 1 1 7 TRP HE3 H 9.373 1.641 1.162 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE3 . . . . . . . . . c19133_2m6h 1 . 9 . 1020 . 1 1 7 TRP HH2 H 10.552 5.023 3.488 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HH2 . . . . . . . . . c19133_2m6h 1 . 9 . 1021 . 1 1 7 TRP HZ2 H 11.151 6.290 1.471 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ2 . . . . . . . . . c19133_2m6h 1 . 9 . 1022 . 1 1 7 TRP HZ3 H 9.681 2.747 3.339 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ3 . . . . . . . . . c19133_2m6h 1 . 9 . 1023 . 1 1 7 TRP N N 7.650 0.240 -1.896 . . . 1.0 . . . . . . . . . . . . A . 7 TRP N . . . . . . . . . c19133_2m6h 1 . 9 . 1024 . 1 1 7 TRP NE1 N 10.840 5.117 -1.110 . . . 1.0 . . . . . . . . . . . . A . 7 TRP NE1 . . . . . . . . . c19133_2m6h 1 . 9 . 1025 . 1 1 7 TRP O O 8.045 3.233 -3.845 . . . 1.0 . . . . . . . . . . . . A . 7 TRP O . . . . . . . . . c19133_2m6h 1 . 9 . 1026 . 1 1 8 CYS C C 5.340 3.243 -5.151 . . . 1.0 . . . . . . . . . . . . A . 8 CYS C . . . . . . . . . c19133_2m6h 1 . 9 . 1027 . 1 1 8 CYS CA C 6.082 1.917 -5.293 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CA . . . . . . . . . c19133_2m6h 1 . 9 . 1028 . 1 1 8 CYS CB C 5.138 0.848 -5.847 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CB . . . . . . . . . c19133_2m6h 1 . 9 . 1029 . 1 1 8 CYS H H 6.298 0.665 -3.599 . . . 1.0 . . . . . . . . . . . . A . 8 CYS H . . . . . . . . . c19133_2m6h 1 . 9 . 1030 . 1 1 8 CYS HA H 6.904 2.050 -5.979 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HA . . . . . . . . . c19133_2m6h 1 . 9 . 1031 . 1 1 8 CYS HB2 H 4.910 1.080 -6.878 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB2 . . . . . . . . . c19133_2m6h 1 . 9 . 1032 . 1 1 8 CYS HB3 H 5.627 -0.113 -5.801 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB3 . . . . . . . . . c19133_2m6h 1 . 9 . 1033 . 1 1 8 CYS N N 6.632 1.490 -4.012 . . . 1.0 . . . . . . . . . . . . A . 8 CYS N . . . . . . . . . c19133_2m6h 1 . 9 . 1034 . 1 1 8 CYS O O 5.007 3.663 -4.043 . . . 1.0 . . . . . . . . . . . . A . 8 CYS O . . . . . . . . . c19133_2m6h 1 . 9 . 1035 . 1 1 8 CYS SG S 3.559 0.712 -4.949 . . . 1.0 . . . . . . . . . . . . A . 8 CYS SG . . . . . . . . . c19133_2m6h 1 . 10 . 1036 . 1 1 1 GLY C C 1.596 -1.567 -2.330 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c19133_2m6h 1 . 10 . 1037 . 1 1 1 GLY CA C 1.855 -0.594 -1.197 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c19133_2m6h 1 . 10 . 1038 . 1 1 1 GLY H1 H 1.671 -0.915 0.888 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c19133_2m6h 1 . 10 . 1039 . 1 1 1 GLY HA2 H 1.003 0.062 -1.097 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c19133_2m6h 1 . 10 . 1040 . 1 1 1 GLY HA3 H 2.726 -0.002 -1.439 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c19133_2m6h 1 . 10 . 1041 . 1 1 1 GLY N N 2.082 -1.265 0.070 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c19133_2m6h 1 . 10 . 1042 . 1 1 1 GLY O O 0.463 -2.000 -2.539 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c19133_2m6h 1 . 10 . 1043 . 1 1 2 CYS C C 3.280 -4.135 -3.898 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . c19133_2m6h 1 . 10 . 1044 . 1 1 2 CYS CA C 2.530 -2.837 -4.184 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . c19133_2m6h 1 . 10 . 1045 . 1 1 2 CYS CB C 3.071 -2.195 -5.464 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . c19133_2m6h 1 . 10 . 1046 . 1 1 2 CYS H H 3.527 -1.532 -2.849 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . c19133_2m6h 1 . 10 . 1047 . 1 1 2 CYS HA H 1.484 -3.063 -4.319 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . c19133_2m6h 1 . 10 . 1048 . 1 1 2 CYS HB2 H 4.080 -1.854 -5.287 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . c19133_2m6h 1 . 10 . 1049 . 1 1 2 CYS HB3 H 3.078 -2.933 -6.252 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . c19133_2m6h 1 . 10 . 1050 . 1 1 2 CYS N N 2.649 -1.911 -3.065 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . c19133_2m6h 1 . 10 . 1051 . 1 1 2 CYS O O 4.219 -4.176 -3.102 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . c19133_2m6h 1 . 10 . 1052 . 1 1 2 CYS SG S 2.099 -0.769 -6.047 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . c19133_2m6h 1 . 10 . 1053 . 1 1 3 PRO C C 4.876 -6.604 -4.990 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . c19133_2m6h 1 . 10 . 1054 . 1 1 3 PRO CA C 3.474 -6.541 -4.395 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . c19133_2m6h 1 . 10 . 1055 . 1 1 3 PRO CB C 2.528 -7.473 -5.156 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . c19133_2m6h 1 . 10 . 1056 . 1 1 3 PRO CD C 1.743 -5.245 -5.524 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . c19133_2m6h 1 . 10 . 1057 . 1 1 3 PRO CG C 1.866 -6.600 -6.165 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . c19133_2m6h 1 . 10 . 1058 . 1 1 3 PRO HA H 3.511 -6.833 -3.356 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . c19133_2m6h 1 . 10 . 1059 . 1 1 3 PRO HB2 H 3.097 -8.262 -5.627 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . c19133_2m6h 1 . 10 . 1060 . 1 1 3 PRO HB3 H 1.810 -7.900 -4.472 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . c19133_2m6h 1 . 10 . 1061 . 1 1 3 PRO HD2 H 1.856 -4.466 -6.263 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . c19133_2m6h 1 . 10 . 1062 . 1 1 3 PRO HD3 H 0.794 -5.153 -5.017 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . c19133_2m6h 1 . 10 . 1063 . 1 1 3 PRO HG2 H 2.475 -6.540 -7.055 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . c19133_2m6h 1 . 10 . 1064 . 1 1 3 PRO HG3 H 0.888 -6.991 -6.404 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . c19133_2m6h 1 . 10 . 1065 . 1 1 3 PRO N N 2.856 -5.221 -4.561 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . c19133_2m6h 1 . 10 . 1066 . 1 1 3 PRO O O 5.011 -6.604 -6.213 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . c19133_2m6h 1 . 10 . 1067 . 1 1 4 DTR C C 7.862 -5.319 -4.445 . . . 1.0 . . . . . . . . . . . . A . 4 DTR C . . . . . . . . . c19133_2m6h 1 . 10 . 1068 . 1 1 4 DTR CA C 7.257 -6.718 -4.578 . . . 1.0 . . . . . . . . . . . . A . 4 DTR CA . . . . . . . . . c19133_2m6h 1 . 10 . 1069 . 1 1 4 DTR CB C 8.039 -7.784 -3.808 . . . 1.0 . . . . . . . . . . . . A . 4 DTR CB . . . . . . . . . c19133_2m6h 1 . 10 . 1070 . 1 1 4 DTR CD1 C 6.614 -9.631 -4.912 . . . 1.0 . . . . . . . . . . . . A . 4 DTR CD1 . . . . . . . . . c19133_2m6h 1 . 10 . 1071 . 1 1 4 DTR CD2 C 8.300 -10.425 -3.714 . . . 1.0 . . . . . . . . . . . . A . 4 DTR CD2 . . . . . . . . . c19133_2m6h 1 . 10 . 1072 . 1 1 4 DTR CE2 C 7.624 -11.506 -4.244 . . . 1.0 . . . . . . . . . . . . A . 4 DTR CE2 . . . . . . . . . c19133_2m6h 1 . 10 . 1073 . 1 1 4 DTR CE3 C 9.431 -10.597 -2.898 . . . 1.0 . . . . . . . . . . . . A . 4 DTR CE3 . . . . . . . . . c19133_2m6h 1 . 10 . 1074 . 1 1 4 DTR CG C 7.638 -9.220 -4.152 . . . 1.0 . . . . . . . . . . . . A . 4 DTR CG . . . . . . . . . c19133_2m6h 1 . 10 . 1075 . 1 1 4 DTR CH2 C 9.129 -13.029 -3.206 . . . 1.0 . . . . . . . . . . . . A . 4 DTR CH2 . . . . . . . . . c19133_2m6h 1 . 10 . 1076 . 1 1 4 DTR CZ2 C 8.004 -12.834 -4.016 . . . 1.0 . . . . . . . . . . . . A . 4 DTR CZ2 . . . . . . . . . c19133_2m6h 1 . 10 . 1077 . 1 1 4 DTR CZ3 C 9.798 -11.930 -2.679 . . . 1.0 . . . . . . . . . . . . A . 4 DTR CZ3 . . . . . . . . . c19133_2m6h 1 . 10 . 1078 . 1 1 4 DTR H H 5.759 -6.654 -3.131 . . . 1.0 . . . . . . . . . . . . A . 4 DTR H . . . . . . . . . c19133_2m6h 1 . 10 . 1079 . 1 1 4 DTR HA H 7.250 -7.023 -5.624 . . . 1.0 . . . . . . . . . . . . A . 4 DTR HA . . . . . . . . . c19133_2m6h 1 . 10 . 1080 . 1 1 4 DTR HB2 H 7.897 -7.623 -2.740 . . . 1.0 . . . . . . . . . . . . A . 4 DTR HB2 . . . . . . . . . c19133_2m6h 1 . 10 . 1081 . 1 1 4 DTR HB3 H 9.103 -7.656 -4.011 . . . 1.0 . . . . . . . . . . . . A . 4 DTR HB3 . . . . . . . . . c19133_2m6h 1 . 10 . 1082 . 1 1 4 DTR HD1 H 5.906 -8.962 -5.402 . . . 1.0 . . . . . . . . . . . . A . 4 DTR HD1 . . . . . . . . . c19133_2m6h 1 . 10 . 1083 . 1 1 4 DTR HE1 H 5.835 -11.595 -5.549 . . . 1.0 . . . . . . . . . . . . A . 4 DTR HE1 . . . . . . . . . c19133_2m6h 1 . 10 . 1084 . 1 1 4 DTR HE3 H 9.981 -9.760 -2.467 . . . 1.0 . . . . . . . . . . . . A . 4 DTR HE3 . . . . . . . . . c19133_2m6h 1 . 10 . 1085 . 1 1 4 DTR HH2 H 9.478 -14.039 -2.988 . . . 1.0 . . . . . . . . . . . . A . 4 DTR HH2 . . . . . . . . . c19133_2m6h 1 . 10 . 1086 . 1 1 4 DTR HZ2 H 7.454 -13.671 -4.447 . . . 1.0 . . . . . . . . . . . . A . 4 DTR HZ2 . . . . . . . . . c19133_2m6h 1 . 10 . 1087 . 1 1 4 DTR HZ3 H 10.669 -12.120 -2.053 . . . 1.0 . . . . . . . . . . . . A . 4 DTR HZ3 . . . . . . . . . c19133_2m6h 1 . 10 . 1088 . 1 1 4 DTR N N 5.878 -6.655 -4.124 . . . 1.0 . . . . . . . . . . . . A . 4 DTR N . . . . . . . . . c19133_2m6h 1 . 10 . 1089 . 1 1 4 DTR NE1 N 6.567 -11.007 -4.996 . . . 1.0 . . . . . . . . . . . . A . 4 DTR NE1 . . . . . . . . . c19133_2m6h 1 . 10 . 1090 . 1 1 4 DTR O O 9.073 -5.143 -4.304 . . . 1.0 . . . . . . . . . . . . A . 4 DTR O . . . . . . . . . c19133_2m6h 1 . 10 . 1091 . 1 1 5 ASP C C 6.666 -2.229 -3.245 . . . 1.0 . . . . . . . . . . . . A . 5 ASP C . . . . . . . . . c19133_2m6h 1 . 10 . 1092 . 1 1 5 ASP CA C 7.407 -2.929 -4.380 . . . 1.0 . . . . . . . . . . . . A . 5 ASP CA . . . . . . . . . c19133_2m6h 1 . 10 . 1093 . 1 1 5 ASP CB C 7.163 -2.191 -5.697 . . . 1.0 . . . . . . . . . . . . A . 5 ASP CB . . . . . . . . . c19133_2m6h 1 . 10 . 1094 . 1 1 5 ASP CG C 7.576 -3.010 -6.905 . . . 1.0 . . . . . . . . . . . . A . 5 ASP CG . . . . . . . . . c19133_2m6h 1 . 10 . 1095 . 1 1 5 ASP H H 6.035 -4.526 -4.607 . . . 1.0 . . . . . . . . . . . . A . 5 ASP H . . . . . . . . . c19133_2m6h 1 . 10 . 1096 . 1 1 5 ASP HA H 8.464 -2.919 -4.163 . . . 1.0 . . . . . . . . . . . . A . 5 ASP HA . . . . . . . . . c19133_2m6h 1 . 10 . 1097 . 1 1 5 ASP HB2 H 6.110 -1.963 -5.785 . . . 1.0 . . . . . . . . . . . . A . 5 ASP HB2 . . . . . . . . . c19133_2m6h 1 . 10 . 1098 . 1 1 5 ASP HB3 H 7.728 -1.271 -5.697 . . . 1.0 . . . . . . . . . . . . A . 5 ASP HB3 . . . . . . . . . c19133_2m6h 1 . 10 . 1099 . 1 1 5 ASP N N 6.987 -4.321 -4.493 . . . 1.0 . . . . . . . . . . . . A . 5 ASP N . . . . . . . . . c19133_2m6h 1 . 10 . 1100 . 1 1 5 ASP O O 5.683 -1.519 -3.458 . . . 1.0 . . . . . . . . . . . . A . 5 ASP O . . . . . . . . . c19133_2m6h 1 . 10 . 1101 . 1 1 5 ASP OD1 O 8.552 -3.781 -6.792 . . . 1.0 . . . . . . . . . . . . A . 5 ASP OD1 . . . . . . . . . c19133_2m6h 1 . 10 . 1102 . 1 1 5 ASP OD2 O 6.925 -2.879 -7.962 . . . 1.0 . . . . . . . . . . . . A . 5 ASP OD2 . . . . . . . . . c19133_2m6h 1 . 10 . 1103 . 1 1 6 PRO C C 6.760 -0.321 -0.758 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . c19133_2m6h 1 . 10 . 1104 . 1 1 6 PRO CA C 6.545 -1.829 -0.817 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . c19133_2m6h 1 . 10 . 1105 . 1 1 6 PRO CB C 7.276 -2.519 0.337 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . c19133_2m6h 1 . 10 . 1106 . 1 1 6 PRO CD C 8.315 -3.266 -1.682 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . c19133_2m6h 1 . 10 . 1107 . 1 1 6 PRO CG C 8.585 -2.937 -0.240 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . c19133_2m6h 1 . 10 . 1108 . 1 1 6 PRO HA H 5.488 -2.044 -0.754 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . c19133_2m6h 1 . 10 . 1109 . 1 1 6 PRO HB2 H 7.408 -1.821 1.152 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB2 . . . . . . . . . c19133_2m6h 1 . 10 . 1110 . 1 1 6 PRO HB3 H 6.704 -3.371 0.674 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . c19133_2m6h 1 . 10 . 1111 . 1 1 6 PRO HD2 H 9.164 -2.999 -2.295 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD2 . . . . . . . . . c19133_2m6h 1 . 10 . 1112 . 1 1 6 PRO HD3 H 8.083 -4.315 -1.793 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . c19133_2m6h 1 . 10 . 1113 . 1 1 6 PRO HG2 H 9.294 -2.127 -0.166 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG2 . . . . . . . . . c19133_2m6h 1 . 10 . 1114 . 1 1 6 PRO HG3 H 8.954 -3.809 0.280 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . c19133_2m6h 1 . 10 . 1115 . 1 1 6 PRO N N 7.147 -2.432 -2.010 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . c19133_2m6h 1 . 10 . 1116 . 1 1 6 PRO O O 6.197 0.363 0.097 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . c19133_2m6h 1 . 10 . 1117 . 1 1 7 TRP C C 6.851 2.349 -2.595 . . . 1.0 . . . . . . . . . . . . A . 7 TRP C . . . . . . . . . c19133_2m6h 1 . 10 . 1118 . 1 1 7 TRP CA C 7.866 1.620 -1.723 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CA . . . . . . . . . c19133_2m6h 1 . 10 . 1119 . 1 1 7 TRP CB C 9.280 1.856 -2.258 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CB . . . . . . . . . c19133_2m6h 1 . 10 . 1120 . 1 1 7 TRP CD1 C 11.250 1.590 -0.640 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD1 . . . . . . . . . c19133_2m6h 1 . 10 . 1121 . 1 1 7 TRP CD2 C 10.288 3.613 -0.596 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD2 . . . . . . . . . c19133_2m6h 1 . 10 . 1122 . 1 1 7 TRP CE2 C 11.349 3.599 0.331 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE2 . . . . . . . . . c19133_2m6h 1 . 10 . 1123 . 1 1 7 TRP CE3 C 9.538 4.783 -0.744 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE3 . . . . . . . . . c19133_2m6h 1 . 10 . 1124 . 1 1 7 TRP CG C 10.243 2.319 -1.207 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CG . . . . . . . . . c19133_2m6h 1 . 10 . 1125 . 1 1 7 TRP CH2 C 10.923 5.840 0.941 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CH2 . . . . . . . . . c19133_2m6h 1 . 10 . 1126 . 1 1 7 TRP CZ2 C 11.674 4.709 1.106 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ2 . . . . . . . . . c19133_2m6h 1 . 10 . 1127 . 1 1 7 TRP CZ3 C 9.862 5.883 0.026 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ3 . . . . . . . . . c19133_2m6h 1 . 10 . 1128 . 1 1 7 TRP H H 7.997 -0.406 -2.327 . . . 1.0 . . . . . . . . . . . . A . 7 TRP H . . . . . . . . . c19133_2m6h 1 . 10 . 1129 . 1 1 7 TRP HA H 7.803 2.006 -0.716 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HA . . . . . . . . . c19133_2m6h 1 . 10 . 1130 . 1 1 7 TRP HB2 H 9.659 0.935 -2.675 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB2 . . . . . . . . . c19133_2m6h 1 . 10 . 1131 . 1 1 7 TRP HB3 H 9.242 2.609 -3.032 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB3 . . . . . . . . . c19133_2m6h 1 . 10 . 1132 . 1 1 7 TRP HD1 H 11.474 0.565 -0.892 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HD1 . . . . . . . . . c19133_2m6h 1 . 10 . 1133 . 1 1 7 TRP HE1 H 12.681 2.055 0.825 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE1 . . . . . . . . . c19133_2m6h 1 . 10 . 1134 . 1 1 7 TRP HE3 H 8.717 4.835 -1.444 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE3 . . . . . . . . . c19133_2m6h 1 . 10 . 1135 . 1 1 7 TRP HH2 H 11.140 6.724 1.522 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HH2 . . . . . . . . . c19133_2m6h 1 . 10 . 1136 . 1 1 7 TRP HZ2 H 12.489 4.692 1.815 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ2 . . . . . . . . . c19133_2m6h 1 . 10 . 1137 . 1 1 7 TRP HZ3 H 9.294 6.796 -0.074 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ3 . . . . . . . . . c19133_2m6h 1 . 10 . 1138 . 1 1 7 TRP N N 7.577 0.191 -1.671 . . . 1.0 . . . . . . . . . . . . A . 7 TRP N . . . . . . . . . c19133_2m6h 1 . 10 . 1139 . 1 1 7 TRP NE1 N 11.918 2.354 0.286 . . . 1.0 . . . . . . . . . . . . A . 7 TRP NE1 . . . . . . . . . c19133_2m6h 1 . 10 . 1140 . 1 1 7 TRP O O 6.952 3.558 -2.805 . . . 1.0 . . . . . . . . . . . . A . 7 TRP O . . . . . . . . . c19133_2m6h 1 . 10 . 1141 . 1 1 8 CYS C C 4.212 3.411 -3.293 . . . 1.0 . . . . . . . . . . . . A . 8 CYS C . . . . . . . . . c19133_2m6h 1 . 10 . 1142 . 1 1 8 CYS CA C 4.836 2.184 -3.952 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CA . . . . . . . . . c19133_2m6h 1 . 10 . 1143 . 1 1 8 CYS CB C 3.754 1.145 -4.249 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CB . . . . . . . . . c19133_2m6h 1 . 10 . 1144 . 1 1 8 CYS H H 5.843 0.649 -2.898 . . . 1.0 . . . . . . . . . . . . A . 8 CYS H . . . . . . . . . c19133_2m6h 1 . 10 . 1145 . 1 1 8 CYS HA H 5.298 2.485 -4.879 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HA . . . . . . . . . c19133_2m6h 1 . 10 . 1146 . 1 1 8 CYS HB2 H 4.012 0.217 -3.759 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB2 . . . . . . . . . c19133_2m6h 1 . 10 . 1147 . 1 1 8 CYS HB3 H 2.810 1.499 -3.861 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB3 . . . . . . . . . c19133_2m6h 1 . 10 . 1148 . 1 1 8 CYS N N 5.871 1.608 -3.101 . . . 1.0 . . . . . . . . . . . . A . 8 CYS N . . . . . . . . . c19133_2m6h 1 . 10 . 1149 . 1 1 8 CYS O O 3.594 4.240 -3.962 . . . 1.0 . . . . . . . . . . . . A . 8 CYS O . . . . . . . . . c19133_2m6h 1 . 10 . 1150 . 1 1 8 CYS SG S 3.529 0.791 -6.021 . . . 1.0 . . . . . . . . . . . . A . 8 CYS SG . . . . . . . . . c19133_2m6h 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 c19133_2m6h _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 2m6h.mr . . 'MR format' 1 comment 'Not applicable' 'Not applicable' 0 c19133_2m6h 1 1 2m6h.mr . . DYANA/DIANA 2 distance 'hydrogen bond' simple 6 c19133_2m6h 1 1 2m6h.mr . . DYANA/DIANA 3 distance 'general distance' simple 4 c19133_2m6h 1 1 2m6h.mr . . DYANA/DIANA 4 distance NOE simple 20 c19133_2m6h 1 1 2m6h.mr . . DYANA/DIANA 5 'dihedral angle' 'Not applicable' 'Not applicable' 3 c19133_2m6h 1 1 2m6h.mr . . 'MR format' 6 'nomenclature mapping' 'Not applicable' 'Not applicable' 0 c19133_2m6h 1 stop_ save_ save_DYANA/DIANA_distance_constraints_3 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode DYANA/DIANA_distance_constraints_3 _Gen_dist_constraint_list.Entry_ID c19133_2m6h _Gen_dist_constraint_list.ID 2 _Gen_dist_constraint_list.Constraint_type 'general distance' _Gen_dist_constraint_list.Details 'Generated by Wattos' _Gen_dist_constraint_list.Constraint_file_ID 1 _Gen_dist_constraint_list.Block_ID 3 loop_ _Gen_dist_constraint_software.Software_ID _Gen_dist_constraint_software.Software_label _Gen_dist_constraint_software.Method_ID _Gen_dist_constraint_software.Method_label _Gen_dist_constraint_software.Entry_ID _Gen_dist_constraint_software.Gen_dist_constraint_list_ID . . . . c19133_2m6h 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 2 2 CYS SG S . . . 1 1 8 8 CYS SG S . . . . . . . 2.10 . . . . . A . 2 CYS SG . . A . 8 CYS SG . . . 2 CYSS SG . . . . . 8 CYSS SG . . c19133_2m6h 1 2 1 . . 1 1 2 2 CYS SG S . . . 1 1 8 8 CYS CB C . . . . . . . 3.10 . . . . . A . 2 CYS SG . . A . 8 CYS CB . . . 2 CYSS SG . . . . . 8 CYSS CB . . c19133_2m6h 1 3 1 . . 1 1 8 8 CYS SG S . . . 1 1 2 2 CYS CB C . . . . . . . 3.10 . . . . . A . 8 CYS SG . . A . 2 CYS CB . . . 8 CYSS SG . . . . . 2 CYSS CB . . c19133_2m6h 1 4 1 . . 1 1 8 8 CYS CB C . . . 1 1 2 2 CYS CB C . . . . . . . 4.25 . . . . . A . 8 CYS CB . . A . 2 CYS CB . . . 8 CYSS CB . . . . . 2 CYSS CB . . c19133_2m6h 1 stop_ save_ save_DYANA/DIANA_distance_constraints_4 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode DYANA/DIANA_distance_constraints_4 _Gen_dist_constraint_list.Entry_ID c19133_2m6h _Gen_dist_constraint_list.ID 3 _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 4 loop_ _Gen_dist_constraint_software.Software_ID _Gen_dist_constraint_software.Software_label _Gen_dist_constraint_software.Method_ID _Gen_dist_constraint_software.Method_label _Gen_dist_constraint_software.Entry_ID _Gen_dist_constraint_software.Gen_dist_constraint_list_ID . . . . c19133_2m6h 2 stop_ loop_ _Gen_dist_constraint.ID _Gen_dist_constraint.Member_ID _Gen_dist_constraint.Member_logic_code _Gen_dist_constraint.Assembly_atom_ID_1 _Gen_dist_constraint.Entity_assembly_ID_1 _Gen_dist_constraint.Entity_ID_1 _Gen_dist_constraint.Comp_index_ID_1 _Gen_dist_constraint.Seq_ID_1 _Gen_dist_constraint.Comp_ID_1 _Gen_dist_constraint.Atom_ID_1 _Gen_dist_constraint.Atom_type_1 _Gen_dist_constraint.Atom_isotope_number_1 _Gen_dist_constraint.Resonance_ID_1 _Gen_dist_constraint.Assembly_atom_ID_2 _Gen_dist_constraint.Entity_assembly_ID_2 _Gen_dist_constraint.Entity_ID_2 _Gen_dist_constraint.Comp_index_ID_2 _Gen_dist_constraint.Seq_ID_2 _Gen_dist_constraint.Comp_ID_2 _Gen_dist_constraint.Atom_ID_2 _Gen_dist_constraint.Atom_type_2 _Gen_dist_constraint.Atom_isotope_number_2 _Gen_dist_constraint.Resonance_ID_2 _Gen_dist_constraint.Intensity_val _Gen_dist_constraint.Intensity_lower_val_err _Gen_dist_constraint.Intensity_upper_val_err _Gen_dist_constraint.Distance_val _Gen_dist_constraint.Distance_lower_bound_val _Gen_dist_constraint.Distance_upper_bound_val _Gen_dist_constraint.Contribution_fractional_val _Gen_dist_constraint.Spectral_peak_ID _Gen_dist_constraint.Spectral_peak_list_ID _Gen_dist_constraint.PDB_record_ID_1 _Gen_dist_constraint.PDB_model_num_1 _Gen_dist_constraint.PDB_strand_ID_1 _Gen_dist_constraint.PDB_ins_code_1 _Gen_dist_constraint.PDB_residue_no_1 _Gen_dist_constraint.PDB_residue_name_1 _Gen_dist_constraint.PDB_atom_name_1 _Gen_dist_constraint.PDB_record_ID_2 _Gen_dist_constraint.PDB_model_num_2 _Gen_dist_constraint.PDB_strand_ID_2 _Gen_dist_constraint.PDB_ins_code_2 _Gen_dist_constraint.PDB_residue_no_2 _Gen_dist_constraint.PDB_residue_name_2 _Gen_dist_constraint.PDB_atom_name_2 _Gen_dist_constraint.Auth_entity_assembly_ID_1 _Gen_dist_constraint.Auth_asym_ID_1 _Gen_dist_constraint.Auth_chain_ID_1 _Gen_dist_constraint.Auth_seq_ID_1 _Gen_dist_constraint.Auth_comp_ID_1 _Gen_dist_constraint.Auth_atom_ID_1 _Gen_dist_constraint.Auth_alt_ID_1 _Gen_dist_constraint.Auth_atom_name_1 _Gen_dist_constraint.Auth_entity_assembly_ID_2 _Gen_dist_constraint.Auth_asym_ID_2 _Gen_dist_constraint.Auth_chain_ID_2 _Gen_dist_constraint.Auth_seq_ID_2 _Gen_dist_constraint.Auth_comp_ID_2 _Gen_dist_constraint.Auth_atom_ID_2 _Gen_dist_constraint.Auth_alt_ID_2 _Gen_dist_constraint.Auth_atom_name_2 _Gen_dist_constraint.Entry_ID _Gen_dist_constraint.Gen_dist_constraint_list_ID 1 1 OR . 1 1 2 2 CYS H H . . . 1 1 1 1 GLY HA2 H . . . . . . . 2.5 . . . . . A . 2 CYS H . . A . 1 GLY HA2 . . . 2 CYSS H . . . . . 1 GLY QA . . c19133_2m6h 2 1 2 OR . 1 1 1 1 GLY HA3 H . . . 1 1 2 2 CYS H H . . . . . . . 2.5 . . . . . A . 1 GLY HA3 . . A . 2 CYS H . . . 1 GLY QA . . . . . 2 CYSS H . . c19133_2m6h 2 2 1 . . 1 1 2 2 CYS H H . . . 1 1 2 2 CYS HA H . . . . . . . 3.5 . . . . . A . 2 CYS H . . A . 2 CYS HA . . . 2 CYSS H . . . . . 2 CYSS HA . . c19133_2m6h 2 3 1 OR . 1 1 2 2 CYS H H . . . 1 1 2 2 CYS HB2 H . . . . . . . 3.5 . . . . . A . 2 CYS H . . A . 2 CYS HB2 . . . 2 CYSS H . . . . . 2 CYSS QB . . c19133_2m6h 2 3 2 OR . 1 1 2 2 CYS H H . . . 1 1 2 2 CYS HB3 H . . . . . . . 3.5 . . . . . A . 2 CYS H . . A . 2 CYS HB3 . . . 2 CYSS H . . . . . 2 CYSS QB . . c19133_2m6h 2 4 1 OR . 1 1 2 2 CYS HA H . . . 1 1 3 3 PRO HD2 H . . . . . . . 2.5 . . . . . A . 2 CYS HA . . A . 3 PRO HD2 . . . 2 CYSS HA . . . . . 3 PRO QD . . c19133_2m6h 2 4 2 OR . 1 1 2 2 CYS HA H . . . 1 1 3 3 PRO HD3 H . . . . . . . 2.5 . . . . . A . 2 CYS HA . . A . 3 PRO HD3 . . . 2 CYSS HA . . . . . 3 PRO QD . . c19133_2m6h 2 5 1 . . 1 1 2 2 CYS H H . . . 1 1 6 6 PRO HA H . . . . . . . 3.5 . . . . . A . 2 CYS H . . A . 6 PRO HA . . . 2 CYSS H . . . . . 6 PRO HA . . c19133_2m6h 2 6 1 . . 1 1 4 4 DTR H H . . . 1 1 3 3 PRO HA H . . . . . . . 2.5 . . . . . A . 4 DTR H . . A . 3 PRO HA . . . 4 DTR H . . . . . 3 PRO HA . . c19133_2m6h 2 7 1 . . 1 1 4 4 DTR H H . . . 1 1 4 4 DTR HA H . . . . . . . 3.5 . . . . . A . 4 DTR H . . A . 4 DTR HA . . . 4 DTR H . . . . . 4 DTR HA . . c19133_2m6h 2 8 1 . . 1 1 4 4 DTR H H . . . 1 1 5 5 ASP H H . . . . . . . 5.0 . . . . . A . 4 DTR H . . A . 5 ASP H . . . 4 DTR H . . . . . 5 ASP H . . c19133_2m6h 2 9 1 . . 1 1 3 3 PRO HA H . . . 1 1 4 4 DTR HD1 H . . . . . . . 5.0 . . . . . A . 3 PRO HA . . A . 4 DTR HD1 . . . 3 PRO HA . . . . . 4 DTR HD1 . . c19133_2m6h 2 10 1 . . 1 1 4 4 DTR HA H . . . 1 1 5 5 ASP H H . . . . . . . 3.0 . . . . . A . 4 DTR HA . . A . 5 ASP H . . . 4 DTR HA . . . . . 5 ASP H . . c19133_2m6h 2 11 1 . . 1 1 5 5 ASP H H . . . 1 1 5 5 ASP HA H . . . . . . . 3.5 . . . . . A . 5 ASP H . . A . 5 ASP HA . . . 5 ASP H . . . . . 5 ASP HA . . c19133_2m6h 2 12 1 OR . 1 1 5 5 ASP HA H . . . 1 1 6 6 PRO HD2 H . . . . . . . 2.5 . . . . . A . 5 ASP HA . . A . 6 PRO HD2 . . . 5 ASP HA . . . . . 6 PRO QD . . c19133_2m6h 2 12 2 OR . 1 1 5 5 ASP HA H . . . 1 1 6 6 PRO HD3 H . . . . . . . 2.5 . . . . . A . 5 ASP HA . . A . 6 PRO HD3 . . . 5 ASP HA . . . . . 6 PRO QD . . c19133_2m6h 2 13 1 . . 1 1 6 6 PRO HA H . . . 1 1 7 7 TRP H H . . . . . . . 3.5 . . . . . A . 6 PRO HA . . A . 7 TRP H . . . 6 PRO HA . . . . . 7 TRP H . . c19133_2m6h 2 14 1 OR . 1 1 7 7 TRP H H . . . 1 1 6 6 PRO HD2 H . . . . . . . 3.5 . . . . . A . 7 TRP H . . A . 6 PRO HD2 . . . 7 TRP H . . . . . 6 PRO QD . . c19133_2m6h 2 14 2 OR . 1 1 6 6 PRO HD3 H . . . 1 1 7 7 TRP H H . . . . . . . 3.5 . . . . . A . 6 PRO HD3 . . A . 7 TRP H . . . 6 PRO QD . . . . . 7 TRP H . . c19133_2m6h 2 15 1 OR . 1 1 7 7 TRP H H . . . 1 1 6 6 PRO HG2 H . . . . . . . 5.0 . . . . . A . 7 TRP H . . A . 6 PRO HG2 . . . 7 TRP H . . . . . 6 PRO QG . . c19133_2m6h 2 15 2 OR . 1 1 7 7 TRP H H . . . 1 1 6 6 PRO HG3 H . . . . . . . 5.0 . . . . . A . 7 TRP H . . A . 6 PRO HG3 . . . 7 TRP H . . . . . 6 PRO QG . . c19133_2m6h 2 16 1 . . 1 1 7 7 TRP HE3 H . . . 1 1 7 7 TRP HA H . . . . . . . 3.5 . . . . . A . 7 TRP HE3 . . A . 7 TRP HA . . . 7 TRP HE3 . . . . . 7 TRP HA . . c19133_2m6h 2 17 1 . . 1 1 7 7 TRP HA H . . . 1 1 8 8 CYS H H . . . . . . . 5.0 . . . . . A . 7 TRP HA . . A . 8 CYS H . . . 7 TRP HA . . . . . 8 CYSS H . . c19133_2m6h 2 18 1 . . 1 1 7 7 TRP H H . . . 1 1 8 8 CYS H H . . . . . . . 2.5 . . . . . A . 7 TRP H . . A . 8 CYS H . . . 7 TRP H . . . . . 8 CYSS H . . c19133_2m6h 2 19 1 . . 1 1 8 8 CYS H H . . . 1 1 8 8 CYS HA H . . . . . . . 3.5 . . . . . A . 8 CYS H . . A . 8 CYS HA . . . 8 CYSS H . . . . . 8 CYSS HA . . c19133_2m6h 2 20 1 OR . 1 1 8 8 CYS H H . . . 1 1 8 8 CYS HB2 H . . . . . . . 3.5 . . . . . A . 8 CYS H . . A . 8 CYS HB2 . . . 8 CYSS H . . . . . 8 CYSS QB . . c19133_2m6h 2 20 2 OR . 1 1 8 8 CYS H H . . . 1 1 8 8 CYS HB3 H . . . . . . . 3.5 . . . . . A . 8 CYS H . . A . 8 CYS HB3 . . . 8 CYSS H . . . . . 8 CYSS QB . . c19133_2m6h 2 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode DYANA/DIANA_distance_constraints_2 _Gen_dist_constraint_list.Entry_ID c19133_2m6h _Gen_dist_constraint_list.ID 1 _Gen_dist_constraint_list.Constraint_type 'hydrogen bond' _Gen_dist_constraint_list.Details 'Generated by Wattos' _Gen_dist_constraint_list.Constraint_file_ID 1 _Gen_dist_constraint_list.Block_ID 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 . . . . c19133_2m6h 3 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 5 5 ASP O O . . . 1 1 2 2 CYS N N . . . . . . . 3.2 . . . . . A . 5 ASP O . . A . 2 CYS N . . . 5 ASP O . . . . . 2 CYSS N . . c19133_2m6h 3 2 1 . . 1 1 2 2 CYS H H . . . 1 1 5 5 ASP O O . . . . . . . 2.2 . . . . . A . 2 CYS H . . A . 5 ASP O . . . 2 CYSS H . . . . . 5 ASP O . . c19133_2m6h 3 3 1 . . 1 1 8 8 CYS H H . . . 1 1 5 5 ASP O O . . . . . . . 2.2 . . . . . A . 8 CYS H . . A . 5 ASP O . . . 8 CYSS H . . . . . 5 ASP O . . c19133_2m6h 3 4 1 . . 1 1 5 5 ASP O O . . . 1 1 8 8 CYS N N . . . . . . . 3.2 . . . . . A . 5 ASP O . . A . 8 CYS N . . . 5 ASP O . . . . . 8 CYSS N . . c19133_2m6h 3 5 1 . . 1 1 5 5 ASP H H . . . 1 1 2 2 CYS O O . . . . . . . 2.2 . . . . . A . 5 ASP H . . A . 2 CYS O . . . 5 ASP H . . . . . 2 CYSS O . . c19133_2m6h 3 6 1 . . 1 1 2 2 CYS O O . . . 1 1 5 5 ASP N N . . . . . . . 3.2 . . . . . A . 2 CYS O . . A . 5 ASP N . . . 2 CYSS O . . . . . 5 ASP N . . c19133_2m6h 3 stop_ save_ save_DYANA/DIANA_dihedral_5 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Sf_framecode DYANA/DIANA_dihedral_5 _Torsion_angle_constraint_list.Entry_ID c19133_2m6h _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Details 'Generated by Wattos' _Torsion_angle_constraint_list.Constraint_file_ID 1 _Torsion_angle_constraint_list.Block_ID 5 loop_ _Torsion_angle_constraint_software.Software_ID _Torsion_angle_constraint_software.Software_label _Torsion_angle_constraint_software.Method_ID _Torsion_angle_constraint_software.Method_label _Torsion_angle_constraint_software.Entry_ID _Torsion_angle_constraint_software.Torsion_angle_constraint_list_ID . . . . c19133_2m6h 1 stop_ loop_ _Torsion_angle_constraint.ID _Torsion_angle_constraint.Torsion_angle_name _Torsion_angle_constraint.Assembly_atom_ID_1 _Torsion_angle_constraint.Entity_assembly_ID_1 _Torsion_angle_constraint.Entity_ID_1 _Torsion_angle_constraint.Comp_index_ID_1 _Torsion_angle_constraint.Seq_ID_1 _Torsion_angle_constraint.Comp_ID_1 _Torsion_angle_constraint.Atom_ID_1 _Torsion_angle_constraint.Atom_type_1 _Torsion_angle_constraint.Resonance_ID_1 _Torsion_angle_constraint.Assembly_atom_ID_2 _Torsion_angle_constraint.Entity_assembly_ID_2 _Torsion_angle_constraint.Entity_ID_2 _Torsion_angle_constraint.Comp_index_ID_2 _Torsion_angle_constraint.Seq_ID_2 _Torsion_angle_constraint.Comp_ID_2 _Torsion_angle_constraint.Atom_ID_2 _Torsion_angle_constraint.Atom_type_2 _Torsion_angle_constraint.Resonance_ID_2 _Torsion_angle_constraint.Assembly_atom_ID_3 _Torsion_angle_constraint.Entity_assembly_ID_3 _Torsion_angle_constraint.Entity_ID_3 _Torsion_angle_constraint.Comp_index_ID_3 _Torsion_angle_constraint.Seq_ID_3 _Torsion_angle_constraint.Comp_ID_3 _Torsion_angle_constraint.Atom_ID_3 _Torsion_angle_constraint.Atom_type_3 _Torsion_angle_constraint.Resonance_ID_3 _Torsion_angle_constraint.Assembly_atom_ID_4 _Torsion_angle_constraint.Entity_assembly_ID_4 _Torsion_angle_constraint.Entity_ID_4 _Torsion_angle_constraint.Comp_index_ID_4 _Torsion_angle_constraint.Seq_ID_4 _Torsion_angle_constraint.Comp_ID_4 _Torsion_angle_constraint.Atom_ID_4 _Torsion_angle_constraint.Atom_type_4 _Torsion_angle_constraint.Resonance_ID_4 _Torsion_angle_constraint.Angle_lower_bound_val _Torsion_angle_constraint.Angle_upper_bound_val _Torsion_angle_constraint.Source_experiment_ID _Torsion_angle_constraint.PDB_record_ID_1 _Torsion_angle_constraint.PDB_model_num_1 _Torsion_angle_constraint.PDB_strand_ID_1 _Torsion_angle_constraint.PDB_ins_code_1 _Torsion_angle_constraint.PDB_residue_no_1 _Torsion_angle_constraint.PDB_residue_name_1 _Torsion_angle_constraint.PDB_atom_name_1 _Torsion_angle_constraint.PDB_record_ID_2 _Torsion_angle_constraint.PDB_model_num_2 _Torsion_angle_constraint.PDB_strand_ID_2 _Torsion_angle_constraint.PDB_ins_code_2 _Torsion_angle_constraint.PDB_residue_no_2 _Torsion_angle_constraint.PDB_residue_name_2 _Torsion_angle_constraint.PDB_atom_name_2 _Torsion_angle_constraint.PDB_record_ID_3 _Torsion_angle_constraint.PDB_model_num_3 _Torsion_angle_constraint.PDB_strand_ID_3 _Torsion_angle_constraint.PDB_ins_code_3 _Torsion_angle_constraint.PDB_residue_no_3 _Torsion_angle_constraint.PDB_residue_name_3 _Torsion_angle_constraint.PDB_atom_name_3 _Torsion_angle_constraint.PDB_record_ID_4 _Torsion_angle_constraint.PDB_model_num_4 _Torsion_angle_constraint.PDB_strand_ID_4 _Torsion_angle_constraint.PDB_ins_code_4 _Torsion_angle_constraint.PDB_residue_no_4 _Torsion_angle_constraint.PDB_residue_name_4 _Torsion_angle_constraint.PDB_atom_name_4 _Torsion_angle_constraint.Auth_entity_assembly_ID_1 _Torsion_angle_constraint.Auth_asym_ID_1 _Torsion_angle_constraint.Auth_chain_ID_1 _Torsion_angle_constraint.Auth_seq_ID_1 _Torsion_angle_constraint.Auth_comp_ID_1 _Torsion_angle_constraint.Auth_atom_ID_1 _Torsion_angle_constraint.Auth_alt_ID_1 _Torsion_angle_constraint.Auth_atom_name_1 _Torsion_angle_constraint.Auth_entity_assembly_ID_2 _Torsion_angle_constraint.Auth_asym_ID_2 _Torsion_angle_constraint.Auth_chain_ID_2 _Torsion_angle_constraint.Auth_seq_ID_2 _Torsion_angle_constraint.Auth_comp_ID_2 _Torsion_angle_constraint.Auth_atom_ID_2 _Torsion_angle_constraint.Auth_alt_ID_2 _Torsion_angle_constraint.Auth_atom_name_2 _Torsion_angle_constraint.Auth_entity_assembly_ID_3 _Torsion_angle_constraint.Auth_asym_ID_3 _Torsion_angle_constraint.Auth_chain_ID_3 _Torsion_angle_constraint.Auth_seq_ID_3 _Torsion_angle_constraint.Auth_comp_ID_3 _Torsion_angle_constraint.Auth_atom_ID_3 _Torsion_angle_constraint.Auth_alt_ID_3 _Torsion_angle_constraint.Auth_atom_name_3 _Torsion_angle_constraint.Auth_entity_assembly_ID_4 _Torsion_angle_constraint.Auth_asym_ID_4 _Torsion_angle_constraint.Auth_chain_ID_4 _Torsion_angle_constraint.Auth_seq_ID_4 _Torsion_angle_constraint.Auth_comp_ID_4 _Torsion_angle_constraint.Auth_atom_ID_4 _Torsion_angle_constraint.Auth_alt_ID_4 _Torsion_angle_constraint.Auth_atom_name_4 _Torsion_angle_constraint.Entry_ID _Torsion_angle_constraint.Torsion_angle_constraint_list_ID 1 PHI . 1 1 1 1 GLY C C . . 1 1 2 2 CYS N N . . 1 1 2 2 CYS CA C . . 1 1 2 2 CYS C C . -140.0 -90.0 . . . A . 1 GLY C . . A . 2 CYS N . . A . 2 CYS CA . . A . 2 CYS C . . . 2 CYSS . . . . . . 2 CYSS . . . . . . 2 CYSS . . . . . . 2 CYSS . . . c19133_2m6h 1 2 PHI . 1 1 4 4 DTR C C . . 1 1 5 5 ASP N N . . 1 1 5 5 ASP CA C . . 1 1 5 5 ASP C C . -140.0 -90.0 . . . A . 4 DTR C . . A . 5 ASP N . . A . 5 ASP CA . . A . 5 ASP C . . . 5 ASP . . . . . . 5 ASP . . . . . . 5 ASP . . . . . . 5 ASP . . . c19133_2m6h 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 c19133_2m6h _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 TOXIN 29-MAR-13 2M6H *TITLE SOLUTION STRUCTURE OF TRANS(C2-P3) TRANS (D5-P6) OF LO959 IN METHANOL *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: CONTRYPHAN-LO; *COMPND 3 CHAIN: A; *COMPND 4 SYNONYM: LO959; *COMPND 5 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 ORGANISM_SCIENTIFIC: CONUS LOROISII; *SOURCE 4 ORGANISM_COMMON: CONE SNAIL; *SOURCE 5 ORGANISM_TAXID: 410709 *KEYWDS LO959, METHANOL, TOXIN *EXPDTA SOLUTION NMR *NUMMDL 10 *AUTHOR R.SONTI *REVDAT 1 30-OCT-13 2M6H 0' save_