data_c19501_2mdq ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID c19501_2mdq _Entry.Title ; A novel 4/7-conotoxin LvIA from Conus lividus that selectively blocks 32 vs. 6/323 nicotinic acetylcholine receptors ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-09-16 _Entry.Accession_date 2013-09-16 _Entry.Last_release_date 2014-02-10 _Entry.Original_release_date 2014-02-10 _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 SOLUTION _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 Christina Schroeder . I. . c19501_2mdq 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' . c19501_2mdq stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID conotoxin . c19501_2mdq 'disulfide rich' . c19501_2mdq stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 c19501_2mdq stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 40 c19501_2mdq '1H chemical shifts' 83 c19501_2mdq 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 . . 2014-02-10 2013-09-16 original author . c19501_2mdq stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID c19501_2mdq _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24398291 _Citation.Full_citation . _Citation.Title 'A novel 4/7-conotoxin LvIA from Conus lividus that selectively blocks 32 vs. 6/323 nicotinic acetylcholine receptors.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'FASEB J.' _Citation.Journal_name_full 'FASEB journal : official publication of the Federation of American Societies for Experimental Biology' _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year 2014 _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 Sulan Luo . . . c19501_2mdq 1 2 Dongting Zhangsun . . . c19501_2mdq 1 3 Christina Schroeder . I. . c19501_2mdq 1 4 Xiaopeng Zhu . . . c19501_2mdq 1 5 Yuanyan Hu . . . c19501_2mdq 1 6 Yong Wu . . . c19501_2mdq 1 7 Maegan Weltzin . M. . c19501_2mdq 1 8 Spencer Eberhard . . . c19501_2mdq 1 9 Quentin Kaas . . . c19501_2mdq 1 10 David Craik . J. . c19501_2mdq 1 11 'J. Michael' McIntosh . . . c19501_2mdq 1 12 Paul Whiteaker . . . c19501_2mdq 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID c19501_2mdq _Assembly.ID 1 _Assembly.Name 'Novel 4/7-Conotoxin LvIA' _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 'Novel 4/7-Conotoxin LvIA' 1 $entity A . yes native no no . . . c19501_2mdq 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 2 2 SG . 1 . 1 CYS 8 8 SG . . . . . . . . . . c19501_2mdq 1 2 disulfide single . 1 . 1 CYS 3 3 SG . 1 . 1 CYS 16 16 SG . . . . . . . . . . c19501_2mdq 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID c19501_2mdq _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _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 GCCSHPACNVDHPEIC _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 16 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 1686.907 _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 . GLY . c19501_2mdq 1 2 . CYS . c19501_2mdq 1 3 . CYS . c19501_2mdq 1 4 . SER . c19501_2mdq 1 5 . HIS . c19501_2mdq 1 6 . PRO . c19501_2mdq 1 7 . ALA . c19501_2mdq 1 8 . CYS . c19501_2mdq 1 9 . ASN . c19501_2mdq 1 10 . VAL . c19501_2mdq 1 11 . ASP . c19501_2mdq 1 12 . HIS . c19501_2mdq 1 13 . PRO . c19501_2mdq 1 14 . GLU . c19501_2mdq 1 15 . ILE . c19501_2mdq 1 16 . CYS . c19501_2mdq 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 c19501_2mdq 1 . CYS 2 2 c19501_2mdq 1 . CYS 3 3 c19501_2mdq 1 . SER 4 4 c19501_2mdq 1 . HIS 5 5 c19501_2mdq 1 . PRO 6 6 c19501_2mdq 1 . ALA 7 7 c19501_2mdq 1 . CYS 8 8 c19501_2mdq 1 . ASN 9 9 c19501_2mdq 1 . VAL 10 10 c19501_2mdq 1 . ASP 11 11 c19501_2mdq 1 . HIS 12 12 c19501_2mdq 1 . PRO 13 13 c19501_2mdq 1 . GLU 14 14 c19501_2mdq 1 . ILE 15 15 c19501_2mdq 1 . CYS 16 16 c19501_2mdq 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 c19501_2mdq _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 $entity . . 'not applicable' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . c19501_2mdq 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 c19501_2mdq _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 $entity . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . c19501_2mdq 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID c19501_2mdq _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Novel 4/7-Conotoxin LvIA' 'natural abundance' . . 1 $entity . . 1.5 . . mM . . . . c19501_2mdq 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . c19501_2mdq 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . c19501_2mdq 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID c19501_2mdq _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Novel 4/7-Conotoxin LvIA' 'natural abundance' . . 1 $entity . . 1.5 . . mM . . . . c19501_2mdq 2 2 D2O 'natural abundance' . . . . . . 100 . . % . . . . c19501_2mdq 2 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 c19501_2mdq _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 pH 4 . pH c19501_2mdq 1 pressure 1 . atm c19501_2mdq 1 temperature 297.5 17.5 K c19501_2mdq 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID c19501_2mdq _Sample_condition_list.ID 2 _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 pH 4 . pH c19501_2mdq 2 temperature 298 . K c19501_2mdq 2 stop_ save_ ############################ # Computer software used # ############################ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID c19501_2mdq _Software.ID 1 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . c19501_2mdq 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' c19501_2mdq 1 'chemical shift calculation' c19501_2mdq 1 'peak picking' c19501_2mdq 1 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID c19501_2mdq _Software.ID 2 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . c19501_2mdq 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement c19501_2mdq 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID c19501_2mdq _Software.ID 3 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . c19501_2mdq 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' c19501_2mdq 3 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID c19501_2mdq _Software.ID 4 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . c19501_2mdq 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing c19501_2mdq 4 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 c19501_2mdq _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 c19501_2mdq _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 . 600 . . . c19501_2mdq 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 c19501_2mdq _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-13C HSQC' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . c19501_2mdq 1 2 '2D 1H-1H TOCSY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . c19501_2mdq 1 3 '2D 1H-1H TOCSY' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . c19501_2mdq 1 4 '2D DQF-COSY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . c19501_2mdq 1 5 '2D 1H-1H NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . c19501_2mdq 1 6 '2D 1H-1H NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . c19501_2mdq 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID c19501_2mdq _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . 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 c19501_2mdq _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 C 13 DSS 'methyl protons' . . . . ppm 0 internal direct . . . . . . . . . . c19501_2mdq 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1.0 . . . . . . . . . c19501_2mdq 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 c19501_2mdq _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-13C HSQC' 1 $sample_1 . c19501_2mdq 1 5 '2D 1H-1H NOESY' 1 $sample_1 . c19501_2mdq 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 HA2 H 1 3.879 0.000 . 1 . . . A 1 GLY HA2 . c19501_2mdq 1 2 . 1 1 1 1 GLY HA3 H 1 3.958 0.000 . 1 . . . A 1 GLY HA3 . c19501_2mdq 1 3 . 1 1 1 1 GLY CA C 13 43.110 0.069 . 1 . . . A 1 GLY CA . c19501_2mdq 1 4 . 1 1 2 2 CYS H H 1 8.909 0.000 . 1 . . . A 2 CYS H . c19501_2mdq 1 5 . 1 1 2 2 CYS HA H 1 4.656 0.000 . 1 . . . A 2 CYS HA . c19501_2mdq 1 6 . 1 1 2 2 CYS HB2 H 1 3.293 0.000 . 1 . . . A 2 CYS HB2 . c19501_2mdq 1 7 . 1 1 2 2 CYS HB3 H 1 2.763 0.000 . 1 . . . A 2 CYS HB3 . c19501_2mdq 1 8 . 1 1 2 2 CYS CA C 13 57.748 0.000 . 1 . . . A 2 CYS CA . c19501_2mdq 1 9 . 1 1 2 2 CYS CB C 13 41.793 0.009 . 1 . . . A 2 CYS CB . c19501_2mdq 1 10 . 1 1 3 3 CYS H H 1 8.704 0.000 . 1 . . . A 3 CYS H . c19501_2mdq 1 11 . 1 1 3 3 CYS HA H 1 4.482 0.000 . 1 . . . A 3 CYS HA . c19501_2mdq 1 12 . 1 1 3 3 CYS HB2 H 1 3.345 0.000 . 1 . . . A 3 CYS HB2 . c19501_2mdq 1 13 . 1 1 3 3 CYS HB3 H 1 2.821 0.000 . 1 . . . A 3 CYS HB3 . c19501_2mdq 1 14 . 1 1 3 3 CYS CA C 13 55.749 0.000 . 1 . . . A 3 CYS CA . c19501_2mdq 1 15 . 1 1 3 3 CYS CB C 13 36.486 0.000 . 1 . . . A 3 CYS CB . c19501_2mdq 1 16 . 1 1 4 4 SER H H 1 7.916 0.000 . 1 . . . A 4 SER H . c19501_2mdq 1 17 . 1 1 4 4 SER HA H 1 4.375 0.000 . 1 . . . A 4 SER HA . c19501_2mdq 1 18 . 1 1 4 4 SER HB2 H 1 3.830 0.000 . 1 . . . A 4 SER HB2 . c19501_2mdq 1 19 . 1 1 4 4 SER HB3 H 1 3.830 0.000 . 1 . . . A 4 SER HB3 . c19501_2mdq 1 20 . 1 1 4 4 SER CA C 13 58.952 0.000 . 1 . . . A 4 SER CA . c19501_2mdq 1 21 . 1 1 4 4 SER CB C 13 62.726 0.000 . 1 . . . A 4 SER CB . c19501_2mdq 1 22 . 1 1 5 5 HIS H H 1 8.131 0.000 . 1 . . . A 5 HIS H . c19501_2mdq 1 23 . 1 1 5 5 HIS HA H 1 5.222 0.000 . 1 . . . A 5 HIS HA . c19501_2mdq 1 24 . 1 1 5 5 HIS HB2 H 1 3.376 0.000 . 1 . . . A 5 HIS HB2 . c19501_2mdq 1 25 . 1 1 5 5 HIS HB3 H 1 3.376 0.000 . 1 . . . A 5 HIS HB3 . c19501_2mdq 1 26 . 1 1 5 5 HIS CA C 13 52.322 0.000 . 1 . . . A 5 HIS CA . c19501_2mdq 1 27 . 1 1 5 5 HIS CB C 13 29.081 0.000 . 1 . . . A 5 HIS CB . c19501_2mdq 1 28 . 1 1 6 6 PRO HA H 1 4.295 0.000 . 1 . . . A 6 PRO HA . c19501_2mdq 1 29 . 1 1 6 6 PRO HB2 H 1 2.422 0.000 . 1 . . . A 6 PRO HB2 . c19501_2mdq 1 30 . 1 1 6 6 PRO HB3 H 1 2.422 0.000 . 1 . . . A 6 PRO HB3 . c19501_2mdq 1 31 . 1 1 6 6 PRO HG2 H 1 2.199 0.000 . 1 . . . A 6 PRO HG2 . c19501_2mdq 1 32 . 1 1 6 6 PRO HG3 H 1 2.026 0.000 . 1 . . . A 6 PRO HG3 . c19501_2mdq 1 33 . 1 1 6 6 PRO HD2 H 1 4.047 0.000 . 1 . . . A 6 PRO HD2 . c19501_2mdq 1 34 . 1 1 6 6 PRO HD3 H 1 3.945 0.000 . 1 . . . A 6 PRO HD3 . c19501_2mdq 1 35 . 1 1 6 6 PRO CA C 13 66.072 0.000 . 1 . . . A 6 PRO CA . c19501_2mdq 1 36 . 1 1 6 6 PRO CB C 13 32.134 0.000 . 1 . . . A 6 PRO CB . c19501_2mdq 1 37 . 1 1 6 6 PRO CG C 13 27.289 0.023 . 1 . . . A 6 PRO CG . c19501_2mdq 1 38 . 1 1 6 6 PRO CD C 13 51.016 0.000 . 1 . . . A 6 PRO CD . c19501_2mdq 1 39 . 1 1 7 7 ALA H H 1 8.460 0.000 . 1 . . . A 7 ALA H . c19501_2mdq 1 40 . 1 1 7 7 ALA HA H 1 4.183 0.000 . 1 . . . A 7 ALA HA . c19501_2mdq 1 41 . 1 1 7 7 ALA HB1 H 1 1.389 0.000 . 1 . . . A 7 ALA HB1 . c19501_2mdq 1 42 . 1 1 7 7 ALA HB2 H 1 1.389 0.000 . 1 . . . A 7 ALA HB2 . c19501_2mdq 1 43 . 1 1 7 7 ALA HB3 H 1 1.389 0.000 . 1 . . . A 7 ALA HB3 . c19501_2mdq 1 44 . 1 1 7 7 ALA CA C 13 54.158 0.000 . 1 . . . A 7 ALA CA . c19501_2mdq 1 45 . 1 1 7 7 ALA CB C 13 18.250 0.000 . 1 . . . A 7 ALA CB . c19501_2mdq 1 46 . 1 1 8 8 CYS H H 1 7.571 0.000 . 1 . . . A 8 CYS H . c19501_2mdq 1 47 . 1 1 8 8 CYS HA H 1 4.600 0.000 . 1 . . . A 8 CYS HA . c19501_2mdq 1 48 . 1 1 8 8 CYS HB2 H 1 3.293 0.000 . 1 . . . A 8 CYS HB2 . c19501_2mdq 1 49 . 1 1 8 8 CYS HB3 H 1 3.293 0.000 . 1 . . . A 8 CYS HB3 . c19501_2mdq 1 50 . 1 1 8 8 CYS CA C 13 55.872 0.000 . 1 . . . A 8 CYS CA . c19501_2mdq 1 51 . 1 1 8 8 CYS CB C 13 41.086 0.000 . 1 . . . A 8 CYS CB . c19501_2mdq 1 52 . 1 1 9 9 ASN H H 1 8.578 0.000 . 1 . . . A 9 ASN H . c19501_2mdq 1 53 . 1 1 9 9 ASN HA H 1 4.605 0.000 . 1 . . . A 9 ASN HA . c19501_2mdq 1 54 . 1 1 9 9 ASN HB2 H 1 2.991 0.000 . 1 . . . A 9 ASN HB2 . c19501_2mdq 1 55 . 1 1 9 9 ASN HB3 H 1 2.803 0.000 . 1 . . . A 9 ASN HB3 . c19501_2mdq 1 56 . 1 1 9 9 ASN CA C 13 53.627 0.000 . 1 . . . A 9 ASN CA . c19501_2mdq 1 57 . 1 1 9 9 ASN CB C 13 39.242 0.002 . 1 . . . A 9 ASN CB . c19501_2mdq 1 58 . 1 1 10 10 VAL H H 1 7.945 0.000 . 1 . . . A 10 VAL H . c19501_2mdq 1 59 . 1 1 10 10 VAL HA H 1 3.905 0.000 . 1 . . . A 10 VAL HA . c19501_2mdq 1 60 . 1 1 10 10 VAL HB H 1 2.163 0.000 . 1 . . . A 10 VAL HB . c19501_2mdq 1 61 . 1 1 10 10 VAL HG11 H 1 1.016 0.000 . 1 . . . A 10 VAL HG11 . c19501_2mdq 1 62 . 1 1 10 10 VAL HG12 H 1 1.016 0.000 . 1 . . . A 10 VAL HG12 . c19501_2mdq 1 63 . 1 1 10 10 VAL HG13 H 1 1.016 0.000 . 1 . . . A 10 VAL HG13 . c19501_2mdq 1 64 . 1 1 10 10 VAL HG21 H 1 1.016 0.000 . 1 . . . A 10 VAL HG21 . c19501_2mdq 1 65 . 1 1 10 10 VAL HG22 H 1 1.016 0.000 . 1 . . . A 10 VAL HG22 . c19501_2mdq 1 66 . 1 1 10 10 VAL HG23 H 1 1.016 0.000 . 1 . . . A 10 VAL HG23 . c19501_2mdq 1 67 . 1 1 10 10 VAL CA C 13 64.195 0.000 . 1 . . . A 10 VAL CA . c19501_2mdq 1 68 . 1 1 10 10 VAL CB C 13 31.926 0.000 . 1 . . . A 10 VAL CB . c19501_2mdq 1 69 . 1 1 10 10 VAL CG2 C 13 20.910 0.000 . 1 . . . A 10 VAL CG2 . c19501_2mdq 1 70 . 1 1 11 11 ASP H H 1 7.565 0.000 . 1 . . . A 11 ASP H . c19501_2mdq 1 71 . 1 1 11 11 ASP HA H 1 4.707 0.000 . 1 . . . A 11 ASP HA . c19501_2mdq 1 72 . 1 1 11 11 ASP HB2 H 1 2.830 0.000 . 1 . . . A 11 ASP HB2 . c19501_2mdq 1 73 . 1 1 11 11 ASP HB3 H 1 2.738 0.000 . 1 . . . A 11 ASP HB3 . c19501_2mdq 1 74 . 1 1 11 11 ASP CA C 13 52.954 0.000 . 1 . . . A 11 ASP CA . c19501_2mdq 1 75 . 1 1 11 11 ASP CB C 13 38.561 0.012 . 1 . . . A 11 ASP CB . c19501_2mdq 1 76 . 1 1 12 12 HIS H H 1 7.908 0.000 . 1 . . . A 12 HIS H . c19501_2mdq 1 77 . 1 1 12 12 HIS HA H 1 5.195 0.000 . 1 . . . A 12 HIS HA . c19501_2mdq 1 78 . 1 1 12 12 HIS HB2 H 1 3.264 0.000 . 1 . . . A 12 HIS HB2 . c19501_2mdq 1 79 . 1 1 12 12 HIS HB3 H 1 3.073 0.000 . 1 . . . A 12 HIS HB3 . c19501_2mdq 1 80 . 1 1 12 12 HIS CA C 13 54.239 0.000 . 1 . . . A 12 HIS CA . c19501_2mdq 1 81 . 1 1 12 12 HIS CB C 13 28.650 0.000 . 1 . . . A 12 HIS CB . c19501_2mdq 1 82 . 1 1 13 13 PRO HA H 1 4.513 0.000 . 1 . . . A 13 PRO HA . c19501_2mdq 1 83 . 1 1 13 13 PRO HB2 H 1 2.004 0.000 . 1 . . . A 13 PRO HB2 . c19501_2mdq 1 84 . 1 1 13 13 PRO HB3 H 1 2.348 0.000 . 1 . . . A 13 PRO HB3 . c19501_2mdq 1 85 . 1 1 13 13 PRO HG2 H 1 2.080 0.000 . 1 . . . A 13 PRO HG2 . c19501_2mdq 1 86 . 1 1 13 13 PRO HG3 H 1 2.080 0.000 . 1 . . . A 13 PRO HG3 . c19501_2mdq 1 87 . 1 1 13 13 PRO HD2 H 1 3.615 0.000 . 1 . . . A 13 PRO HD2 . c19501_2mdq 1 88 . 1 1 13 13 PRO HD3 H 1 3.500 0.000 . 1 . . . A 13 PRO HD3 . c19501_2mdq 1 89 . 1 1 13 13 PRO CA C 13 64.665 0.000 . 1 . . . A 13 PRO CA . c19501_2mdq 1 90 . 1 1 13 13 PRO CB C 13 31.442 0.092 . 1 . . . A 13 PRO CB . c19501_2mdq 1 91 . 1 1 13 13 PRO CG C 13 27.294 0.000 . 1 . . . A 13 PRO CG . c19501_2mdq 1 92 . 1 1 13 13 PRO CD C 13 50.280 0.034 . 1 . . . A 13 PRO CD . c19501_2mdq 1 93 . 1 1 14 14 GLU H H 1 9.151 0.000 . 1 . . . A 14 GLU H . c19501_2mdq 1 94 . 1 1 14 14 GLU HA H 1 4.343 0.000 . 1 . . . A 14 GLU HA . c19501_2mdq 1 95 . 1 1 14 14 GLU HB2 H 1 2.152 0.000 . 1 . . . A 14 GLU HB2 . c19501_2mdq 1 96 . 1 1 14 14 GLU HB3 H 1 2.080 0.000 . 1 . . . A 14 GLU HB3 . c19501_2mdq 1 97 . 1 1 14 14 GLU HG2 H 1 2.573 0.000 . 1 . . . A 14 GLU HG2 . c19501_2mdq 1 98 . 1 1 14 14 GLU HG3 H 1 2.432 0.000 . 1 . . . A 14 GLU HG3 . c19501_2mdq 1 99 . 1 1 14 14 GLU CA C 13 57.340 0.000 . 1 . . . A 14 GLU CA . c19501_2mdq 1 100 . 1 1 14 14 GLU CB C 13 27.903 0.011 . 1 . . . A 14 GLU CB . c19501_2mdq 1 101 . 1 1 14 14 GLU CG C 13 33.816 0.003 . 1 . . . A 14 GLU CG . c19501_2mdq 1 102 . 1 1 15 15 ILE H H 1 7.596 0.000 . 1 . . . A 15 ILE H . c19501_2mdq 1 103 . 1 1 15 15 ILE HA H 1 4.301 0.000 . 1 . . . A 15 ILE HA . c19501_2mdq 1 104 . 1 1 15 15 ILE HB H 1 1.955 0.000 . 1 . . . A 15 ILE HB . c19501_2mdq 1 105 . 1 1 15 15 ILE HG12 H 1 1.661 0.000 . 1 . . . A 15 ILE HG12 . c19501_2mdq 1 106 . 1 1 15 15 ILE HG13 H 1 1.192 0.000 . 1 . . . A 15 ILE HG13 . c19501_2mdq 1 107 . 1 1 15 15 ILE HG21 H 1 0.927 0.000 . 1 . . . A 15 ILE HG21 . c19501_2mdq 1 108 . 1 1 15 15 ILE HG22 H 1 0.927 0.000 . 1 . . . A 15 ILE HG22 . c19501_2mdq 1 109 . 1 1 15 15 ILE HG23 H 1 0.927 0.000 . 1 . . . A 15 ILE HG23 . c19501_2mdq 1 110 . 1 1 15 15 ILE HD11 H 1 0.811 0.000 . 1 . . . A 15 ILE HD11 . c19501_2mdq 1 111 . 1 1 15 15 ILE HD12 H 1 0.811 0.000 . 1 . . . A 15 ILE HD12 . c19501_2mdq 1 112 . 1 1 15 15 ILE HD13 H 1 0.811 0.000 . 1 . . . A 15 ILE HD13 . c19501_2mdq 1 113 . 1 1 15 15 ILE CA C 13 61.870 0.000 . 1 . . . A 15 ILE CA . c19501_2mdq 1 114 . 1 1 15 15 ILE CB C 13 39.198 0.000 . 1 . . . A 15 ILE CB . c19501_2mdq 1 115 . 1 1 15 15 ILE CG1 C 13 27.394 0.000 . 1 . . . A 15 ILE CG1 . c19501_2mdq 1 116 . 1 1 15 15 ILE CG2 C 13 17.667 0.000 . 1 . . . A 15 ILE CG2 . c19501_2mdq 1 117 . 1 1 15 15 ILE CD1 C 13 12.534 0.000 . 1 . . . A 15 ILE CD1 . c19501_2mdq 1 118 . 1 1 16 16 CYS H H 1 8.207 0.000 . 1 . . . A 16 CYS H . c19501_2mdq 1 119 . 1 1 16 16 CYS HA H 1 4.872 0.000 . 1 . . . A 16 CYS HA . c19501_2mdq 1 120 . 1 1 16 16 CYS HB2 H 1 2.757 0.000 . 1 . . . A 16 CYS HB2 . c19501_2mdq 1 121 . 1 1 16 16 CYS HB3 H 1 3.300 0.000 . 1 . . . A 16 CYS HB3 . c19501_2mdq 1 122 . 1 1 16 16 CYS CA C 13 53.566 0.000 . 1 . . . A 16 CYS CA . c19501_2mdq 1 123 . 1 1 16 16 CYS CB C 13 38.612 0.040 . 1 . . . A 16 CYS CB . c19501_2mdq 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 c19501_2mdq _Conformer_stat_list.ID 1 _Conformer_stat_list.Conf_family_coord_set_ID 1 _Conformer_stat_list.Conf_family_coord_set_label $Original_constraints_and_structures _Conformer_stat_list.Conformer_submitted_total_num 20 save_ ##################################### # Conformer family coordinate set # ##################################### save_ensemble_of_conformers _Conformer_family_coord_set.Sf_category conformer_family_coord_set _Conformer_family_coord_set.Sf_framecode ensemble_of_conformers _Conformer_family_coord_set.Entry_ID c19501_2mdq _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 . . . c19501_2mdq 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 . . . . c19501_2mdq 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 -3.915 4.017 -3.183 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c19501_2mdq 1 . 1 . 2 . 1 1 1 GLY CA C -4.165 5.298 -3.922 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c19501_2mdq 1 . 1 . 3 . 1 1 1 GLY H1 H -5.519 6.076 -5.269 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c19501_2mdq 1 . 1 . 4 . 1 1 1 GLY H2 H -6.199 5.123 -4.060 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H2 . . . . . . . . . c19501_2mdq 1 . 1 . 5 . 1 1 1 GLY H3 H -5.360 4.387 -5.339 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H3 . . . . . . . . . c19501_2mdq 1 . 1 . 6 . 1 1 1 GLY HA2 H -3.332 5.487 -4.581 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c19501_2mdq 1 . 1 . 7 . 1 1 1 GLY HA3 H -4.255 6.109 -3.216 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c19501_2mdq 1 . 1 . 8 . 1 1 1 GLY N N -5.391 5.212 -4.709 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c19501_2mdq 1 . 1 . 9 . 1 1 1 GLY O O -4.729 3.599 -2.348 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c19501_2mdq 1 . 1 . 10 . 1 1 2 CYS C C -2.294 2.069 -1.426 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . c19501_2mdq 1 . 1 . 11 . 1 1 2 CYS CA C -2.442 2.118 -2.916 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . c19501_2mdq 1 . 1 . 12 . 1 1 2 CYS CB C -1.259 1.558 -3.600 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . c19501_2mdq 1 . 1 . 13 . 1 1 2 CYS H H -2.133 3.789 -4.081 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . c19501_2mdq 1 . 1 . 14 . 1 1 2 CYS HA H -3.268 1.487 -3.174 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . c19501_2mdq 1 . 1 . 15 . 1 1 2 CYS HB2 H -0.650 2.423 -3.785 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . c19501_2mdq 1 . 1 . 16 . 1 1 2 CYS HB3 H -0.756 0.880 -2.936 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . c19501_2mdq 1 . 1 . 17 . 1 1 2 CYS N N -2.786 3.396 -3.462 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . c19501_2mdq 1 . 1 . 18 . 1 1 2 CYS O O -2.426 1.022 -0.834 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . c19501_2mdq 1 . 1 . 19 . 1 1 2 CYS SG S -1.634 0.771 -5.198 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . c19501_2mdq 1 . 1 . 20 . 1 1 3 CYS C C -3.301 3.011 1.274 . . . 1.0 . . . . . . . . . . . . A . 3 CYS C . . . . . . . . . c19501_2mdq 1 . 1 . 21 . 1 1 3 CYS CA C -1.955 3.215 0.606 . . . 1.0 . . . . . . . . . . . . A . 3 CYS CA . . . . . . . . . c19501_2mdq 1 . 1 . 22 . 1 1 3 CYS CB C -1.268 4.461 1.087 . . . 1.0 . . . . . . . . . . . . A . 3 CYS CB . . . . . . . . . c19501_2mdq 1 . 1 . 23 . 1 1 3 CYS H H -1.906 3.986 -1.347 . . . 1.0 . . . . . . . . . . . . A . 3 CYS H . . . . . . . . . c19501_2mdq 1 . 1 . 24 . 1 1 3 CYS HA H -1.358 2.362 0.870 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HA . . . . . . . . . c19501_2mdq 1 . 1 . 25 . 1 1 3 CYS HB2 H -1.623 5.286 0.485 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HB2 . . . . . . . . . c19501_2mdq 1 . 1 . 26 . 1 1 3 CYS HB3 H -1.587 4.611 2.099 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HB3 . . . . . . . . . c19501_2mdq 1 . 1 . 27 . 1 1 3 CYS N N -2.048 3.173 -0.821 . . . 1.0 . . . . . . . . . . . . A . 3 CYS N . . . . . . . . . c19501_2mdq 1 . 1 . 28 . 1 1 3 CYS O O -3.400 2.345 2.300 . . . 1.0 . . . . . . . . . . . . A . 3 CYS O . . . . . . . . . c19501_2mdq 1 . 1 . 29 . 1 1 3 CYS SG S 0.560 4.434 0.979 . . . 1.0 . . . . . . . . . . . . A . 3 CYS SG . . . . . . . . . c19501_2mdq 1 . 1 . 30 . 1 1 4 SER C C -6.239 1.969 0.761 . . . 1.0 . . . . . . . . . . . . A . 4 SER C . . . . . . . . . c19501_2mdq 1 . 1 . 31 . 1 1 4 SER CA C -5.693 3.365 1.138 . . . 1.0 . . . . . . . . . . . . A . 4 SER CA . . . . . . . . . c19501_2mdq 1 . 1 . 32 . 1 1 4 SER CB C -6.572 4.460 0.543 . . . 1.0 . . . . . . . . . . . . A . 4 SER CB . . . . . . . . . c19501_2mdq 1 . 1 . 33 . 1 1 4 SER H H -4.115 4.042 -0.148 . . . 1.0 . . . . . . . . . . . . A . 4 SER H . . . . . . . . . c19501_2mdq 1 . 1 . 34 . 1 1 4 SER HA H -5.682 3.459 2.214 . . . 1.0 . . . . . . . . . . . . A . 4 SER HA . . . . . . . . . c19501_2mdq 1 . 1 . 35 . 1 1 4 SER HB2 H -6.634 4.314 -0.526 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB2 . . . . . . . . . c19501_2mdq 1 . 1 . 36 . 1 1 4 SER HB3 H -7.561 4.403 0.971 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB3 . . . . . . . . . c19501_2mdq 1 . 1 . 37 . 1 1 4 SER HG H -6.207 5.977 1.729 . . . 1.0 . . . . . . . . . . . . A . 4 SER HG . . . . . . . . . c19501_2mdq 1 . 1 . 38 . 1 1 4 SER N N -4.320 3.520 0.657 . . . 1.0 . . . . . . . . . . . . A . 4 SER N . . . . . . . . . c19501_2mdq 1 . 1 . 39 . 1 1 4 SER O O -7.362 1.596 1.119 . . . 1.0 . . . . . . . . . . . . A . 4 SER O . . . . . . . . . c19501_2mdq 1 . 1 . 40 . 1 1 4 SER OG O -6.022 5.751 0.808 . . . 1.0 . . . . . . . . . . . . A . 4 SER OG . . . . . . . . . c19501_2mdq 1 . 1 . 41 . 1 1 5 HIS C C -4.896 -1.068 0.464 . . . 1.0 . . . . . . . . . . . . A . 5 HIS C . . . . . . . . . c19501_2mdq 1 . 1 . 42 . 1 1 5 HIS CA C -5.727 -0.128 -0.383 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CA . . . . . . . . . c19501_2mdq 1 . 1 . 43 . 1 1 5 HIS CB C -5.322 -0.353 -1.847 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CB . . . . . . . . . c19501_2mdq 1 . 1 . 44 . 1 1 5 HIS CD2 C -6.744 1.426 -3.091 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CD2 . . . . . . . . . c19501_2mdq 1 . 1 . 45 . 1 1 5 HIS CE1 C -7.464 0.189 -4.724 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CE1 . . . . . . . . . c19501_2mdq 1 . 1 . 46 . 1 1 5 HIS CG C -6.249 0.184 -2.894 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CG . . . . . . . . . c19501_2mdq 1 . 1 . 47 . 1 1 5 HIS H H -4.573 1.611 -0.247 . . . 1.0 . . . . . . . . . . . . A . 5 HIS H . . . . . . . . . c19501_2mdq 1 . 1 . 48 . 1 1 5 HIS HA H -6.781 -0.329 -0.266 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HA . . . . . . . . . c19501_2mdq 1 . 1 . 49 . 1 1 5 HIS HB2 H -4.369 0.138 -1.980 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB2 . . . . . . . . . c19501_2mdq 1 . 1 . 50 . 1 1 5 HIS HB3 H -5.185 -1.412 -2.012 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB3 . . . . . . . . . c19501_2mdq 1 . 1 . 51 . 1 1 5 HIS HD1 H -6.519 -1.534 -4.080 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD1 . . . . . . . . . c19501_2mdq 1 . 1 . 52 . 1 1 5 HIS HD2 H -6.558 2.285 -2.462 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD2 . . . . . . . . . c19501_2mdq 1 . 1 . 53 . 1 1 5 HIS HE1 H -7.952 -0.153 -5.626 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HE1 . . . . . . . . . c19501_2mdq 1 . 1 . 54 . 1 1 5 HIS N N -5.435 1.233 0.022 . . . 1.0 . . . . . . . . . . . . A . 5 HIS N . . . . . . . . . c19501_2mdq 1 . 1 . 55 . 1 1 5 HIS ND1 N -6.719 -0.580 -3.937 . . . 1.0 . . . . . . . . . . . . A . 5 HIS ND1 . . . . . . . . . c19501_2mdq 1 . 1 . 56 . 1 1 5 HIS NE2 N -7.519 1.428 -4.254 . . . 1.0 . . . . . . . . . . . . A . 5 HIS NE2 . . . . . . . . . c19501_2mdq 1 . 1 . 57 . 1 1 5 HIS O O -3.705 -1.181 0.231 . . . 1.0 . . . . . . . . . . . . A . 5 HIS O . . . . . . . . . c19501_2mdq 1 . 1 . 58 . 1 1 6 PRO C C -3.889 -3.694 1.555 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . c19501_2mdq 1 . 1 . 59 . 1 1 6 PRO CA C -4.744 -2.672 2.336 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . c19501_2mdq 1 . 1 . 60 . 1 1 6 PRO CB C -5.854 -3.379 3.109 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . c19501_2mdq 1 . 1 . 61 . 1 1 6 PRO CD C -6.905 -1.641 1.859 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . c19501_2mdq 1 . 1 . 62 . 1 1 6 PRO CG C -6.942 -2.370 3.175 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . c19501_2mdq 1 . 1 . 63 . 1 1 6 PRO HA H -4.106 -2.135 3.025 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . c19501_2mdq 1 . 1 . 64 . 1 1 6 PRO HB2 H -6.161 -4.263 2.570 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB2 . . . . . . . . . c19501_2mdq 1 . 1 . 65 . 1 1 6 PRO HB3 H -5.506 -3.650 4.094 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . c19501_2mdq 1 . 1 . 66 . 1 1 6 PRO HD2 H -7.548 -2.127 1.140 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD2 . . . . . . . . . c19501_2mdq 1 . 1 . 67 . 1 1 6 PRO HD3 H -7.195 -0.609 1.990 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . c19501_2mdq 1 . 1 . 68 . 1 1 6 PRO HG2 H -7.894 -2.861 3.313 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG2 . . . . . . . . . c19501_2mdq 1 . 1 . 69 . 1 1 6 PRO HG3 H -6.754 -1.683 3.988 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . c19501_2mdq 1 . 1 . 70 . 1 1 6 PRO N N -5.481 -1.740 1.463 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . c19501_2mdq 1 . 1 . 71 . 1 1 6 PRO O O -2.762 -4.002 1.950 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . c19501_2mdq 1 . 1 . 72 . 1 1 7 ALA C C -2.521 -4.557 -1.126 . . . 1.0 . . . . . . . . . . . . A . 7 ALA C . . . . . . . . . c19501_2mdq 1 . 1 . 73 . 1 1 7 ALA CA C -3.708 -5.166 -0.368 . . . 1.0 . . . . . . . . . . . . A . 7 ALA CA . . . . . . . . . c19501_2mdq 1 . 1 . 74 . 1 1 7 ALA CB C -4.660 -5.851 -1.330 . . . 1.0 . . . . . . . . . . . . A . 7 ALA CB . . . . . . . . . c19501_2mdq 1 . 1 . 75 . 1 1 7 ALA H H -5.294 -3.860 0.157 . . . 1.0 . . . . . . . . . . . . A . 7 ALA H . . . . . . . . . c19501_2mdq 1 . 1 . 76 . 1 1 7 ALA HA H -3.322 -5.915 0.309 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HA . . . . . . . . . c19501_2mdq 1 . 1 . 77 . 1 1 7 ALA HB1 H -5.496 -6.262 -0.783 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB1 . . . . . . . . . c19501_2mdq 1 . 1 . 78 . 1 1 7 ALA HB2 H -4.141 -6.645 -1.845 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB2 . . . . . . . . . c19501_2mdq 1 . 1 . 79 . 1 1 7 ALA HB3 H -5.020 -5.132 -2.051 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB3 . . . . . . . . . c19501_2mdq 1 . 1 . 80 . 1 1 7 ALA N N -4.410 -4.182 0.443 . . . 1.0 . . . . . . . . . . . . A . 7 ALA N . . . . . . . . . c19501_2mdq 1 . 1 . 81 . 1 1 7 ALA O O -1.436 -5.137 -1.159 . . . 1.0 . . . . . . . . . . . . A . 7 ALA O . . . . . . . . . c19501_2mdq 1 . 1 . 82 . 1 1 8 CYS C C -0.639 -2.044 -1.634 . . . 1.0 . . . . . . . . . . . . A . 8 CYS C . . . . . . . . . c19501_2mdq 1 . 1 . 83 . 1 1 8 CYS CA C -1.665 -2.744 -2.523 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CA . . . . . . . . . c19501_2mdq 1 . 1 . 84 . 1 1 8 CYS CB C -2.301 -1.722 -3.489 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CB . . . . . . . . . c19501_2mdq 1 . 1 . 85 . 1 1 8 CYS H H -3.561 -2.903 -1.542 . . . 1.0 . . . . . . . . . . . . A . 8 CYS H . . . . . . . . . c19501_2mdq 1 . 1 . 86 . 1 1 8 CYS HA H -1.174 -3.519 -3.091 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HA . . . . . . . . . c19501_2mdq 1 . 1 . 87 . 1 1 8 CYS HB2 H -3.212 -2.128 -3.900 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB2 . . . . . . . . . c19501_2mdq 1 . 1 . 88 . 1 1 8 CYS HB3 H -2.534 -0.839 -2.908 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB3 . . . . . . . . . c19501_2mdq 1 . 1 . 89 . 1 1 8 CYS N N -2.708 -3.367 -1.682 . . . 1.0 . . . . . . . . . . . . A . 8 CYS N . . . . . . . . . c19501_2mdq 1 . 1 . 90 . 1 1 8 CYS O O 0.500 -1.804 -2.027 . . . 1.0 . . . . . . . . . . . . A . 8 CYS O . . . . . . . . . c19501_2mdq 1 . 1 . 91 . 1 1 8 CYS SG S -1.232 -1.203 -4.892 . . . 1.0 . . . . . . . . . . . . A . 8 CYS SG . . . . . . . . . c19501_2mdq 1 . 1 . 92 . 1 1 9 ASN C C 1.008 -1.950 0.854 . . . 1.0 . . . . . . . . . . . . A . 9 ASN C . . . . . . . . . c19501_2mdq 1 . 1 . 93 . 1 1 9 ASN CA C -0.231 -1.115 0.599 . . . 1.0 . . . . . . . . . . . . A . 9 ASN CA . . . . . . . . . c19501_2mdq 1 . 1 . 94 . 1 1 9 ASN CB C -1.040 -1.045 1.883 . . . 1.0 . . . . . . . . . . . . A . 9 ASN CB . . . . . . . . . c19501_2mdq 1 . 1 . 95 . 1 1 9 ASN CG C -0.448 -0.180 2.974 . . . 1.0 . . . . . . . . . . . . A . 9 ASN CG . . . . . . . . . c19501_2mdq 1 . 1 . 96 . 1 1 9 ASN H H -1.987 -1.970 -0.187 . . . 1.0 . . . . . . . . . . . . A . 9 ASN H . . . . . . . . . c19501_2mdq 1 . 1 . 97 . 1 1 9 ASN HA H 0.027 -0.121 0.277 . . . 1.0 . . . . . . . . . . . . A . 9 ASN HA . . . . . . . . . c19501_2mdq 1 . 1 . 98 . 1 1 9 ASN HB2 H -2.043 -0.720 1.658 . . . 1.0 . . . . . . . . . . . . A . 9 ASN HB2 . . . . . . . . . c19501_2mdq 1 . 1 . 99 . 1 1 9 ASN HB3 H -1.083 -2.061 2.237 . . . 1.0 . . . . . . . . . . . . A . 9 ASN HB3 . . . . . . . . . c19501_2mdq 1 . 1 . 100 . 1 1 9 ASN HD21 H -1.644 1.284 2.453 . . . 1.0 . . . . . . . . . . . . A . 9 ASN HD21 . . . . . . . . . c19501_2mdq 1 . 1 . 101 . 1 1 9 ASN HD22 H -0.581 1.621 3.778 . . . 1.0 . . . . . . . . . . . . A . 9 ASN HD22 . . . . . . . . . c19501_2mdq 1 . 1 . 102 . 1 1 9 ASN N N -1.055 -1.764 -0.418 . . . 1.0 . . . . . . . . . . . . A . 9 ASN N . . . . . . . . . c19501_2mdq 1 . 1 . 103 . 1 1 9 ASN ND2 N -0.934 1.027 3.081 . . . 1.0 . . . . . . . . . . . . A . 9 ASN ND2 . . . . . . . . . c19501_2mdq 1 . 1 . 104 . 1 1 9 ASN O O 2.124 -1.441 0.945 . . . 1.0 . . . . . . . . . . . . A . 9 ASN O . . . . . . . . . c19501_2mdq 1 . 1 . 105 . 1 1 9 ASN OD1 O 0.381 -0.620 3.756 . . . 1.0 . . . . . . . . . . . . A . 9 ASN OD1 . . . . . . . . . c19501_2mdq 1 . 1 . 106 . 1 1 10 VAL C C 2.898 -4.240 0.117 . . . 1.0 . . . . . . . . . . . . A . 10 VAL C . . . . . . . . . c19501_2mdq 1 . 1 . 107 . 1 1 10 VAL CA C 1.805 -4.230 1.189 . . . 1.0 . . . . . . . . . . . . A . 10 VAL CA . . . . . . . . . c19501_2mdq 1 . 1 . 108 . 1 1 10 VAL CB C 1.197 -5.653 1.320 . . . 1.0 . . . . . . . . . . . . A . 10 VAL CB . . . . . . . . . c19501_2mdq 1 . 1 . 109 . 1 1 10 VAL CG1 C 2.256 -6.694 1.676 . . . 1.0 . . . . . . . . . . . . A . 10 VAL CG1 . . . . . . . . . c19501_2mdq 1 . 1 . 110 . 1 1 10 VAL CG2 C 0.079 -5.671 2.342 . . . 1.0 . . . . . . . . . . . . A . 10 VAL CG2 . . . . . . . . . c19501_2mdq 1 . 1 . 111 . 1 1 10 VAL H H -0.147 -3.519 0.753 . . . 1.0 . . . . . . . . . . . . A . 10 VAL H . . . . . . . . . c19501_2mdq 1 . 1 . 112 . 1 1 10 VAL HA H 2.254 -3.977 2.135 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HA . . . . . . . . . c19501_2mdq 1 . 1 . 113 . 1 1 10 VAL HB H 0.780 -5.897 0.358 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HB . . . . . . . . . c19501_2mdq 1 . 1 . 114 . 1 1 10 VAL HG11 H 1.793 -7.666 1.755 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG11 . . . . . . . . . c19501_2mdq 1 . 1 . 115 . 1 1 10 VAL HG12 H 2.712 -6.436 2.620 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG12 . . . . . . . . . c19501_2mdq 1 . 1 . 116 . 1 1 10 VAL HG13 H 3.013 -6.716 0.905 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG13 . . . . . . . . . c19501_2mdq 1 . 1 . 117 . 1 1 10 VAL HG21 H -0.699 -4.987 2.040 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG21 . . . . . . . . . c19501_2mdq 1 . 1 . 118 . 1 1 10 VAL HG22 H 0.469 -5.371 3.304 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG22 . . . . . . . . . c19501_2mdq 1 . 1 . 119 . 1 1 10 VAL HG23 H -0.325 -6.670 2.414 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG23 . . . . . . . . . c19501_2mdq 1 . 1 . 120 . 1 1 10 VAL N N 0.781 -3.245 0.909 . . . 1.0 . . . . . . . . . . . . A . 10 VAL N . . . . . . . . . c19501_2mdq 1 . 1 . 121 . 1 1 10 VAL O O 4.079 -4.435 0.429 . . . 1.0 . . . . . . . . . . . . A . 10 VAL O . . . . . . . . . c19501_2mdq 1 . 1 . 122 . 1 1 11 ASP C C 4.183 -2.753 -2.502 . . . 1.0 . . . . . . . . . . . . A . 11 ASP C . . . . . . . . . c19501_2mdq 1 . 1 . 123 . 1 1 11 ASP CA C 3.533 -4.084 -2.181 . . . 1.0 . . . . . . . . . . . . A . 11 ASP CA . . . . . . . . . c19501_2mdq 1 . 1 . 124 . 1 1 11 ASP CB C 3.026 -4.805 -3.443 . . . 1.0 . . . . . . . . . . . . A . 11 ASP CB . . . . . . . . . c19501_2mdq 1 . 1 . 125 . 1 1 11 ASP CG C 1.999 -4.046 -4.243 . . . 1.0 . . . . . . . . . . . . A . 11 ASP CG . . . . . . . . . c19501_2mdq 1 . 1 . 126 . 1 1 11 ASP H H 1.621 -3.720 -1.342 . . . 1.0 . . . . . . . . . . . . A . 11 ASP H . . . . . . . . . c19501_2mdq 1 . 1 . 127 . 1 1 11 ASP HA H 4.320 -4.679 -1.747 . . . 1.0 . . . . . . . . . . . . A . 11 ASP HA . . . . . . . . . c19501_2mdq 1 . 1 . 128 . 1 1 11 ASP HB2 H 3.867 -4.992 -4.092 . . . 1.0 . . . . . . . . . . . . A . 11 ASP HB2 . . . . . . . . . c19501_2mdq 1 . 1 . 129 . 1 1 11 ASP HB3 H 2.599 -5.753 -3.149 . . . 1.0 . . . . . . . . . . . . A . 11 ASP HB3 . . . . . . . . . c19501_2mdq 1 . 1 . 130 . 1 1 11 ASP N N 2.540 -3.990 -1.124 . . . 1.0 . . . . . . . . . . . . A . 11 ASP N . . . . . . . . . c19501_2mdq 1 . 1 . 131 . 1 1 11 ASP O O 5.048 -2.675 -3.378 . . . 1.0 . . . . . . . . . . . . A . 11 ASP O . . . . . . . . . c19501_2mdq 1 . 1 . 132 . 1 1 11 ASP OD1 O 2.390 -3.303 -5.171 . . . 1.0 . . . . . . . . . . . . A . 11 ASP OD1 . . . . . . . . . c19501_2mdq 1 . 1 . 133 . 1 1 11 ASP OD2 O 0.791 -4.240 -4.023 . . . 1.0 . . . . . . . . . . . . A . 11 ASP OD2 . . . . . . . . . c19501_2mdq 1 . 1 . 134 . 1 1 12 HIS C C 5.075 -0.024 -0.567 . . . 1.0 . . . . . . . . . . . . A . 12 HIS C . . . . . . . . . c19501_2mdq 1 . 1 . 135 . 1 1 12 HIS CA C 4.432 -0.439 -1.896 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CA . . . . . . . . . c19501_2mdq 1 . 1 . 136 . 1 1 12 HIS CB C 3.424 0.625 -2.277 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CB . . . . . . . . . c19501_2mdq 1 . 1 . 137 . 1 1 12 HIS CD2 C 1.859 0.012 -4.219 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CD2 . . . . . . . . . c19501_2mdq 1 . 1 . 138 . 1 1 12 HIS CE1 C 2.772 1.182 -5.805 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CE1 . . . . . . . . . c19501_2mdq 1 . 1 . 139 . 1 1 12 HIS CG C 2.930 0.622 -3.684 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CG . . . . . . . . . c19501_2mdq 1 . 1 . 140 . 1 1 12 HIS H H 3.077 -1.795 -1.130 . . . 1.0 . . . . . . . . . . . . A . 12 HIS H . . . . . . . . . c19501_2mdq 1 . 1 . 141 . 1 1 12 HIS HA H 5.180 -0.491 -2.669 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HA . . . . . . . . . c19501_2mdq 1 . 1 . 142 . 1 1 12 HIS HB2 H 2.573 0.453 -1.640 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HB2 . . . . . . . . . c19501_2mdq 1 . 1 . 143 . 1 1 12 HIS HB3 H 3.849 1.579 -2.027 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HB3 . . . . . . . . . c19501_2mdq 1 . 1 . 144 . 1 1 12 HIS HD1 H 4.306 1.920 -4.672 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HD1 . . . . . . . . . c19501_2mdq 1 . 1 . 145 . 1 1 12 HIS HD2 H 1.188 -0.658 -3.700 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HD2 . . . . . . . . . c19501_2mdq 1 . 1 . 146 . 1 1 12 HIS HE1 H 2.988 1.641 -6.760 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HE1 . . . . . . . . . c19501_2mdq 1 . 1 . 147 . 1 1 12 HIS N N 3.806 -1.722 -1.778 . . . 1.0 . . . . . . . . . . . . A . 12 HIS N . . . . . . . . . c19501_2mdq 1 . 1 . 148 . 1 1 12 HIS ND1 N 3.501 1.358 -4.709 . . . 1.0 . . . . . . . . . . . . A . 12 HIS ND1 . . . . . . . . . c19501_2mdq 1 . 1 . 149 . 1 1 12 HIS NE2 N 1.757 0.375 -5.573 . . . 1.0 . . . . . . . . . . . . A . 12 HIS NE2 . . . . . . . . . c19501_2mdq 1 . 1 . 150 . 1 1 12 HIS O O 4.595 0.912 0.081 . . . 1.0 . . . . . . . . . . . . A . 12 HIS O . . . . . . . . . c19501_2mdq 1 . 1 . 151 . 1 1 13 PRO C C 7.542 1.023 1.099 . . . 1.0 . . . . . . . . . . . . A . 13 PRO C . . . . . . . . . c19501_2mdq 1 . 1 . 152 . 1 1 13 PRO CA C 6.839 -0.329 1.142 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CA . . . . . . . . . c19501_2mdq 1 . 1 . 153 . 1 1 13 PRO CB C 7.848 -1.464 1.340 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CB . . . . . . . . . c19501_2mdq 1 . 1 . 154 . 1 1 13 PRO CD C 6.946 -1.709 -0.878 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CD . . . . . . . . . c19501_2mdq 1 . 1 . 155 . 1 1 13 PRO CG C 8.177 -1.936 -0.037 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CG . . . . . . . . . c19501_2mdq 1 . 1 . 156 . 1 1 13 PRO HA H 6.115 -0.322 1.940 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HA . . . . . . . . . c19501_2mdq 1 . 1 . 157 . 1 1 13 PRO HB2 H 8.723 -1.082 1.846 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HB2 . . . . . . . . . c19501_2mdq 1 . 1 . 158 . 1 1 13 PRO HB3 H 7.403 -2.250 1.931 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HB3 . . . . . . . . . c19501_2mdq 1 . 1 . 159 . 1 1 13 PRO HD2 H 7.217 -1.375 -1.869 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HD2 . . . . . . . . . c19501_2mdq 1 . 1 . 160 . 1 1 13 PRO HD3 H 6.356 -2.612 -0.936 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HD3 . . . . . . . . . c19501_2mdq 1 . 1 . 161 . 1 1 13 PRO HG2 H 9.007 -1.366 -0.426 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HG2 . . . . . . . . . c19501_2mdq 1 . 1 . 162 . 1 1 13 PRO HG3 H 8.427 -2.986 -0.013 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HG3 . . . . . . . . . c19501_2mdq 1 . 1 . 163 . 1 1 13 PRO N N 6.205 -0.648 -0.152 . . . 1.0 . . . . . . . . . . . . A . 13 PRO N . . . . . . . . . c19501_2mdq 1 . 1 . 164 . 1 1 13 PRO O O 7.914 1.600 2.128 . . . 1.0 . . . . . . . . . . . . A . 13 PRO O . . . . . . . . . c19501_2mdq 1 . 1 . 165 . 1 1 14 GLU C C 7.328 3.909 -0.194 . . . 1.0 . . . . . . . . . . . . A . 14 GLU C . . . . . . . . . c19501_2mdq 1 . 1 . 166 . 1 1 14 GLU CA C 8.321 2.760 -0.376 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CA . . . . . . . . . c19501_2mdq 1 . 1 . 167 . 1 1 14 GLU CB C 8.823 2.731 -1.808 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CB . . . . . . . . . c19501_2mdq 1 . 1 . 168 . 1 1 14 GLU CD C 8.230 2.404 -4.237 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CD . . . . . . . . . c19501_2mdq 1 . 1 . 169 . 1 1 14 GLU CG C 7.743 2.398 -2.825 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CG . . . . . . . . . c19501_2mdq 1 . 1 . 170 . 1 1 14 GLU H H 7.411 0.971 -0.860 . . . 1.0 . . . . . . . . . . . . A . 14 GLU H . . . . . . . . . c19501_2mdq 1 . 1 . 171 . 1 1 14 GLU HA H 9.169 2.894 0.277 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HA . . . . . . . . . c19501_2mdq 1 . 1 . 172 . 1 1 14 GLU HB2 H 9.200 3.711 -2.036 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HB2 . . . . . . . . . c19501_2mdq 1 . 1 . 173 . 1 1 14 GLU HB3 H 9.618 2.006 -1.898 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HB3 . . . . . . . . . c19501_2mdq 1 . 1 . 174 . 1 1 14 GLU HG2 H 7.326 1.425 -2.609 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HG2 . . . . . . . . . c19501_2mdq 1 . 1 . 175 . 1 1 14 GLU HG3 H 6.974 3.148 -2.726 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HG3 . . . . . . . . . c19501_2mdq 1 . 1 . 176 . 1 1 14 GLU N N 7.706 1.510 -0.098 . . . 1.0 . . . . . . . . . . . . A . 14 GLU N . . . . . . . . . c19501_2mdq 1 . 1 . 177 . 1 1 14 GLU O O 7.722 5.042 0.032 . . . 1.0 . . . . . . . . . . . . A . 14 GLU O . . . . . . . . . c19501_2mdq 1 . 1 . 178 . 1 1 14 GLU OE1 O 8.739 1.372 -4.700 . . . 1.0 . . . . . . . . . . . . A . 14 GLU OE1 . . . . . . . . . c19501_2mdq 1 . 1 . 179 . 1 1 14 GLU OE2 O 8.090 3.430 -4.914 . . . 1.0 . . . . . . . . . . . . A . 14 GLU OE2 . . . . . . . . . c19501_2mdq 1 . 1 . 180 . 1 1 15 ILE C C 4.312 4.484 1.118 . . . 1.0 . . . . . . . . . . . . A . 15 ILE C . . . . . . . . . c19501_2mdq 1 . 1 . 181 . 1 1 15 ILE CA C 5.017 4.637 -0.194 . . . 1.0 . . . . . . . . . . . . A . 15 ILE CA . . . . . . . . . c19501_2mdq 1 . 1 . 182 . 1 1 15 ILE CB C 3.946 4.545 -1.336 . . . 1.0 . . . . . . . . . . . . A . 15 ILE CB . . . . . . . . . c19501_2mdq 1 . 1 . 183 . 1 1 15 ILE CD1 C 5.533 5.633 -3.024 . . . 1.0 . . . . . . . . . . . . A . 15 ILE CD1 . . . . . . . . . c19501_2mdq 1 . 1 . 184 . 1 1 15 ILE CG1 C 4.592 4.485 -2.722 . . . 1.0 . . . . . . . . . . . . A . 15 ILE CG1 . . . . . . . . . c19501_2mdq 1 . 1 . 185 . 1 1 15 ILE CG2 C 2.972 5.723 -1.267 . . . 1.0 . . . . . . . . . . . . A . 15 ILE CG2 . . . . . . . . . c19501_2mdq 1 . 1 . 186 . 1 1 15 ILE H H 5.782 2.670 -0.414 . . . 1.0 . . . . . . . . . . . . A . 15 ILE H . . . . . . . . . c19501_2mdq 1 . 1 . 187 . 1 1 15 ILE HA H 5.491 5.604 -0.229 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HA . . . . . . . . . c19501_2mdq 1 . 1 . 188 . 1 1 15 ILE HB H 3.375 3.642 -1.173 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HB . . . . . . . . . c19501_2mdq 1 . 1 . 189 . 1 1 15 ILE HD11 H 4.984 6.562 -2.976 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HD11 . . . . . . . . . c19501_2mdq 1 . 1 . 190 . 1 1 15 ILE HD12 H 5.945 5.507 -4.015 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HD12 . . . . . . . . . c19501_2mdq 1 . 1 . 191 . 1 1 15 ILE HD13 H 6.333 5.643 -2.299 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HD13 . . . . . . . . . c19501_2mdq 1 . 1 . 192 . 1 1 15 ILE HG12 H 5.126 3.554 -2.827 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HG12 . . . . . . . . . c19501_2mdq 1 . 1 . 193 . 1 1 15 ILE HG13 H 3.803 4.503 -3.458 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HG13 . . . . . . . . . c19501_2mdq 1 . 1 . 194 . 1 1 15 ILE HG21 H 3.519 6.648 -1.377 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HG21 . . . . . . . . . c19501_2mdq 1 . 1 . 195 . 1 1 15 ILE HG22 H 2.465 5.716 -0.313 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HG22 . . . . . . . . . c19501_2mdq 1 . 1 . 196 . 1 1 15 ILE HG23 H 2.247 5.636 -2.061 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HG23 . . . . . . . . . c19501_2mdq 1 . 1 . 197 . 1 1 15 ILE N N 6.043 3.607 -0.299 . . . 1.0 . . . . . . . . . . . . A . 15 ILE N . . . . . . . . . c19501_2mdq 1 . 1 . 198 . 1 1 15 ILE O O 4.185 5.428 1.902 . . . 1.0 . . . . . . . . . . . . A . 15 ILE O . . . . . . . . . c19501_2mdq 1 . 1 . 199 . 1 1 16 CYS C C 4.065 2.336 3.554 . . . 1.0 . . . . . . . . . . . . A . 16 CYS C . . . . . . . . . c19501_2mdq 1 . 1 . 200 . 1 1 16 CYS CA C 3.141 2.951 2.515 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CA . . . . . . . . . c19501_2mdq 1 . 1 . 201 . 1 1 16 CYS CB C 2.065 1.974 2.124 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CB . . . . . . . . . c19501_2mdq 1 . 1 . 202 . 1 1 16 CYS H H 4.093 2.570 0.725 . . . 1.0 . . . . . . . . . . . . A . 16 CYS H . . . . . . . . . c19501_2mdq 1 . 1 . 203 . 1 1 16 CYS HA H 2.674 3.834 2.910 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HA . . . . . . . . . c19501_2mdq 1 . 1 . 204 . 1 1 16 CYS HB2 H 2.585 1.068 1.879 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB2 . . . . . . . . . c19501_2mdq 1 . 1 . 205 . 1 1 16 CYS HB3 H 1.410 1.798 2.965 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB3 . . . . . . . . . c19501_2mdq 1 . 1 . 206 . 1 1 16 CYS N N 3.890 3.292 1.357 . . . 1.0 . . . . . . . . . . . . A . 16 CYS N . . . . . . . . . c19501_2mdq 1 . 1 . 207 . 1 1 16 CYS O O 4.396 1.155 3.490 . . . 1.0 . . . . . . . . . . . . A . 16 CYS O . . . . . . . . . c19501_2mdq 1 . 1 . 208 . 1 1 16 CYS SG S 1.040 2.475 0.669 . . . 1.0 . . . . . . . . . . . . A . 16 CYS SG . . . . . . . . . c19501_2mdq 1 . 1 . 209 . 1 1 17 NH2 HN1 H 4.229 4.076 4.459 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 HN1 . . . . . . . . . c19501_2mdq 1 . 1 . 210 . 1 1 17 NH2 HN2 H 5.180 2.783 5.108 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 HN2 . . . . . . . . . c19501_2mdq 1 . 1 . 211 . 1 1 17 NH2 N N 4.538 3.145 4.464 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 N . . . . . . . . . c19501_2mdq 1 . 2 . 212 . 1 1 1 GLY C C -3.711 4.332 -3.132 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c19501_2mdq 1 . 2 . 213 . 1 1 1 GLY CA C -3.670 5.706 -3.736 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c19501_2mdq 1 . 2 . 214 . 1 1 1 GLY H1 H -5.338 6.349 -2.756 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c19501_2mdq 1 . 2 . 215 . 1 1 1 GLY H2 H -5.648 5.680 -4.274 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H2 . . . . . . . . . c19501_2mdq 1 . 2 . 216 . 1 1 1 GLY H3 H -4.979 7.249 -4.140 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H3 . . . . . . . . . c19501_2mdq 1 . 2 . 217 . 1 1 1 GLY HA2 H -3.304 5.631 -4.750 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c19501_2mdq 1 . 2 . 218 . 1 1 1 GLY HA3 H -3.003 6.335 -3.166 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c19501_2mdq 1 . 2 . 219 . 1 1 1 GLY N N -5.000 6.291 -3.738 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c19501_2mdq 1 . 2 . 220 . 1 1 1 GLY O O -4.674 3.983 -2.433 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c19501_2mdq 1 . 2 . 221 . 1 1 2 CYS C C -2.509 2.108 -1.363 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . c19501_2mdq 1 . 2 . 222 . 1 1 2 CYS CA C -2.582 2.211 -2.851 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . c19501_2mdq 1 . 2 . 223 . 1 1 2 CYS CB C -1.430 1.523 -3.453 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . c19501_2mdq 1 . 2 . 224 . 1 1 2 CYS H H -1.901 3.888 -3.859 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . c19501_2mdq 1 . 2 . 225 . 1 1 2 CYS HA H -3.464 1.707 -3.198 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . c19501_2mdq 1 . 2 . 226 . 1 1 2 CYS HB2 H -0.711 2.314 -3.561 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . c19501_2mdq 1 . 2 . 227 . 1 1 2 CYS HB3 H -1.066 0.787 -2.761 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . c19501_2mdq 1 . 2 . 228 . 1 1 2 CYS N N -2.669 3.562 -3.344 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . c19501_2mdq 1 . 2 . 229 . 1 1 2 CYS O O -2.679 1.049 -0.808 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . c19501_2mdq 1 . 2 . 230 . 1 1 2 CYS SG S -1.766 0.812 -5.081 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . c19501_2mdq 1 . 2 . 231 . 1 1 3 CYS C C -3.572 3.000 1.306 . . . 1.0 . . . . . . . . . . . . A . 3 CYS C . . . . . . . . . c19501_2mdq 1 . 2 . 232 . 1 1 3 CYS CA C -2.199 3.219 0.706 . . . 1.0 . . . . . . . . . . . . A . 3 CYS CA . . . . . . . . . c19501_2mdq 1 . 2 . 233 . 1 1 3 CYS CB C -1.610 4.509 1.176 . . . 1.0 . . . . . . . . . . . . A . 3 CYS CB . . . . . . . . . c19501_2mdq 1 . 2 . 234 . 1 1 3 CYS H H -2.053 3.998 -1.234 . . . 1.0 . . . . . . . . . . . . A . 3 CYS H . . . . . . . . . c19501_2mdq 1 . 2 . 235 . 1 1 3 CYS HA H -1.572 2.398 0.997 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HA . . . . . . . . . c19501_2mdq 1 . 2 . 236 . 1 1 3 CYS HB2 H -2.187 5.308 0.736 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HB2 . . . . . . . . . c19501_2mdq 1 . 2 . 237 . 1 1 3 CYS HB3 H -1.752 4.538 2.235 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HB3 . . . . . . . . . c19501_2mdq 1 . 2 . 238 . 1 1 3 CYS N N -2.254 3.188 -0.725 . . . 1.0 . . . . . . . . . . . . A . 3 CYS N . . . . . . . . . c19501_2mdq 1 . 2 . 239 . 1 1 3 CYS O O -3.735 2.325 2.325 . . . 1.0 . . . . . . . . . . . . A . 3 CYS O . . . . . . . . . c19501_2mdq 1 . 2 . 240 . 1 1 3 CYS SG S 0.141 4.801 0.737 . . . 1.0 . . . . . . . . . . . . A . 3 CYS SG . . . . . . . . . c19501_2mdq 1 . 2 . 241 . 1 1 4 SER C C -6.452 1.966 0.541 . . . 1.0 . . . . . . . . . . . . A . 4 SER C . . . . . . . . . c19501_2mdq 1 . 2 . 242 . 1 1 4 SER CA C -5.932 3.351 1.007 . . . 1.0 . . . . . . . . . . . . A . 4 SER CA . . . . . . . . . c19501_2mdq 1 . 2 . 243 . 1 1 4 SER CB C -6.738 4.481 0.373 . . . 1.0 . . . . . . . . . . . . A . 4 SER CB . . . . . . . . . c19501_2mdq 1 . 2 . 244 . 1 1 4 SER H H -4.269 4.065 -0.128 . . . 1.0 . . . . . . . . . . . . A . 4 SER H . . . . . . . . . c19501_2mdq 1 . 2 . 245 . 1 1 4 SER HA H -6.010 3.418 2.082 . . . 1.0 . . . . . . . . . . . . A . 4 SER HA . . . . . . . . . c19501_2mdq 1 . 2 . 246 . 1 1 4 SER HB2 H -6.724 4.373 -0.702 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB2 . . . . . . . . . c19501_2mdq 1 . 2 . 247 . 1 1 4 SER HB3 H -7.756 4.446 0.731 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB3 . . . . . . . . . c19501_2mdq 1 . 2 . 248 . 1 1 4 SER HG H -6.250 5.831 1.681 . . . 1.0 . . . . . . . . . . . . A . 4 SER HG . . . . . . . . . c19501_2mdq 1 . 2 . 249 . 1 1 4 SER N N -4.537 3.515 0.640 . . . 1.0 . . . . . . . . . . . . A . 4 SER N . . . . . . . . . c19501_2mdq 1 . 2 . 250 . 1 1 4 SER O O -7.644 1.681 0.574 . . . 1.0 . . . . . . . . . . . . A . 4 SER O . . . . . . . . . c19501_2mdq 1 . 2 . 251 . 1 1 4 SER OG O -6.170 5.746 0.722 . . . 1.0 . . . . . . . . . . . . A . 4 SER OG . . . . . . . . . c19501_2mdq 1 . 2 . 252 . 1 1 5 HIS C C -4.859 -1.191 0.354 . . . 1.0 . . . . . . . . . . . . A . 5 HIS C . . . . . . . . . c19501_2mdq 1 . 2 . 253 . 1 1 5 HIS CA C -5.795 -0.214 -0.350 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CA . . . . . . . . . c19501_2mdq 1 . 2 . 254 . 1 1 5 HIS CB C -5.548 -0.293 -1.855 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CB . . . . . . . . . c19501_2mdq 1 . 2 . 255 . 1 1 5 HIS CD2 C -6.638 1.675 -3.157 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CD2 . . . . . . . . . c19501_2mdq 1 . 2 . 256 . 1 1 5 HIS CE1 C -8.384 0.654 -3.933 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CE1 . . . . . . . . . c19501_2mdq 1 . 2 . 257 . 1 1 5 HIS CG C -6.579 0.397 -2.709 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CG . . . . . . . . . c19501_2mdq 1 . 2 . 258 . 1 1 5 HIS H H -4.587 1.408 0.140 . . . 1.0 . . . . . . . . . . . . A . 5 HIS H . . . . . . . . . c19501_2mdq 1 . 2 . 259 . 1 1 5 HIS HA H -6.824 -0.463 -0.143 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HA . . . . . . . . . c19501_2mdq 1 . 2 . 260 . 1 1 5 HIS HB2 H -4.602 0.215 -1.996 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB2 . . . . . . . . . c19501_2mdq 1 . 2 . 261 . 1 1 5 HIS HB3 H -5.447 -1.324 -2.157 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB3 . . . . . . . . . c19501_2mdq 1 . 2 . 262 . 1 1 5 HIS HD1 H -7.965 -1.165 -3.076 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD1 . . . . . . . . . c19501_2mdq 1 . 2 . 263 . 1 1 5 HIS HD2 H -5.918 2.457 -2.951 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD2 . . . . . . . . . c19501_2mdq 1 . 2 . 264 . 1 1 5 HIS HE1 H -9.308 0.435 -4.449 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HE1 . . . . . . . . . c19501_2mdq 1 . 2 . 265 . 1 1 5 HIS N N -5.525 1.124 0.122 . . . 1.0 . . . . . . . . . . . . A . 5 HIS N . . . . . . . . . c19501_2mdq 1 . 2 . 266 . 1 1 5 HIS ND1 N -7.698 -0.230 -3.212 . . . 1.0 . . . . . . . . . . . . A . 5 HIS ND1 . . . . . . . . . c19501_2mdq 1 . 2 . 267 . 1 1 5 HIS NE2 N -7.785 1.833 -3.933 . . . 1.0 . . . . . . . . . . . . A . 5 HIS NE2 . . . . . . . . . c19501_2mdq 1 . 2 . 268 . 1 1 5 HIS O O -3.728 -1.360 -0.078 . . . 1.0 . . . . . . . . . . . . A . 5 HIS O . . . . . . . . . c19501_2mdq 1 . 2 . 269 . 1 1 6 PRO C C -3.570 -3.690 1.486 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . c19501_2mdq 1 . 2 . 270 . 1 1 6 PRO CA C -4.489 -2.742 2.285 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . c19501_2mdq 1 . 2 . 271 . 1 1 6 PRO CB C -5.541 -3.529 3.058 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . c19501_2mdq 1 . 2 . 272 . 1 1 6 PRO CD C -6.682 -1.701 2.002 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . c19501_2mdq 1 . 2 . 273 . 1 1 6 PRO CG C -6.643 -2.547 3.254 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . c19501_2mdq 1 . 2 . 274 . 1 1 6 PRO HA H -3.882 -2.185 2.982 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . c19501_2mdq 1 . 2 . 275 . 1 1 6 PRO HB2 H -5.856 -4.381 2.475 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB2 . . . . . . . . . c19501_2mdq 1 . 2 . 276 . 1 1 6 PRO HB3 H -5.134 -3.859 4.003 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . c19501_2mdq 1 . 2 . 277 . 1 1 6 PRO HD2 H -7.408 -2.088 1.304 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD2 . . . . . . . . . c19501_2mdq 1 . 2 . 278 . 1 1 6 PRO HD3 H -6.904 -0.673 2.246 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . c19501_2mdq 1 . 2 . 279 . 1 1 6 PRO HG2 H -7.580 -3.067 3.389 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG2 . . . . . . . . . c19501_2mdq 1 . 2 . 280 . 1 1 6 PRO HG3 H -6.433 -1.929 4.115 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . c19501_2mdq 1 . 2 . 281 . 1 1 6 PRO N N -5.310 -1.826 1.454 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . c19501_2mdq 1 . 2 . 282 . 1 1 6 PRO O O -2.381 -3.787 1.770 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . c19501_2mdq 1 . 2 . 283 . 1 1 7 ALA C C -2.205 -4.602 -1.110 . . . 1.0 . . . . . . . . . . . . A . 7 ALA C . . . . . . . . . c19501_2mdq 1 . 2 . 284 . 1 1 7 ALA CA C -3.341 -5.277 -0.339 . . . 1.0 . . . . . . . . . . . . A . 7 ALA CA . . . . . . . . . c19501_2mdq 1 . 2 . 285 . 1 1 7 ALA CB C -4.246 -6.017 -1.301 . . . 1.0 . . . . . . . . . . . . A . 7 ALA CB . . . . . . . . . c19501_2mdq 1 . 2 . 286 . 1 1 7 ALA H H -5.054 -4.161 0.261 . . . 1.0 . . . . . . . . . . . . A . 7 ALA H . . . . . . . . . c19501_2mdq 1 . 2 . 287 . 1 1 7 ALA HA H -2.911 -6.001 0.337 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HA . . . . . . . . . c19501_2mdq 1 . 2 . 288 . 1 1 7 ALA HB1 H -4.675 -5.317 -2.002 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB1 . . . . . . . . . c19501_2mdq 1 . 2 . 289 . 1 1 7 ALA HB2 H -5.033 -6.515 -0.754 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB2 . . . . . . . . . c19501_2mdq 1 . 2 . 290 . 1 1 7 ALA HB3 H -3.663 -6.748 -1.840 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB3 . . . . . . . . . c19501_2mdq 1 . 2 . 291 . 1 1 7 ALA N N -4.108 -4.330 0.465 . . . 1.0 . . . . . . . . . . . . A . 7 ALA N . . . . . . . . . c19501_2mdq 1 . 2 . 292 . 1 1 7 ALA O O -1.089 -5.111 -1.141 . . . 1.0 . . . . . . . . . . . . A . 7 ALA O . . . . . . . . . c19501_2mdq 1 . 2 . 293 . 1 1 8 CYS C C -0.519 -1.976 -1.661 . . . 1.0 . . . . . . . . . . . . A . 8 CYS C . . . . . . . . . c19501_2mdq 1 . 2 . 294 . 1 1 8 CYS CA C -1.508 -2.738 -2.516 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CA . . . . . . . . . c19501_2mdq 1 . 2 . 295 . 1 1 8 CYS CB C -2.252 -1.742 -3.413 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CB . . . . . . . . . c19501_2mdq 1 . 2 . 296 . 1 1 8 CYS H H -3.333 -2.998 -1.457 . . . 1.0 . . . . . . . . . . . . A . 8 CYS H . . . . . . . . . c19501_2mdq 1 . 2 . 297 . 1 1 8 CYS HA H -0.989 -3.456 -3.131 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HA . . . . . . . . . c19501_2mdq 1 . 2 . 298 . 1 1 8 CYS HB2 H -3.174 -2.182 -3.759 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB2 . . . . . . . . . c19501_2mdq 1 . 2 . 299 . 1 1 8 CYS HB3 H -2.481 -0.890 -2.783 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB3 . . . . . . . . . c19501_2mdq 1 . 2 . 300 . 1 1 8 CYS N N -2.474 -3.428 -1.651 . . . 1.0 . . . . . . . . . . . . A . 8 CYS N . . . . . . . . . c19501_2mdq 1 . 2 . 301 . 1 1 8 CYS O O 0.594 -1.669 -2.069 . . . 1.0 . . . . . . . . . . . . A . 8 CYS O . . . . . . . . . c19501_2mdq 1 . 2 . 302 . 1 1 8 CYS SG S -1.287 -1.149 -4.857 . . . 1.0 . . . . . . . . . . . . A . 8 CYS SG . . . . . . . . . c19501_2mdq 1 . 2 . 303 . 1 1 9 ASN C C 1.039 -1.804 0.911 . . . 1.0 . . . . . . . . . . . . A . 9 ASN C . . . . . . . . . c19501_2mdq 1 . 2 . 304 . 1 1 9 ASN CA C -0.170 -0.994 0.520 . . . 1.0 . . . . . . . . . . . . A . 9 ASN CA . . . . . . . . . c19501_2mdq 1 . 2 . 305 . 1 1 9 ASN CB C -1.092 -0.776 1.697 . . . 1.0 . . . . . . . . . . . . A . 9 ASN CB . . . . . . . . . c19501_2mdq 1 . 2 . 306 . 1 1 9 ASN CG C -0.582 0.101 2.814 . . . 1.0 . . . . . . . . . . . . A . 9 ASN CG . . . . . . . . . c19501_2mdq 1 . 2 . 307 . 1 1 9 ASN H H -1.832 -2.030 -0.215 . . . 1.0 . . . . . . . . . . . . A . 9 ASN H . . . . . . . . . c19501_2mdq 1 . 2 . 308 . 1 1 9 ASN HA H 0.116 -0.040 0.112 . . . 1.0 . . . . . . . . . . . . A . 9 ASN HA . . . . . . . . . c19501_2mdq 1 . 2 . 309 . 1 1 9 ASN HB2 H -2.037 -0.409 1.338 . . . 1.0 . . . . . . . . . . . . A . 9 ASN HB2 . . . . . . . . . c19501_2mdq 1 . 2 . 310 . 1 1 9 ASN HB3 H -1.259 -1.765 2.091 . . . 1.0 . . . . . . . . . . . . A . 9 ASN HB3 . . . . . . . . . c19501_2mdq 1 . 2 . 311 . 1 1 9 ASN HD21 H -2.350 0.918 2.898 . . . 1.0 . . . . . . . . . . . . A . 9 ASN HD21 . . . . . . . . . c19501_2mdq 1 . 2 . 312 . 1 1 9 ASN HD22 H -1.207 1.529 4.033 . . . 1.0 . . . . . . . . . . . . A . 9 ASN HD22 . . . . . . . . . c19501_2mdq 1 . 2 . 313 . 1 1 9 ASN N N -0.932 -1.724 -0.461 . . . 1.0 . . . . . . . . . . . . A . 9 ASN N . . . . . . . . . c19501_2mdq 1 . 2 . 314 . 1 1 9 ASN ND2 N -1.451 0.927 3.297 . . . 1.0 . . . . . . . . . . . . A . 9 ASN ND2 . . . . . . . . . c19501_2mdq 1 . 2 . 315 . 1 1 9 ASN O O 2.158 -1.290 1.015 . . . 1.0 . . . . . . . . . . . . A . 9 ASN O . . . . . . . . . c19501_2mdq 1 . 2 . 316 . 1 1 9 ASN OD1 O 0.581 0.078 3.192 . . . 1.0 . . . . . . . . . . . . A . 9 ASN OD1 . . . . . . . . . c19501_2mdq 1 . 2 . 317 . 1 1 10 VAL C C 2.917 -4.133 0.365 . . . 1.0 . . . . . . . . . . . . A . 10 VAL C . . . . . . . . . c19501_2mdq 1 . 2 . 318 . 1 1 10 VAL CA C 1.814 -4.033 1.430 . . . 1.0 . . . . . . . . . . . . A . 10 VAL CA . . . . . . . . . c19501_2mdq 1 . 2 . 319 . 1 1 10 VAL CB C 1.209 -5.433 1.691 . . . 1.0 . . . . . . . . . . . . A . 10 VAL CB . . . . . . . . . c19501_2mdq 1 . 2 . 320 . 1 1 10 VAL CG1 C 2.288 -6.449 2.035 . . . 1.0 . . . . . . . . . . . . A . 10 VAL CG1 . . . . . . . . . c19501_2mdq 1 . 2 . 321 . 1 1 10 VAL CG2 C 0.173 -5.376 2.801 . . . 1.0 . . . . . . . . . . . . A . 10 VAL CG2 . . . . . . . . . c19501_2mdq 1 . 2 . 322 . 1 1 10 VAL H H -0.135 -3.355 0.933 . . . 1.0 . . . . . . . . . . . . A . 10 VAL H . . . . . . . . . c19501_2mdq 1 . 2 . 323 . 1 1 10 VAL HA H 2.260 -3.690 2.348 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HA . . . . . . . . . c19501_2mdq 1 . 2 . 324 . 1 1 10 VAL HB H 0.717 -5.732 0.782 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HB . . . . . . . . . c19501_2mdq 1 . 2 . 325 . 1 1 10 VAL HG11 H 1.831 -7.407 2.231 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG11 . . . . . . . . . c19501_2mdq 1 . 2 . 326 . 1 1 10 VAL HG12 H 2.829 -6.120 2.910 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG12 . . . . . . . . . c19501_2mdq 1 . 2 . 327 . 1 1 10 VAL HG13 H 2.969 -6.540 1.201 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG13 . . . . . . . . . c19501_2mdq 1 . 2 . 328 . 1 1 10 VAL HG21 H -0.618 -4.695 2.520 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG21 . . . . . . . . . c19501_2mdq 1 . 2 . 329 . 1 1 10 VAL HG22 H 0.638 -5.030 3.712 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG22 . . . . . . . . . c19501_2mdq 1 . 2 . 330 . 1 1 10 VAL HG23 H -0.242 -6.360 2.959 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG23 . . . . . . . . . c19501_2mdq 1 . 2 . 331 . 1 1 10 VAL N N 0.797 -3.077 1.064 . . . 1.0 . . . . . . . . . . . . A . 10 VAL N . . . . . . . . . c19501_2mdq 1 . 2 . 332 . 1 1 10 VAL O O 4.109 -4.167 0.703 . . . 1.0 . . . . . . . . . . . . A . 10 VAL O . . . . . . . . . c19501_2mdq 1 . 2 . 333 . 1 1 11 ASP C C 4.198 -3.003 -2.398 . . . 1.0 . . . . . . . . . . . . A . 11 ASP C . . . . . . . . . c19501_2mdq 1 . 2 . 334 . 1 1 11 ASP CA C 3.550 -4.312 -1.959 . . . 1.0 . . . . . . . . . . . . A . 11 ASP CA . . . . . . . . . c19501_2mdq 1 . 2 . 335 . 1 1 11 ASP CB C 3.069 -5.174 -3.153 . . . 1.0 . . . . . . . . . . . . A . 11 ASP CB . . . . . . . . . c19501_2mdq 1 . 2 . 336 . 1 1 11 ASP CG C 1.986 -4.566 -4.018 . . . 1.0 . . . . . . . . . . . . A . 11 ASP CG . . . . . . . . . c19501_2mdq 1 . 2 . 337 . 1 1 11 ASP H H 1.604 -4.009 -1.154 . . . 1.0 . . . . . . . . . . . . A . 11 ASP H . . . . . . . . . c19501_2mdq 1 . 2 . 338 . 1 1 11 ASP HA H 4.345 -4.842 -1.457 . . . 1.0 . . . . . . . . . . . . A . 11 ASP HA . . . . . . . . . c19501_2mdq 1 . 2 . 339 . 1 1 11 ASP HB2 H 3.912 -5.377 -3.794 . . . 1.0 . . . . . . . . . . . . A . 11 ASP HB2 . . . . . . . . . c19501_2mdq 1 . 2 . 340 . 1 1 11 ASP HB3 H 2.705 -6.114 -2.763 . . . 1.0 . . . . . . . . . . . . A . 11 ASP HB3 . . . . . . . . . c19501_2mdq 1 . 2 . 341 . 1 1 11 ASP N N 2.546 -4.135 -0.909 . . . 1.0 . . . . . . . . . . . . A . 11 ASP N . . . . . . . . . c19501_2mdq 1 . 2 . 342 . 1 1 11 ASP O O 5.036 -2.979 -3.311 . . . 1.0 . . . . . . . . . . . . A . 11 ASP O . . . . . . . . . c19501_2mdq 1 . 2 . 343 . 1 1 11 ASP OD1 O 0.799 -4.657 -3.663 . . . 1.0 . . . . . . . . . . . . A . 11 ASP OD1 . . . . . . . . . c19501_2mdq 1 . 2 . 344 . 1 1 11 ASP OD2 O 2.304 -4.065 -5.122 . . . 1.0 . . . . . . . . . . . . A . 11 ASP OD2 . . . . . . . . . c19501_2mdq 1 . 2 . 345 . 1 1 12 HIS C C 5.099 -0.188 -0.615 . . . 1.0 . . . . . . . . . . . . A . 12 HIS C . . . . . . . . . c19501_2mdq 1 . 2 . 346 . 1 1 12 HIS CA C 4.483 -0.666 -1.929 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CA . . . . . . . . . c19501_2mdq 1 . 2 . 347 . 1 1 12 HIS CB C 3.535 0.383 -2.427 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CB . . . . . . . . . c19501_2mdq 1 . 2 . 348 . 1 1 12 HIS CD2 C 1.919 -0.128 -4.355 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CD2 . . . . . . . . . c19501_2mdq 1 . 2 . 349 . 1 1 12 HIS CE1 C 3.180 0.417 -6.028 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CE1 . . . . . . . . . c19501_2mdq 1 . 2 . 350 . 1 1 12 HIS CG C 3.101 0.259 -3.844 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CG . . . . . . . . . c19501_2mdq 1 . 2 . 351 . 1 1 12 HIS H H 3.089 -1.933 -1.114 . . . 1.0 . . . . . . . . . . . . A . 12 HIS H . . . . . . . . . c19501_2mdq 1 . 2 . 352 . 1 1 12 HIS HA H 5.262 -0.800 -2.658 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HA . . . . . . . . . c19501_2mdq 1 . 2 . 353 . 1 1 12 HIS HB2 H 2.662 0.324 -1.801 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HB2 . . . . . . . . . c19501_2mdq 1 . 2 . 354 . 1 1 12 HIS HB3 H 4.020 1.325 -2.266 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HB3 . . . . . . . . . c19501_2mdq 1 . 2 . 355 . 1 1 12 HIS HD1 H 4.818 0.920 -4.903 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HD1 . . . . . . . . . c19501_2mdq 1 . 2 . 356 . 1 1 12 HIS HD2 H 1.072 -0.482 -3.782 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HD2 . . . . . . . . . c19501_2mdq 1 . 2 . 357 . 1 1 12 HIS HE1 H 3.553 0.603 -7.025 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HE1 . . . . . . . . . c19501_2mdq 1 . 2 . 358 . 1 1 12 HIS N N 3.833 -1.924 -1.747 . . . 1.0 . . . . . . . . . . . . A . 12 HIS N . . . . . . . . . c19501_2mdq 1 . 2 . 359 . 1 1 12 HIS ND1 N 3.890 0.597 -4.922 . . . 1.0 . . . . . . . . . . . . A . 12 HIS ND1 . . . . . . . . . c19501_2mdq 1 . 2 . 360 . 1 1 12 HIS NE2 N 1.966 -0.024 -5.747 . . . 1.0 . . . . . . . . . . . . A . 12 HIS NE2 . . . . . . . . . c19501_2mdq 1 . 2 . 361 . 1 1 12 HIS O O 4.566 0.729 0.018 . . . 1.0 . . . . . . . . . . . . A . 12 HIS O . . . . . . . . . c19501_2mdq 1 . 2 . 362 . 1 1 13 PRO C C 7.357 0.957 1.238 . . . 1.0 . . . . . . . . . . . . A . 13 PRO C . . . . . . . . . c19501_2mdq 1 . 2 . 363 . 1 1 13 PRO CA C 6.827 -0.462 1.126 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CA . . . . . . . . . c19501_2mdq 1 . 2 . 364 . 1 1 13 PRO CB C 7.967 -1.478 1.277 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CB . . . . . . . . . c19501_2mdq 1 . 2 . 365 . 1 1 13 PRO CD C 7.032 -1.775 -0.899 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CD . . . . . . . . . c19501_2mdq 1 . 2 . 366 . 1 1 13 PRO CG C 7.734 -2.493 0.208 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CG . . . . . . . . . c19501_2mdq 1 . 2 . 367 . 1 1 13 PRO HA H 6.113 -0.601 1.914 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HA . . . . . . . . . c19501_2mdq 1 . 2 . 368 . 1 1 13 PRO HB2 H 8.912 -0.971 1.141 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HB2 . . . . . . . . . c19501_2mdq 1 . 2 . 369 . 1 1 13 PRO HB3 H 7.933 -1.923 2.260 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HB3 . . . . . . . . . c19501_2mdq 1 . 2 . 370 . 1 1 13 PRO HD2 H 7.744 -1.300 -1.557 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HD2 . . . . . . . . . c19501_2mdq 1 . 2 . 371 . 1 1 13 PRO HD3 H 6.395 -2.450 -1.451 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HD3 . . . . . . . . . c19501_2mdq 1 . 2 . 372 . 1 1 13 PRO HG2 H 8.678 -2.887 -0.139 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HG2 . . . . . . . . . c19501_2mdq 1 . 2 . 373 . 1 1 13 PRO HG3 H 7.113 -3.291 0.590 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HG3 . . . . . . . . . c19501_2mdq 1 . 2 . 374 . 1 1 13 PRO N N 6.231 -0.775 -0.177 . . . 1.0 . . . . . . . . . . . . A . 13 PRO N . . . . . . . . . c19501_2mdq 1 . 2 . 375 . 1 1 13 PRO O O 7.451 1.515 2.336 . . . 1.0 . . . . . . . . . . . . A . 13 PRO O . . . . . . . . . c19501_2mdq 1 . 2 . 376 . 1 1 14 GLU C C 7.161 3.895 -0.088 . . . 1.0 . . . . . . . . . . . . A . 14 GLU C . . . . . . . . . c19501_2mdq 1 . 2 . 377 . 1 1 14 GLU CA C 8.231 2.836 0.088 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CA . . . . . . . . . c19501_2mdq 1 . 2 . 378 . 1 1 14 GLU CB C 9.256 2.949 -1.032 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CB . . . . . . . . . c19501_2mdq 1 . 2 . 379 . 1 1 14 GLU CD C 8.415 1.340 -2.797 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CD . . . . . . . . . c19501_2mdq 1 . 2 . 380 . 1 1 14 GLU CG C 8.739 2.757 -2.462 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CG . . . . . . . . . c19501_2mdq 1 . 2 . 381 . 1 1 14 GLU H H 7.526 1.080 -0.725 . . . 1.0 . . . . . . . . . . . . A . 14 GLU H . . . . . . . . . c19501_2mdq 1 . 2 . 382 . 1 1 14 GLU HA H 8.740 3.007 1.024 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HA . . . . . . . . . c19501_2mdq 1 . 2 . 383 . 1 1 14 GLU HB2 H 9.623 3.951 -0.969 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HB2 . . . . . . . . . c19501_2mdq 1 . 2 . 384 . 1 1 14 GLU HB3 H 10.064 2.255 -0.850 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HB3 . . . . . . . . . c19501_2mdq 1 . 2 . 385 . 1 1 14 GLU HG2 H 7.839 3.343 -2.580 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HG2 . . . . . . . . . c19501_2mdq 1 . 2 . 386 . 1 1 14 GLU HG3 H 9.482 3.118 -3.156 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HG3 . . . . . . . . . c19501_2mdq 1 . 2 . 387 . 1 1 14 GLU N N 7.671 1.536 0.130 . . . 1.0 . . . . . . . . . . . . A . 14 GLU N . . . . . . . . . c19501_2mdq 1 . 2 . 388 . 1 1 14 GLU O O 7.395 5.076 0.162 . . . 1.0 . . . . . . . . . . . . A . 14 GLU O . . . . . . . . . c19501_2mdq 1 . 2 . 389 . 1 1 14 GLU OE1 O 9.312 0.624 -3.268 . . . 1.0 . . . . . . . . . . . . A . 14 GLU OE1 . . . . . . . . . c19501_2mdq 1 . 2 . 390 . 1 1 14 GLU OE2 O 7.273 0.913 -2.586 . . . 1.0 . . . . . . . . . . . . A . 14 GLU OE2 . . . . . . . . . c19501_2mdq 1 . 2 . 391 . 1 1 15 ILE C C 3.977 4.390 0.392 . . . 1.0 . . . . . . . . . . . . A . 15 ILE C . . . . . . . . . c19501_2mdq 1 . 2 . 392 . 1 1 15 ILE CA C 4.939 4.431 -0.769 . . . 1.0 . . . . . . . . . . . . A . 15 ILE CA . . . . . . . . . c19501_2mdq 1 . 2 . 393 . 1 1 15 ILE CB C 4.179 4.125 -2.092 . . . 1.0 . . . . . . . . . . . . A . 15 ILE CB . . . . . . . . . c19501_2mdq 1 . 2 . 394 . 1 1 15 ILE CD1 C 4.520 3.817 -4.626 . . . 1.0 . . . . . . . . . . . . A . 15 ILE CD1 . . . . . . . . . c19501_2mdq 1 . 2 . 395 . 1 1 15 ILE CG1 C 5.168 3.998 -3.265 . . . 1.0 . . . . . . . . . . . . A . 15 ILE CG1 . . . . . . . . . c19501_2mdq 1 . 2 . 396 . 1 1 15 ILE CG2 C 3.151 5.206 -2.373 . . . 1.0 . . . . . . . . . . . . A . 15 ILE CG2 . . . . . . . . . c19501_2mdq 1 . 2 . 397 . 1 1 15 ILE H H 5.869 2.528 -0.705 . . . 1.0 . . . . . . . . . . . . A . 15 ILE H . . . . . . . . . c19501_2mdq 1 . 2 . 398 . 1 1 15 ILE HA H 5.369 5.418 -0.829 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HA . . . . . . . . . c19501_2mdq 1 . 2 . 399 . 1 1 15 ILE HB H 3.648 3.194 -1.975 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HB . . . . . . . . . c19501_2mdq 1 . 2 . 400 . 1 1 15 ILE HD11 H 3.921 2.917 -4.622 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HD11 . . . . . . . . . c19501_2mdq 1 . 2 . 401 . 1 1 15 ILE HD12 H 5.286 3.736 -5.382 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HD12 . . . . . . . . . c19501_2mdq 1 . 2 . 402 . 1 1 15 ILE HD13 H 3.890 4.668 -4.840 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HD13 . . . . . . . . . c19501_2mdq 1 . 2 . 403 . 1 1 15 ILE HG12 H 5.802 4.869 -3.306 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HG12 . . . . . . . . . c19501_2mdq 1 . 2 . 404 . 1 1 15 ILE HG13 H 5.780 3.126 -3.078 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HG13 . . . . . . . . . c19501_2mdq 1 . 2 . 405 . 1 1 15 ILE HG21 H 2.446 5.249 -1.557 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HG21 . . . . . . . . . c19501_2mdq 1 . 2 . 406 . 1 1 15 ILE HG22 H 2.633 4.984 -3.294 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HG22 . . . . . . . . . c19501_2mdq 1 . 2 . 407 . 1 1 15 ILE HG23 H 3.658 6.154 -2.461 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HG23 . . . . . . . . . c19501_2mdq 1 . 2 . 408 . 1 1 15 ILE N N 6.005 3.485 -0.536 . . . 1.0 . . . . . . . . . . . . A . 15 ILE N . . . . . . . . . c19501_2mdq 1 . 2 . 409 . 1 1 15 ILE O O 3.501 5.416 0.883 . . . 1.0 . . . . . . . . . . . . A . 15 ILE O . . . . . . . . . c19501_2mdq 1 . 2 . 410 . 1 1 16 CYS C C 3.487 2.176 2.999 . . . 1.0 . . . . . . . . . . . . A . 16 CYS C . . . . . . . . . c19501_2mdq 1 . 2 . 411 . 1 1 16 CYS CA C 2.813 2.964 1.877 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CA . . . . . . . . . c19501_2mdq 1 . 2 . 412 . 1 1 16 CYS CB C 1.643 2.219 1.315 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CB . . . . . . . . . c19501_2mdq 1 . 2 . 413 . 1 1 16 CYS H H 4.176 2.431 0.444 . . . 1.0 . . . . . . . . . . . . A . 16 CYS H . . . . . . . . . c19501_2mdq 1 . 2 . 414 . 1 1 16 CYS HA H 2.462 3.906 2.253 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HA . . . . . . . . . c19501_2mdq 1 . 2 . 415 . 1 1 16 CYS HB2 H 2.048 1.295 0.951 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB2 . . . . . . . . . c19501_2mdq 1 . 2 . 416 . 1 1 16 CYS HB3 H 0.932 2.021 2.100 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB3 . . . . . . . . . c19501_2mdq 1 . 2 . 417 . 1 1 16 CYS N N 3.727 3.209 0.837 . . . 1.0 . . . . . . . . . . . . A . 16 CYS N . . . . . . . . . c19501_2mdq 1 . 2 . 418 . 1 1 16 CYS O O 3.812 2.731 4.056 . . . 1.0 . . . . . . . . . . . . A . 16 CYS O . . . . . . . . . c19501_2mdq 1 . 2 . 419 . 1 1 16 CYS SG S 0.794 3.055 -0.071 . . . 1.0 . . . . . . . . . . . . A . 16 CYS SG . . . . . . . . . c19501_2mdq 1 . 2 . 420 . 1 1 17 NH2 HN1 H 3.427 0.492 1.936 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 HN1 . . . . . . . . . c19501_2mdq 1 . 2 . 421 . 1 1 17 NH2 HN2 H 4.128 0.386 3.508 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 HN2 . . . . . . . . . c19501_2mdq 1 . 2 . 422 . 1 1 17 NH2 N N 3.700 0.896 2.790 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 N . . . . . . . . . c19501_2mdq 1 . 3 . 423 . 1 1 1 GLY C C -3.756 3.997 -3.763 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c19501_2mdq 1 . 3 . 424 . 1 1 1 GLY CA C -3.587 5.237 -4.607 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c19501_2mdq 1 . 3 . 425 . 1 1 1 GLY H1 H -4.454 7.129 -4.798 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c19501_2mdq 1 . 3 . 426 . 1 1 1 GLY H2 H -4.310 6.569 -3.210 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H2 . . . . . . . . . c19501_2mdq 1 . 3 . 427 . 1 1 1 GLY H3 H -5.489 5.935 -4.196 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H3 . . . . . . . . . c19501_2mdq 1 . 3 . 428 . 1 1 1 GLY HA2 H -3.770 4.984 -5.639 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c19501_2mdq 1 . 3 . 429 . 1 1 1 GLY HA3 H -2.579 5.607 -4.503 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c19501_2mdq 1 . 3 . 430 . 1 1 1 GLY N N -4.513 6.288 -4.190 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c19501_2mdq 1 . 3 . 431 . 1 1 1 GLY O O -4.619 3.963 -2.870 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c19501_2mdq 1 . 3 . 432 . 1 1 2 CYS C C -2.800 1.726 -1.854 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . c19501_2mdq 1 . 3 . 433 . 1 1 2 CYS CA C -2.976 1.709 -3.343 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . c19501_2mdq 1 . 3 . 434 . 1 1 2 CYS CB C -1.995 0.785 -3.933 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . c19501_2mdq 1 . 3 . 435 . 1 1 2 CYS H H -2.205 3.090 -4.672 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . c19501_2mdq 1 . 3 . 436 . 1 1 2 CYS HA H -3.943 1.305 -3.563 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . c19501_2mdq 1 . 3 . 437 . 1 1 2 CYS HB2 H -1.187 1.437 -4.216 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . c19501_2mdq 1 . 3 . 438 . 1 1 2 CYS HB3 H -1.655 0.089 -3.187 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . c19501_2mdq 1 . 3 . 439 . 1 1 2 CYS N N -2.920 2.998 -4.005 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . c19501_2mdq 1 . 3 . 440 . 1 1 2 CYS O O -3.149 0.780 -1.195 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . c19501_2mdq 1 . 3 . 441 . 1 1 2 CYS SG S -2.548 -0.088 -5.413 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . c19501_2mdq 1 . 3 . 442 . 1 1 3 CYS C C -3.393 2.895 0.876 . . . 1.0 . . . . . . . . . . . . A . 3 CYS C . . . . . . . . . c19501_2mdq 1 . 3 . 443 . 1 1 3 CYS CA C -2.095 2.852 0.095 . . . 1.0 . . . . . . . . . . . . A . 3 CYS CA . . . . . . . . . c19501_2mdq 1 . 3 . 444 . 1 1 3 CYS CB C -1.149 3.938 0.477 . . . 1.0 . . . . . . . . . . . . A . 3 CYS CB . . . . . . . . . c19501_2mdq 1 . 3 . 445 . 1 1 3 CYS H H -1.957 3.479 -1.912 . . . 1.0 . . . . . . . . . . . . A . 3 CYS H . . . . . . . . . c19501_2mdq 1 . 3 . 446 . 1 1 3 CYS HA H -1.647 1.908 0.356 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HA . . . . . . . . . c19501_2mdq 1 . 3 . 447 . 1 1 3 CYS HB2 H -1.270 4.740 -0.238 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HB2 . . . . . . . . . c19501_2mdq 1 . 3 . 448 . 1 1 3 CYS HB3 H -1.456 4.276 1.448 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HB3 . . . . . . . . . c19501_2mdq 1 . 3 . 449 . 1 1 3 CYS N N -2.273 2.762 -1.326 . . . 1.0 . . . . . . . . . . . . A . 3 CYS N . . . . . . . . . c19501_2mdq 1 . 3 . 450 . 1 1 3 CYS O O -3.468 2.419 1.998 . . . 1.0 . . . . . . . . . . . . A . 3 CYS O . . . . . . . . . c19501_2mdq 1 . 3 . 451 . 1 1 3 CYS SG S 0.594 3.409 0.470 . . . 1.0 . . . . . . . . . . . . A . 3 CYS SG . . . . . . . . . c19501_2mdq 1 . 3 . 452 . 1 1 4 SER C C -6.407 2.007 0.669 . . . 1.0 . . . . . . . . . . . . A . 4 SER C . . . . . . . . . c19501_2mdq 1 . 3 . 453 . 1 1 4 SER CA C -5.728 3.375 0.885 . . . 1.0 . . . . . . . . . . . . A . 4 SER CA . . . . . . . . . c19501_2mdq 1 . 3 . 454 . 1 1 4 SER CB C -6.579 4.502 0.339 . . . 1.0 . . . . . . . . . . . . A . 4 SER CB . . . . . . . . . c19501_2mdq 1 . 3 . 455 . 1 1 4 SER H H -4.229 3.820 -0.589 . . . 1.0 . . . . . . . . . . . . A . 4 SER H . . . . . . . . . c19501_2mdq 1 . 3 . 456 . 1 1 4 SER HA H -5.584 3.518 1.946 . . . 1.0 . . . . . . . . . . . . A . 4 SER HA . . . . . . . . . c19501_2mdq 1 . 3 . 457 . 1 1 4 SER HB2 H -6.679 4.385 -0.730 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB2 . . . . . . . . . c19501_2mdq 1 . 3 . 458 . 1 1 4 SER HB3 H -7.554 4.479 0.803 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB3 . . . . . . . . . c19501_2mdq 1 . 3 . 459 . 1 1 4 SER HG H -6.108 5.905 1.561 . . . 1.0 . . . . . . . . . . . . A . 4 SER HG . . . . . . . . . c19501_2mdq 1 . 3 . 460 . 1 1 4 SER N N -4.407 3.398 0.275 . . . 1.0 . . . . . . . . . . . . A . 4 SER N . . . . . . . . . c19501_2mdq 1 . 3 . 461 . 1 1 4 SER O O -7.547 1.790 1.059 . . . 1.0 . . . . . . . . . . . . A . 4 SER O . . . . . . . . . c19501_2mdq 1 . 3 . 462 . 1 1 4 SER OG O -5.967 5.759 0.613 . . . 1.0 . . . . . . . . . . . . A . 4 SER OG . . . . . . . . . c19501_2mdq 1 . 3 . 463 . 1 1 5 HIS C C -5.238 -1.199 0.555 . . . 1.0 . . . . . . . . . . . . A . 5 HIS C . . . . . . . . . c19501_2mdq 1 . 3 . 464 . 1 1 5 HIS CA C -6.136 -0.236 -0.202 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CA . . . . . . . . . c19501_2mdq 1 . 3 . 465 . 1 1 5 HIS CB C -6.050 -0.530 -1.707 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CB . . . . . . . . . c19501_2mdq 1 . 3 . 466 . 1 1 5 HIS CD2 C -6.806 1.541 -3.073 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CD2 . . . . . . . . . c19501_2mdq 1 . 3 . 467 . 1 1 5 HIS CE1 C -8.740 0.817 -3.733 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CE1 . . . . . . . . . c19501_2mdq 1 . 3 . 468 . 1 1 5 HIS CG C -6.966 0.295 -2.560 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CG . . . . . . . . . c19501_2mdq 1 . 3 . 469 . 1 1 5 HIS H H -4.758 1.306 -0.203 . . . 1.0 . . . . . . . . . . . . A . 5 HIS H . . . . . . . . . c19501_2mdq 1 . 3 . 470 . 1 1 5 HIS HA H -7.159 -0.333 0.129 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HA . . . . . . . . . c19501_2mdq 1 . 3 . 471 . 1 1 5 HIS HB2 H -5.037 -0.304 -2.009 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB2 . . . . . . . . . c19501_2mdq 1 . 3 . 472 . 1 1 5 HIS HB3 H -6.249 -1.575 -1.888 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB3 . . . . . . . . . c19501_2mdq 1 . 3 . 473 . 1 1 5 HIS HD1 H -8.605 -1.000 -2.767 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD1 . . . . . . . . . c19501_2mdq 1 . 3 . 474 . 1 1 5 HIS HD2 H -5.946 2.180 -2.928 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD2 . . . . . . . . . c19501_2mdq 1 . 3 . 475 . 1 1 5 HIS HE1 H -9.712 0.736 -4.198 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HE1 . . . . . . . . . c19501_2mdq 1 . 3 . 476 . 1 1 5 HIS N N -5.679 1.100 0.066 . . . 1.0 . . . . . . . . . . . . A . 5 HIS N . . . . . . . . . c19501_2mdq 1 . 3 . 477 . 1 1 5 HIS ND1 N -8.192 -0.135 -2.989 . . . 1.0 . . . . . . . . . . . . A . 5 HIS ND1 . . . . . . . . . c19501_2mdq 1 . 3 . 478 . 1 1 5 HIS NE2 N -7.935 1.874 -3.819 . . . 1.0 . . . . . . . . . . . . A . 5 HIS NE2 . . . . . . . . . c19501_2mdq 1 . 3 . 479 . 1 1 5 HIS O O -4.117 -1.422 0.146 . . . 1.0 . . . . . . . . . . . . A . 5 HIS O . . . . . . . . . c19501_2mdq 1 . 3 . 480 . 1 1 6 PRO C C -4.103 -3.717 1.808 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . c19501_2mdq 1 . 3 . 481 . 1 1 6 PRO CA C -4.915 -2.651 2.563 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . c19501_2mdq 1 . 3 . 482 . 1 1 6 PRO CB C -5.984 -3.309 3.428 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . c19501_2mdq 1 . 3 . 483 . 1 1 6 PRO CD C -7.079 -1.562 2.217 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . c19501_2mdq 1 . 3 . 484 . 1 1 6 PRO CG C -7.045 -2.273 3.541 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . c19501_2mdq 1 . 3 . 485 . 1 1 6 PRO HA H -4.247 -2.081 3.193 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . c19501_2mdq 1 . 3 . 486 . 1 1 6 PRO HB2 H -6.344 -4.202 2.939 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB2 . . . . . . . . . c19501_2mdq 1 . 3 . 487 . 1 1 6 PRO HB3 H -5.571 -3.558 4.394 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . c19501_2mdq 1 . 3 . 488 . 1 1 6 PRO HD2 H -7.817 -2.009 1.568 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD2 . . . . . . . . . c19501_2mdq 1 . 3 . 489 . 1 1 6 PRO HD3 H -7.289 -0.512 2.361 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . c19501_2mdq 1 . 3 . 490 . 1 1 6 PRO HG2 H -7.999 -2.740 3.738 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG2 . . . . . . . . . c19501_2mdq 1 . 3 . 491 . 1 1 6 PRO HG3 H -6.797 -1.579 4.331 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . c19501_2mdq 1 . 3 . 492 . 1 1 6 PRO N N -5.712 -1.756 1.685 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . c19501_2mdq 1 . 3 . 493 . 1 1 6 PRO O O -2.920 -3.923 2.083 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . c19501_2mdq 1 . 3 . 494 . 1 1 7 ALA C C -2.998 -4.876 -0.878 . . . 1.0 . . . . . . . . . . . . A . 7 ALA C . . . . . . . . . c19501_2mdq 1 . 3 . 495 . 1 1 7 ALA CA C -4.081 -5.398 0.073 . . . 1.0 . . . . . . . . . . . . A . 7 ALA CA . . . . . . . . . c19501_2mdq 1 . 3 . 496 . 1 1 7 ALA CB C -5.107 -6.218 -0.679 . . . 1.0 . . . . . . . . . . . . A . 7 ALA CB . . . . . . . . . c19501_2mdq 1 . 3 . 497 . 1 1 7 ALA H H -5.640 -4.072 0.603 . . . 1.0 . . . . . . . . . . . . A . 7 ALA H . . . . . . . . . c19501_2mdq 1 . 3 . 498 . 1 1 7 ALA HA H -3.603 -6.045 0.792 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HA . . . . . . . . . c19501_2mdq 1 . 3 . 499 . 1 1 7 ALA HB1 H -4.626 -7.070 -1.135 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB1 . . . . . . . . . c19501_2mdq 1 . 3 . 500 . 1 1 7 ALA HB2 H -5.556 -5.607 -1.448 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB2 . . . . . . . . . c19501_2mdq 1 . 3 . 501 . 1 1 7 ALA HB3 H -5.871 -6.556 0.005 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB3 . . . . . . . . . c19501_2mdq 1 . 3 . 502 . 1 1 7 ALA N N -4.722 -4.341 0.829 . . . 1.0 . . . . . . . . . . . . A . 7 ALA N . . . . . . . . . c19501_2mdq 1 . 3 . 503 . 1 1 7 ALA O O -2.033 -5.566 -1.158 . . . 1.0 . . . . . . . . . . . . A . 7 ALA O . . . . . . . . . c19501_2mdq 1 . 3 . 504 . 1 1 8 CYS C C -1.244 -2.137 -1.579 . . . 1.0 . . . . . . . . . . . . A . 8 CYS C . . . . . . . . . c19501_2mdq 1 . 3 . 505 . 1 1 8 CYS CA C -2.201 -3.089 -2.309 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CA . . . . . . . . . c19501_2mdq 1 . 3 . 506 . 1 1 8 CYS CB C -2.994 -2.328 -3.381 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CB . . . . . . . . . c19501_2mdq 1 . 3 . 507 . 1 1 8 CYS H H -3.883 -3.100 -1.010 . . . 1.0 . . . . . . . . . . . . A . 8 CYS H . . . . . . . . . c19501_2mdq 1 . 3 . 508 . 1 1 8 CYS HA H -1.642 -3.891 -2.767 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HA . . . . . . . . . c19501_2mdq 1 . 3 . 509 . 1 1 8 CYS HB2 H -3.905 -2.863 -3.601 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB2 . . . . . . . . . c19501_2mdq 1 . 3 . 510 . 1 1 8 CYS HB3 H -3.245 -1.370 -2.942 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB3 . . . . . . . . . c19501_2mdq 1 . 3 . 511 . 1 1 8 CYS N N -3.141 -3.656 -1.335 . . . 1.0 . . . . . . . . . . . . A . 8 CYS N . . . . . . . . . c19501_2mdq 1 . 3 . 512 . 1 1 8 CYS O O -0.402 -1.469 -2.170 . . . 1.0 . . . . . . . . . . . . A . 8 CYS O . . . . . . . . . c19501_2mdq 1 . 3 . 513 . 1 1 8 CYS SG S -2.108 -2.016 -4.966 . . . 1.0 . . . . . . . . . . . . A . 8 CYS SG . . . . . . . . . c19501_2mdq 1 . 3 . 514 . 1 1 9 ASN C C 0.758 -1.751 0.784 . . . 1.0 . . . . . . . . . . . . A . 9 ASN C . . . . . . . . . c19501_2mdq 1 . 3 . 515 . 1 1 9 ASN CA C -0.631 -1.223 0.581 . . . 1.0 . . . . . . . . . . . . A . 9 ASN CA . . . . . . . . . c19501_2mdq 1 . 3 . 516 . 1 1 9 ASN CB C -1.330 -1.164 1.917 . . . 1.0 . . . . . . . . . . . . A . 9 ASN CB . . . . . . . . . c19501_2mdq 1 . 3 . 517 . 1 1 9 ASN CG C -0.749 -0.155 2.865 . . . 1.0 . . . . . . . . . . . . A . 9 ASN CG . . . . . . . . . c19501_2mdq 1 . 3 . 518 . 1 1 9 ASN H H -2.055 -2.705 0.113 . . . 1.0 . . . . . . . . . . . . A . 9 ASN H . . . . . . . . . c19501_2mdq 1 . 3 . 519 . 1 1 9 ASN HA H -0.609 -0.229 0.168 . . . 1.0 . . . . . . . . . . . . A . 9 ASN HA . . . . . . . . . c19501_2mdq 1 . 3 . 520 . 1 1 9 ASN HB2 H -2.381 -0.981 1.766 . . . 1.0 . . . . . . . . . . . . A . 9 ASN HB2 . . . . . . . . . c19501_2mdq 1 . 3 . 521 . 1 1 9 ASN HB3 H -1.213 -2.145 2.345 . . . 1.0 . . . . . . . . . . . . A . 9 ASN HB3 . . . . . . . . . c19501_2mdq 1 . 3 . 522 . 1 1 9 ASN HD21 H -2.023 1.180 2.220 . . . 1.0 . . . . . . . . . . . . A . 9 ASN HD21 . . . . . . . . . c19501_2mdq 1 . 3 . 523 . 1 1 9 ASN HD22 H -0.932 1.704 3.451 . . . 1.0 . . . . . . . . . . . . A . 9 ASN HD22 . . . . . . . . . c19501_2mdq 1 . 3 . 524 . 1 1 9 ASN N N -1.386 -2.108 -0.282 . . . 1.0 . . . . . . . . . . . . A . 9 ASN N . . . . . . . . . c19501_2mdq 1 . 3 . 525 . 1 1 9 ASN ND2 N -1.280 1.015 2.842 . . . 1.0 . . . . . . . . . . . . A . 9 ASN ND2 . . . . . . . . . c19501_2mdq 1 . 3 . 526 . 1 1 9 ASN O O 1.759 -1.023 0.684 . . . 1.0 . . . . . . . . . . . . A . 9 ASN O . . . . . . . . . c19501_2mdq 1 . 3 . 527 . 1 1 9 ASN OD1 O 0.152 -0.450 3.636 . . . 1.0 . . . . . . . . . . . . A . 9 ASN OD1 . . . . . . . . . c19501_2mdq 1 . 3 . 528 . 1 1 10 VAL C C 3.052 -3.719 0.180 . . . 1.0 . . . . . . . . . . . . A . 10 VAL C . . . . . . . . . c19501_2mdq 1 . 3 . 529 . 1 1 10 VAL CA C 2.031 -3.745 1.348 . . . 1.0 . . . . . . . . . . . . A . 10 VAL CA . . . . . . . . . c19501_2mdq 1 . 3 . 530 . 1 1 10 VAL CB C 1.719 -5.209 1.796 . . . 1.0 . . . . . . . . . . . . A . 10 VAL CB . . . . . . . . . c19501_2mdq 1 . 3 . 531 . 1 1 10 VAL CG1 C 1.066 -6.022 0.683 . . . 1.0 . . . . . . . . . . . . A . 10 VAL CG1 . . . . . . . . . c19501_2mdq 1 . 3 . 532 . 1 1 10 VAL CG2 C 2.958 -5.908 2.337 . . . 1.0 . . . . . . . . . . . . A . 10 VAL CG2 . . . . . . . . . c19501_2mdq 1 . 3 . 533 . 1 1 10 VAL H H -0.056 -3.506 1.025 . . . 1.0 . . . . . . . . . . . . A . 10 VAL H . . . . . . . . . c19501_2mdq 1 . 3 . 534 . 1 1 10 VAL HA H 2.480 -3.231 2.185 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HA . . . . . . . . . c19501_2mdq 1 . 3 . 535 . 1 1 10 VAL HB H 0.994 -5.143 2.595 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HB . . . . . . . . . c19501_2mdq 1 . 3 . 536 . 1 1 10 VAL HG11 H 0.874 -7.026 1.032 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG11 . . . . . . . . . c19501_2mdq 1 . 3 . 537 . 1 1 10 VAL HG12 H 1.729 -6.057 -0.170 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG12 . . . . . . . . . c19501_2mdq 1 . 3 . 538 . 1 1 10 VAL HG13 H 0.136 -5.556 0.394 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG13 . . . . . . . . . c19501_2mdq 1 . 3 . 539 . 1 1 10 VAL HG21 H 2.712 -6.918 2.623 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG21 . . . . . . . . . c19501_2mdq 1 . 3 . 540 . 1 1 10 VAL HG22 H 3.331 -5.368 3.195 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG22 . . . . . . . . . c19501_2mdq 1 . 3 . 541 . 1 1 10 VAL HG23 H 3.717 -5.924 1.569 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG23 . . . . . . . . . c19501_2mdq 1 . 3 . 542 . 1 1 10 VAL N N 0.804 -3.033 1.036 . . . 1.0 . . . . . . . . . . . . A . 10 VAL N . . . . . . . . . c19501_2mdq 1 . 3 . 543 . 1 1 10 VAL O O 4.260 -3.793 0.399 . . . 1.0 . . . . . . . . . . . . A . 10 VAL O . . . . . . . . . c19501_2mdq 1 . 3 . 544 . 1 1 11 ASP C C 4.001 -2.191 -2.568 . . . 1.0 . . . . . . . . . . . . A . 11 ASP C . . . . . . . . . c19501_2mdq 1 . 3 . 545 . 1 1 11 ASP CA C 3.483 -3.579 -2.186 . . . 1.0 . . . . . . . . . . . . A . 11 ASP CA . . . . . . . . . c19501_2mdq 1 . 3 . 546 . 1 1 11 ASP CB C 2.921 -4.345 -3.402 . . . 1.0 . . . . . . . . . . . . A . 11 ASP CB . . . . . . . . . c19501_2mdq 1 . 3 . 547 . 1 1 11 ASP CG C 1.641 -3.794 -3.972 . . . 1.0 . . . . . . . . . . . . A . 11 ASP CG . . . . . . . . . c19501_2mdq 1 . 3 . 548 . 1 1 11 ASP H H 1.617 -3.434 -1.191 . . . 1.0 . . . . . . . . . . . . A . 11 ASP H . . . . . . . . . c19501_2mdq 1 . 3 . 549 . 1 1 11 ASP HA H 4.351 -4.116 -1.830 . . . 1.0 . . . . . . . . . . . . A . 11 ASP HA . . . . . . . . . c19501_2mdq 1 . 3 . 550 . 1 1 11 ASP HB2 H 3.657 -4.331 -4.190 . . . 1.0 . . . . . . . . . . . . A . 11 ASP HB2 . . . . . . . . . c19501_2mdq 1 . 3 . 551 . 1 1 11 ASP HB3 H 2.752 -5.371 -3.110 . . . 1.0 . . . . . . . . . . . . A . 11 ASP HB3 . . . . . . . . . c19501_2mdq 1 . 3 . 552 . 1 1 11 ASP N N 2.578 -3.564 -1.044 . . . 1.0 . . . . . . . . . . . . A . 11 ASP N . . . . . . . . . c19501_2mdq 1 . 3 . 553 . 1 1 11 ASP O O 4.590 -2.012 -3.639 . . . 1.0 . . . . . . . . . . . . A . 11 ASP O . . . . . . . . . c19501_2mdq 1 . 3 . 554 . 1 1 11 ASP OD1 O 1.696 -2.950 -4.892 . . . 1.0 . . . . . . . . . . . . A . 11 ASP OD1 . . . . . . . . . c19501_2mdq 1 . 3 . 555 . 1 1 11 ASP OD2 O 0.568 -4.256 -3.566 . . . 1.0 . . . . . . . . . . . . A . 11 ASP OD2 . . . . . . . . . c19501_2mdq 1 . 3 . 556 . 1 1 12 HIS C C 5.470 0.260 -0.755 . . . 1.0 . . . . . . . . . . . . A . 12 HIS C . . . . . . . . . c19501_2mdq 1 . 3 . 557 . 1 1 12 HIS CA C 4.416 0.084 -1.837 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CA . . . . . . . . . c19501_2mdq 1 . 3 . 558 . 1 1 12 HIS CB C 3.400 1.199 -1.714 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CB . . . . . . . . . c19501_2mdq 1 . 3 . 559 . 1 1 12 HIS CD2 C 1.477 0.822 -3.384 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CD2 . . . . . . . . . c19501_2mdq 1 . 3 . 560 . 1 1 12 HIS CE1 C 1.869 2.470 -4.734 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CE1 . . . . . . . . . c19501_2mdq 1 . 3 . 561 . 1 1 12 HIS CG C 2.569 1.459 -2.920 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CG . . . . . . . . . c19501_2mdq 1 . 3 . 562 . 1 1 12 HIS H H 3.225 -1.333 -0.911 . . . 1.0 . . . . . . . . . . . . A . 12 HIS H . . . . . . . . . c19501_2mdq 1 . 3 . 563 . 1 1 12 HIS HA H 4.877 0.131 -2.809 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HA . . . . . . . . . c19501_2mdq 1 . 3 . 564 . 1 1 12 HIS HB2 H 2.741 0.925 -0.910 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HB2 . . . . . . . . . c19501_2mdq 1 . 3 . 565 . 1 1 12 HIS HB3 H 3.933 2.091 -1.438 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HB3 . . . . . . . . . c19501_2mdq 1 . 3 . 566 . 1 1 12 HIS HD1 H 3.529 3.157 -3.734 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HD1 . . . . . . . . . c19501_2mdq 1 . 3 . 567 . 1 1 12 HIS HD2 H 1.012 -0.048 -2.938 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HD2 . . . . . . . . . c19501_2mdq 1 . 3 . 568 . 1 1 12 HIS HE1 H 1.809 3.170 -5.554 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HE1 . . . . . . . . . c19501_2mdq 1 . 3 . 569 . 1 1 12 HIS N N 3.803 -1.216 -1.694 . . . 1.0 . . . . . . . . . . . . A . 12 HIS N . . . . . . . . . c19501_2mdq 1 . 3 . 570 . 1 1 12 HIS ND1 N 2.801 2.499 -3.791 . . . 1.0 . . . . . . . . . . . . A . 12 HIS ND1 . . . . . . . . . c19501_2mdq 1 . 3 . 571 . 1 1 12 HIS NE2 N 1.033 1.471 -4.540 . . . 1.0 . . . . . . . . . . . . A . 12 HIS NE2 . . . . . . . . . c19501_2mdq 1 . 3 . 572 . 1 1 12 HIS O O 5.183 0.842 0.292 . . . 1.0 . . . . . . . . . . . . A . 12 HIS O . . . . . . . . . c19501_2mdq 1 . 3 . 573 . 1 1 13 PRO C C 8.255 1.131 0.438 . . . 1.0 . . . . . . . . . . . . A . 13 PRO C . . . . . . . . . c19501_2mdq 1 . 3 . 574 . 1 1 13 PRO CA C 7.740 -0.246 0.070 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CA . . . . . . . . . c19501_2mdq 1 . 3 . 575 . 1 1 13 PRO CB C 8.863 -1.112 -0.518 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CB . . . . . . . . . c19501_2mdq 1 . 3 . 576 . 1 1 13 PRO CD C 7.206 -0.806 -2.225 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CD . . . . . . . . . c19501_2mdq 1 . 3 . 577 . 1 1 13 PRO CG C 8.296 -1.721 -1.762 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CG . . . . . . . . . c19501_2mdq 1 . 3 . 578 . 1 1 13 PRO HA H 7.368 -0.701 0.968 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HA . . . . . . . . . c19501_2mdq 1 . 3 . 579 . 1 1 13 PRO HB2 H 9.714 -0.485 -0.740 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HB2 . . . . . . . . . c19501_2mdq 1 . 3 . 580 . 1 1 13 PRO HB3 H 9.150 -1.869 0.195 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HB3 . . . . . . . . . c19501_2mdq 1 . 3 . 581 . 1 1 13 PRO HD2 H 7.605 -0.032 -2.864 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HD2 . . . . . . . . . c19501_2mdq 1 . 3 . 582 . 1 1 13 PRO HD3 H 6.433 -1.364 -2.731 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HD3 . . . . . . . . . c19501_2mdq 1 . 3 . 583 . 1 1 13 PRO HG2 H 9.065 -1.795 -2.517 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HG2 . . . . . . . . . c19501_2mdq 1 . 3 . 584 . 1 1 13 PRO HG3 H 7.898 -2.699 -1.542 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HG3 . . . . . . . . . c19501_2mdq 1 . 3 . 585 . 1 1 13 PRO N N 6.704 -0.236 -0.969 . . . 1.0 . . . . . . . . . . . . A . 13 PRO N . . . . . . . . . c19501_2mdq 1 . 3 . 586 . 1 1 13 PRO O O 8.685 1.369 1.566 . . . 1.0 . . . . . . . . . . . . A . 13 PRO O . . . . . . . . . c19501_2mdq 1 . 3 . 587 . 1 1 14 GLU C C 7.572 4.287 0.165 . . . 1.0 . . . . . . . . . . . . A . 14 GLU C . . . . . . . . . c19501_2mdq 1 . 3 . 588 . 1 1 14 GLU CA C 8.665 3.334 -0.299 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CA . . . . . . . . . c19501_2mdq 1 . 3 . 589 . 1 1 14 GLU CB C 9.308 3.846 -1.587 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CB . . . . . . . . . c19501_2mdq 1 . 3 . 590 . 1 1 14 GLU CD C 7.900 2.728 -3.389 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CD . . . . . . . . . c19501_2mdq 1 . 3 . 591 . 1 1 14 GLU CG C 8.387 4.017 -2.800 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CG . . . . . . . . . c19501_2mdq 1 . 3 . 592 . 1 1 14 GLU H H 7.761 1.812 -1.341 . . . 1.0 . . . . . . . . . . . . A . 14 GLU H . . . . . . . . . c19501_2mdq 1 . 3 . 593 . 1 1 14 GLU HA H 9.431 3.291 0.459 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HA . . . . . . . . . c19501_2mdq 1 . 3 . 594 . 1 1 14 GLU HB2 H 9.679 4.820 -1.339 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HB2 . . . . . . . . . c19501_2mdq 1 . 3 . 595 . 1 1 14 GLU HB3 H 10.135 3.205 -1.857 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HB3 . . . . . . . . . c19501_2mdq 1 . 3 . 596 . 1 1 14 GLU HG2 H 7.523 4.587 -2.492 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HG2 . . . . . . . . . c19501_2mdq 1 . 3 . 597 . 1 1 14 GLU HG3 H 8.913 4.573 -3.561 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HG3 . . . . . . . . . c19501_2mdq 1 . 3 . 598 . 1 1 14 GLU N N 8.170 2.027 -0.480 . . . 1.0 . . . . . . . . . . . . A . 14 GLU N . . . . . . . . . c19501_2mdq 1 . 3 . 599 . 1 1 14 GLU O O 7.815 5.478 0.329 . . . 1.0 . . . . . . . . . . . . A . 14 GLU O . . . . . . . . . c19501_2mdq 1 . 3 . 600 . 1 1 14 GLU OE1 O 8.632 2.108 -4.166 . . . 1.0 . . . . . . . . . . . . A . 14 GLU OE1 . . . . . . . . . c19501_2mdq 1 . 3 . 601 . 1 1 14 GLU OE2 O 6.765 2.319 -3.086 . . . 1.0 . . . . . . . . . . . . A . 14 GLU OE2 . . . . . . . . . c19501_2mdq 1 . 3 . 602 . 1 1 15 ILE C C 4.701 4.050 2.085 . . . 1.0 . . . . . . . . . . . . A . 15 ILE C . . . . . . . . . c19501_2mdq 1 . 3 . 603 . 1 1 15 ILE CA C 5.267 4.611 0.799 . . . 1.0 . . . . . . . . . . . . A . 15 ILE CA . . . . . . . . . c19501_2mdq 1 . 3 . 604 . 1 1 15 ILE CB C 4.114 4.706 -0.257 . . . 1.0 . . . . . . . . . . . . A . 15 ILE CB . . . . . . . . . c19501_2mdq 1 . 3 . 605 . 1 1 15 ILE CD1 C 5.291 6.441 -1.759 . . . 1.0 . . . . . . . . . . . . A . 15 ILE CD1 . . . . . . . . . c19501_2mdq 1 . 3 . 606 . 1 1 15 ILE CG1 C 4.638 5.076 -1.658 . . . 1.0 . . . . . . . . . . . . A . 15 ILE CG1 . . . . . . . . . c19501_2mdq 1 . 3 . 607 . 1 1 15 ILE CG2 C 3.071 5.732 0.189 . . . 1.0 . . . . . . . . . . . . A . 15 ILE CG2 . . . . . . . . . c19501_2mdq 1 . 3 . 608 . 1 1 15 ILE H H 6.240 2.813 0.218 . . . 1.0 . . . . . . . . . . . . A . 15 ILE H . . . . . . . . . c19501_2mdq 1 . 3 . 609 . 1 1 15 ILE HA H 5.646 5.599 0.998 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HA . . . . . . . . . c19501_2mdq 1 . 3 . 610 . 1 1 15 ILE HB H 3.623 3.745 -0.301 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HB . . . . . . . . . c19501_2mdq 1 . 3 . 611 . 1 1 15 ILE HD11 H 6.135 6.480 -1.087 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HD11 . . . . . . . . . c19501_2mdq 1 . 3 . 612 . 1 1 15 ILE HD12 H 4.572 7.199 -1.483 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HD12 . . . . . . . . . c19501_2mdq 1 . 3 . 613 . 1 1 15 ILE HD13 H 5.624 6.605 -2.774 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HD13 . . . . . . . . . c19501_2mdq 1 . 3 . 614 . 1 1 15 ILE HG12 H 5.374 4.344 -1.956 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HG12 . . . . . . . . . c19501_2mdq 1 . 3 . 615 . 1 1 15 ILE HG13 H 3.814 5.046 -2.356 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HG13 . . . . . . . . . c19501_2mdq 1 . 3 . 616 . 1 1 15 ILE HG21 H 3.541 6.700 0.284 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HG21 . . . . . . . . . c19501_2mdq 1 . 3 . 617 . 1 1 15 ILE HG22 H 2.660 5.437 1.144 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HG22 . . . . . . . . . c19501_2mdq 1 . 3 . 618 . 1 1 15 ILE HG23 H 2.279 5.786 -0.543 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HG23 . . . . . . . . . c19501_2mdq 1 . 3 . 619 . 1 1 15 ILE N N 6.371 3.775 0.359 . . . 1.0 . . . . . . . . . . . . A . 15 ILE N . . . . . . . . . c19501_2mdq 1 . 3 . 620 . 1 1 15 ILE O O 4.774 4.668 3.152 . . . 1.0 . . . . . . . . . . . . A . 15 ILE O . . . . . . . . . c19501_2mdq 1 . 3 . 621 . 1 1 16 CYS C C 4.264 0.898 3.443 . . . 1.0 . . . . . . . . . . . . A . 16 CYS C . . . . . . . . . c19501_2mdq 1 . 3 . 622 . 1 1 16 CYS CA C 3.553 2.208 3.080 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CA . . . . . . . . . c19501_2mdq 1 . 3 . 623 . 1 1 16 CYS CB C 2.109 1.974 2.720 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CB . . . . . . . . . c19501_2mdq 1 . 3 . 624 . 1 1 16 CYS H H 4.267 2.385 1.140 . . . 1.0 . . . . . . . . . . . . A . 16 CYS H . . . . . . . . . c19501_2mdq 1 . 3 . 625 . 1 1 16 CYS HA H 3.580 2.872 3.923 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HA . . . . . . . . . c19501_2mdq 1 . 3 . 626 . 1 1 16 CYS HB2 H 2.142 1.423 1.799 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB2 . . . . . . . . . c19501_2mdq 1 . 3 . 627 . 1 1 16 CYS HB3 H 1.633 1.384 3.486 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB3 . . . . . . . . . c19501_2mdq 1 . 3 . 628 . 1 1 16 CYS N N 4.198 2.866 1.990 . . . 1.0 . . . . . . . . . . . . A . 16 CYS N . . . . . . . . . c19501_2mdq 1 . 3 . 629 . 1 1 16 CYS O O 5.170 0.888 4.276 . . . 1.0 . . . . . . . . . . . . A . 16 CYS O . . . . . . . . . c19501_2mdq 1 . 3 . 630 . 1 1 16 CYS SG S 1.136 3.499 2.429 . . . 1.0 . . . . . . . . . . . . A . 16 CYS SG . . . . . . . . . c19501_2mdq 1 . 3 . 631 . 1 1 17 NH2 HN1 H 3.163 -0.154 2.145 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 HN1 . . . . . . . . . c19501_2mdq 1 . 3 . 632 . 1 1 17 NH2 HN2 H 4.366 -1.029 3.010 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 HN2 . . . . . . . . . c19501_2mdq 1 . 3 . 633 . 1 1 17 NH2 N N 3.890 -0.198 2.802 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 N . . . . . . . . . c19501_2mdq 1 . 4 . 634 . 1 1 1 GLY C C -4.150 3.789 -3.254 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c19501_2mdq 1 . 4 . 635 . 1 1 1 GLY CA C -4.543 5.081 -3.893 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c19501_2mdq 1 . 4 . 636 . 1 1 1 GLY H1 H -5.336 5.907 -2.188 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c19501_2mdq 1 . 4 . 637 . 1 1 1 GLY H2 H -6.429 5.017 -3.096 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H2 . . . . . . . . . c19501_2mdq 1 . 4 . 638 . 1 1 1 GLY H3 H -5.985 6.568 -3.605 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H3 . . . . . . . . . c19501_2mdq 1 . 4 . 639 . 1 1 1 GLY HA2 H -4.850 4.889 -4.909 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c19501_2mdq 1 . 4 . 640 . 1 1 1 GLY HA3 H -3.693 5.746 -3.893 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c19501_2mdq 1 . 4 . 641 . 1 1 1 GLY N N -5.644 5.696 -3.157 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c19501_2mdq 1 . 4 . 642 . 1 1 1 GLY O O -4.800 3.358 -2.289 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c19501_2mdq 1 . 4 . 643 . 1 1 2 CYS C C -2.257 1.859 -1.795 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . c19501_2mdq 1 . 4 . 644 . 1 1 2 CYS CA C -2.599 1.914 -3.252 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . c19501_2mdq 1 . 4 . 645 . 1 1 2 CYS CB C -1.462 1.418 -4.074 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . c19501_2mdq 1 . 4 . 646 . 1 1 2 CYS H H -2.493 3.638 -4.393 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . c19501_2mdq 1 . 4 . 647 . 1 1 2 CYS HA H -3.420 1.248 -3.423 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . c19501_2mdq 1 . 4 . 648 . 1 1 2 CYS HB2 H -0.981 2.324 -4.392 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . c19501_2mdq 1 . 4 . 649 . 1 1 2 CYS HB3 H -0.790 0.838 -3.466 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . c19501_2mdq 1 . 4 . 650 . 1 1 2 CYS N N -3.058 3.200 -3.717 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . c19501_2mdq 1 . 4 . 651 . 1 1 2 CYS O O -2.229 0.807 -1.219 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . c19501_2mdq 1 . 4 . 652 . 1 1 2 CYS SG S -1.947 0.482 -5.558 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . c19501_2mdq 1 . 4 . 653 . 1 1 3 CYS C C -2.957 2.806 1.018 . . . 1.0 . . . . . . . . . . . . A . 3 CYS C . . . . . . . . . c19501_2mdq 1 . 4 . 654 . 1 1 3 CYS CA C -1.716 3.019 0.195 . . . 1.0 . . . . . . . . . . . . A . 3 CYS CA . . . . . . . . . c19501_2mdq 1 . 4 . 655 . 1 1 3 CYS CB C -1.090 4.318 0.562 . . . 1.0 . . . . . . . . . . . . A . 3 CYS CB . . . . . . . . . c19501_2mdq 1 . 4 . 656 . 1 1 3 CYS H H -1.960 3.794 -1.741 . . . 1.0 . . . . . . . . . . . . A . 3 CYS H . . . . . . . . . c19501_2mdq 1 . 4 . 657 . 1 1 3 CYS HA H -1.034 2.217 0.396 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HA . . . . . . . . . c19501_2mdq 1 . 4 . 658 . 1 1 3 CYS HB2 H -1.757 5.109 0.259 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HB2 . . . . . . . . . c19501_2mdq 1 . 4 . 659 . 1 1 3 CYS HB3 H -1.021 4.336 1.631 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HB3 . . . . . . . . . c19501_2mdq 1 . 4 . 660 . 1 1 3 CYS N N -2.001 2.973 -1.208 . . . 1.0 . . . . . . . . . . . . A . 3 CYS N . . . . . . . . . c19501_2mdq 1 . 4 . 661 . 1 1 3 CYS O O -2.952 2.075 2.006 . . . 1.0 . . . . . . . . . . . . A . 3 CYS O . . . . . . . . . c19501_2mdq 1 . 4 . 662 . 1 1 3 CYS SG S 0.529 4.646 -0.168 . . . 1.0 . . . . . . . . . . . . A . 3 CYS SG . . . . . . . . . c19501_2mdq 1 . 4 . 663 . 1 1 4 SER C C -5.933 1.978 1.004 . . . 1.0 . . . . . . . . . . . . A . 4 SER C . . . . . . . . . c19501_2mdq 1 . 4 . 664 . 1 1 4 SER CA C -5.291 3.356 1.249 . . . 1.0 . . . . . . . . . . . . A . 4 SER CA . . . . . . . . . c19501_2mdq 1 . 4 . 665 . 1 1 4 SER CB C -6.151 4.471 0.700 . . . 1.0 . . . . . . . . . . . . A . 4 SER CB . . . . . . . . . c19501_2mdq 1 . 4 . 666 . 1 1 4 SER H H -3.878 3.961 -0.221 . . . 1.0 . . . . . . . . . . . . A . 4 SER H . . . . . . . . . c19501_2mdq 1 . 4 . 667 . 1 1 4 SER HA H -5.143 3.504 2.308 . . . 1.0 . . . . . . . . . . . . A . 4 SER HA . . . . . . . . . c19501_2mdq 1 . 4 . 668 . 1 1 4 SER HB2 H -6.405 4.238 -0.322 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB2 . . . . . . . . . c19501_2mdq 1 . 4 . 669 . 1 1 4 SER HB3 H -7.048 4.575 1.294 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB3 . . . . . . . . . c19501_2mdq 1 . 4 . 670 . 1 1 4 SER HG H -4.971 5.748 1.584 . . . 1.0 . . . . . . . . . . . . A . 4 SER HG . . . . . . . . . c19501_2mdq 1 . 4 . 671 . 1 1 4 SER N N -4.000 3.423 0.588 . . . 1.0 . . . . . . . . . . . . A . 4 SER N . . . . . . . . . c19501_2mdq 1 . 4 . 672 . 1 1 4 SER O O -6.903 1.589 1.657 . . . 1.0 . . . . . . . . . . . . A . 4 SER O . . . . . . . . . c19501_2mdq 1 . 4 . 673 . 1 1 4 SER OG O -5.424 5.703 0.730 . . . 1.0 . . . . . . . . . . . . A . 4 SER OG . . . . . . . . . c19501_2mdq 1 . 4 . 674 . 1 1 5 HIS C C -4.775 -1.022 0.425 . . . 1.0 . . . . . . . . . . . . A . 5 HIS C . . . . . . . . . c19501_2mdq 1 . 4 . 675 . 1 1 5 HIS CA C -5.719 -0.074 -0.283 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CA . . . . . . . . . c19501_2mdq 1 . 4 . 676 . 1 1 5 HIS CB C -5.576 -0.271 -1.781 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CB . . . . . . . . . c19501_2mdq 1 . 4 . 677 . 1 1 5 HIS CD2 C -7.271 1.448 -2.734 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CD2 . . . . . . . . . c19501_2mdq 1 . 4 . 678 . 1 1 5 HIS CE1 C -8.440 0.118 -3.975 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CE1 . . . . . . . . . c19501_2mdq 1 . 4 . 679 . 1 1 5 HIS CG C -6.745 0.211 -2.591 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CG . . . . . . . . . c19501_2mdq 1 . 4 . 680 . 1 1 5 HIS H H -4.632 1.691 -0.445 . . . 1.0 . . . . . . . . . . . . A . 5 HIS H . . . . . . . . . c19501_2mdq 1 . 4 . 681 . 1 1 5 HIS HA H -6.741 -0.263 0.004 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HA . . . . . . . . . c19501_2mdq 1 . 4 . 682 . 1 1 5 HIS HB2 H -4.697 0.299 -2.055 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB2 . . . . . . . . . c19501_2mdq 1 . 4 . 683 . 1 1 5 HIS HB3 H -5.391 -1.313 -1.989 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB3 . . . . . . . . . c19501_2mdq 1 . 4 . 684 . 1 1 5 HIS HD1 H -7.376 -1.580 -3.523 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD1 . . . . . . . . . c19501_2mdq 1 . 4 . 685 . 1 1 5 HIS HD2 H -6.911 2.346 -2.251 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD2 . . . . . . . . . c19501_2mdq 1 . 4 . 686 . 1 1 5 HIS HE1 H -9.174 -0.278 -4.660 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HE1 . . . . . . . . . c19501_2mdq 1 . 4 . 687 . 1 1 5 HIS N N -5.363 1.273 0.055 . . . 1.0 . . . . . . . . . . . . A . 5 HIS N . . . . . . . . . c19501_2mdq 1 . 4 . 688 . 1 1 5 HIS ND1 N -7.504 -0.614 -3.388 . . . 1.0 . . . . . . . . . . . . A . 5 HIS ND1 . . . . . . . . . c19501_2mdq 1 . 4 . 689 . 1 1 5 HIS NE2 N -8.351 1.385 -3.612 . . . 1.0 . . . . . . . . . . . . A . 5 HIS NE2 . . . . . . . . . c19501_2mdq 1 . 4 . 690 . 1 1 5 HIS O O -3.641 -1.174 -0.001 . . . 1.0 . . . . . . . . . . . . A . 5 HIS O . . . . . . . . . c19501_2mdq 1 . 4 . 691 . 1 1 6 PRO C C -3.585 -3.587 1.503 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . c19501_2mdq 1 . 4 . 692 . 1 1 6 PRO CA C -4.368 -2.552 2.321 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . c19501_2mdq 1 . 4 . 693 . 1 1 6 PRO CB C -5.356 -3.235 3.263 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . c19501_2mdq 1 . 4 . 694 . 1 1 6 PRO CD C -6.602 -1.624 2.032 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . c19501_2mdq 1 . 4 . 695 . 1 1 6 PRO CG C -6.475 -2.267 3.382 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . c19501_2mdq 1 . 4 . 696 . 1 1 6 PRO HA H -3.668 -1.965 2.895 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . c19501_2mdq 1 . 4 . 697 . 1 1 6 PRO HB2 H -5.680 -4.169 2.828 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB2 . . . . . . . . . c19501_2mdq 1 . 4 . 698 . 1 1 6 PRO HB3 H -4.887 -3.415 4.219 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . c19501_2mdq 1 . 4 . 699 . 1 1 6 PRO HD2 H -7.279 -2.189 1.408 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD2 . . . . . . . . . c19501_2mdq 1 . 4 . 700 . 1 1 6 PRO HD3 H -6.936 -0.602 2.132 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . c19501_2mdq 1 . 4 . 701 . 1 1 6 PRO HG2 H -7.386 -2.784 3.644 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG2 . . . . . . . . . c19501_2mdq 1 . 4 . 702 . 1 1 6 PRO HG3 H -6.237 -1.524 4.128 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . c19501_2mdq 1 . 4 . 703 . 1 1 6 PRO N N -5.222 -1.677 1.504 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . c19501_2mdq 1 . 4 . 704 . 1 1 6 PRO O O -2.408 -3.816 1.760 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . c19501_2mdq 1 . 4 . 705 . 1 1 7 ALA C C -2.459 -4.623 -1.187 . . . 1.0 . . . . . . . . . . . . A . 7 ALA C . . . . . . . . . c19501_2mdq 1 . 4 . 706 . 1 1 7 ALA CA C -3.586 -5.174 -0.325 . . . 1.0 . . . . . . . . . . . . A . 7 ALA CA . . . . . . . . . c19501_2mdq 1 . 4 . 707 . 1 1 7 ALA CB C -4.606 -5.904 -1.182 . . . 1.0 . . . . . . . . . . . . A . 7 ALA CB . . . . . . . . . c19501_2mdq 1 . 4 . 708 . 1 1 7 ALA H H -5.122 -3.835 0.255 . . . 1.0 . . . . . . . . . . . . A . 7 ALA H . . . . . . . . . c19501_2mdq 1 . 4 . 709 . 1 1 7 ALA HA H -3.157 -5.887 0.362 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HA . . . . . . . . . c19501_2mdq 1 . 4 . 710 . 1 1 7 ALA HB1 H -4.979 -5.239 -1.946 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB1 . . . . . . . . . c19501_2mdq 1 . 4 . 711 . 1 1 7 ALA HB2 H -5.426 -6.230 -0.559 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB2 . . . . . . . . . c19501_2mdq 1 . 4 . 712 . 1 1 7 ALA HB3 H -4.143 -6.764 -1.642 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB3 . . . . . . . . . c19501_2mdq 1 . 4 . 713 . 1 1 7 ALA N N -4.216 -4.141 0.477 . . . 1.0 . . . . . . . . . . . . A . 7 ALA N . . . . . . . . . c19501_2mdq 1 . 4 . 714 . 1 1 7 ALA O O -1.395 -5.231 -1.283 . . . 1.0 . . . . . . . . . . . . A . 7 ALA O . . . . . . . . . c19501_2mdq 1 . 4 . 715 . 1 1 8 CYS C C -0.613 -2.147 -1.845 . . . 1.0 . . . . . . . . . . . . A . 8 CYS C . . . . . . . . . c19501_2mdq 1 . 4 . 716 . 1 1 8 CYS CA C -1.682 -2.873 -2.660 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CA . . . . . . . . . c19501_2mdq 1 . 4 . 717 . 1 1 8 CYS CB C -2.371 -1.906 -3.645 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CB . . . . . . . . . c19501_2mdq 1 . 4 . 718 . 1 1 8 CYS H H -3.495 -2.968 -1.565 . . . 1.0 . . . . . . . . . . . . A . 8 CYS H . . . . . . . . . c19501_2mdq 1 . 4 . 719 . 1 1 8 CYS HA H -1.216 -3.676 -3.213 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HA . . . . . . . . . c19501_2mdq 1 . 4 . 720 . 1 1 8 CYS HB2 H -3.278 -2.364 -4.008 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB2 . . . . . . . . . c19501_2mdq 1 . 4 . 721 . 1 1 8 CYS HB3 H -2.618 -1.004 -3.104 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB3 . . . . . . . . . c19501_2mdq 1 . 4 . 722 . 1 1 8 CYS N N -2.666 -3.456 -1.759 . . . 1.0 . . . . . . . . . . . . A . 8 CYS N . . . . . . . . . c19501_2mdq 1 . 4 . 723 . 1 1 8 CYS O O 0.498 -1.928 -2.302 . . . 1.0 . . . . . . . . . . . . A . 8 CYS O . . . . . . . . . c19501_2mdq 1 . 4 . 724 . 1 1 8 CYS SG S -1.371 -1.423 -5.113 . . . 1.0 . . . . . . . . . . . . A . 8 CYS SG . . . . . . . . . c19501_2mdq 1 . 4 . 725 . 1 1 9 ASN C C 1.079 -2.071 0.675 . . . 1.0 . . . . . . . . . . . . A . 9 ASN C . . . . . . . . . c19501_2mdq 1 . 4 . 726 . 1 1 9 ASN CA C -0.022 -1.132 0.277 . . . 1.0 . . . . . . . . . . . . A . 9 ASN CA . . . . . . . . . c19501_2mdq 1 . 4 . 727 . 1 1 9 ASN CB C -0.729 -0.640 1.507 . . . 1.0 . . . . . . . . . . . . A . 9 ASN CB . . . . . . . . . c19501_2mdq 1 . 4 . 728 . 1 1 9 ASN CG C 0.118 0.308 2.369 . . . 1.0 . . . . . . . . . . . . A . 9 ASN CG . . . . . . . . . c19501_2mdq 1 . 4 . 729 . 1 1 9 ASN H H -1.862 -1.994 -0.294 . . . 1.0 . . . . . . . . . . . . A . 9 ASN H . . . . . . . . . c19501_2mdq 1 . 4 . 730 . 1 1 9 ASN HA H 0.387 -0.291 -0.259 . . . 1.0 . . . . . . . . . . . . A . 9 ASN HA . . . . . . . . . c19501_2mdq 1 . 4 . 731 . 1 1 9 ASN HB2 H -1.691 -0.242 1.240 . . . 1.0 . . . . . . . . . . . . A . 9 ASN HB2 . . . . . . . . . c19501_2mdq 1 . 4 . 732 . 1 1 9 ASN HB3 H -0.910 -1.534 2.081 . . . 1.0 . . . . . . . . . . . . A . 9 ASN HB3 . . . . . . . . . c19501_2mdq 1 . 4 . 733 . 1 1 9 ASN HD21 H 1.187 0.915 0.807 . . . 1.0 . . . . . . . . . . . . A . 9 ASN HD21 . . . . . . . . . c19501_2mdq 1 . 4 . 734 . 1 1 9 ASN HD22 H 1.632 1.561 2.348 . . . 1.0 . . . . . . . . . . . . A . 9 ASN HD22 . . . . . . . . . c19501_2mdq 1 . 4 . 735 . 1 1 9 ASN N N -0.949 -1.815 -0.610 . . . 1.0 . . . . . . . . . . . . A . 9 ASN N . . . . . . . . . c19501_2mdq 1 . 4 . 736 . 1 1 9 ASN ND2 N 1.057 1.007 1.774 . . . 1.0 . . . . . . . . . . . . A . 9 ASN ND2 . . . . . . . . . c19501_2mdq 1 . 4 . 737 . 1 1 9 ASN O O 2.213 -1.668 0.871 . . . 1.0 . . . . . . . . . . . . A . 9 ASN O . . . . . . . . . c19501_2mdq 1 . 4 . 738 . 1 1 9 ASN OD1 O -0.074 0.405 3.575 . . . 1.0 . . . . . . . . . . . . A . 9 ASN OD1 . . . . . . . . . c19501_2mdq 1 . 4 . 739 . 1 1 10 VAL C C 2.829 -4.392 0.048 . . . 1.0 . . . . . . . . . . . . A . 10 VAL C . . . . . . . . . c19501_2mdq 1 . 4 . 740 . 1 1 10 VAL CA C 1.670 -4.408 1.055 . . . 1.0 . . . . . . . . . . . . A . 10 VAL CA . . . . . . . . . c19501_2mdq 1 . 4 . 741 . 1 1 10 VAL CB C 0.988 -5.804 1.038 . . . 1.0 . . . . . . . . . . . . A . 10 VAL CB . . . . . . . . . c19501_2mdq 1 . 4 . 742 . 1 1 10 VAL CG1 C 1.996 -6.930 1.260 . . . 1.0 . . . . . . . . . . . . A . 10 VAL CG1 . . . . . . . . . c19501_2mdq 1 . 4 . 743 . 1 1 10 VAL CG2 C -0.106 -5.884 2.082 . . . 1.0 . . . . . . . . . . . . A . 10 VAL CG2 . . . . . . . . . c19501_2mdq 1 . 4 . 744 . 1 1 10 VAL H H -0.248 -3.481 0.695 . . . 1.0 . . . . . . . . . . . . A . 10 VAL H . . . . . . . . . c19501_2mdq 1 . 4 . 745 . 1 1 10 VAL HA H 2.073 -4.234 2.039 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HA . . . . . . . . . c19501_2mdq 1 . 4 . 746 . 1 1 10 VAL HB H 0.539 -5.913 0.066 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HB . . . . . . . . . c19501_2mdq 1 . 4 . 747 . 1 1 10 VAL HG11 H 1.485 -7.881 1.239 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG11 . . . . . . . . . c19501_2mdq 1 . 4 . 748 . 1 1 10 VAL HG12 H 2.473 -6.800 2.220 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG12 . . . . . . . . . c19501_2mdq 1 . 4 . 749 . 1 1 10 VAL HG13 H 2.742 -6.904 0.481 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG13 . . . . . . . . . c19501_2mdq 1 . 4 . 750 . 1 1 10 VAL HG21 H 0.318 -5.716 3.061 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG21 . . . . . . . . . c19501_2mdq 1 . 4 . 751 . 1 1 10 VAL HG22 H -0.561 -6.862 2.051 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG22 . . . . . . . . . c19501_2mdq 1 . 4 . 752 . 1 1 10 VAL HG23 H -0.854 -5.131 1.879 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG23 . . . . . . . . . c19501_2mdq 1 . 4 . 753 . 1 1 10 VAL N N 0.719 -3.327 0.776 . . . 1.0 . . . . . . . . . . . . A . 10 VAL N . . . . . . . . . c19501_2mdq 1 . 4 . 754 . 1 1 10 VAL O O 4.001 -4.565 0.419 . . . 1.0 . . . . . . . . . . . . A . 10 VAL O . . . . . . . . . c19501_2mdq 1 . 4 . 755 . 1 1 11 ASP C C 4.036 -2.671 -2.471 . . . 1.0 . . . . . . . . . . . . A . 11 ASP C . . . . . . . . . c19501_2mdq 1 . 4 . 756 . 1 1 11 ASP CA C 3.544 -4.091 -2.240 . . . 1.0 . . . . . . . . . . . . A . 11 ASP CA . . . . . . . . . c19501_2mdq 1 . 4 . 757 . 1 1 11 ASP CB C 3.101 -4.751 -3.552 . . . 1.0 . . . . . . . . . . . . A . 11 ASP CB . . . . . . . . . c19501_2mdq 1 . 4 . 758 . 1 1 11 ASP CG C 1.947 -4.059 -4.224 . . . 1.0 . . . . . . . . . . . . A . 11 ASP CG . . . . . . . . . c19501_2mdq 1 . 4 . 759 . 1 1 11 ASP H H 1.580 -3.964 -1.450 . . . 1.0 . . . . . . . . . . . . A . 11 ASP H . . . . . . . . . c19501_2mdq 1 . 4 . 760 . 1 1 11 ASP HA H 4.380 -4.638 -1.836 . . . 1.0 . . . . . . . . . . . . A . 11 ASP HA . . . . . . . . . c19501_2mdq 1 . 4 . 761 . 1 1 11 ASP HB2 H 3.933 -4.744 -4.241 . . . 1.0 . . . . . . . . . . . . A . 11 ASP HB2 . . . . . . . . . c19501_2mdq 1 . 4 . 762 . 1 1 11 ASP HB3 H 2.821 -5.775 -3.352 . . . 1.0 . . . . . . . . . . . . A . 11 ASP HB3 . . . . . . . . . c19501_2mdq 1 . 4 . 763 . 1 1 11 ASP N N 2.517 -4.136 -1.208 . . . 1.0 . . . . . . . . . . . . A . 11 ASP N . . . . . . . . . c19501_2mdq 1 . 4 . 764 . 1 1 11 ASP O O 4.882 -2.421 -3.331 . . . 1.0 . . . . . . . . . . . . A . 11 ASP O . . . . . . . . . c19501_2mdq 1 . 4 . 765 . 1 1 11 ASP OD1 O 2.176 -3.093 -4.973 . . . 1.0 . . . . . . . . . . . . A . 11 ASP OD1 . . . . . . . . . c19501_2mdq 1 . 4 . 766 . 1 1 11 ASP OD2 O 0.795 -4.494 -4.041 . . . 1.0 . . . . . . . . . . . . A . 11 ASP OD2 . . . . . . . . . c19501_2mdq 1 . 4 . 767 . 1 1 12 HIS C C 4.517 0.034 -0.325 . . . 1.0 . . . . . . . . . . . . A . 12 HIS C . . . . . . . . . c19501_2mdq 1 . 4 . 768 . 1 1 12 HIS CA C 3.988 -0.375 -1.729 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CA . . . . . . . . . c19501_2mdq 1 . 4 . 769 . 1 1 12 HIS CB C 2.802 0.528 -2.062 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CB . . . . . . . . . c19501_2mdq 1 . 4 . 770 . 1 1 12 HIS CD2 C 2.179 1.782 -4.224 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CD2 . . . . . . . . . c19501_2mdq 1 . 4 . 771 . 1 1 12 HIS CE1 C 1.843 0.128 -5.567 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CE1 . . . . . . . . . c19501_2mdq 1 . 4 . 772 . 1 1 12 HIS CG C 2.400 0.661 -3.509 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CG . . . . . . . . . c19501_2mdq 1 . 4 . 773 . 1 1 12 HIS H H 2.791 -1.968 -1.090 . . . 1.0 . . . . . . . . . . . . A . 12 HIS H . . . . . . . . . c19501_2mdq 1 . 4 . 774 . 1 1 12 HIS HA H 4.739 -0.250 -2.485 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HA . . . . . . . . . c19501_2mdq 1 . 4 . 775 . 1 1 12 HIS HB2 H 1.962 0.097 -1.550 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HB2 . . . . . . . . . c19501_2mdq 1 . 4 . 776 . 1 1 12 HIS HB3 H 2.990 1.499 -1.643 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HB3 . . . . . . . . . c19501_2mdq 1 . 4 . 777 . 1 1 12 HIS HD1 H 2.210 -1.356 -4.203 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HD1 . . . . . . . . . c19501_2mdq 1 . 4 . 778 . 1 1 12 HIS HD2 H 2.236 2.791 -3.845 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HD2 . . . . . . . . . c19501_2mdq 1 . 4 . 779 . 1 1 12 HIS HE1 H 1.615 -0.463 -6.442 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HE1 . . . . . . . . . c19501_2mdq 1 . 4 . 780 . 1 1 12 HIS N N 3.514 -1.740 -1.709 . . . 1.0 . . . . . . . . . . . . A . 12 HIS N . . . . . . . . . c19501_2mdq 1 . 4 . 781 . 1 1 12 HIS ND1 N 2.175 -0.385 -4.382 . . . 1.0 . . . . . . . . . . . . A . 12 HIS ND1 . . . . . . . . . c19501_2mdq 1 . 4 . 782 . 1 1 12 HIS NE2 N 1.829 1.446 -5.525 . . . 1.0 . . . . . . . . . . . . A . 12 HIS NE2 . . . . . . . . . c19501_2mdq 1 . 4 . 783 . 1 1 12 HIS O O 4.024 1.018 0.272 . . . 1.0 . . . . . . . . . . . . A . 12 HIS O . . . . . . . . . c19501_2mdq 1 . 4 . 784 . 1 1 13 PRO C C 7.028 0.952 1.491 . . . 1.0 . . . . . . . . . . . . A . 13 PRO C . . . . . . . . . c19501_2mdq 1 . 4 . 785 . 1 1 13 PRO CA C 6.161 -0.279 1.491 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CA . . . . . . . . . c19501_2mdq 1 . 4 . 786 . 1 1 13 PRO CB C 6.988 -1.532 1.828 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CB . . . . . . . . . c19501_2mdq 1 . 4 . 787 . 1 1 13 PRO CD C 6.464 -1.578 -0.519 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CD . . . . . . . . . c19501_2mdq 1 . 4 . 788 . 1 1 13 PRO CG C 6.863 -2.443 0.636 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CG . . . . . . . . . c19501_2mdq 1 . 4 . 789 . 1 1 13 PRO HA H 5.364 -0.152 2.204 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HA . . . . . . . . . c19501_2mdq 1 . 4 . 790 . 1 1 13 PRO HB2 H 8.014 -1.244 1.998 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HB2 . . . . . . . . . c19501_2mdq 1 . 4 . 791 . 1 1 13 PRO HB3 H 6.591 -1.997 2.718 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HB3 . . . . . . . . . c19501_2mdq 1 . 4 . 792 . 1 1 13 PRO HD2 H 7.333 -1.143 -0.990 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HD2 . . . . . . . . . c19501_2mdq 1 . 4 . 793 . 1 1 13 PRO HD3 H 5.878 -2.136 -1.234 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HD3 . . . . . . . . . c19501_2mdq 1 . 4 . 794 . 1 1 13 PRO HG2 H 7.808 -2.923 0.434 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HG2 . . . . . . . . . c19501_2mdq 1 . 4 . 795 . 1 1 13 PRO HG3 H 6.103 -3.187 0.827 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HG3 . . . . . . . . . c19501_2mdq 1 . 4 . 796 . 1 1 13 PRO N N 5.643 -0.559 0.147 . . . 1.0 . . . . . . . . . . . . A . 13 PRO N . . . . . . . . . c19501_2mdq 1 . 4 . 797 . 1 1 13 PRO O O 7.206 1.624 2.502 . . . 1.0 . . . . . . . . . . . . A . 13 PRO O . . . . . . . . . c19501_2mdq 1 . 4 . 798 . 1 1 14 GLU C C 7.492 3.595 -0.161 . . . 1.0 . . . . . . . . . . . . A . 14 GLU C . . . . . . . . . c19501_2mdq 1 . 4 . 799 . 1 1 14 GLU CA C 8.344 2.360 0.067 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CA . . . . . . . . . c19501_2mdq 1 . 4 . 800 . 1 1 14 GLU CB C 9.174 2.055 -1.174 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CB . . . . . . . . . c19501_2mdq 1 . 4 . 801 . 1 1 14 GLU CD C 9.192 1.398 -3.614 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CD . . . . . . . . . c19501_2mdq 1 . 4 . 802 . 1 1 14 GLU CG C 8.352 1.628 -2.389 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CG . . . . . . . . . c19501_2mdq 1 . 4 . 803 . 1 1 14 GLU H H 7.302 0.659 -0.420 . . . 1.0 . . . . . . . . . . . . A . 14 GLU H . . . . . . . . . c19501_2mdq 1 . 4 . 804 . 1 1 14 GLU HA H 9.013 2.512 0.899 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HA . . . . . . . . . c19501_2mdq 1 . 4 . 805 . 1 1 14 GLU HB2 H 9.687 2.961 -1.439 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HB2 . . . . . . . . . c19501_2mdq 1 . 4 . 806 . 1 1 14 GLU HB3 H 9.895 1.284 -0.950 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HB3 . . . . . . . . . c19501_2mdq 1 . 4 . 807 . 1 1 14 GLU HG2 H 7.834 0.709 -2.159 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HG2 . . . . . . . . . c19501_2mdq 1 . 4 . 808 . 1 1 14 GLU HG3 H 7.630 2.400 -2.605 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HG3 . . . . . . . . . c19501_2mdq 1 . 4 . 809 . 1 1 14 GLU N N 7.513 1.249 0.328 . . . 1.0 . . . . . . . . . . . . A . 14 GLU N . . . . . . . . . c19501_2mdq 1 . 4 . 810 . 1 1 14 GLU O O 7.993 4.726 -0.187 . . . 1.0 . . . . . . . . . . . . A . 14 GLU O . . . . . . . . . c19501_2mdq 1 . 4 . 811 . 1 1 14 GLU OE1 O 9.664 0.265 -3.827 . . . 1.0 . . . . . . . . . . . . A . 14 GLU OE1 . . . . . . . . . c19501_2mdq 1 . 4 . 812 . 1 1 14 GLU OE2 O 9.400 2.353 -4.392 . . . 1.0 . . . . . . . . . . . . A . 14 GLU OE2 . . . . . . . . . c19501_2mdq 1 . 4 . 813 . 1 1 15 ILE C C 4.687 4.915 0.696 . . . 1.0 . . . . . . . . . . . . A . 15 ILE C . . . . . . . . . c19501_2mdq 1 . 4 . 814 . 1 1 15 ILE CA C 5.323 4.484 -0.590 . . . 1.0 . . . . . . . . . . . . A . 15 ILE CA . . . . . . . . . c19501_2mdq 1 . 4 . 815 . 1 1 15 ILE CB C 4.242 4.114 -1.638 . . . 1.0 . . . . . . . . . . . . A . 15 ILE CB . . . . . . . . . c19501_2mdq 1 . 4 . 816 . 1 1 15 ILE CD1 C 5.879 4.410 -3.596 . . . 1.0 . . . . . . . . . . . . A . 15 ILE CD1 . . . . . . . . . c19501_2mdq 1 . 4 . 817 . 1 1 15 ILE CG1 C 4.895 3.505 -2.893 . . . 1.0 . . . . . . . . . . . . A . 15 ILE CG1 . . . . . . . . . c19501_2mdq 1 . 4 . 818 . 1 1 15 ILE CG2 C 3.413 5.341 -2.018 . . . 1.0 . . . . . . . . . . . . A . 15 ILE CG2 . . . . . . . . . c19501_2mdq 1 . 4 . 819 . 1 1 15 ILE H H 5.839 2.477 -0.229 . . . 1.0 . . . . . . . . . . . . A . 15 ILE H . . . . . . . . . c19501_2mdq 1 . 4 . 820 . 1 1 15 ILE HA H 5.912 5.304 -0.962 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HA . . . . . . . . . c19501_2mdq 1 . 4 . 821 . 1 1 15 ILE HB H 3.583 3.383 -1.198 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HB . . . . . . . . . c19501_2mdq 1 . 4 . 822 . 1 1 15 ILE HD11 H 5.371 5.311 -3.902 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HD11 . . . . . . . . . c19501_2mdq 1 . 4 . 823 . 1 1 15 ILE HD12 H 6.274 3.900 -4.462 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HD12 . . . . . . . . . c19501_2mdq 1 . 4 . 824 . 1 1 15 ILE HD13 H 6.685 4.652 -2.918 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HD13 . . . . . . . . . c19501_2mdq 1 . 4 . 825 . 1 1 15 ILE HG12 H 5.426 2.607 -2.613 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HG12 . . . . . . . . . c19501_2mdq 1 . 4 . 826 . 1 1 15 ILE HG13 H 4.127 3.243 -3.604 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HG13 . . . . . . . . . c19501_2mdq 1 . 4 . 827 . 1 1 15 ILE HG21 H 2.666 5.060 -2.744 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HG21 . . . . . . . . . c19501_2mdq 1 . 4 . 828 . 1 1 15 ILE HG22 H 4.060 6.096 -2.440 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HG22 . . . . . . . . . c19501_2mdq 1 . 4 . 829 . 1 1 15 ILE HG23 H 2.930 5.733 -1.134 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HG23 . . . . . . . . . c19501_2mdq 1 . 4 . 830 . 1 1 15 ILE N N 6.202 3.386 -0.322 . . . 1.0 . . . . . . . . . . . . A . 15 ILE N . . . . . . . . . c19501_2mdq 1 . 4 . 831 . 1 1 15 ILE O O 4.744 6.080 1.075 . . . 1.0 . . . . . . . . . . . . A . 15 ILE O . . . . . . . . . c19501_2mdq 1 . 4 . 832 . 1 1 16 CYS C C 3.776 3.024 3.546 . . . 1.0 . . . . . . . . . . . . A . 16 CYS C . . . . . . . . . c19501_2mdq 1 . 4 . 833 . 1 1 16 CYS CA C 3.490 4.193 2.628 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CA . . . . . . . . . c19501_2mdq 1 . 4 . 834 . 1 1 16 CYS CB C 2.015 4.321 2.428 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CB . . . . . . . . . c19501_2mdq 1 . 4 . 835 . 1 1 16 CYS H H 4.079 3.065 1.011 . . . 1.0 . . . . . . . . . . . . A . 16 CYS H . . . . . . . . . c19501_2mdq 1 . 4 . 836 . 1 1 16 CYS HA H 3.858 5.109 3.054 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HA . . . . . . . . . c19501_2mdq 1 . 4 . 837 . 1 1 16 CYS HB2 H 1.719 3.382 1.999 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB2 . . . . . . . . . c19501_2mdq 1 . 4 . 838 . 1 1 16 CYS HB3 H 1.554 4.442 3.389 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB3 . . . . . . . . . c19501_2mdq 1 . 4 . 839 . 1 1 16 CYS N N 4.113 3.971 1.372 . . . 1.0 . . . . . . . . . . . . A . 16 CYS N . . . . . . . . . c19501_2mdq 1 . 4 . 840 . 1 1 16 CYS O O 3.035 2.037 3.560 . . . 1.0 . . . . . . . . . . . . A . 16 CYS O . . . . . . . . . c19501_2mdq 1 . 4 . 841 . 1 1 16 CYS SG S 1.488 5.652 1.299 . . . 1.0 . . . . . . . . . . . . A . 16 CYS SG . . . . . . . . . c19501_2mdq 1 . 4 . 842 . 1 1 17 NH2 HN1 H 5.397 3.924 4.208 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 HN1 . . . . . . . . . c19501_2mdq 1 . 4 . 843 . 1 1 17 NH2 HN2 H 5.082 2.355 4.860 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 HN2 . . . . . . . . . c19501_2mdq 1 . 4 . 844 . 1 1 17 NH2 N N 4.858 3.107 4.274 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 N . . . . . . . . . c19501_2mdq 1 . 5 . 845 . 1 1 1 GLY C C -3.608 4.289 -3.179 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c19501_2mdq 1 . 5 . 846 . 1 1 1 GLY CA C -3.623 5.598 -3.911 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c19501_2mdq 1 . 5 . 847 . 1 1 1 GLY H1 H -5.519 5.334 -4.621 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c19501_2mdq 1 . 5 . 848 . 1 1 1 GLY H2 H -5.027 6.936 -4.648 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H2 . . . . . . . . . c19501_2mdq 1 . 5 . 849 . 1 1 1 GLY H3 H -5.443 6.174 -3.167 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H3 . . . . . . . . . c19501_2mdq 1 . 5 . 850 . 1 1 1 GLY HA2 H -3.158 5.465 -4.877 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c19501_2mdq 1 . 5 . 851 . 1 1 1 GLY HA3 H -3.078 6.341 -3.348 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c19501_2mdq 1 . 5 . 852 . 1 1 1 GLY N N -4.991 6.059 -4.095 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c19501_2mdq 1 . 5 . 853 . 1 1 1 GLY O O -4.469 4.046 -2.328 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c19501_2mdq 1 . 5 . 854 . 1 1 2 CYS C C -2.371 2.064 -1.424 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . c19501_2mdq 1 . 5 . 855 . 1 1 2 CYS CA C -2.492 2.138 -2.924 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . c19501_2mdq 1 . 5 . 856 . 1 1 2 CYS CB C -1.379 1.414 -3.580 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . c19501_2mdq 1 . 5 . 857 . 1 1 2 CYS H H -1.909 3.739 -4.087 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . c19501_2mdq 1 . 5 . 858 . 1 1 2 CYS HA H -3.393 1.633 -3.207 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . c19501_2mdq 1 . 5 . 859 . 1 1 2 CYS HB2 H -0.656 2.195 -3.739 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . c19501_2mdq 1 . 5 . 860 . 1 1 2 CYS HB3 H -0.990 0.682 -2.897 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . c19501_2mdq 1 . 5 . 861 . 1 1 2 CYS N N -2.620 3.463 -3.469 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . c19501_2mdq 1 . 5 . 862 . 1 1 2 CYS O O -2.569 1.027 -0.850 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . c19501_2mdq 1 . 5 . 863 . 1 1 2 CYS SG S -1.809 0.675 -5.194 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . c19501_2mdq 1 . 5 . 864 . 1 1 3 CYS C C -3.355 2.952 1.264 . . . 1.0 . . . . . . . . . . . . A . 3 CYS C . . . . . . . . . c19501_2mdq 1 . 5 . 865 . 1 1 3 CYS CA C -1.999 3.190 0.635 . . . 1.0 . . . . . . . . . . . . A . 3 CYS CA . . . . . . . . . c19501_2mdq 1 . 5 . 866 . 1 1 3 CYS CB C -1.410 4.480 1.098 . . . 1.0 . . . . . . . . . . . . A . 3 CYS CB . . . . . . . . . c19501_2mdq 1 . 5 . 867 . 1 1 3 CYS H H -1.798 3.920 -1.331 . . . 1.0 . . . . . . . . . . . . A . 3 CYS H . . . . . . . . . c19501_2mdq 1 . 5 . 868 . 1 1 3 CYS HA H -1.362 2.380 0.933 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HA . . . . . . . . . c19501_2mdq 1 . 5 . 869 . 1 1 3 CYS HB2 H -1.915 5.278 0.571 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HB2 . . . . . . . . . c19501_2mdq 1 . 5 . 870 . 1 1 3 CYS HB3 H -1.614 4.572 2.145 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HB3 . . . . . . . . . c19501_2mdq 1 . 5 . 871 . 1 1 3 CYS N N -2.052 3.138 -0.801 . . . 1.0 . . . . . . . . . . . . A . 3 CYS N . . . . . . . . . c19501_2mdq 1 . 5 . 872 . 1 1 3 CYS O O -3.482 2.236 2.253 . . . 1.0 . . . . . . . . . . . . A . 3 CYS O . . . . . . . . . c19501_2mdq 1 . 5 . 873 . 1 1 3 CYS SG S 0.365 4.634 0.782 . . . 1.0 . . . . . . . . . . . . A . 3 CYS SG . . . . . . . . . c19501_2mdq 1 . 5 . 874 . 1 1 4 SER C C -6.284 1.964 0.656 . . . 1.0 . . . . . . . . . . . . A . 4 SER C . . . . . . . . . c19501_2mdq 1 . 5 . 875 . 1 1 4 SER CA C -5.719 3.339 1.090 . . . 1.0 . . . . . . . . . . . . A . 4 SER CA . . . . . . . . . c19501_2mdq 1 . 5 . 876 . 1 1 4 SER CB C -6.531 4.474 0.498 . . . 1.0 . . . . . . . . . . . . A . 4 SER CB . . . . . . . . . c19501_2mdq 1 . 5 . 877 . 1 1 4 SER H H -4.120 4.038 -0.127 . . . 1.0 . . . . . . . . . . . . A . 4 SER H . . . . . . . . . c19501_2mdq 1 . 5 . 878 . 1 1 4 SER HA H -5.743 3.411 2.167 . . . 1.0 . . . . . . . . . . . . A . 4 SER HA . . . . . . . . . c19501_2mdq 1 . 5 . 879 . 1 1 4 SER HB2 H -6.571 4.355 -0.575 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB2 . . . . . . . . . c19501_2mdq 1 . 5 . 880 . 1 1 4 SER HB3 H -7.530 4.461 0.907 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB3 . . . . . . . . . c19501_2mdq 1 . 5 . 881 . 1 1 4 SER HG H -6.003 5.827 1.769 . . . 1.0 . . . . . . . . . . . . A . 4 SER HG . . . . . . . . . c19501_2mdq 1 . 5 . 882 . 1 1 4 SER N N -4.344 3.489 0.652 . . . 1.0 . . . . . . . . . . . . A . 4 SER N . . . . . . . . . c19501_2mdq 1 . 5 . 883 . 1 1 4 SER O O -7.431 1.612 0.946 . . . 1.0 . . . . . . . . . . . . A . 4 SER O . . . . . . . . . c19501_2mdq 1 . 5 . 884 . 1 1 4 SER OG O -5.912 5.721 0.811 . . . 1.0 . . . . . . . . . . . . A . 4 SER OG . . . . . . . . . c19501_2mdq 1 . 5 . 885 . 1 1 5 HIS C C -4.972 -1.107 0.329 . . . 1.0 . . . . . . . . . . . . A . 5 HIS C . . . . . . . . . c19501_2mdq 1 . 5 . 886 . 1 1 5 HIS CA C -5.769 -0.117 -0.491 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CA . . . . . . . . . c19501_2mdq 1 . 5 . 887 . 1 1 5 HIS CB C -5.336 -0.248 -1.957 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CB . . . . . . . . . c19501_2mdq 1 . 5 . 888 . 1 1 5 HIS CD2 C -6.415 1.835 -3.047 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CD2 . . . . . . . . . c19501_2mdq 1 . 5 . 889 . 1 1 5 HIS CE1 C -7.410 0.885 -4.716 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CE1 . . . . . . . . . c19501_2mdq 1 . 5 . 890 . 1 1 5 HIS CG C -6.158 0.516 -2.954 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CG . . . . . . . . . c19501_2mdq 1 . 5 . 891 . 1 1 5 HIS H H -4.544 1.528 -0.177 . . . 1.0 . . . . . . . . . . . . A . 5 HIS H . . . . . . . . . c19501_2mdq 1 . 5 . 892 . 1 1 5 HIS HA H -6.830 -0.302 -0.409 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HA . . . . . . . . . c19501_2mdq 1 . 5 . 893 . 1 1 5 HIS HB2 H -4.334 0.158 -1.991 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB2 . . . . . . . . . c19501_2mdq 1 . 5 . 894 . 1 1 5 HIS HB3 H -5.302 -1.289 -2.243 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB3 . . . . . . . . . c19501_2mdq 1 . 5 . 895 . 1 1 5 HIS HD1 H -6.768 -1.022 -4.256 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD1 . . . . . . . . . c19501_2mdq 1 . 5 . 896 . 1 1 5 HIS HD2 H -6.054 2.598 -2.371 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD2 . . . . . . . . . c19501_2mdq 1 . 5 . 897 . 1 1 5 HIS HE1 H -7.989 0.709 -5.611 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HE1 . . . . . . . . . c19501_2mdq 1 . 5 . 898 . 1 1 5 HIS N N -5.455 1.205 -0.012 . . . 1.0 . . . . . . . . . . . . A . 5 HIS N . . . . . . . . . c19501_2mdq 1 . 5 . 899 . 1 1 5 HIS ND1 N -6.793 -0.066 -4.022 . . . 1.0 . . . . . . . . . . . . A . 5 HIS ND1 . . . . . . . . . c19501_2mdq 1 . 5 . 900 . 1 1 5 HIS NE2 N -7.212 2.071 -4.163 . . . 1.0 . . . . . . . . . . . . A . 5 HIS NE2 . . . . . . . . . c19501_2mdq 1 . 5 . 901 . 1 1 5 HIS O O -3.781 -1.203 0.145 . . . 1.0 . . . . . . . . . . . . A . 5 HIS O . . . . . . . . . c19501_2mdq 1 . 5 . 902 . 1 1 6 PRO C C -4.054 -3.807 1.315 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . c19501_2mdq 1 . 5 . 903 . 1 1 6 PRO CA C -4.867 -2.789 2.120 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . c19501_2mdq 1 . 5 . 904 . 1 1 6 PRO CB C -5.985 -3.479 2.893 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . c19501_2mdq 1 . 5 . 905 . 1 1 6 PRO CD C -7.027 -1.799 1.580 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . c19501_2mdq 1 . 5 . 906 . 1 1 6 PRO CG C -7.076 -2.472 2.920 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . c19501_2mdq 1 . 5 . 907 . 1 1 6 PRO HA H -4.208 -2.276 2.805 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . c19501_2mdq 1 . 5 . 908 . 1 1 6 PRO HB2 H -6.279 -4.379 2.373 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB2 . . . . . . . . . c19501_2mdq 1 . 5 . 909 . 1 1 6 PRO HB3 H -5.647 -3.721 3.890 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . c19501_2mdq 1 . 5 . 910 . 1 1 6 PRO HD2 H -7.604 -2.353 0.856 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD2 . . . . . . . . . c19501_2mdq 1 . 5 . 911 . 1 1 6 PRO HD3 H -7.379 -0.780 1.654 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . c19501_2mdq 1 . 5 . 912 . 1 1 6 PRO HG2 H -8.027 -2.960 3.074 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG2 . . . . . . . . . c19501_2mdq 1 . 5 . 913 . 1 1 6 PRO HG3 H -6.892 -1.755 3.705 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . c19501_2mdq 1 . 5 . 914 . 1 1 6 PRO N N -5.589 -1.835 1.260 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . c19501_2mdq 1 . 5 . 915 . 1 1 6 PRO O O -2.890 -4.073 1.620 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . c19501_2mdq 1 . 5 . 916 . 1 1 7 ALA C C -2.860 -4.723 -1.402 . . . 1.0 . . . . . . . . . . . . A . 7 ALA C . . . . . . . . . c19501_2mdq 1 . 5 . 917 . 1 1 7 ALA CA C -4.000 -5.304 -0.578 . . . 1.0 . . . . . . . . . . . . A . 7 ALA CA . . . . . . . . . c19501_2mdq 1 . 5 . 918 . 1 1 7 ALA CB C -5.006 -6.007 -1.467 . . . 1.0 . . . . . . . . . . . . A . 7 ALA CB . . . . . . . . . c19501_2mdq 1 . 5 . 919 . 1 1 7 ALA H H -5.536 -3.982 -0.006 . . . 1.0 . . . . . . . . . . . . A . 7 ALA H . . . . . . . . . c19501_2mdq 1 . 5 . 920 . 1 1 7 ALA HA H -3.568 -6.037 0.086 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HA . . . . . . . . . c19501_2mdq 1 . 5 . 921 . 1 1 7 ALA HB1 H -5.811 -6.400 -0.866 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB1 . . . . . . . . . c19501_2mdq 1 . 5 . 922 . 1 1 7 ALA HB2 H -4.518 -6.814 -1.992 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB2 . . . . . . . . . c19501_2mdq 1 . 5 . 923 . 1 1 7 ALA HB3 H -5.400 -5.307 -2.188 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB3 . . . . . . . . . c19501_2mdq 1 . 5 . 924 . 1 1 7 ALA N N -4.642 -4.307 0.247 . . . 1.0 . . . . . . . . . . . . A . 7 ALA N . . . . . . . . . c19501_2mdq 1 . 5 . 925 . 1 1 7 ALA O O -1.943 -5.433 -1.755 . . . 1.0 . . . . . . . . . . . . A . 7 ALA O . . . . . . . . . c19501_2mdq 1 . 5 . 926 . 1 1 8 CYS C C -0.948 -1.984 -1.603 . . . 1.0 . . . . . . . . . . . . A . 8 CYS C . . . . . . . . . c19501_2mdq 1 . 5 . 927 . 1 1 8 CYS CA C -1.877 -2.791 -2.507 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CA . . . . . . . . . c19501_2mdq 1 . 5 . 928 . 1 1 8 CYS CB C -2.537 -1.862 -3.558 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CB . . . . . . . . . c19501_2mdq 1 . 5 . 929 . 1 1 8 CYS H H -3.643 -2.891 -1.319 . . . 1.0 . . . . . . . . . . . . A . 8 CYS H . . . . . . . . . c19501_2mdq 1 . 5 . 930 . 1 1 8 CYS HA H -1.305 -3.557 -3.008 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HA . . . . . . . . . c19501_2mdq 1 . 5 . 931 . 1 1 8 CYS HB2 H -3.394 -2.358 -3.988 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB2 . . . . . . . . . c19501_2mdq 1 . 5 . 932 . 1 1 8 CYS HB3 H -2.867 -0.976 -3.035 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB3 . . . . . . . . . c19501_2mdq 1 . 5 . 933 . 1 1 8 CYS N N -2.910 -3.435 -1.681 . . . 1.0 . . . . . . . . . . . . A . 8 CYS N . . . . . . . . . c19501_2mdq 1 . 5 . 934 . 1 1 8 CYS O O -0.096 -1.233 -2.057 . . . 1.0 . . . . . . . . . . . . A . 8 CYS O . . . . . . . . . c19501_2mdq 1 . 5 . 935 . 1 1 8 CYS SG S -1.444 -1.321 -4.945 . . . 1.0 . . . . . . . . . . . . A . 8 CYS SG . . . . . . . . . c19501_2mdq 1 . 5 . 936 . 1 1 9 ASN C C 0.971 -2.043 0.919 . . . 1.0 . . . . . . . . . . . . A . 9 ASN C . . . . . . . . . c19501_2mdq 1 . 5 . 937 . 1 1 9 ASN CA C -0.345 -1.385 0.639 . . . 1.0 . . . . . . . . . . . . A . 9 ASN CA . . . . . . . . . c19501_2mdq 1 . 5 . 938 . 1 1 9 ASN CB C -1.114 -1.261 1.940 . . . 1.0 . . . . . . . . . . . . A . 9 ASN CB . . . . . . . . . c19501_2mdq 1 . 5 . 939 . 1 1 9 ASN CG C -0.503 -0.273 2.918 . . . 1.0 . . . . . . . . . . . . A . 9 ASN CG . . . . . . . . . c19501_2mdq 1 . 5 . 940 . 1 1 9 ASN H H -1.764 -2.818 -0.008 . . . 1.0 . . . . . . . . . . . . A . 9 ASN H . . . . . . . . . c19501_2mdq 1 . 5 . 941 . 1 1 9 ASN HA H -0.178 -0.402 0.238 . . . 1.0 . . . . . . . . . . . . A . 9 ASN HA . . . . . . . . . c19501_2mdq 1 . 5 . 942 . 1 1 9 ASN HB2 H -2.139 -0.996 1.732 . . . 1.0 . . . . . . . . . . . . A . 9 ASN HB2 . . . . . . . . . c19501_2mdq 1 . 5 . 943 . 1 1 9 ASN HB3 H -1.089 -2.241 2.385 . . . 1.0 . . . . . . . . . . . . A . 9 ASN HB3 . . . . . . . . . c19501_2mdq 1 . 5 . 944 . 1 1 9 ASN HD21 H -1.726 1.110 2.273 . . . 1.0 . . . . . . . . . . . . A . 9 ASN HD21 . . . . . . . . . c19501_2mdq 1 . 5 . 945 . 1 1 9 ASN HD22 H -0.655 1.601 3.533 . . . 1.0 . . . . . . . . . . . . A . 9 ASN HD22 . . . . . . . . . c19501_2mdq 1 . 5 . 946 . 1 1 9 ASN N N -1.105 -2.162 -0.317 . . . 1.0 . . . . . . . . . . . . A . 9 ASN N . . . . . . . . . c19501_2mdq 1 . 5 . 947 . 1 1 9 ASN ND2 N -0.996 0.927 2.906 . . . 1.0 . . . . . . . . . . . . A . 9 ASN ND2 . . . . . . . . . c19501_2mdq 1 . 5 . 948 . 1 1 9 ASN O O 2.032 -1.419 0.833 . . . 1.0 . . . . . . . . . . . . A . 9 ASN O . . . . . . . . . c19501_2mdq 1 . 5 . 949 . 1 1 9 ASN OD1 O 0.377 -0.610 3.712 . . . 1.0 . . . . . . . . . . . . A . 9 ASN OD1 . . . . . . . . . c19501_2mdq 1 . 5 . 950 . 1 1 10 VAL C C 3.167 -4.137 0.589 . . . 1.0 . . . . . . . . . . . . A . 10 VAL C . . . . . . . . . c19501_2mdq 1 . 5 . 951 . 1 1 10 VAL CA C 2.043 -4.104 1.640 . . . 1.0 . . . . . . . . . . . . A . 10 VAL CA . . . . . . . . . c19501_2mdq 1 . 5 . 952 . 1 1 10 VAL CB C 1.633 -5.541 2.084 . . . 1.0 . . . . . . . . . . . . A . 10 VAL CB . . . . . . . . . c19501_2mdq 1 . 5 . 953 . 1 1 10 VAL CG1 C 0.939 -6.307 0.972 . . . 1.0 . . . . . . . . . . . . A . 10 VAL CG1 . . . . . . . . . c19501_2mdq 1 . 5 . 954 . 1 1 10 VAL CG2 C 2.825 -6.318 2.614 . . . 1.0 . . . . . . . . . . . . A . 10 VAL CG2 . . . . . . . . . c19501_2mdq 1 . 5 . 955 . 1 1 10 VAL H H -0.005 -3.716 1.198 . . . 1.0 . . . . . . . . . . . . A . 10 VAL H . . . . . . . . . c19501_2mdq 1 . 5 . 956 . 1 1 10 VAL HA H 2.453 -3.600 2.503 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HA . . . . . . . . . c19501_2mdq 1 . 5 . 957 . 1 1 10 VAL HB H 0.924 -5.431 2.890 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HB . . . . . . . . . c19501_2mdq 1 . 5 . 958 . 1 1 10 VAL HG11 H 1.608 -6.391 0.127 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG11 . . . . . . . . . c19501_2mdq 1 . 5 . 959 . 1 1 10 VAL HG12 H 0.046 -5.779 0.672 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG12 . . . . . . . . . c19501_2mdq 1 . 5 . 960 . 1 1 10 VAL HG13 H 0.677 -7.294 1.321 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG13 . . . . . . . . . c19501_2mdq 1 . 5 . 961 . 1 1 10 VAL HG21 H 3.241 -5.804 3.467 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG21 . . . . . . . . . c19501_2mdq 1 . 5 . 962 . 1 1 10 VAL HG22 H 3.573 -6.399 1.840 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG22 . . . . . . . . . c19501_2mdq 1 . 5 . 963 . 1 1 10 VAL HG23 H 2.503 -7.306 2.909 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG23 . . . . . . . . . c19501_2mdq 1 . 5 . 964 . 1 1 10 VAL N N 0.888 -3.312 1.232 . . . 1.0 . . . . . . . . . . . . A . 10 VAL N . . . . . . . . . c19501_2mdq 1 . 5 . 965 . 1 1 10 VAL O O 4.348 -4.050 0.937 . . . 1.0 . . . . . . . . . . . . A . 10 VAL O . . . . . . . . . c19501_2mdq 1 . 5 . 966 . 1 1 11 ASP C C 4.332 -2.913 -2.167 . . . 1.0 . . . . . . . . . . . . A . 11 ASP C . . . . . . . . . c19501_2mdq 1 . 5 . 967 . 1 1 11 ASP CA C 3.828 -4.276 -1.716 . . . 1.0 . . . . . . . . . . . . A . 11 ASP CA . . . . . . . . . c19501_2mdq 1 . 5 . 968 . 1 1 11 ASP CB C 3.402 -5.167 -2.892 . . . 1.0 . . . . . . . . . . . . A . 11 ASP CB . . . . . . . . . c19501_2mdq 1 . 5 . 969 . 1 1 11 ASP CG C 2.122 -4.744 -3.565 . . . 1.0 . . . . . . . . . . . . A . 11 ASP CG . . . . . . . . . c19501_2mdq 1 . 5 . 970 . 1 1 11 ASP H H 1.870 -4.201 -0.937 . . . 1.0 . . . . . . . . . . . . A . 11 ASP H . . . . . . . . . c19501_2mdq 1 . 5 . 971 . 1 1 11 ASP HA H 4.673 -4.744 -1.232 . . . 1.0 . . . . . . . . . . . . A . 11 ASP HA . . . . . . . . . c19501_2mdq 1 . 5 . 972 . 1 1 11 ASP HB2 H 4.181 -5.158 -3.639 . . . 1.0 . . . . . . . . . . . . A . 11 ASP HB2 . . . . . . . . . c19501_2mdq 1 . 5 . 973 . 1 1 11 ASP HB3 H 3.280 -6.179 -2.532 . . . 1.0 . . . . . . . . . . . . A . 11 ASP HB3 . . . . . . . . . c19501_2mdq 1 . 5 . 974 . 1 1 11 ASP N N 2.816 -4.196 -0.677 . . . 1.0 . . . . . . . . . . . . A . 11 ASP N . . . . . . . . . c19501_2mdq 1 . 5 . 975 . 1 1 11 ASP O O 5.127 -2.812 -3.098 . . . 1.0 . . . . . . . . . . . . A . 11 ASP O . . . . . . . . . c19501_2mdq 1 . 5 . 976 . 1 1 11 ASP OD1 O 1.040 -5.002 -3.003 . . . 1.0 . . . . . . . . . . . . A . 11 ASP OD1 . . . . . . . . . c19501_2mdq 1 . 5 . 977 . 1 1 11 ASP OD2 O 2.174 -4.195 -4.690 . . . 1.0 . . . . . . . . . . . . A . 11 ASP OD2 . . . . . . . . . c19501_2mdq 1 . 5 . 978 . 1 1 12 HIS C C 5.170 0.000 -0.509 . . . 1.0 . . . . . . . . . . . . A . 12 HIS C . . . . . . . . . c19501_2mdq 1 . 5 . 979 . 1 1 12 HIS CA C 4.430 -0.549 -1.728 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CA . . . . . . . . . c19501_2mdq 1 . 5 . 980 . 1 1 12 HIS CB C 3.329 0.421 -2.111 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CB . . . . . . . . . c19501_2mdq 1 . 5 . 981 . 1 1 12 HIS CD2 C 1.897 -0.316 -4.120 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CD2 . . . . . . . . . c19501_2mdq 1 . 5 . 982 . 1 1 12 HIS CE1 C 2.786 0.921 -5.666 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CE1 . . . . . . . . . c19501_2mdq 1 . 5 . 983 . 1 1 12 HIS CG C 2.888 0.386 -3.537 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CG . . . . . . . . . c19501_2mdq 1 . 5 . 984 . 1 1 12 HIS H H 3.245 -1.951 -0.777 . . . 1.0 . . . . . . . . . . . . A . 12 HIS H . . . . . . . . . c19501_2mdq 1 . 5 . 985 . 1 1 12 HIS HA H 5.118 -0.620 -2.554 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HA . . . . . . . . . c19501_2mdq 1 . 5 . 986 . 1 1 12 HIS HB2 H 2.478 0.144 -1.512 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HB2 . . . . . . . . . c19501_2mdq 1 . 5 . 987 . 1 1 12 HIS HB3 H 3.641 1.412 -1.836 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HB3 . . . . . . . . . c19501_2mdq 1 . 5 . 988 . 1 1 12 HIS HD1 H 4.202 1.795 -4.475 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HD1 . . . . . . . . . c19501_2mdq 1 . 5 . 989 . 1 1 12 HIS HD2 H 1.244 -1.021 -3.622 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HD2 . . . . . . . . . c19501_2mdq 1 . 5 . 990 . 1 1 12 HIS HE1 H 3.004 1.396 -6.612 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HE1 . . . . . . . . . c19501_2mdq 1 . 5 . 991 . 1 1 12 HIS N N 3.920 -1.865 -1.481 . . . 1.0 . . . . . . . . . . . . A . 12 HIS N . . . . . . . . . c19501_2mdq 1 . 5 . 992 . 1 1 12 HIS ND1 N 3.445 1.167 -4.540 . . . 1.0 . . . . . . . . . . . . A . 12 HIS ND1 . . . . . . . . . c19501_2mdq 1 . 5 . 993 . 1 1 12 HIS NE2 N 1.834 0.024 -5.475 . . . 1.0 . . . . . . . . . . . . A . 12 HIS NE2 . . . . . . . . . c19501_2mdq 1 . 5 . 994 . 1 1 12 HIS O O 4.648 0.889 0.175 . . . 1.0 . . . . . . . . . . . . A . 12 HIS O . . . . . . . . . c19501_2mdq 1 . 5 . 995 . 1 1 13 PRO C C 7.613 1.422 0.740 . . . 1.0 . . . . . . . . . . . . A . 13 PRO C . . . . . . . . . c19501_2mdq 1 . 5 . 996 . 1 1 13 PRO CA C 7.184 -0.013 0.961 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CA . . . . . . . . . c19501_2mdq 1 . 5 . 997 . 1 1 13 PRO CB C 8.411 -0.944 0.996 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CB . . . . . . . . . c19501_2mdq 1 . 5 . 998 . 1 1 13 PRO CD C 7.150 -1.525 -0.948 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CD . . . . . . . . . c19501_2mdq 1 . 5 . 999 . 1 1 13 PRO CG C 8.065 -2.086 0.095 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CG . . . . . . . . . c19501_2mdq 1 . 5 . 1000 . 1 1 13 PRO HA H 6.616 -0.082 1.874 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HA . . . . . . . . . c19501_2mdq 1 . 5 . 1001 . 1 1 13 PRO HB2 H 9.279 -0.409 0.639 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HB2 . . . . . . . . . c19501_2mdq 1 . 5 . 1002 . 1 1 13 PRO HB3 H 8.583 -1.282 2.007 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HB3 . . . . . . . . . c19501_2mdq 1 . 5 . 1003 . 1 1 13 PRO HD2 H 7.719 -1.085 -1.753 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HD2 . . . . . . . . . c19501_2mdq 1 . 5 . 1004 . 1 1 13 PRO HD3 H 6.480 -2.285 -1.322 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HD3 . . . . . . . . . c19501_2mdq 1 . 5 . 1005 . 1 1 13 PRO HG2 H 8.960 -2.479 -0.362 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HG2 . . . . . . . . . c19501_2mdq 1 . 5 . 1006 . 1 1 13 PRO HG3 H 7.563 -2.860 0.658 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HG3 . . . . . . . . . c19501_2mdq 1 . 5 . 1007 . 1 1 13 PRO N N 6.407 -0.491 -0.204 . . . 1.0 . . . . . . . . . . . . A . 13 PRO N . . . . . . . . . c19501_2mdq 1 . 5 . 1008 . 1 1 13 PRO O O 7.804 2.202 1.676 . . . 1.0 . . . . . . . . . . . . A . 13 PRO O . . . . . . . . . c19501_2mdq 1 . 5 . 1009 . 1 1 14 GLU C C 7.028 4.096 -0.635 . . . 1.0 . . . . . . . . . . . . A . 14 GLU C . . . . . . . . . c19501_2mdq 1 . 5 . 1010 . 1 1 14 GLU CA C 8.033 3.023 -1.044 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CA . . . . . . . . . c19501_2mdq 1 . 5 . 1011 . 1 1 14 GLU CB C 8.099 2.922 -2.564 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CB . . . . . . . . . c19501_2mdq 1 . 5 . 1012 . 1 1 14 GLU CD C 6.879 2.233 -4.673 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CD . . . . . . . . . c19501_2mdq 1 . 5 . 1013 . 1 1 14 GLU CG C 6.951 2.120 -3.180 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CG . . . . . . . . . c19501_2mdq 1 . 5 . 1014 . 1 1 14 GLU H H 7.519 1.022 -1.164 . . . 1.0 . . . . . . . . . . . . A . 14 GLU H . . . . . . . . . c19501_2mdq 1 . 5 . 1015 . 1 1 14 GLU HA H 9.014 3.303 -0.692 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HA . . . . . . . . . c19501_2mdq 1 . 5 . 1016 . 1 1 14 GLU HB2 H 8.031 3.922 -2.953 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HB2 . . . . . . . . . c19501_2mdq 1 . 5 . 1017 . 1 1 14 GLU HB3 H 9.034 2.476 -2.866 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HB3 . . . . . . . . . c19501_2mdq 1 . 5 . 1018 . 1 1 14 GLU HG2 H 7.091 1.078 -2.931 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HG2 . . . . . . . . . c19501_2mdq 1 . 5 . 1019 . 1 1 14 GLU HG3 H 6.019 2.453 -2.750 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HG3 . . . . . . . . . c19501_2mdq 1 . 5 . 1020 . 1 1 14 GLU N N 7.696 1.740 -0.526 . . . 1.0 . . . . . . . . . . . . A . 14 GLU N . . . . . . . . . c19501_2mdq 1 . 5 . 1021 . 1 1 14 GLU O O 7.400 5.244 -0.403 . . . 1.0 . . . . . . . . . . . . A . 14 GLU O . . . . . . . . . c19501_2mdq 1 . 5 . 1022 . 1 1 14 GLU OE1 O 7.787 1.721 -5.370 . . . 1.0 . . . . . . . . . . . . A . 14 GLU OE1 . . . . . . . . . c19501_2mdq 1 . 5 . 1023 . 1 1 14 GLU OE2 O 5.925 2.847 -5.177 . . . 1.0 . . . . . . . . . . . . A . 14 GLU OE2 . . . . . . . . . c19501_2mdq 1 . 5 . 1024 . 1 1 15 ILE C C 4.281 4.512 1.219 . . . 1.0 . . . . . . . . . . . . A . 15 ILE C . . . . . . . . . c19501_2mdq 1 . 5 . 1025 . 1 1 15 ILE CA C 4.764 4.719 -0.201 . . . 1.0 . . . . . . . . . . . . A . 15 ILE CA . . . . . . . . . c19501_2mdq 1 . 5 . 1026 . 1 1 15 ILE CB C 3.546 4.707 -1.178 . . . 1.0 . . . . . . . . . . . . A . 15 ILE CB . . . . . . . . . c19501_2mdq 1 . 5 . 1027 . 1 1 15 ILE CD1 C 2.861 4.526 -3.639 . . . 1.0 . . . . . . . . . . . . A . 15 ILE CD1 . . . . . . . . . c19501_2mdq 1 . 5 . 1028 . 1 1 15 ILE CG1 C 4.003 4.606 -2.638 . . . 1.0 . . . . . . . . . . . . A . 15 ILE CG1 . . . . . . . . . c19501_2mdq 1 . 5 . 1029 . 1 1 15 ILE CG2 C 2.754 6.001 -1.007 . . . 1.0 . . . . . . . . . . . . A . 15 ILE CG2 . . . . . . . . . c19501_2mdq 1 . 5 . 1030 . 1 1 15 ILE H H 5.532 2.787 -0.638 . . . 1.0 . . . . . . . . . . . . A . 15 ILE H . . . . . . . . . c19501_2mdq 1 . 5 . 1031 . 1 1 15 ILE HA H 5.239 5.684 -0.243 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HA . . . . . . . . . c19501_2mdq 1 . 5 . 1032 . 1 1 15 ILE HB H 2.908 3.869 -0.939 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HB . . . . . . . . . c19501_2mdq 1 . 5 . 1033 . 1 1 15 ILE HD11 H 2.250 5.412 -3.556 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HD11 . . . . . . . . . c19501_2mdq 1 . 5 . 1034 . 1 1 15 ILE HD12 H 2.260 3.654 -3.430 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HD12 . . . . . . . . . c19501_2mdq 1 . 5 . 1035 . 1 1 15 ILE HD13 H 3.260 4.454 -4.640 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HD13 . . . . . . . . . c19501_2mdq 1 . 5 . 1036 . 1 1 15 ILE HG12 H 4.600 5.470 -2.885 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HG12 . . . . . . . . . c19501_2mdq 1 . 5 . 1037 . 1 1 15 ILE HG13 H 4.602 3.716 -2.752 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HG13 . . . . . . . . . c19501_2mdq 1 . 5 . 1038 . 1 1 15 ILE HG21 H 2.396 6.072 0.010 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HG21 . . . . . . . . . c19501_2mdq 1 . 5 . 1039 . 1 1 15 ILE HG22 H 1.914 6.002 -1.686 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HG22 . . . . . . . . . c19501_2mdq 1 . 5 . 1040 . 1 1 15 ILE HG23 H 3.392 6.844 -1.224 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HG23 . . . . . . . . . c19501_2mdq 1 . 5 . 1041 . 1 1 15 ILE N N 5.768 3.731 -0.525 . . . 1.0 . . . . . . . . . . . . A . 15 ILE N . . . . . . . . . c19501_2mdq 1 . 5 . 1042 . 1 1 15 ILE O O 4.235 5.449 2.018 . . . 1.0 . . . . . . . . . . . . A . 15 ILE O . . . . . . . . . c19501_2mdq 1 . 5 . 1043 . 1 1 16 CYS C C 3.944 1.516 3.201 . . . 1.0 . . . . . . . . . . . . A . 16 CYS C . . . . . . . . . c19501_2mdq 1 . 5 . 1044 . 1 1 16 CYS CA C 3.441 2.915 2.808 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CA . . . . . . . . . c19501_2mdq 1 . 5 . 1045 . 1 1 16 CYS CB C 1.935 2.967 2.794 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CB . . . . . . . . . c19501_2mdq 1 . 5 . 1046 . 1 1 16 CYS H H 4.019 2.579 0.859 . . . 1.0 . . . . . . . . . . . . A . 16 CYS H . . . . . . . . . c19501_2mdq 1 . 5 . 1047 . 1 1 16 CYS HA H 3.797 3.637 3.521 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HA . . . . . . . . . c19501_2mdq 1 . 5 . 1048 . 1 1 16 CYS HB2 H 1.658 2.400 1.926 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB2 . . . . . . . . . c19501_2mdq 1 . 5 . 1049 . 1 1 16 CYS HB3 H 1.568 2.486 3.679 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB3 . . . . . . . . . c19501_2mdq 1 . 5 . 1050 . 1 1 16 CYS N N 3.940 3.291 1.524 . . . 1.0 . . . . . . . . . . . . A . 16 CYS N . . . . . . . . . c19501_2mdq 1 . 5 . 1051 . 1 1 16 CYS O O 5.015 1.375 3.792 . . . 1.0 . . . . . . . . . . . . A . 16 CYS O . . . . . . . . . c19501_2mdq 1 . 5 . 1052 . 1 1 16 CYS SG S 1.209 4.643 2.625 . . . 1.0 . . . . . . . . . . . . A . 16 CYS SG . . . . . . . . . c19501_2mdq 1 . 5 . 1053 . 1 1 17 NH2 HN1 H 2.360 0.627 2.377 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 HN1 . . . . . . . . . c19501_2mdq 1 . 5 . 1054 . 1 1 17 NH2 HN2 H 3.533 -0.415 3.068 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 HN2 . . . . . . . . . c19501_2mdq 1 . 5 . 1055 . 1 1 17 NH2 N N 3.208 0.482 2.847 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 N . . . . . . . . . c19501_2mdq 1 . 6 . 1056 . 1 1 1 GLY C C -3.454 4.066 -3.582 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c19501_2mdq 1 . 6 . 1057 . 1 1 1 GLY CA C -3.284 5.366 -4.316 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c19501_2mdq 1 . 6 . 1058 . 1 1 1 GLY H1 H -4.485 6.439 -3.051 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c19501_2mdq 1 . 6 . 1059 . 1 1 1 GLY H2 H -5.308 5.737 -4.338 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H2 . . . . . . . . . c19501_2mdq 1 . 6 . 1060 . 1 1 1 GLY H3 H -4.383 7.132 -4.595 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H3 . . . . . . . . . c19501_2mdq 1 . 6 . 1061 . 1 1 1 GLY HA2 H -3.214 5.164 -5.374 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c19501_2mdq 1 . 6 . 1062 . 1 1 1 GLY HA3 H -2.383 5.855 -3.977 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c19501_2mdq 1 . 6 . 1063 . 1 1 1 GLY N N -4.436 6.237 -4.069 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c19501_2mdq 1 . 6 . 1064 . 1 1 1 GLY O O -4.378 3.937 -2.778 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c19501_2mdq 1 . 6 . 1065 . 1 1 2 CYS C C -2.473 1.745 -1.754 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . c19501_2mdq 1 . 6 . 1066 . 1 1 2 CYS CA C -2.638 1.800 -3.233 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . c19501_2mdq 1 . 6 . 1067 . 1 1 2 CYS CB C -1.687 0.880 -3.875 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . c19501_2mdq 1 . 6 . 1068 . 1 1 2 CYS H H -1.801 3.288 -4.408 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . c19501_2mdq 1 . 6 . 1069 . 1 1 2 CYS HA H -3.620 1.437 -3.465 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . c19501_2mdq 1 . 6 . 1070 . 1 1 2 CYS HB2 H -0.873 1.523 -4.153 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . c19501_2mdq 1 . 6 . 1071 . 1 1 2 CYS HB3 H -1.345 0.150 -3.163 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . c19501_2mdq 1 . 6 . 1072 . 1 1 2 CYS N N -2.566 3.119 -3.818 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . c19501_2mdq 1 . 6 . 1073 . 1 1 2 CYS O O -2.859 0.779 -1.136 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . c19501_2mdq 1 . 6 . 1074 . 1 1 2 CYS SG S -2.318 0.068 -5.359 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . c19501_2mdq 1 . 6 . 1075 . 1 1 3 CYS C C -3.116 2.911 0.958 . . . 1.0 . . . . . . . . . . . . A . 3 CYS C . . . . . . . . . c19501_2mdq 1 . 6 . 1076 . 1 1 3 CYS CA C -1.792 2.765 0.245 . . . 1.0 . . . . . . . . . . . . A . 3 CYS CA . . . . . . . . . c19501_2mdq 1 . 6 . 1077 . 1 1 3 CYS CB C -0.765 3.729 0.727 . . . 1.0 . . . . . . . . . . . . A . 3 CYS CB . . . . . . . . . c19501_2mdq 1 . 6 . 1078 . 1 1 3 CYS H H -1.552 3.467 -1.730 . . . 1.0 . . . . . . . . . . . . A . 3 CYS H . . . . . . . . . c19501_2mdq 1 . 6 . 1079 . 1 1 3 CYS HA H -1.458 1.768 0.486 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HA . . . . . . . . . c19501_2mdq 1 . 6 . 1080 . 1 1 3 CYS HB2 H -0.708 4.535 0.007 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HB2 . . . . . . . . . c19501_2mdq 1 . 6 . 1081 . 1 1 3 CYS HB3 H -1.133 4.106 1.662 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HB3 . . . . . . . . . c19501_2mdq 1 . 6 . 1082 . 1 1 3 CYS N N -1.913 2.739 -1.180 . . . 1.0 . . . . . . . . . . . . A . 3 CYS N . . . . . . . . . c19501_2mdq 1 . 6 . 1083 . 1 1 3 CYS O O -3.278 2.452 2.075 . . . 1.0 . . . . . . . . . . . . A . 3 CYS O . . . . . . . . . c19501_2mdq 1 . 6 . 1084 . 1 1 3 CYS SG S 0.896 2.998 0.915 . . . 1.0 . . . . . . . . . . . . A . 3 CYS SG . . . . . . . . . c19501_2mdq 1 . 6 . 1085 . 1 1 4 SER C C -6.141 2.221 0.616 . . . 1.0 . . . . . . . . . . . . A . 4 SER C . . . . . . . . . c19501_2mdq 1 . 6 . 1086 . 1 1 4 SER CA C -5.414 3.580 0.788 . . . 1.0 . . . . . . . . . . . . A . 4 SER CA . . . . . . . . . c19501_2mdq 1 . 6 . 1087 . 1 1 4 SER CB C -6.145 4.661 0.005 . . . 1.0 . . . . . . . . . . . . A . 4 SER CB . . . . . . . . . c19501_2mdq 1 . 6 . 1088 . 1 1 4 SER H H -3.788 3.902 -0.552 . . . 1.0 . . . . . . . . . . . . A . 4 SER H . . . . . . . . . c19501_2mdq 1 . 6 . 1089 . 1 1 4 SER HA H -5.387 3.851 1.831 . . . 1.0 . . . . . . . . . . . . A . 4 SER HA . . . . . . . . . c19501_2mdq 1 . 6 . 1090 . 1 1 4 SER HB2 H -6.287 4.325 -1.011 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB2 . . . . . . . . . c19501_2mdq 1 . 6 . 1091 . 1 1 4 SER HB3 H -7.103 4.859 0.463 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB3 . . . . . . . . . c19501_2mdq 1 . 6 . 1092 . 1 1 4 SER HG H -5.434 6.244 0.877 . . . 1.0 . . . . . . . . . . . . A . 4 SER HG . . . . . . . . . c19501_2mdq 1 . 6 . 1093 . 1 1 4 SER N N -4.053 3.484 0.292 . . . 1.0 . . . . . . . . . . . . A . 4 SER N . . . . . . . . . c19501_2mdq 1 . 6 . 1094 . 1 1 4 SER O O -7.301 2.076 0.972 . . . 1.0 . . . . . . . . . . . . A . 4 SER O . . . . . . . . . c19501_2mdq 1 . 6 . 1095 . 1 1 4 SER OG O -5.384 5.862 -0.010 . . . 1.0 . . . . . . . . . . . . A . 4 SER OG . . . . . . . . . c19501_2mdq 1 . 6 . 1096 . 1 1 5 HIS C C -5.132 -1.123 0.538 . . . 1.0 . . . . . . . . . . . . A . 5 HIS C . . . . . . . . . c19501_2mdq 1 . 6 . 1097 . 1 1 5 HIS CA C -5.966 -0.074 -0.216 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CA . . . . . . . . . c19501_2mdq 1 . 6 . 1098 . 1 1 5 HIS CB C -5.906 -0.331 -1.732 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CB . . . . . . . . . c19501_2mdq 1 . 6 . 1099 . 1 1 5 HIS CD2 C -6.456 1.845 -3.032 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CD2 . . . . . . . . . c19501_2mdq 1 . 6 . 1100 . 1 1 5 HIS CE1 C -8.426 1.349 -3.759 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CE1 . . . . . . . . . c19501_2mdq 1 . 6 . 1101 . 1 1 5 HIS CG C -6.737 0.608 -2.570 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CG . . . . . . . . . c19501_2mdq 1 . 6 . 1102 . 1 1 5 HIS H H -4.486 1.383 -0.141 . . . 1.0 . . . . . . . . . . . . A . 5 HIS H . . . . . . . . . c19501_2mdq 1 . 6 . 1103 . 1 1 5 HIS HA H -6.991 -0.115 0.117 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HA . . . . . . . . . c19501_2mdq 1 . 6 . 1104 . 1 1 5 HIS HB2 H -4.877 -0.214 -2.039 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB2 . . . . . . . . . c19501_2mdq 1 . 6 . 1105 . 1 1 5 HIS HB3 H -6.232 -1.337 -1.935 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB3 . . . . . . . . . c19501_2mdq 1 . 6 . 1106 . 1 1 5 HIS HD1 H -8.494 -0.516 -2.867 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD1 . . . . . . . . . c19501_2mdq 1 . 6 . 1107 . 1 1 5 HIS HD2 H -5.545 2.399 -2.846 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD2 . . . . . . . . . c19501_2mdq 1 . 6 . 1108 . 1 1 5 HIS HE1 H -9.385 1.392 -4.254 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HE1 . . . . . . . . . c19501_2mdq 1 . 6 . 1109 . 1 1 5 HIS N N -5.433 1.243 0.071 . . . 1.0 . . . . . . . . . . . . A . 5 HIS N . . . . . . . . . c19501_2mdq 1 . 6 . 1110 . 1 1 5 HIS ND1 N -7.993 0.312 -3.041 . . . 1.0 . . . . . . . . . . . . A . 5 HIS ND1 . . . . . . . . . c19501_2mdq 1 . 6 . 1111 . 1 1 5 HIS NE2 N -7.524 2.315 -3.783 . . . 1.0 . . . . . . . . . . . . A . 5 HIS NE2 . . . . . . . . . c19501_2mdq 1 . 6 . 1112 . 1 1 5 HIS O O -3.985 -1.356 0.187 . . . 1.0 . . . . . . . . . . . . A . 5 HIS O . . . . . . . . . c19501_2mdq 1 . 6 . 1113 . 1 1 6 PRO C C -4.054 -3.724 1.809 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . c19501_2mdq 1 . 6 . 1114 . 1 1 6 PRO CA C -4.977 -2.689 2.492 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . c19501_2mdq 1 . 6 . 1115 . 1 1 6 PRO CB C -6.107 -3.396 3.236 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . c19501_2mdq 1 . 6 . 1116 . 1 1 6 PRO CD C -7.127 -1.636 1.977 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . c19501_2mdq 1 . 6 . 1117 . 1 1 6 PRO CG C -7.201 -2.390 3.280 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . c19501_2mdq 1 . 6 . 1118 . 1 1 6 PRO HA H -4.387 -2.136 3.205 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . c19501_2mdq 1 . 6 . 1119 . 1 1 6 PRO HB2 H -6.399 -4.281 2.688 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB2 . . . . . . . . . c19501_2mdq 1 . 6 . 1120 . 1 1 6 PRO HB3 H -5.780 -3.669 4.228 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . c19501_2mdq 1 . 6 . 1121 . 1 1 6 PRO HD2 H -7.774 -2.093 1.244 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD2 . . . . . . . . . c19501_2mdq 1 . 6 . 1122 . 1 1 6 PRO HD3 H -7.394 -0.601 2.130 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . c19501_2mdq 1 . 6 . 1123 . 1 1 6 PRO HG2 H -8.155 -2.887 3.374 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG2 . . . . . . . . . c19501_2mdq 1 . 6 . 1124 . 1 1 6 PRO HG3 H -7.047 -1.716 4.110 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . c19501_2mdq 1 . 6 . 1125 . 1 1 6 PRO N N -5.707 -1.764 1.579 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . c19501_2mdq 1 . 6 . 1126 . 1 1 6 PRO O O -2.884 -3.857 2.187 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . c19501_2mdq 1 . 6 . 1127 . 1 1 7 ALA C C -2.701 -4.876 -0.799 . . . 1.0 . . . . . . . . . . . . A . 7 ALA C . . . . . . . . . c19501_2mdq 1 . 6 . 1128 . 1 1 7 ALA CA C -3.769 -5.459 0.137 . . . 1.0 . . . . . . . . . . . . A . 7 ALA CA . . . . . . . . . c19501_2mdq 1 . 6 . 1129 . 1 1 7 ALA CB C -4.648 -6.464 -0.590 . . . 1.0 . . . . . . . . . . . . A . 7 ALA CB . . . . . . . . . c19501_2mdq 1 . 6 . 1130 . 1 1 7 ALA H H -5.486 -4.261 0.547 . . . 1.0 . . . . . . . . . . . . A . 7 ALA H . . . . . . . . . c19501_2mdq 1 . 6 . 1131 . 1 1 7 ALA HA H -3.242 -5.988 0.919 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HA . . . . . . . . . c19501_2mdq 1 . 6 . 1132 . 1 1 7 ALA HB1 H -5.117 -5.988 -1.437 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB1 . . . . . . . . . c19501_2mdq 1 . 6 . 1133 . 1 1 7 ALA HB2 H -5.408 -6.831 0.083 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB2 . . . . . . . . . c19501_2mdq 1 . 6 . 1134 . 1 1 7 ALA HB3 H -4.044 -7.291 -0.934 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB3 . . . . . . . . . c19501_2mdq 1 . 6 . 1135 . 1 1 7 ALA N N -4.560 -4.435 0.823 . . . 1.0 . . . . . . . . . . . . A . 7 ALA N . . . . . . . . . c19501_2mdq 1 . 6 . 1136 . 1 1 7 ALA O O -1.612 -5.432 -0.928 . . . 1.0 . . . . . . . . . . . . A . 7 ALA O . . . . . . . . . c19501_2mdq 1 . 6 . 1137 . 1 1 8 CYS C C -1.027 -2.319 -1.669 . . . 1.0 . . . . . . . . . . . . A . 8 CYS C . . . . . . . . . c19501_2mdq 1 . 6 . 1138 . 1 1 8 CYS CA C -2.077 -3.146 -2.404 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CA . . . . . . . . . c19501_2mdq 1 . 6 . 1139 . 1 1 8 CYS CB C -2.852 -2.250 -3.389 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CB . . . . . . . . . c19501_2mdq 1 . 6 . 1140 . 1 1 8 CYS H H -3.862 -3.319 -1.240 . . . 1.0 . . . . . . . . . . . . A . 8 CYS H . . . . . . . . . c19501_2mdq 1 . 6 . 1141 . 1 1 8 CYS HA H -1.589 -3.942 -2.946 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HA . . . . . . . . . c19501_2mdq 1 . 6 . 1142 . 1 1 8 CYS HB2 H -3.804 -2.704 -3.621 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB2 . . . . . . . . . c19501_2mdq 1 . 6 . 1143 . 1 1 8 CYS HB3 H -3.021 -1.309 -2.881 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB3 . . . . . . . . . c19501_2mdq 1 . 6 . 1144 . 1 1 8 CYS N N -2.998 -3.749 -1.424 . . . 1.0 . . . . . . . . . . . . A . 8 CYS N . . . . . . . . . c19501_2mdq 1 . 6 . 1145 . 1 1 8 CYS O O 0.023 -1.984 -2.203 . . . 1.0 . . . . . . . . . . . . A . 8 CYS O . . . . . . . . . c19501_2mdq 1 . 6 . 1146 . 1 1 8 CYS SG S -1.969 -1.896 -4.972 . . . 1.0 . . . . . . . . . . . . A . 8 CYS SG . . . . . . . . . c19501_2mdq 1 . 6 . 1147 . 1 1 9 ASN C C 0.832 -2.033 0.674 . . . 1.0 . . . . . . . . . . . . A . 9 ASN C . . . . . . . . . c19501_2mdq 1 . 6 . 1148 . 1 1 9 ASN CA C -0.460 -1.261 0.469 . . . 1.0 . . . . . . . . . . . . A . 9 ASN CA . . . . . . . . . c19501_2mdq 1 . 6 . 1149 . 1 1 9 ASN CB C -1.152 -1.160 1.811 . . . 1.0 . . . . . . . . . . . . A . 9 ASN CB . . . . . . . . . c19501_2mdq 1 . 6 . 1150 . 1 1 9 ASN CG C -0.505 -0.202 2.774 . . . 1.0 . . . . . . . . . . . . A . 9 ASN CG . . . . . . . . . c19501_2mdq 1 . 6 . 1151 . 1 1 9 ASN H H -2.233 -2.254 -0.114 . . . 1.0 . . . . . . . . . . . . A . 9 ASN H . . . . . . . . . c19501_2mdq 1 . 6 . 1152 . 1 1 9 ASN HA H -0.272 -0.272 0.089 . . . 1.0 . . . . . . . . . . . . A . 9 ASN HA . . . . . . . . . c19501_2mdq 1 . 6 . 1153 . 1 1 9 ASN HB2 H -2.186 -0.896 1.661 . . . 1.0 . . . . . . . . . . . . A . 9 ASN HB2 . . . . . . . . . c19501_2mdq 1 . 6 . 1154 . 1 1 9 ASN HB3 H -1.107 -2.151 2.229 . . . 1.0 . . . . . . . . . . . . A . 9 ASN HB3 . . . . . . . . . c19501_2mdq 1 . 6 . 1155 . 1 1 9 ASN HD21 H -1.873 1.129 2.354 . . . 1.0 . . . . . . . . . . . . A . 9 ASN HD21 . . . . . . . . . c19501_2mdq 1 . 6 . 1156 . 1 1 9 ASN HD22 H -0.680 1.620 3.498 . . . 1.0 . . . . . . . . . . . . A . 9 ASN HD22 . . . . . . . . . c19501_2mdq 1 . 6 . 1157 . 1 1 9 ASN N N -1.336 -2.006 -0.431 . . . 1.0 . . . . . . . . . . . . A . 9 ASN N . . . . . . . . . c19501_2mdq 1 . 6 . 1158 . 1 1 9 ASN ND2 N -1.068 0.955 2.889 . . . 1.0 . . . . . . . . . . . . A . 9 ASN ND2 . . . . . . . . . c19501_2mdq 1 . 6 . 1159 . 1 1 9 ASN O O 1.935 -1.473 0.705 . . . 1.0 . . . . . . . . . . . . A . 9 ASN O . . . . . . . . . c19501_2mdq 1 . 6 . 1160 . 1 1 9 ASN OD1 O 0.444 -0.542 3.467 . . . 1.0 . . . . . . . . . . . . A . 9 ASN OD1 . . . . . . . . . c19501_2mdq 1 . 6 . 1161 . 1 1 10 VAL C C 2.868 -4.226 0.024 . . . 1.0 . . . . . . . . . . . . A . 10 VAL C . . . . . . . . . c19501_2mdq 1 . 6 . 1162 . 1 1 10 VAL CA C 1.727 -4.286 1.046 . . . 1.0 . . . . . . . . . . . . A . 10 VAL CA . . . . . . . . . c19501_2mdq 1 . 6 . 1163 . 1 1 10 VAL CB C 1.163 -5.727 1.129 . . . 1.0 . . . . . . . . . . . . A . 10 VAL CB . . . . . . . . . c19501_2mdq 1 . 6 . 1164 . 1 1 10 VAL CG1 C 2.256 -6.760 1.399 . . . 1.0 . . . . . . . . . . . . A . 10 VAL CG1 . . . . . . . . . c19501_2mdq 1 . 6 . 1165 . 1 1 10 VAL CG2 C 0.089 -5.812 2.192 . . . 1.0 . . . . . . . . . . . . A . 10 VAL CG2 . . . . . . . . . c19501_2mdq 1 . 6 . 1166 . 1 1 10 VAL H H -0.260 -3.648 0.664 . . . 1.0 . . . . . . . . . . . . A . 10 VAL H . . . . . . . . . c19501_2mdq 1 . 6 . 1167 . 1 1 10 VAL HA H 2.130 -4.045 2.016 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HA . . . . . . . . . c19501_2mdq 1 . 6 . 1168 . 1 1 10 VAL HB H 0.708 -5.938 0.176 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HB . . . . . . . . . c19501_2mdq 1 . 6 . 1169 . 1 1 10 VAL HG11 H 1.816 -7.744 1.457 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG11 . . . . . . . . . c19501_2mdq 1 . 6 . 1170 . 1 1 10 VAL HG12 H 2.748 -6.526 2.331 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG12 . . . . . . . . . c19501_2mdq 1 . 6 . 1171 . 1 1 10 VAL HG13 H 2.979 -6.735 0.597 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG13 . . . . . . . . . c19501_2mdq 1 . 6 . 1172 . 1 1 10 VAL HG21 H -0.729 -5.154 1.937 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG21 . . . . . . . . . c19501_2mdq 1 . 6 . 1173 . 1 1 10 VAL HG22 H 0.505 -5.522 3.146 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG22 . . . . . . . . . c19501_2mdq 1 . 6 . 1174 . 1 1 10 VAL HG23 H -0.268 -6.828 2.254 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG23 . . . . . . . . . c19501_2mdq 1 . 6 . 1175 . 1 1 10 VAL N N 0.661 -3.331 0.777 . . . 1.0 . . . . . . . . . . . . A . 10 VAL N . . . . . . . . . c19501_2mdq 1 . 6 . 1176 . 1 1 10 VAL O O 4.039 -4.356 0.387 . . . 1.0 . . . . . . . . . . . . A . 10 VAL O . . . . . . . . . c19501_2mdq 1 . 6 . 1177 . 1 1 11 ASP C C 4.224 -2.662 -2.502 . . . 1.0 . . . . . . . . . . . . A . 11 ASP C . . . . . . . . . c19501_2mdq 1 . 6 . 1178 . 1 1 11 ASP CA C 3.622 -4.016 -2.220 . . . 1.0 . . . . . . . . . . . . A . 11 ASP CA . . . . . . . . . c19501_2mdq 1 . 6 . 1179 . 1 1 11 ASP CB C 3.237 -4.748 -3.514 . . . 1.0 . . . . . . . . . . . . A . 11 ASP CB . . . . . . . . . c19501_2mdq 1 . 6 . 1180 . 1 1 11 ASP CG C 2.193 -4.054 -4.342 . . . 1.0 . . . . . . . . . . . . A . 11 ASP CG . . . . . . . . . c19501_2mdq 1 . 6 . 1181 . 1 1 11 ASP H H 1.644 -3.771 -1.497 . . . 1.0 . . . . . . . . . . . . A . 11 ASP H . . . . . . . . . c19501_2mdq 1 . 6 . 1182 . 1 1 11 ASP HA H 4.409 -4.576 -1.743 . . . 1.0 . . . . . . . . . . . . A . 11 ASP HA . . . . . . . . . c19501_2mdq 1 . 6 . 1183 . 1 1 11 ASP HB2 H 4.120 -4.844 -4.128 . . . 1.0 . . . . . . . . . . . . A . 11 ASP HB2 . . . . . . . . . c19501_2mdq 1 . 6 . 1184 . 1 1 11 ASP HB3 H 2.881 -5.736 -3.264 . . . 1.0 . . . . . . . . . . . . A . 11 ASP HB3 . . . . . . . . . c19501_2mdq 1 . 6 . 1185 . 1 1 11 ASP N N 2.563 -3.982 -1.228 . . . 1.0 . . . . . . . . . . . . A . 11 ASP N . . . . . . . . . c19501_2mdq 1 . 6 . 1186 . 1 1 11 ASP O O 5.156 -2.555 -3.311 . . . 1.0 . . . . . . . . . . . . A . 11 ASP O . . . . . . . . . c19501_2mdq 1 . 6 . 1187 . 1 1 11 ASP OD1 O 0.990 -4.267 -4.099 . . . 1.0 . . . . . . . . . . . . A . 11 ASP OD1 . . . . . . . . . c19501_2mdq 1 . 6 . 1188 . 1 1 11 ASP OD2 O 2.565 -3.327 -5.291 . . . 1.0 . . . . . . . . . . . . A . 11 ASP OD2 . . . . . . . . . c19501_2mdq 1 . 6 . 1189 . 1 1 12 HIS C C 4.969 0.196 -0.688 . . . 1.0 . . . . . . . . . . . . A . 12 HIS C . . . . . . . . . c19501_2mdq 1 . 6 . 1190 . 1 1 12 HIS CA C 4.303 -0.327 -1.971 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CA . . . . . . . . . c19501_2mdq 1 . 6 . 1191 . 1 1 12 HIS CB C 3.252 0.658 -2.429 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CB . . . . . . . . . c19501_2mdq 1 . 6 . 1192 . 1 1 12 HIS CD2 C 1.657 -0.111 -4.314 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CD2 . . . . . . . . . c19501_2mdq 1 . 6 . 1193 . 1 1 12 HIS CE1 C 2.703 0.721 -6.032 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CE1 . . . . . . . . . c19501_2mdq 1 . 6 . 1194 . 1 1 12 HIS CG C 2.769 0.496 -3.840 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CG . . . . . . . . . c19501_2mdq 1 . 6 . 1195 . 1 1 12 HIS H H 3.029 -1.736 -1.174 . . . 1.0 . . . . . . . . . . . . A . 12 HIS H . . . . . . . . . c19501_2mdq 1 . 6 . 1196 . 1 1 12 HIS HA H 5.049 -0.388 -2.742 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HA . . . . . . . . . c19501_2mdq 1 . 6 . 1197 . 1 1 12 HIS HB2 H 2.414 0.555 -1.763 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HB2 . . . . . . . . . c19501_2mdq 1 . 6 . 1198 . 1 1 12 HIS HB3 H 3.667 1.636 -2.290 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HB3 . . . . . . . . . c19501_2mdq 1 . 6 . 1199 . 1 1 12 HIS HD1 H 4.280 1.507 -4.959 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HD1 . . . . . . . . . c19501_2mdq 1 . 6 . 1200 . 1 1 12 HIS HD2 H 0.929 -0.646 -3.721 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HD2 . . . . . . . . . c19501_2mdq 1 . 6 . 1201 . 1 1 12 HIS HE1 H 2.978 0.999 -7.040 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HE1 . . . . . . . . . c19501_2mdq 1 . 6 . 1202 . 1 1 12 HIS N N 3.761 -1.640 -1.813 . . . 1.0 . . . . . . . . . . . . A . 12 HIS N . . . . . . . . . c19501_2mdq 1 . 6 . 1203 . 1 1 12 HIS ND1 N 3.420 1.016 -4.947 . . . 1.0 . . . . . . . . . . . . A . 12 HIS ND1 . . . . . . . . . c19501_2mdq 1 . 6 . 1204 . 1 1 12 HIS NE2 N 1.616 0.039 -5.708 . . . 1.0 . . . . . . . . . . . . A . 12 HIS NE2 . . . . . . . . . c19501_2mdq 1 . 6 . 1205 . 1 1 12 HIS O O 4.405 1.060 0.009 . . . 1.0 . . . . . . . . . . . . A . 12 HIS O . . . . . . . . . c19501_2mdq 1 . 6 . 1206 . 1 1 13 PRO C C 7.456 1.586 0.638 . . . 1.0 . . . . . . . . . . . . A . 13 PRO C . . . . . . . . . c19501_2mdq 1 . 6 . 1207 . 1 1 13 PRO CA C 6.920 0.176 0.847 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CA . . . . . . . . . c19501_2mdq 1 . 6 . 1208 . 1 1 13 PRO CB C 8.076 -0.825 1.003 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CB . . . . . . . . . c19501_2mdq 1 . 6 . 1209 . 1 1 13 PRO CD C 6.932 -1.368 -1.014 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CD . . . . . . . . . c19501_2mdq 1 . 6 . 1210 . 1 1 13 PRO CG C 7.728 -1.962 0.104 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CG . . . . . . . . . c19501_2mdq 1 . 6 . 1211 . 1 1 13 PRO HA H 6.291 0.167 1.722 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HA . . . . . . . . . c19501_2mdq 1 . 6 . 1212 . 1 1 13 PRO HB2 H 9.000 -0.352 0.706 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HB2 . . . . . . . . . c19501_2mdq 1 . 6 . 1213 . 1 1 13 PRO HB3 H 8.146 -1.143 2.033 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HB3 . . . . . . . . . c19501_2mdq 1 . 6 . 1214 . 1 1 13 PRO HD2 H 7.580 -0.975 -1.781 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HD2 . . . . . . . . . c19501_2mdq 1 . 6 . 1215 . 1 1 13 PRO HD3 H 6.254 -2.100 -1.429 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HD3 . . . . . . . . . c19501_2mdq 1 . 6 . 1216 . 1 1 13 PRO HG2 H 8.631 -2.418 -0.273 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HG2 . . . . . . . . . c19501_2mdq 1 . 6 . 1217 . 1 1 13 PRO HG3 H 7.136 -2.687 0.643 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HG3 . . . . . . . . . c19501_2mdq 1 . 6 . 1218 . 1 1 13 PRO N N 6.188 -0.298 -0.338 . . . 1.0 . . . . . . . . . . . . A . 13 PRO N . . . . . . . . . c19501_2mdq 1 . 6 . 1219 . 1 1 13 PRO O O 7.922 2.242 1.569 . . . 1.0 . . . . . . . . . . . . A . 13 PRO O . . . . . . . . . c19501_2mdq 1 . 6 . 1220 . 1 1 14 GLU C C 6.902 4.412 -0.313 . . . 1.0 . . . . . . . . . . . . A . 14 GLU C . . . . . . . . . c19501_2mdq 1 . 6 . 1221 . 1 1 14 GLU CA C 7.772 3.353 -1.007 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CA . . . . . . . . . c19501_2mdq 1 . 6 . 1222 . 1 1 14 GLU CB C 7.639 3.446 -2.525 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CB . . . . . . . . . c19501_2mdq 1 . 6 . 1223 . 1 1 14 GLU CD C 6.134 3.238 -4.536 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CD . . . . . . . . . c19501_2mdq 1 . 6 . 1224 . 1 1 14 GLU CG C 6.225 3.240 -3.042 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CG . . . . . . . . . c19501_2mdq 1 . 6 . 1225 . 1 1 14 GLU H H 7.019 1.443 -1.289 . . . 1.0 . . . . . . . . . . . . A . 14 GLU H . . . . . . . . . c19501_2mdq 1 . 6 . 1226 . 1 1 14 GLU HA H 8.806 3.500 -0.738 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HA . . . . . . . . . c19501_2mdq 1 . 6 . 1227 . 1 1 14 GLU HB2 H 7.961 4.427 -2.818 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HB2 . . . . . . . . . c19501_2mdq 1 . 6 . 1228 . 1 1 14 GLU HB3 H 8.283 2.715 -2.988 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HB3 . . . . . . . . . c19501_2mdq 1 . 6 . 1229 . 1 1 14 GLU HG2 H 5.842 2.303 -2.669 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HG2 . . . . . . . . . c19501_2mdq 1 . 6 . 1230 . 1 1 14 GLU HG3 H 5.625 4.054 -2.663 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HG3 . . . . . . . . . c19501_2mdq 1 . 6 . 1231 . 1 1 14 GLU N N 7.370 2.039 -0.598 . . . 1.0 . . . . . . . . . . . . A . 14 GLU N . . . . . . . . . c19501_2mdq 1 . 6 . 1232 . 1 1 14 GLU O O 7.335 5.540 -0.065 . . . 1.0 . . . . . . . . . . . . A . 14 GLU O . . . . . . . . . c19501_2mdq 1 . 6 . 1233 . 1 1 14 GLU OE1 O 6.301 4.294 -5.159 . . . 1.0 . . . . . . . . . . . . A . 14 GLU OE1 . . . . . . . . . c19501_2mdq 1 . 6 . 1234 . 1 1 14 GLU OE2 O 5.866 2.180 -5.111 . . . 1.0 . . . . . . . . . . . . A . 14 GLU OE2 . . . . . . . . . c19501_2mdq 1 . 6 . 1235 . 1 1 15 ILE C C 4.647 4.406 2.090 . . . 1.0 . . . . . . . . . . . . A . 15 ILE C . . . . . . . . . c19501_2mdq 1 . 6 . 1236 . 1 1 15 ILE CA C 4.791 4.927 0.696 . . . 1.0 . . . . . . . . . . . . A . 15 ILE CA . . . . . . . . . c19501_2mdq 1 . 6 . 1237 . 1 1 15 ILE CB C 3.375 4.995 0.062 . . . 1.0 . . . . . . . . . . . . A . 15 ILE CB . . . . . . . . . c19501_2mdq 1 . 6 . 1238 . 1 1 15 ILE CD1 C 4.164 6.521 -1.832 . . . 1.0 . . . . . . . . . . . . A . 15 ILE CD1 . . . . . . . . . c19501_2mdq 1 . 6 . 1239 . 1 1 15 ILE CG1 C 3.428 5.260 -1.441 . . . 1.0 . . . . . . . . . . . . A . 15 ILE CG1 . . . . . . . . . c19501_2mdq 1 . 6 . 1240 . 1 1 15 ILE CG2 C 2.529 6.062 0.755 . . . 1.0 . . . . . . . . . . . . A . 15 ILE CG2 . . . . . . . . . c19501_2mdq 1 . 6 . 1241 . 1 1 15 ILE H H 5.376 3.139 -0.249 . . . 1.0 . . . . . . . . . . . . A . 15 ILE H . . . . . . . . . c19501_2mdq 1 . 6 . 1242 . 1 1 15 ILE HA H 5.223 5.913 0.724 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HA . . . . . . . . . c19501_2mdq 1 . 6 . 1243 . 1 1 15 ILE HB H 2.896 4.042 0.236 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HB . . . . . . . . . c19501_2mdq 1 . 6 . 1244 . 1 1 15 ILE HD11 H 3.687 7.375 -1.375 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HD11 . . . . . . . . . c19501_2mdq 1 . 6 . 1245 . 1 1 15 ILE HD12 H 4.137 6.617 -2.906 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HD12 . . . . . . . . . c19501_2mdq 1 . 6 . 1246 . 1 1 15 ILE HD13 H 5.188 6.446 -1.499 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HD13 . . . . . . . . . c19501_2mdq 1 . 6 . 1247 . 1 1 15 ILE HG12 H 3.891 4.420 -1.934 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HG12 . . . . . . . . . c19501_2mdq 1 . 6 . 1248 . 1 1 15 ILE HG13 H 2.412 5.343 -1.794 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HG13 . . . . . . . . . c19501_2mdq 1 . 6 . 1249 . 1 1 15 ILE HG21 H 1.548 6.096 0.303 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HG21 . . . . . . . . . c19501_2mdq 1 . 6 . 1250 . 1 1 15 ILE HG22 H 3.012 7.021 0.644 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HG22 . . . . . . . . . c19501_2mdq 1 . 6 . 1251 . 1 1 15 ILE HG23 H 2.437 5.824 1.805 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HG23 . . . . . . . . . c19501_2mdq 1 . 6 . 1252 . 1 1 15 ILE N N 5.676 4.041 -0.006 . . . 1.0 . . . . . . . . . . . . A . 15 ILE N . . . . . . . . . c19501_2mdq 1 . 6 . 1253 . 1 1 15 ILE O O 5.000 5.065 3.068 . . . 1.0 . . . . . . . . . . . . A . 15 ILE O . . . . . . . . . c19501_2mdq 1 . 6 . 1254 . 1 1 16 CYS C C 4.946 1.471 3.652 . . . 1.0 . . . . . . . . . . . . A . 16 CYS C . . . . . . . . . c19501_2mdq 1 . 6 . 1255 . 1 1 16 CYS CA C 3.911 2.544 3.391 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CA . . . . . . . . . c19501_2mdq 1 . 6 . 1256 . 1 1 16 CYS CB C 2.537 1.953 3.305 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CB . . . . . . . . . c19501_2mdq 1 . 6 . 1257 . 1 1 16 CYS H H 3.998 2.721 1.329 . . . 1.0 . . . . . . . . . . . . A . 16 CYS H . . . . . . . . . c19501_2mdq 1 . 6 . 1258 . 1 1 16 CYS HA H 3.916 3.267 4.186 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HA . . . . . . . . . c19501_2mdq 1 . 6 . 1259 . 1 1 16 CYS HB2 H 2.584 1.238 2.507 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB2 . . . . . . . . . c19501_2mdq 1 . 6 . 1260 . 1 1 16 CYS HB3 H 2.286 1.461 4.232 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB3 . . . . . . . . . c19501_2mdq 1 . 6 . 1261 . 1 1 16 CYS N N 4.183 3.207 2.160 . . . 1.0 . . . . . . . . . . . . A . 16 CYS N . . . . . . . . . c19501_2mdq 1 . 6 . 1262 . 1 1 16 CYS O O 4.834 0.351 3.162 . . . 1.0 . . . . . . . . . . . . A . 16 CYS O . . . . . . . . . c19501_2mdq 1 . 6 . 1263 . 1 1 16 CYS SG S 1.247 3.186 2.915 . . . 1.0 . . . . . . . . . . . . A . 16 CYS SG . . . . . . . . . c19501_2mdq 1 . 6 . 1264 . 1 1 17 NH2 HN1 H 6.001 2.736 4.726 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 HN1 . . . . . . . . . c19501_2mdq 1 . 6 . 1265 . 1 1 17 NH2 HN2 H 6.698 1.172 4.509 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 HN2 . . . . . . . . . c19501_2mdq 1 . 6 . 1266 . 1 1 17 NH2 N N 5.982 1.826 4.365 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 N . . . . . . . . . c19501_2mdq 1 . 7 . 1267 . 1 1 1 GLY C C -4.021 3.713 -3.511 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c19501_2mdq 1 . 7 . 1268 . 1 1 1 GLY CA C -4.239 5.066 -4.109 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c19501_2mdq 1 . 7 . 1269 . 1 1 1 GLY H1 H -4.996 5.828 -2.352 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c19501_2mdq 1 . 7 . 1270 . 1 1 1 GLY H2 H -6.159 5.217 -3.406 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H2 . . . . . . . . . c19501_2mdq 1 . 7 . 1271 . 1 1 1 GLY H3 H -5.457 6.720 -3.705 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H3 . . . . . . . . . c19501_2mdq 1 . 7 . 1272 . 1 1 1 GLY HA2 H -4.557 4.950 -5.133 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c19501_2mdq 1 . 7 . 1273 . 1 1 1 GLY HA3 H -3.323 5.638 -4.075 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c19501_2mdq 1 . 7 . 1274 . 1 1 1 GLY N N -5.276 5.761 -3.352 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c19501_2mdq 1 . 7 . 1275 . 1 1 1 GLY O O -4.835 3.270 -2.690 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c19501_2mdq 1 . 7 . 1276 . 1 1 2 CYS C C -2.424 1.691 -1.871 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . c19501_2mdq 1 . 7 . 1277 . 1 1 2 CYS CA C -2.627 1.764 -3.343 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . c19501_2mdq 1 . 7 . 1278 . 1 1 2 CYS CB C -1.503 1.142 -4.074 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . c19501_2mdq 1 . 7 . 1279 . 1 1 2 CYS H H -2.246 3.482 -4.425 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . c19501_2mdq 1 . 7 . 1280 . 1 1 2 CYS HA H -3.503 1.191 -3.570 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . c19501_2mdq 1 . 7 . 1281 . 1 1 2 CYS HB2 H -0.912 1.980 -4.396 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . c19501_2mdq 1 . 7 . 1282 . 1 1 2 CYS HB3 H -0.929 0.514 -3.415 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . c19501_2mdq 1 . 7 . 1283 . 1 1 2 CYS N N -2.919 3.077 -3.835 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . c19501_2mdq 1 . 7 . 1284 . 1 1 2 CYS O O -2.626 0.666 -1.287 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . c19501_2mdq 1 . 7 . 1285 . 1 1 2 CYS SG S -2.017 0.206 -5.540 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . c19501_2mdq 1 . 7 . 1286 . 1 1 3 CYS C C -3.240 2.819 0.848 . . . 1.0 . . . . . . . . . . . . A . 3 CYS C . . . . . . . . . c19501_2mdq 1 . 7 . 1287 . 1 1 3 CYS CA C -1.914 2.795 0.143 . . . 1.0 . . . . . . . . . . . . A . 3 CYS CA . . . . . . . . . c19501_2mdq 1 . 7 . 1288 . 1 1 3 CYS CB C -1.012 3.900 0.598 . . . 1.0 . . . . . . . . . . . . A . 3 CYS CB . . . . . . . . . c19501_2mdq 1 . 7 . 1289 . 1 1 3 CYS H H -1.859 3.562 -1.812 . . . 1.0 . . . . . . . . . . . . A . 3 CYS H . . . . . . . . . c19501_2mdq 1 . 7 . 1290 . 1 1 3 CYS HA H -1.460 1.853 0.396 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HA . . . . . . . . . c19501_2mdq 1 . 7 . 1291 . 1 1 3 CYS HB2 H -1.147 4.731 -0.078 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HB2 . . . . . . . . . c19501_2mdq 1 . 7 . 1292 . 1 1 3 CYS HB3 H -1.333 4.188 1.581 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HB3 . . . . . . . . . c19501_2mdq 1 . 7 . 1293 . 1 1 3 CYS N N -2.058 2.767 -1.275 . . . 1.0 . . . . . . . . . . . . A . 3 CYS N . . . . . . . . . c19501_2mdq 1 . 7 . 1294 . 1 1 3 CYS O O -3.387 2.238 1.914 . . . 1.0 . . . . . . . . . . . . A . 3 CYS O . . . . . . . . . c19501_2mdq 1 . 7 . 1295 . 1 1 3 CYS SG S 0.750 3.472 0.595 . . . 1.0 . . . . . . . . . . . . A . 3 CYS SG . . . . . . . . . c19501_2mdq 1 . 7 . 1296 . 1 1 4 SER C C -6.210 2.079 0.647 . . . 1.0 . . . . . . . . . . . . A . 4 SER C . . . . . . . . . c19501_2mdq 1 . 7 . 1297 . 1 1 4 SER CA C -5.570 3.488 0.740 . . . 1.0 . . . . . . . . . . . . A . 4 SER CA . . . . . . . . . c19501_2mdq 1 . 7 . 1298 . 1 1 4 SER CB C -6.371 4.493 -0.086 . . . 1.0 . . . . . . . . . . . . A . 4 SER CB . . . . . . . . . c19501_2mdq 1 . 7 . 1299 . 1 1 4 SER H H -3.957 3.889 -0.608 . . . 1.0 . . . . . . . . . . . . A . 4 SER H . . . . . . . . . c19501_2mdq 1 . 7 . 1300 . 1 1 4 SER HA H -5.540 3.804 1.773 . . . 1.0 . . . . . . . . . . . . A . 4 SER HA . . . . . . . . . c19501_2mdq 1 . 7 . 1301 . 1 1 4 SER HB2 H -6.549 4.088 -1.071 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB2 . . . . . . . . . c19501_2mdq 1 . 7 . 1302 . 1 1 4 SER HB3 H -7.314 4.690 0.404 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB3 . . . . . . . . . c19501_2mdq 1 . 7 . 1303 . 1 1 4 SER HG H -5.543 6.092 0.673 . . . 1.0 . . . . . . . . . . . . A . 4 SER HG . . . . . . . . . c19501_2mdq 1 . 7 . 1304 . 1 1 4 SER N N -4.201 3.435 0.226 . . . 1.0 . . . . . . . . . . . . A . 4 SER N . . . . . . . . . c19501_2mdq 1 . 7 . 1305 . 1 1 4 SER O O -7.205 1.770 1.310 . . . 1.0 . . . . . . . . . . . . A . 4 SER O . . . . . . . . . c19501_2mdq 1 . 7 . 1306 . 1 1 4 SER OG O -5.654 5.721 -0.212 . . . 1.0 . . . . . . . . . . . . A . 4 SER OG . . . . . . . . . c19501_2mdq 1 . 7 . 1307 . 1 1 5 HIS C C -5.095 -1.014 0.470 . . . 1.0 . . . . . . . . . . . . A . 5 HIS C . . . . . . . . . c19501_2mdq 1 . 7 . 1308 . 1 1 5 HIS CA C -5.993 -0.126 -0.380 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CA . . . . . . . . . c19501_2mdq 1 . 7 . 1309 . 1 1 5 HIS CB C -5.826 -0.512 -1.858 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CB . . . . . . . . . c19501_2mdq 1 . 7 . 1310 . 1 1 5 HIS CD2 C -7.167 1.278 -3.170 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CD2 . . . . . . . . . c19501_2mdq 1 . 7 . 1311 . 1 1 5 HIS CE1 C -8.556 -0.021 -4.214 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CE1 . . . . . . . . . c19501_2mdq 1 . 7 . 1312 . 1 1 5 HIS CG C -6.885 0.012 -2.783 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CG . . . . . . . . . c19501_2mdq 1 . 7 . 1313 . 1 1 5 HIS H H -4.829 1.582 -0.680 . . . 1.0 . . . . . . . . . . . . A . 5 HIS H . . . . . . . . . c19501_2mdq 1 . 7 . 1314 . 1 1 5 HIS HA H -7.026 -0.248 -0.094 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HA . . . . . . . . . c19501_2mdq 1 . 7 . 1315 . 1 1 5 HIS HB2 H -4.881 -0.098 -2.183 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB2 . . . . . . . . . c19501_2mdq 1 . 7 . 1316 . 1 1 5 HIS HB3 H -5.777 -1.585 -1.954 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB3 . . . . . . . . . c19501_2mdq 1 . 7 . 1317 . 1 1 5 HIS HD1 H -7.828 -1.777 -3.391 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD1 . . . . . . . . . c19501_2mdq 1 . 7 . 1318 . 1 1 5 HIS HD2 H -6.647 2.166 -2.837 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD2 . . . . . . . . . c19501_2mdq 1 . 7 . 1319 . 1 1 5 HIS HE1 H -9.346 -0.389 -4.854 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HE1 . . . . . . . . . c19501_2mdq 1 . 7 . 1320 . 1 1 5 HIS N N -5.607 1.252 -0.184 . . . 1.0 . . . . . . . . . . . . A . 5 HIS N . . . . . . . . . c19501_2mdq 1 . 7 . 1321 . 1 1 5 HIS ND1 N -7.777 -0.797 -3.454 . . . 1.0 . . . . . . . . . . . . A . 5 HIS ND1 . . . . . . . . . c19501_2mdq 1 . 7 . 1322 . 1 1 5 HIS NE2 N -8.228 1.259 -4.078 . . . 1.0 . . . . . . . . . . . . A . 5 HIS NE2 . . . . . . . . . c19501_2mdq 1 . 7 . 1323 . 1 1 5 HIS O O -3.930 -1.174 0.153 . . . 1.0 . . . . . . . . . . . . A . 5 HIS O . . . . . . . . . c19501_2mdq 1 . 7 . 1324 . 1 1 6 PRO C C -4.009 -3.539 1.769 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . c19501_2mdq 1 . 7 . 1325 . 1 1 6 PRO CA C -4.827 -2.447 2.485 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . c19501_2mdq 1 . 7 . 1326 . 1 1 6 PRO CB C -5.903 -3.078 3.365 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . c19501_2mdq 1 . 7 . 1327 . 1 1 6 PRO CD C -7.014 -1.463 2.020 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . c19501_2mdq 1 . 7 . 1328 . 1 1 6 PRO CG C -6.978 -2.054 3.400 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . c19501_2mdq 1 . 7 . 1329 . 1 1 6 PRO HA H -4.163 -1.852 3.096 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . c19501_2mdq 1 . 7 . 1330 . 1 1 6 PRO HB2 H -6.241 -4.000 2.917 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB2 . . . . . . . . . c19501_2mdq 1 . 7 . 1331 . 1 1 6 PRO HB3 H -5.508 -3.269 4.352 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . c19501_2mdq 1 . 7 . 1332 . 1 1 6 PRO HD2 H -7.684 -2.021 1.385 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD2 . . . . . . . . . c19501_2mdq 1 . 7 . 1333 . 1 1 6 PRO HD3 H -7.306 -0.424 2.062 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . c19501_2mdq 1 . 7 . 1334 . 1 1 6 PRO HG2 H -7.925 -2.512 3.641 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG2 . . . . . . . . . c19501_2mdq 1 . 7 . 1335 . 1 1 6 PRO HG3 H -6.737 -1.291 4.125 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . c19501_2mdq 1 . 7 . 1336 . 1 1 6 PRO N N -5.613 -1.594 1.564 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . c19501_2mdq 1 . 7 . 1337 . 1 1 6 PRO O O -2.875 -3.838 2.157 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . c19501_2mdq 1 . 7 . 1338 . 1 1 7 ALA C C -2.726 -4.605 -0.846 . . . 1.0 . . . . . . . . . . . . A . 7 ALA C . . . . . . . . . c19501_2mdq 1 . 7 . 1339 . 1 1 7 ALA CA C -3.893 -5.150 -0.028 . . . 1.0 . . . . . . . . . . . . A . 7 ALA CA . . . . . . . . . c19501_2mdq 1 . 7 . 1340 . 1 1 7 ALA CB C -4.869 -5.891 -0.922 . . . 1.0 . . . . . . . . . . . . A . 7 ALA CB . . . . . . . . . c19501_2mdq 1 . 7 . 1341 . 1 1 7 ALA H H -5.452 -3.794 0.432 . . . 1.0 . . . . . . . . . . . . A . 7 ALA H . . . . . . . . . c19501_2mdq 1 . 7 . 1342 . 1 1 7 ALA HA H -3.499 -5.851 0.692 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HA . . . . . . . . . c19501_2mdq 1 . 7 . 1343 . 1 1 7 ALA HB1 H -4.380 -6.746 -1.364 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB1 . . . . . . . . . c19501_2mdq 1 . 7 . 1344 . 1 1 7 ALA HB2 H -5.205 -5.230 -1.706 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB2 . . . . . . . . . c19501_2mdq 1 . 7 . 1345 . 1 1 7 ALA HB3 H -5.717 -6.218 -0.338 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB3 . . . . . . . . . c19501_2mdq 1 . 7 . 1346 . 1 1 7 ALA N N -4.564 -4.103 0.718 . . . 1.0 . . . . . . . . . . . . A . 7 ALA N . . . . . . . . . c19501_2mdq 1 . 7 . 1347 . 1 1 7 ALA O O -1.641 -5.152 -0.808 . . . 1.0 . . . . . . . . . . . . A . 7 ALA O . . . . . . . . . c19501_2mdq 1 . 7 . 1348 . 1 1 8 CYS C C -0.882 -2.118 -1.639 . . . 1.0 . . . . . . . . . . . . A . 8 CYS C . . . . . . . . . c19501_2mdq 1 . 7 . 1349 . 1 1 8 CYS CA C -1.916 -2.921 -2.428 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CA . . . . . . . . . c19501_2mdq 1 . 7 . 1350 . 1 1 8 CYS CB C -2.597 -2.011 -3.466 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CB . . . . . . . . . c19501_2mdq 1 . 7 . 1351 . 1 1 8 CYS H H -3.773 -2.993 -1.368 . . . 1.0 . . . . . . . . . . . . A . 8 CYS H . . . . . . . . . c19501_2mdq 1 . 7 . 1352 . 1 1 8 CYS HA H -1.426 -3.739 -2.934 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HA . . . . . . . . . c19501_2mdq 1 . 7 . 1353 . 1 1 8 CYS HB2 H -3.559 -2.424 -3.729 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB2 . . . . . . . . . c19501_2mdq 1 . 7 . 1354 . 1 1 8 CYS HB3 H -2.748 -1.053 -2.984 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB3 . . . . . . . . . c19501_2mdq 1 . 7 . 1355 . 1 1 8 CYS N N -2.931 -3.474 -1.506 . . . 1.0 . . . . . . . . . . . . A . 8 CYS N . . . . . . . . . c19501_2mdq 1 . 7 . 1356 . 1 1 8 CYS O O 0.161 -1.726 -2.149 . . . 1.0 . . . . . . . . . . . . A . 8 CYS O . . . . . . . . . c19501_2mdq 1 . 7 . 1357 . 1 1 8 CYS SG S -1.637 -1.722 -5.014 . . . 1.0 . . . . . . . . . . . . A . 8 CYS SG . . . . . . . . . c19501_2mdq 1 . 7 . 1358 . 1 1 9 ASN C C 0.953 -1.827 0.734 . . . 1.0 . . . . . . . . . . . . A . 9 ASN C . . . . . . . . . c19501_2mdq 1 . 7 . 1359 . 1 1 9 ASN CA C -0.371 -1.135 0.531 . . . 1.0 . . . . . . . . . . . . A . 9 ASN CA . . . . . . . . . c19501_2mdq 1 . 7 . 1360 . 1 1 9 ASN CB C -1.087 -1.067 1.861 . . . 1.0 . . . . . . . . . . . . A . 9 ASN CB . . . . . . . . . c19501_2mdq 1 . 7 . 1361 . 1 1 9 ASN CG C -0.446 -0.136 2.853 . . . 1.0 . . . . . . . . . . . . A . 9 ASN CG . . . . . . . . . c19501_2mdq 1 . 7 . 1362 . 1 1 9 ASN H H -2.071 -2.218 -0.078 . . . 1.0 . . . . . . . . . . . . A . 9 ASN H . . . . . . . . . c19501_2mdq 1 . 7 . 1363 . 1 1 9 ASN HA H -0.227 -0.134 0.166 . . . 1.0 . . . . . . . . . . . . A . 9 ASN HA . . . . . . . . . c19501_2mdq 1 . 7 . 1364 . 1 1 9 ASN HB2 H -2.118 -0.796 1.702 . . . 1.0 . . . . . . . . . . . . A . 9 ASN HB2 . . . . . . . . . c19501_2mdq 1 . 7 . 1365 . 1 1 9 ASN HB3 H -1.050 -2.067 2.256 . . . 1.0 . . . . . . . . . . . . A . 9 ASN HB3 . . . . . . . . . c19501_2mdq 1 . 7 . 1366 . 1 1 9 ASN HD21 H -1.678 1.269 2.290 . . . 1.0 . . . . . . . . . . . . A . 9 ASN HD21 . . . . . . . . . c19501_2mdq 1 . 7 . 1367 . 1 1 9 ASN HD22 H -0.546 1.730 3.511 . . . 1.0 . . . . . . . . . . . . A . 9 ASN HD22 . . . . . . . . . c19501_2mdq 1 . 7 . 1368 . 1 1 9 ASN N N -1.202 -1.888 -0.390 . . . 1.0 . . . . . . . . . . . . A . 9 ASN N . . . . . . . . . c19501_2mdq 1 . 7 . 1369 . 1 1 9 ASN ND2 N -0.931 1.070 2.897 . . . 1.0 . . . . . . . . . . . . A . 9 ASN ND2 . . . . . . . . . c19501_2mdq 1 . 7 . 1370 . 1 1 9 ASN O O 2.016 -1.215 0.677 . . . 1.0 . . . . . . . . . . . . A . 9 ASN O . . . . . . . . . c19501_2mdq 1 . 7 . 1371 . 1 1 9 ASN OD1 O 0.443 -0.521 3.615 . . . 1.0 . . . . . . . . . . . . A . 9 ASN OD1 . . . . . . . . . c19501_2mdq 1 . 7 . 1372 . 1 1 10 VAL C C 3.043 -3.979 0.104 . . . 1.0 . . . . . . . . . . . . A . 10 VAL C . . . . . . . . . c19501_2mdq 1 . 7 . 1373 . 1 1 10 VAL CA C 1.990 -3.982 1.226 . . . 1.0 . . . . . . . . . . . . A . 10 VAL CA . . . . . . . . . c19501_2mdq 1 . 7 . 1374 . 1 1 10 VAL CB C 1.519 -5.434 1.510 . . . 1.0 . . . . . . . . . . . . A . 10 VAL CB . . . . . . . . . c19501_2mdq 1 . 7 . 1375 . 1 1 10 VAL CG1 C 2.679 -6.346 1.891 . . . 1.0 . . . . . . . . . . . . A . 10 VAL CG1 . . . . . . . . . c19501_2mdq 1 . 7 . 1376 . 1 1 10 VAL CG2 C 0.443 -5.458 2.587 . . . 1.0 . . . . . . . . . . . . A . 10 VAL CG2 . . . . . . . . . c19501_2mdq 1 . 7 . 1377 . 1 1 10 VAL H H -0.047 -3.494 0.849 . . . 1.0 . . . . . . . . . . . . A . 10 VAL H . . . . . . . . . c19501_2mdq 1 . 7 . 1378 . 1 1 10 VAL HA H 2.453 -3.606 2.122 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HA . . . . . . . . . c19501_2mdq 1 . 7 . 1379 . 1 1 10 VAL HB H 1.086 -5.797 0.594 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HB . . . . . . . . . c19501_2mdq 1 . 7 . 1380 . 1 1 10 VAL HG11 H 3.157 -5.967 2.783 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG11 . . . . . . . . . c19501_2mdq 1 . 7 . 1381 . 1 1 10 VAL HG12 H 3.397 -6.373 1.084 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG12 . . . . . . . . . c19501_2mdq 1 . 7 . 1382 . 1 1 10 VAL HG13 H 2.308 -7.344 2.077 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG13 . . . . . . . . . c19501_2mdq 1 . 7 . 1383 . 1 1 10 VAL HG21 H 0.841 -5.041 3.500 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG21 . . . . . . . . . c19501_2mdq 1 . 7 . 1384 . 1 1 10 VAL HG22 H 0.133 -6.478 2.764 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG22 . . . . . . . . . c19501_2mdq 1 . 7 . 1385 . 1 1 10 VAL HG23 H -0.406 -4.874 2.265 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG23 . . . . . . . . . c19501_2mdq 1 . 7 . 1386 . 1 1 10 VAL N N 0.856 -3.120 0.923 . . . 1.0 . . . . . . . . . . . . A . 10 VAL N . . . . . . . . . c19501_2mdq 1 . 7 . 1387 . 1 1 10 VAL O O 4.248 -4.032 0.371 . . . 1.0 . . . . . . . . . . . . A . 10 VAL O . . . . . . . . . c19501_2mdq 1 . 7 . 1388 . 1 1 11 ASP C C 4.090 -2.543 -2.616 . . . 1.0 . . . . . . . . . . . . A . 11 ASP C . . . . . . . . . c19501_2mdq 1 . 7 . 1389 . 1 1 11 ASP CA C 3.543 -3.913 -2.254 . . . 1.0 . . . . . . . . . . . . A . 11 ASP CA . . . . . . . . . c19501_2mdq 1 . 7 . 1390 . 1 1 11 ASP CB C 3.013 -4.686 -3.485 . . . 1.0 . . . . . . . . . . . . A . 11 ASP CB . . . . . . . . . c19501_2mdq 1 . 7 . 1391 . 1 1 11 ASP CG C 1.739 -4.142 -4.082 . . . 1.0 . . . . . . . . . . . . A . 11 ASP CG . . . . . . . . . c19501_2mdq 1 . 7 . 1392 . 1 1 11 ASP H H 1.648 -3.760 -1.319 . . . 1.0 . . . . . . . . . . . . A . 11 ASP H . . . . . . . . . c19501_2mdq 1 . 7 . 1393 . 1 1 11 ASP HA H 4.393 -4.449 -1.859 . . . 1.0 . . . . . . . . . . . . A . 11 ASP HA . . . . . . . . . c19501_2mdq 1 . 7 . 1394 . 1 1 11 ASP HB2 H 3.765 -4.669 -4.257 . . . 1.0 . . . . . . . . . . . . A . 11 ASP HB2 . . . . . . . . . c19501_2mdq 1 . 7 . 1395 . 1 1 11 ASP HB3 H 2.845 -5.714 -3.198 . . . 1.0 . . . . . . . . . . . . A . 11 ASP HB3 . . . . . . . . . c19501_2mdq 1 . 7 . 1396 . 1 1 11 ASP N N 2.606 -3.874 -1.136 . . . 1.0 . . . . . . . . . . . . A . 11 ASP N . . . . . . . . . c19501_2mdq 1 . 7 . 1397 . 1 1 11 ASP O O 4.851 -2.398 -3.591 . . . 1.0 . . . . . . . . . . . . A . 11 ASP O . . . . . . . . . c19501_2mdq 1 . 7 . 1398 . 1 1 11 ASP OD1 O 0.658 -4.474 -3.567 . . . 1.0 . . . . . . . . . . . . A . 11 ASP OD1 . . . . . . . . . c19501_2mdq 1 . 7 . 1399 . 1 1 11 ASP OD2 O 1.794 -3.428 -5.101 . . . 1.0 . . . . . . . . . . . . A . 11 ASP OD2 . . . . . . . . . c19501_2mdq 1 . 7 . 1400 . 1 1 12 HIS C C 5.047 0.160 -0.664 . . . 1.0 . . . . . . . . . . . . A . 12 HIS C . . . . . . . . . c19501_2mdq 1 . 7 . 1401 . 1 1 12 HIS CA C 4.311 -0.230 -1.952 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CA . . . . . . . . . c19501_2mdq 1 . 7 . 1402 . 1 1 12 HIS CB C 3.239 0.790 -2.250 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CB . . . . . . . . . c19501_2mdq 1 . 7 . 1403 . 1 1 12 HIS CD2 C 1.762 -0.038 -4.201 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CD2 . . . . . . . . . c19501_2mdq 1 . 7 . 1404 . 1 1 12 HIS CE1 C 2.348 1.396 -5.712 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CE1 . . . . . . . . . c19501_2mdq 1 . 7 . 1405 . 1 1 12 HIS CG C 2.693 0.765 -3.640 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CG . . . . . . . . . c19501_2mdq 1 . 7 . 1406 . 1 1 12 HIS H H 3.085 -1.650 -1.113 . . . 1.0 . . . . . . . . . . . . A . 12 HIS H . . . . . . . . . c19501_2mdq 1 . 7 . 1407 . 1 1 12 HIS HA H 5.009 -0.247 -2.771 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HA . . . . . . . . . c19501_2mdq 1 . 7 . 1408 . 1 1 12 HIS HB2 H 2.431 0.578 -1.571 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HB2 . . . . . . . . . c19501_2mdq 1 . 7 . 1409 . 1 1 12 HIS HB3 H 3.636 1.759 -2.020 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HB3 . . . . . . . . . c19501_2mdq 1 . 7 . 1410 . 1 1 12 HIS HD1 H 3.740 2.365 -4.560 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HD1 . . . . . . . . . c19501_2mdq 1 . 7 . 1411 . 1 1 12 HIS HD2 H 1.265 -0.867 -3.714 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HD2 . . . . . . . . . c19501_2mdq 1 . 7 . 1412 . 1 1 12 HIS HE1 H 2.428 1.949 -6.636 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HE1 . . . . . . . . . c19501_2mdq 1 . 7 . 1413 . 1 1 12 HIS N N 3.748 -1.542 -1.826 . . . 1.0 . . . . . . . . . . . . A . 12 HIS N . . . . . . . . . c19501_2mdq 1 . 7 . 1414 . 1 1 12 HIS ND1 N 3.055 1.663 -4.620 . . . 1.0 . . . . . . . . . . . . A . 12 HIS ND1 . . . . . . . . . c19501_2mdq 1 . 7 . 1415 . 1 1 12 HIS NE2 N 1.546 0.370 -5.519 . . . 1.0 . . . . . . . . . . . . A . 12 HIS NE2 . . . . . . . . . c19501_2mdq 1 . 7 . 1416 . 1 1 12 HIS O O 4.599 1.044 0.069 . . . 1.0 . . . . . . . . . . . . A . 12 HIS O . . . . . . . . . c19501_2mdq 1 . 7 . 1417 . 1 1 13 PRO C C 7.632 1.105 0.953 . . . 1.0 . . . . . . . . . . . . A . 13 PRO C . . . . . . . . . c19501_2mdq 1 . 7 . 1418 . 1 1 13 PRO CA C 6.948 -0.247 0.870 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CA . . . . . . . . . c19501_2mdq 1 . 7 . 1419 . 1 1 13 PRO CB C 7.992 -1.379 0.880 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CB . . . . . . . . . c19501_2mdq 1 . 7 . 1420 . 1 1 13 PRO CD C 6.963 -1.340 -1.286 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CD . . . . . . . . . c19501_2mdq 1 . 7 . 1421 . 1 1 13 PRO CG C 7.702 -2.215 -0.327 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CG . . . . . . . . . c19501_2mdq 1 . 7 . 1422 . 1 1 13 PRO HA H 6.287 -0.352 1.715 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HA . . . . . . . . . c19501_2mdq 1 . 7 . 1423 . 1 1 13 PRO HB2 H 8.981 -0.951 0.828 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HB2 . . . . . . . . . c19501_2mdq 1 . 7 . 1424 . 1 1 13 PRO HB3 H 7.897 -1.956 1.789 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HB3 . . . . . . . . . c19501_2mdq 1 . 7 . 1425 . 1 1 13 PRO HD2 H 7.649 -0.786 -1.909 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HD2 . . . . . . . . . c19501_2mdq 1 . 7 . 1426 . 1 1 13 PRO HD3 H 6.282 -1.924 -1.889 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HD3 . . . . . . . . . c19501_2mdq 1 . 7 . 1427 . 1 1 13 PRO HG2 H 8.630 -2.543 -0.769 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HG2 . . . . . . . . . c19501_2mdq 1 . 7 . 1428 . 1 1 13 PRO HG3 H 7.098 -3.067 -0.053 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HG3 . . . . . . . . . c19501_2mdq 1 . 7 . 1429 . 1 1 13 PRO N N 6.228 -0.441 -0.396 . . . 1.0 . . . . . . . . . . . . A . 13 PRO N . . . . . . . . . c19501_2mdq 1 . 7 . 1430 . 1 1 13 PRO O O 8.035 1.558 2.026 . . . 1.0 . . . . . . . . . . . . A . 13 PRO O . . . . . . . . . c19501_2mdq 1 . 7 . 1431 . 1 1 14 GLU C C 7.398 4.126 0.027 . . . 1.0 . . . . . . . . . . . . A . 14 GLU C . . . . . . . . . c19501_2mdq 1 . 7 . 1432 . 1 1 14 GLU CA C 8.381 3.002 -0.293 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CA . . . . . . . . . c19501_2mdq 1 . 7 . 1433 . 1 1 14 GLU CB C 8.973 3.140 -1.678 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CB . . . . . . . . . c19501_2mdq 1 . 7 . 1434 . 1 1 14 GLU CD C 8.689 2.988 -4.154 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CD . . . . . . . . . c19501_2mdq 1 . 7 . 1435 . 1 1 14 GLU CG C 8.009 2.877 -2.822 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CG . . . . . . . . . c19501_2mdq 1 . 7 . 1436 . 1 1 14 GLU H H 7.434 1.300 -0.991 . . . 1.0 . . . . . . . . . . . . A . 14 GLU H . . . . . . . . . c19501_2mdq 1 . 7 . 1437 . 1 1 14 GLU HA H 9.186 3.040 0.426 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HA . . . . . . . . . c19501_2mdq 1 . 7 . 1438 . 1 1 14 GLU HB2 H 9.296 4.160 -1.766 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HB2 . . . . . . . . . c19501_2mdq 1 . 7 . 1439 . 1 1 14 GLU HB3 H 9.823 2.482 -1.777 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HB3 . . . . . . . . . c19501_2mdq 1 . 7 . 1440 . 1 1 14 GLU HG2 H 7.603 1.881 -2.724 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HG2 . . . . . . . . . c19501_2mdq 1 . 7 . 1441 . 1 1 14 GLU HG3 H 7.209 3.601 -2.780 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HG3 . . . . . . . . . c19501_2mdq 1 . 7 . 1442 . 1 1 14 GLU N N 7.762 1.730 -0.178 . . . 1.0 . . . . . . . . . . . . A . 14 GLU N . . . . . . . . . c19501_2mdq 1 . 7 . 1443 . 1 1 14 GLU O O 7.796 5.259 0.340 . . . 1.0 . . . . . . . . . . . . A . 14 GLU O . . . . . . . . . c19501_2mdq 1 . 7 . 1444 . 1 1 14 GLU OE1 O 9.224 1.977 -4.641 . . . 1.0 . . . . . . . . . . . . A . 14 GLU OE1 . . . . . . . . . c19501_2mdq 1 . 7 . 1445 . 1 1 14 GLU OE2 O 8.717 4.095 -4.728 . . . 1.0 . . . . . . . . . . . . A . 14 GLU OE2 . . . . . . . . . c19501_2mdq 1 . 7 . 1446 . 1 1 15 ILE C C 4.587 4.431 1.673 . . . 1.0 . . . . . . . . . . . . A . 15 ILE C . . . . . . . . . c19501_2mdq 1 . 7 . 1447 . 1 1 15 ILE CA C 5.110 4.785 0.301 . . . 1.0 . . . . . . . . . . . . A . 15 ILE CA . . . . . . . . . c19501_2mdq 1 . 7 . 1448 . 1 1 15 ILE CB C 3.925 4.794 -0.706 . . . 1.0 . . . . . . . . . . . . A . 15 ILE CB . . . . . . . . . c19501_2mdq 1 . 7 . 1449 . 1 1 15 ILE CD1 C 3.338 4.898 -3.199 . . . 1.0 . . . . . . . . . . . . A . 15 ILE CD1 . . . . . . . . . c19501_2mdq 1 . 7 . 1450 . 1 1 15 ILE CG1 C 4.438 4.874 -2.152 . . . 1.0 . . . . . . . . . . . . A . 15 ILE CG1 . . . . . . . . . c19501_2mdq 1 . 7 . 1451 . 1 1 15 ILE CG2 C 3.006 5.984 -0.411 . . . 1.0 . . . . . . . . . . . . A . 15 ILE CG2 . . . . . . . . . c19501_2mdq 1 . 7 . 1452 . 1 1 15 ILE H H 5.856 2.915 -0.315 . . . 1.0 . . . . . . . . . . . . A . 15 ILE H . . . . . . . . . c19501_2mdq 1 . 7 . 1453 . 1 1 15 ILE HA H 5.566 5.759 0.342 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HA . . . . . . . . . c19501_2mdq 1 . 7 . 1454 . 1 1 15 ILE HB H 3.358 3.885 -0.577 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HB . . . . . . . . . c19501_2mdq 1 . 7 . 1455 . 1 1 15 ILE HD11 H 2.691 5.743 -3.017 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HD11 . . . . . . . . . c19501_2mdq 1 . 7 . 1456 . 1 1 15 ILE HD12 H 2.762 3.986 -3.137 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HD12 . . . . . . . . . c19501_2mdq 1 . 7 . 1457 . 1 1 15 ILE HD13 H 3.776 4.986 -4.181 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HD13 . . . . . . . . . c19501_2mdq 1 . 7 . 1458 . 1 1 15 ILE HG12 H 5.038 5.761 -2.279 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HG12 . . . . . . . . . c19501_2mdq 1 . 7 . 1459 . 1 1 15 ILE HG13 H 5.044 4.000 -2.337 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HG13 . . . . . . . . . c19501_2mdq 1 . 7 . 1460 . 1 1 15 ILE HG21 H 2.184 5.982 -1.112 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HG21 . . . . . . . . . c19501_2mdq 1 . 7 . 1461 . 1 1 15 ILE HG22 H 3.563 6.903 -0.513 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HG22 . . . . . . . . . c19501_2mdq 1 . 7 . 1462 . 1 1 15 ILE HG23 H 2.623 5.903 0.595 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HG23 . . . . . . . . . c19501_2mdq 1 . 7 . 1463 . 1 1 15 ILE N N 6.124 3.817 -0.045 . . . 1.0 . . . . . . . . . . . . A . 15 ILE N . . . . . . . . . c19501_2mdq 1 . 7 . 1464 . 1 1 15 ILE O O 4.444 5.281 2.554 . . . 1.0 . . . . . . . . . . . . A . 15 ILE O . . . . . . . . . c19501_2mdq 1 . 7 . 1465 . 1 1 16 CYS C C 4.618 1.375 3.447 . . . 1.0 . . . . . . . . . . . . A . 16 CYS C . . . . . . . . . c19501_2mdq 1 . 7 . 1466 . 1 1 16 CYS CA C 3.831 2.617 3.051 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CA . . . . . . . . . c19501_2mdq 1 . 7 . 1467 . 1 1 16 CYS CB C 2.391 2.262 2.863 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CB . . . . . . . . . c19501_2mdq 1 . 7 . 1468 . 1 1 16 CYS H H 4.470 2.533 1.105 . . . 1.0 . . . . . . . . . . . . A . 16 CYS H . . . . . . . . . c19501_2mdq 1 . 7 . 1469 . 1 1 16 CYS HA H 3.894 3.363 3.820 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HA . . . . . . . . . c19501_2mdq 1 . 7 . 1470 . 1 1 16 CYS HB2 H 2.374 1.620 2.003 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB2 . . . . . . . . . c19501_2mdq 1 . 7 . 1471 . 1 1 16 CYS HB3 H 2.056 1.723 3.731 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB3 . . . . . . . . . c19501_2mdq 1 . 7 . 1472 . 1 1 16 CYS N N 4.335 3.166 1.840 . . . 1.0 . . . . . . . . . . . . A . 16 CYS N . . . . . . . . . c19501_2mdq 1 . 7 . 1473 . 1 1 16 CYS O O 4.267 0.258 3.083 . . . 1.0 . . . . . . . . . . . . A . 16 CYS O . . . . . . . . . c19501_2mdq 1 . 7 . 1474 . 1 1 16 CYS SG S 1.280 3.676 2.545 . . . 1.0 . . . . . . . . . . . . A . 16 CYS SG . . . . . . . . . c19501_2mdq 1 . 7 . 1475 . 1 1 17 NH2 HN1 H 5.897 2.490 4.418 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 HN1 . . . . . . . . . c19501_2mdq 1 . 7 . 1476 . 1 1 17 NH2 HN2 H 6.213 0.784 4.423 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 HN2 . . . . . . . . . c19501_2mdq 1 . 7 . 1477 . 1 1 17 NH2 N N 5.682 1.567 4.169 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 N . . . . . . . . . c19501_2mdq 1 . 8 . 1478 . 1 1 1 GLY C C -3.825 4.466 -3.040 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c19501_2mdq 1 . 8 . 1479 . 1 1 1 GLY CA C -3.830 5.831 -3.669 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c19501_2mdq 1 . 8 . 1480 . 1 1 1 GLY H1 H -5.825 6.136 -3.381 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c19501_2mdq 1 . 8 . 1481 . 1 1 1 GLY H2 H -5.424 5.442 -4.877 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H2 . . . . . . . . . c19501_2mdq 1 . 8 . 1482 . 1 1 1 GLY H3 H -5.173 7.093 -4.622 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H3 . . . . . . . . . c19501_2mdq 1 . 8 . 1483 . 1 1 1 GLY HA2 H -3.129 5.841 -4.489 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c19501_2mdq 1 . 8 . 1484 . 1 1 1 GLY HA3 H -3.535 6.564 -2.937 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c19501_2mdq 1 . 8 . 1485 . 1 1 1 GLY N N -5.152 6.157 -4.172 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c19501_2mdq 1 . 8 . 1486 . 1 1 1 GLY O O -4.747 4.119 -2.287 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c19501_2mdq 1 . 8 . 1487 . 1 1 2 CYS C C -2.515 2.224 -1.365 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . c19501_2mdq 1 . 8 . 1488 . 1 1 2 CYS CA C -2.657 2.348 -2.844 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . c19501_2mdq 1 . 8 . 1489 . 1 1 2 CYS CB C -1.530 1.670 -3.513 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . c19501_2mdq 1 . 8 . 1490 . 1 1 2 CYS H H -2.061 4.042 -3.874 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . c19501_2mdq 1 . 8 . 1491 . 1 1 2 CYS HA H -3.550 1.841 -3.150 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . c19501_2mdq 1 . 8 . 1492 . 1 1 2 CYS HB2 H -0.839 2.478 -3.676 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . c19501_2mdq 1 . 8 . 1493 . 1 1 2 CYS HB3 H -1.099 0.950 -2.840 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . c19501_2mdq 1 . 8 . 1494 . 1 1 2 CYS N N -2.791 3.698 -3.317 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . c19501_2mdq 1 . 8 . 1495 . 1 1 2 CYS O O -2.674 1.159 -0.824 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . c19501_2mdq 1 . 8 . 1496 . 1 1 2 CYS SG S -1.939 0.921 -5.113 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . c19501_2mdq 1 . 8 . 1497 . 1 1 3 CYS C C -3.473 2.997 1.359 . . . 1.0 . . . . . . . . . . . . A . 3 CYS C . . . . . . . . . c19501_2mdq 1 . 8 . 1498 . 1 1 3 CYS CA C -2.124 3.259 0.709 . . . 1.0 . . . . . . . . . . . . A . 3 CYS CA . . . . . . . . . c19501_2mdq 1 . 8 . 1499 . 1 1 3 CYS CB C -1.487 4.506 1.220 . . . 1.0 . . . . . . . . . . . . A . 3 CYS CB . . . . . . . . . c19501_2mdq 1 . 8 . 1500 . 1 1 3 CYS H H -2.010 4.102 -1.210 . . . 1.0 . . . . . . . . . . . . A . 3 CYS H . . . . . . . . . c19501_2mdq 1 . 8 . 1501 . 1 1 3 CYS HA H -1.499 2.414 0.932 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HA . . . . . . . . . c19501_2mdq 1 . 8 . 1502 . 1 1 3 CYS HB2 H -1.980 5.333 0.728 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HB2 . . . . . . . . . c19501_2mdq 1 . 8 . 1503 . 1 1 3 CYS HB3 H -1.684 4.556 2.270 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HB3 . . . . . . . . . c19501_2mdq 1 . 8 . 1504 . 1 1 3 CYS N N -2.215 3.281 -0.717 . . . 1.0 . . . . . . . . . . . . A . 3 CYS N . . . . . . . . . c19501_2mdq 1 . 8 . 1505 . 1 1 3 CYS O O -3.573 2.319 2.380 . . . 1.0 . . . . . . . . . . . . A . 3 CYS O . . . . . . . . . c19501_2mdq 1 . 8 . 1506 . 1 1 3 CYS SG S 0.288 4.649 0.863 . . . 1.0 . . . . . . . . . . . . A . 3 CYS SG . . . . . . . . . c19501_2mdq 1 . 8 . 1507 . 1 1 4 SER C C -6.353 1.872 0.677 . . . 1.0 . . . . . . . . . . . . A . 4 SER C . . . . . . . . . c19501_2mdq 1 . 8 . 1508 . 1 1 4 SER CA C -5.853 3.252 1.164 . . . 1.0 . . . . . . . . . . . . A . 4 SER CA . . . . . . . . . c19501_2mdq 1 . 8 . 1509 . 1 1 4 SER CB C -6.724 4.384 0.646 . . . 1.0 . . . . . . . . . . . . A . 4 SER CB . . . . . . . . . c19501_2mdq 1 . 8 . 1510 . 1 1 4 SER H H -4.263 4.075 -0.011 . . . 1.0 . . . . . . . . . . . . A . 4 SER H . . . . . . . . . c19501_2mdq 1 . 8 . 1511 . 1 1 4 SER HA H -5.872 3.258 2.244 . . . 1.0 . . . . . . . . . . . . A . 4 SER HA . . . . . . . . . c19501_2mdq 1 . 8 . 1512 . 1 1 4 SER HB2 H -6.677 4.405 -0.433 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB2 . . . . . . . . . c19501_2mdq 1 . 8 . 1513 . 1 1 4 SER HB3 H -7.745 4.242 0.964 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB3 . . . . . . . . . c19501_2mdq 1 . 8 . 1514 . 1 1 4 SER HG H -5.969 5.425 2.066 . . . 1.0 . . . . . . . . . . . . A . 4 SER HG . . . . . . . . . c19501_2mdq 1 . 8 . 1515 . 1 1 4 SER N N -4.481 3.489 0.744 . . . 1.0 . . . . . . . . . . . . A . 4 SER N . . . . . . . . . c19501_2mdq 1 . 8 . 1516 . 1 1 4 SER O O -7.498 1.492 0.895 . . . 1.0 . . . . . . . . . . . . A . 4 SER O . . . . . . . . . c19501_2mdq 1 . 8 . 1517 . 1 1 4 SER OG O -6.242 5.625 1.159 . . . 1.0 . . . . . . . . . . . . A . 4 SER OG . . . . . . . . . c19501_2mdq 1 . 8 . 1518 . 1 1 5 HIS C C -4.759 -1.162 0.194 . . . 1.0 . . . . . . . . . . . . A . 5 HIS C . . . . . . . . . c19501_2mdq 1 . 8 . 1519 . 1 1 5 HIS CA C -5.719 -0.187 -0.465 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CA . . . . . . . . . c19501_2mdq 1 . 8 . 1520 . 1 1 5 HIS CB C -5.477 -0.216 -1.978 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CB . . . . . . . . . c19501_2mdq 1 . 8 . 1521 . 1 1 5 HIS CD2 C -6.710 1.820 -3.026 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CD2 . . . . . . . . . c19501_2mdq 1 . 8 . 1522 . 1 1 5 HIS CE1 C -8.193 0.757 -4.202 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CE1 . . . . . . . . . c19501_2mdq 1 . 8 . 1523 . 1 1 5 HIS CG C -6.506 0.496 -2.816 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CG . . . . . . . . . c19501_2mdq 1 . 8 . 1524 . 1 1 5 HIS H H -4.547 1.483 -0.049 . . . 1.0 . . . . . . . . . . . . A . 5 HIS H . . . . . . . . . c19501_2mdq 1 . 8 . 1525 . 1 1 5 HIS HA H -6.742 -0.461 -0.260 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HA . . . . . . . . . c19501_2mdq 1 . 8 . 1526 . 1 1 5 HIS HB2 H -4.530 0.295 -2.105 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB2 . . . . . . . . . c19501_2mdq 1 . 8 . 1527 . 1 1 5 HIS HB3 H -5.375 -1.238 -2.310 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB3 . . . . . . . . . c19501_2mdq 1 . 8 . 1528 . 1 1 5 HIS HD1 H -7.564 -1.132 -3.653 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD1 . . . . . . . . . c19501_2mdq 1 . 8 . 1529 . 1 1 5 HIS HD2 H -6.134 2.624 -2.591 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD2 . . . . . . . . . c19501_2mdq 1 . 8 . 1530 . 1 1 5 HIS HE1 H -9.012 0.521 -4.868 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HE1 . . . . . . . . . c19501_2mdq 1 . 8 . 1531 . 1 1 5 HIS N N -5.460 1.137 0.053 . . . 1.0 . . . . . . . . . . . . A . 5 HIS N . . . . . . . . . c19501_2mdq 1 . 8 . 1532 . 1 1 5 HIS ND1 N -7.454 -0.157 -3.571 . . . 1.0 . . . . . . . . . . . . A . 5 HIS ND1 . . . . . . . . . c19501_2mdq 1 . 8 . 1533 . 1 1 5 HIS NE2 N -7.785 1.986 -3.905 . . . 1.0 . . . . . . . . . . . . A . 5 HIS NE2 . . . . . . . . . c19501_2mdq 1 . 8 . 1534 . 1 1 5 HIS O O -3.649 -1.331 -0.286 . . . 1.0 . . . . . . . . . . . . A . 5 HIS O . . . . . . . . . c19501_2mdq 1 . 8 . 1535 . 1 1 6 PRO C C -3.494 -3.718 1.216 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . c19501_2mdq 1 . 8 . 1536 . 1 1 6 PRO CA C -4.277 -2.713 2.085 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . c19501_2mdq 1 . 8 . 1537 . 1 1 6 PRO CB C -5.257 -3.437 3.000 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . c19501_2mdq 1 . 8 . 1538 . 1 1 6 PRO CD C -6.499 -1.694 1.920 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . c19501_2mdq 1 . 8 . 1539 . 1 1 6 PRO CG C -6.358 -2.456 3.210 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . c19501_2mdq 1 . 8 . 1540 . 1 1 6 PRO HA H -3.574 -2.149 2.681 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . c19501_2mdq 1 . 8 . 1541 . 1 1 6 PRO HB2 H -5.606 -4.333 2.511 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB2 . . . . . . . . . c19501_2mdq 1 . 8 . 1542 . 1 1 6 PRO HB3 H -4.773 -3.691 3.931 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . c19501_2mdq 1 . 8 . 1543 . 1 1 6 PRO HD2 H -7.249 -2.150 1.291 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD2 . . . . . . . . . c19501_2mdq 1 . 8 . 1544 . 1 1 6 PRO HD3 H -6.748 -0.662 2.116 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . c19501_2mdq 1 . 8 . 1545 . 1 1 6 PRO HG2 H -7.277 -2.975 3.441 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG2 . . . . . . . . . c19501_2mdq 1 . 8 . 1546 . 1 1 6 PRO HG3 H -6.099 -1.780 4.011 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . c19501_2mdq 1 . 8 . 1547 . 1 1 6 PRO N N -5.155 -1.801 1.307 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . c19501_2mdq 1 . 8 . 1548 . 1 1 6 PRO O O -2.283 -3.885 1.385 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . c19501_2mdq 1 . 8 . 1549 . 1 1 7 ALA C C -2.496 -4.696 -1.561 . . . 1.0 . . . . . . . . . . . . A . 7 ALA C . . . . . . . . . c19501_2mdq 1 . 8 . 1550 . 1 1 7 ALA CA C -3.566 -5.301 -0.645 . . . 1.0 . . . . . . . . . . . . A . 7 ALA CA . . . . . . . . . c19501_2mdq 1 . 8 . 1551 . 1 1 7 ALA CB C -4.631 -6.002 -1.470 . . . 1.0 . . . . . . . . . . . . A . 7 ALA CB . . . . . . . . . c19501_2mdq 1 . 8 . 1552 . 1 1 7 ALA H H -5.113 -4.060 0.111 . . . 1.0 . . . . . . . . . . . . A . 7 ALA H . . . . . . . . . c19501_2mdq 1 . 8 . 1553 . 1 1 7 ALA HA H -3.092 -6.040 -0.016 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HA . . . . . . . . . c19501_2mdq 1 . 8 . 1554 . 1 1 7 ALA HB1 H -5.113 -5.287 -2.119 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB1 . . . . . . . . . c19501_2mdq 1 . 8 . 1555 . 1 1 7 ALA HB2 H -5.366 -6.446 -0.815 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB2 . . . . . . . . . c19501_2mdq 1 . 8 . 1556 . 1 1 7 ALA HB3 H -4.171 -6.775 -2.068 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB3 . . . . . . . . . c19501_2mdq 1 . 8 . 1557 . 1 1 7 ALA N N -4.171 -4.304 0.236 . . . 1.0 . . . . . . . . . . . . A . 7 ALA N . . . . . . . . . c19501_2mdq 1 . 8 . 1558 . 1 1 7 ALA O O -1.595 -5.389 -2.000 . . . 1.0 . . . . . . . . . . . . A . 7 ALA O . . . . . . . . . c19501_2mdq 1 . 8 . 1559 . 1 1 8 CYS C C -0.552 -2.084 -1.837 . . . 1.0 . . . . . . . . . . . . A . 8 CYS C . . . . . . . . . c19501_2mdq 1 . 8 . 1560 . 1 1 8 CYS CA C -1.613 -2.753 -2.696 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CA . . . . . . . . . c19501_2mdq 1 . 8 . 1561 . 1 1 8 CYS CB C -2.316 -1.676 -3.531 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CB . . . . . . . . . c19501_2mdq 1 . 8 . 1562 . 1 1 8 CYS H H -3.314 -2.885 -1.431 . . . 1.0 . . . . . . . . . . . . A . 8 CYS H . . . . . . . . . c19501_2mdq 1 . 8 . 1563 . 1 1 8 CYS HA H -1.164 -3.482 -3.354 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HA . . . . . . . . . c19501_2mdq 1 . 8 . 1564 . 1 1 8 CYS HB2 H -3.245 -2.057 -3.924 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB2 . . . . . . . . . c19501_2mdq 1 . 8 . 1565 . 1 1 8 CYS HB3 H -2.528 -0.862 -2.848 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB3 . . . . . . . . . c19501_2mdq 1 . 8 . 1566 . 1 1 8 CYS N N -2.586 -3.411 -1.826 . . . 1.0 . . . . . . . . . . . . A . 8 CYS N . . . . . . . . . c19501_2mdq 1 . 8 . 1567 . 1 1 8 CYS O O 0.566 -1.835 -2.264 . . . 1.0 . . . . . . . . . . . . A . 8 CYS O . . . . . . . . . c19501_2mdq 1 . 8 . 1568 . 1 1 8 CYS SG S -1.317 -1.001 -4.917 . . . 1.0 . . . . . . . . . . . . A . 8 CYS SG . . . . . . . . . c19501_2mdq 1 . 8 . 1569 . 1 1 9 ASN C C 1.001 -2.076 0.845 . . . 1.0 . . . . . . . . . . . . A . 9 ASN C . . . . . . . . . c19501_2mdq 1 . 8 . 1570 . 1 1 9 ASN CA C -0.058 -1.146 0.336 . . . 1.0 . . . . . . . . . . . . A . 9 ASN CA . . . . . . . . . c19501_2mdq 1 . 8 . 1571 . 1 1 9 ASN CB C -0.918 -0.697 1.491 . . . 1.0 . . . . . . . . . . . . A . 9 ASN CB . . . . . . . . . c19501_2mdq 1 . 8 . 1572 . 1 1 9 ASN CG C -0.272 0.307 2.425 . . . 1.0 . . . . . . . . . . . . A . 9 ASN CG . . . . . . . . . c19501_2mdq 1 . 8 . 1573 . 1 1 9 ASN H H -1.795 -2.140 -0.316 . . . 1.0 . . . . . . . . . . . . A . 9 ASN H . . . . . . . . . c19501_2mdq 1 . 8 . 1574 . 1 1 9 ASN HA H 0.380 -0.283 -0.131 . . . 1.0 . . . . . . . . . . . . A . 9 ASN HA . . . . . . . . . c19501_2mdq 1 . 8 . 1575 . 1 1 9 ASN HB2 H -1.847 -0.308 1.110 . . . 1.0 . . . . . . . . . . . . A . 9 ASN HB2 . . . . . . . . . c19501_2mdq 1 . 8 . 1576 . 1 1 9 ASN HB3 H -1.129 -1.593 2.048 . . . 1.0 . . . . . . . . . . . . A . 9 ASN HB3 . . . . . . . . . c19501_2mdq 1 . 8 . 1577 . 1 1 9 ASN HD21 H -2.043 1.037 2.772 . . . 1.0 . . . . . . . . . . . . A . 9 ASN HD21 . . . . . . . . . c19501_2mdq 1 . 8 . 1578 . 1 1 9 ASN HD22 H -0.751 1.794 3.636 . . . 1.0 . . . . . . . . . . . . A . 9 ASN HD22 . . . . . . . . . c19501_2mdq 1 . 8 . 1579 . 1 1 9 ASN N N -0.905 -1.848 -0.607 . . . 1.0 . . . . . . . . . . . . A . 9 ASN N . . . . . . . . . c19501_2mdq 1 . 8 . 1580 . 1 1 9 ASN ND2 N -1.091 1.131 2.998 . . . 1.0 . . . . . . . . . . . . A . 9 ASN ND2 . . . . . . . . . c19501_2mdq 1 . 8 . 1581 . 1 1 9 ASN O O 2.169 -1.705 1.002 . . . 1.0 . . . . . . . . . . . . A . 9 ASN O . . . . . . . . . c19501_2mdq 1 . 8 . 1582 . 1 1 9 ASN OD1 O 0.939 0.346 2.619 . . . 1.0 . . . . . . . . . . . . A . 9 ASN OD1 . . . . . . . . . c19501_2mdq 1 . 8 . 1583 . 1 1 10 VAL C C 2.653 -4.631 0.684 . . . 1.0 . . . . . . . . . . . . A . 10 VAL C . . . . . . . . . c19501_2mdq 1 . 8 . 1584 . 1 1 10 VAL CA C 1.437 -4.344 1.601 . . . 1.0 . . . . . . . . . . . . A . 10 VAL CA . . . . . . . . . c19501_2mdq 1 . 8 . 1585 . 1 1 10 VAL CB C 0.625 -5.648 1.898 . . . 1.0 . . . . . . . . . . . . A . 10 VAL CB . . . . . . . . . c19501_2mdq 1 . 8 . 1586 . 1 1 10 VAL CG1 C 0.100 -6.305 0.633 . . . 1.0 . . . . . . . . . . . . A . 10 VAL CG1 . . . . . . . . . c19501_2mdq 1 . 8 . 1587 . 1 1 10 VAL CG2 C 1.423 -6.633 2.732 . . . 1.0 . . . . . . . . . . . . A . 10 VAL CG2 . . . . . . . . . c19501_2mdq 1 . 8 . 1588 . 1 1 10 VAL H H -0.364 -3.480 0.893 . . . 1.0 . . . . . . . . . . . . A . 10 VAL H . . . . . . . . . c19501_2mdq 1 . 8 . 1589 . 1 1 10 VAL HA H 1.828 -3.973 2.537 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HA . . . . . . . . . c19501_2mdq 1 . 8 . 1590 . 1 1 10 VAL HB H -0.241 -5.351 2.472 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HB . . . . . . . . . c19501_2mdq 1 . 8 . 1591 . 1 1 10 VAL HG11 H -0.453 -7.195 0.890 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG11 . . . . . . . . . c19501_2mdq 1 . 8 . 1592 . 1 1 10 VAL HG12 H 0.933 -6.569 -0.001 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG12 . . . . . . . . . c19501_2mdq 1 . 8 . 1593 . 1 1 10 VAL HG13 H -0.545 -5.615 0.110 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG13 . . . . . . . . . c19501_2mdq 1 . 8 . 1594 . 1 1 10 VAL HG21 H 2.319 -6.909 2.196 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG21 . . . . . . . . . c19501_2mdq 1 . 8 . 1595 . 1 1 10 VAL HG22 H 0.825 -7.514 2.907 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG22 . . . . . . . . . c19501_2mdq 1 . 8 . 1596 . 1 1 10 VAL HG23 H 1.689 -6.183 3.676 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG23 . . . . . . . . . c19501_2mdq 1 . 8 . 1597 . 1 1 10 VAL N N 0.585 -3.297 1.070 . . . 1.0 . . . . . . . . . . . . A . 10 VAL N . . . . . . . . . c19501_2mdq 1 . 8 . 1598 . 1 1 10 VAL O O 3.690 -5.123 1.151 . . . 1.0 . . . . . . . . . . . . A . 10 VAL O . . . . . . . . . c19501_2mdq 1 . 8 . 1599 . 1 1 11 ASP C C 4.346 -3.245 -1.931 . . . 1.0 . . . . . . . . . . . . A . 11 ASP C . . . . . . . . . c19501_2mdq 1 . 8 . 1600 . 1 1 11 ASP CA C 3.683 -4.530 -1.484 . . . 1.0 . . . . . . . . . . . . A . 11 ASP CA . . . . . . . . . c19501_2mdq 1 . 8 . 1601 . 1 1 11 ASP CB C 3.363 -5.450 -2.674 . . . 1.0 . . . . . . . . . . . . A . 11 ASP CB . . . . . . . . . c19501_2mdq 1 . 8 . 1602 . 1 1 11 ASP CG C 2.465 -4.860 -3.746 . . . 1.0 . . . . . . . . . . . . A . 11 ASP CG . . . . . . . . . c19501_2mdq 1 . 8 . 1603 . 1 1 11 ASP H H 1.723 -3.912 -0.950 . . . 1.0 . . . . . . . . . . . . A . 11 ASP H . . . . . . . . . c19501_2mdq 1 . 8 . 1604 . 1 1 11 ASP HA H 4.412 -5.022 -0.861 . . . 1.0 . . . . . . . . . . . . A . 11 ASP HA . . . . . . . . . c19501_2mdq 1 . 8 . 1605 . 1 1 11 ASP HB2 H 4.296 -5.718 -3.147 . . . 1.0 . . . . . . . . . . . . A . 11 ASP HB2 . . . . . . . . . c19501_2mdq 1 . 8 . 1606 . 1 1 11 ASP HB3 H 2.900 -6.348 -2.292 . . . 1.0 . . . . . . . . . . . . A . 11 ASP HB3 . . . . . . . . . c19501_2mdq 1 . 8 . 1607 . 1 1 11 ASP N N 2.553 -4.300 -0.600 . . . 1.0 . . . . . . . . . . . . A . 11 ASP N . . . . . . . . . c19501_2mdq 1 . 8 . 1608 . 1 1 11 ASP O O 5.307 -3.273 -2.707 . . . 1.0 . . . . . . . . . . . . A . 11 ASP O . . . . . . . . . c19501_2mdq 1 . 8 . 1609 . 1 1 11 ASP OD1 O 1.243 -4.824 -3.561 . . . 1.0 . . . . . . . . . . . . A . 11 ASP OD1 . . . . . . . . . c19501_2mdq 1 . 8 . 1610 . 1 1 11 ASP OD2 O 2.975 -4.502 -4.841 . . . 1.0 . . . . . . . . . . . . A . 11 ASP OD2 . . . . . . . . . c19501_2mdq 1 . 8 . 1611 . 1 1 12 HIS C C 5.003 -0.172 -0.462 . . . 1.0 . . . . . . . . . . . . A . 12 HIS C . . . . . . . . . c19501_2mdq 1 . 8 . 1612 . 1 1 12 HIS CA C 4.484 -0.867 -1.722 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CA . . . . . . . . . c19501_2mdq 1 . 8 . 1613 . 1 1 12 HIS CB C 3.544 0.055 -2.455 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CB . . . . . . . . . c19501_2mdq 1 . 8 . 1614 . 1 1 12 HIS CD2 C 2.225 -0.682 -4.534 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CD2 . . . . . . . . . c19501_2mdq 1 . 8 . 1615 . 1 1 12 HIS CE1 C 3.726 -0.370 -6.069 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CE1 . . . . . . . . . c19501_2mdq 1 . 8 . 1616 . 1 1 12 HIS CG C 3.328 -0.239 -3.906 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CG . . . . . . . . . c19501_2mdq 1 . 8 . 1617 . 1 1 12 HIS H H 3.099 -2.108 -0.842 . . . 1.0 . . . . . . . . . . . . A . 12 HIS H . . . . . . . . . c19501_2mdq 1 . 8 . 1618 . 1 1 12 HIS HA H 5.321 -1.069 -2.370 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HA . . . . . . . . . c19501_2mdq 1 . 8 . 1619 . 1 1 12 HIS HB2 H 2.593 -0.057 -1.962 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HB2 . . . . . . . . . c19501_2mdq 1 . 8 . 1620 . 1 1 12 HIS HB3 H 3.893 1.060 -2.315 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HB3 . . . . . . . . . c19501_2mdq 1 . 8 . 1621 . 1 1 12 HIS HD1 H 5.219 0.238 -4.799 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HD1 . . . . . . . . . c19501_2mdq 1 . 8 . 1622 . 1 1 12 HIS HD2 H 1.297 -0.945 -4.044 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HD2 . . . . . . . . . c19501_2mdq 1 . 8 . 1623 . 1 1 12 HIS HE1 H 4.237 -0.316 -7.020 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HE1 . . . . . . . . . c19501_2mdq 1 . 8 . 1624 . 1 1 12 HIS N N 3.879 -2.128 -1.433 . . . 1.0 . . . . . . . . . . . . A . 12 HIS N . . . . . . . . . c19501_2mdq 1 . 8 . 1625 . 1 1 12 HIS ND1 N 4.279 -0.052 -4.899 . . . 1.0 . . . . . . . . . . . . A . 12 HIS ND1 . . . . . . . . . c19501_2mdq 1 . 8 . 1626 . 1 1 12 HIS NE2 N 2.473 -0.762 -5.906 . . . 1.0 . . . . . . . . . . . . A . 12 HIS NE2 . . . . . . . . . c19501_2mdq 1 . 8 . 1627 . 1 1 12 HIS O O 4.370 0.771 0.049 . . . 1.0 . . . . . . . . . . . . A . 12 HIS O . . . . . . . . . c19501_2mdq 1 . 8 . 1628 . 1 1 13 PRO C C 7.370 1.370 0.933 . . . 1.0 . . . . . . . . . . . . A . 13 PRO C . . . . . . . . . c19501_2mdq 1 . 8 . 1629 . 1 1 13 PRO CA C 6.760 0.020 1.273 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CA . . . . . . . . . c19501_2mdq 1 . 8 . 1630 . 1 1 13 PRO CB C 7.845 -0.973 1.677 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CB . . . . . . . . . c19501_2mdq 1 . 8 . 1631 . 1 1 13 PRO CD C 7.024 -1.692 -0.451 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CD . . . . . . . . . c19501_2mdq 1 . 8 . 1632 . 1 1 13 PRO CG C 8.260 -1.613 0.398 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CG . . . . . . . . . c19501_2mdq 1 . 8 . 1633 . 1 1 13 PRO HA H 6.030 0.138 2.059 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HA . . . . . . . . . c19501_2mdq 1 . 8 . 1634 . 1 1 13 PRO HB2 H 8.659 -0.433 2.135 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HB2 . . . . . . . . . c19501_2mdq 1 . 8 . 1635 . 1 1 13 PRO HB3 H 7.447 -1.697 2.371 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HB3 . . . . . . . . . c19501_2mdq 1 . 8 . 1636 . 1 1 13 PRO HD2 H 7.271 -1.530 -1.490 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HD2 . . . . . . . . . c19501_2mdq 1 . 8 . 1637 . 1 1 13 PRO HD3 H 6.532 -2.644 -0.323 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HD3 . . . . . . . . . c19501_2mdq 1 . 8 . 1638 . 1 1 13 PRO HG2 H 9.005 -1.000 -0.088 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HG2 . . . . . . . . . c19501_2mdq 1 . 8 . 1639 . 1 1 13 PRO HG3 H 8.652 -2.601 0.585 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HG3 . . . . . . . . . c19501_2mdq 1 . 8 . 1640 . 1 1 13 PRO N N 6.175 -0.592 0.067 . . . 1.0 . . . . . . . . . . . . A . 13 PRO N . . . . . . . . . c19501_2mdq 1 . 8 . 1641 . 1 1 13 PRO O O 7.690 2.184 1.803 . . . 1.0 . . . . . . . . . . . . A . 13 PRO O . . . . . . . . . c19501_2mdq 1 . 8 . 1642 . 1 1 14 GLU C C 7.007 3.910 -0.764 . . . 1.0 . . . . . . . . . . . . A . 14 GLU C . . . . . . . . . c19501_2mdq 1 . 8 . 1643 . 1 1 14 GLU CA C 8.007 2.764 -0.936 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CA . . . . . . . . . c19501_2mdq 1 . 8 . 1644 . 1 1 14 GLU CB C 8.249 2.473 -2.412 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CB . . . . . . . . . c19501_2mdq 1 . 8 . 1645 . 1 1 14 GLU CD C 7.231 1.667 -4.580 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CD . . . . . . . . . c19501_2mdq 1 . 8 . 1646 . 1 1 14 GLU CG C 6.988 2.097 -3.174 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CG . . . . . . . . . c19501_2mdq 1 . 8 . 1647 . 1 1 14 GLU H H 7.229 0.860 -0.957 . . . 1.0 . . . . . . . . . . . . A . 14 GLU H . . . . . . . . . c19501_2mdq 1 . 8 . 1648 . 1 1 14 GLU HA H 8.952 3.014 -0.477 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HA . . . . . . . . . c19501_2mdq 1 . 8 . 1649 . 1 1 14 GLU HB2 H 8.657 3.363 -2.859 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HB2 . . . . . . . . . c19501_2mdq 1 . 8 . 1650 . 1 1 14 GLU HB3 H 8.960 1.666 -2.503 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HB3 . . . . . . . . . c19501_2mdq 1 . 8 . 1651 . 1 1 14 GLU HG2 H 6.481 1.297 -2.655 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HG2 . . . . . . . . . c19501_2mdq 1 . 8 . 1652 . 1 1 14 GLU HG3 H 6.355 2.971 -3.187 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HG3 . . . . . . . . . c19501_2mdq 1 . 8 . 1653 . 1 1 14 GLU N N 7.494 1.581 -0.353 . . . 1.0 . . . . . . . . . . . . A . 14 GLU N . . . . . . . . . c19501_2mdq 1 . 8 . 1654 . 1 1 14 GLU O O 7.388 5.062 -0.656 . . . 1.0 . . . . . . . . . . . . A . 14 GLU O . . . . . . . . . c19501_2mdq 1 . 8 . 1655 . 1 1 14 GLU OE1 O 7.655 2.489 -5.403 . . . 1.0 . . . . . . . . . . . . A . 14 GLU OE1 . . . . . . . . . c19501_2mdq 1 . 8 . 1656 . 1 1 14 GLU OE2 O 6.966 0.501 -4.895 . . . 1.0 . . . . . . . . . . . . A . 14 GLU OE2 . . . . . . . . . c19501_2mdq 1 . 8 . 1657 . 1 1 15 ILE C C 4.299 4.657 0.878 . . . 1.0 . . . . . . . . . . . . A . 15 ILE C . . . . . . . . . c19501_2mdq 1 . 8 . 1658 . 1 1 15 ILE CA C 4.703 4.590 -0.576 . . . 1.0 . . . . . . . . . . . . A . 15 ILE CA . . . . . . . . . c19501_2mdq 1 . 8 . 1659 . 1 1 15 ILE CB C 3.454 4.310 -1.473 . . . 1.0 . . . . . . . . . . . . A . 15 ILE CB . . . . . . . . . c19501_2mdq 1 . 8 . 1660 . 1 1 15 ILE CD1 C 4.666 5.090 -3.621 . . . 1.0 . . . . . . . . . . . . A . 15 ILE CD1 . . . . . . . . . c19501_2mdq 1 . 8 . 1661 . 1 1 15 ILE CG1 C 3.858 3.998 -2.929 . . . 1.0 . . . . . . . . . . . . A . 15 ILE CG1 . . . . . . . . . c19501_2mdq 1 . 8 . 1662 . 1 1 15 ILE CG2 C 2.515 5.508 -1.458 . . . 1.0 . . . . . . . . . . . . A . 15 ILE CG2 . . . . . . . . . c19501_2mdq 1 . 8 . 1663 . 1 1 15 ILE H H 5.473 2.632 -0.751 . . . 1.0 . . . . . . . . . . . . A . 15 ILE H . . . . . . . . . c19501_2mdq 1 . 8 . 1664 . 1 1 15 ILE HA H 5.137 5.538 -0.843 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HA . . . . . . . . . c19501_2mdq 1 . 8 . 1665 . 1 1 15 ILE HB H 2.927 3.461 -1.065 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HB . . . . . . . . . c19501_2mdq 1 . 8 . 1666 . 1 1 15 ILE HD11 H 4.092 6.005 -3.640 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HD11 . . . . . . . . . c19501_2mdq 1 . 8 . 1667 . 1 1 15 ILE HD12 H 4.892 4.784 -4.632 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HD12 . . . . . . . . . c19501_2mdq 1 . 8 . 1668 . 1 1 15 ILE HD13 H 5.587 5.253 -3.081 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HD13 . . . . . . . . . c19501_2mdq 1 . 8 . 1669 . 1 1 15 ILE HG12 H 4.431 3.084 -2.951 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HG12 . . . . . . . . . c19501_2mdq 1 . 8 . 1670 . 1 1 15 ILE HG13 H 2.956 3.844 -3.501 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HG13 . . . . . . . . . c19501_2mdq 1 . 8 . 1671 . 1 1 15 ILE HG21 H 2.182 5.695 -0.447 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HG21 . . . . . . . . . c19501_2mdq 1 . 8 . 1672 . 1 1 15 ILE HG22 H 1.664 5.302 -2.089 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HG22 . . . . . . . . . c19501_2mdq 1 . 8 . 1673 . 1 1 15 ILE HG23 H 3.037 6.376 -1.832 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HG23 . . . . . . . . . c19501_2mdq 1 . 8 . 1674 . 1 1 15 ILE N N 5.724 3.578 -0.713 . . . 1.0 . . . . . . . . . . . . A . 15 ILE N . . . . . . . . . c19501_2mdq 1 . 8 . 1675 . 1 1 15 ILE O O 4.374 5.705 1.509 . . . 1.0 . . . . . . . . . . . . A . 15 ILE O . . . . . . . . . c19501_2mdq 1 . 8 . 1676 . 1 1 16 CYS C C 4.253 2.143 3.364 . . . 1.0 . . . . . . . . . . . . A . 16 CYS C . . . . . . . . . c19501_2mdq 1 . 8 . 1677 . 1 1 16 CYS CA C 3.562 3.369 2.776 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CA . . . . . . . . . c19501_2mdq 1 . 8 . 1678 . 1 1 16 CYS CB C 2.063 3.299 2.945 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CB . . . . . . . . . c19501_2mdq 1 . 8 . 1679 . 1 1 16 CYS H H 3.861 2.733 0.825 . . . 1.0 . . . . . . . . . . . . A . 16 CYS H . . . . . . . . . c19501_2mdq 1 . 8 . 1680 . 1 1 16 CYS HA H 3.923 4.246 3.285 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HA . . . . . . . . . c19501_2mdq 1 . 8 . 1681 . 1 1 16 CYS HB2 H 1.742 2.607 2.188 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB2 . . . . . . . . . c19501_2mdq 1 . 8 . 1682 . 1 1 16 CYS HB3 H 1.836 2.907 3.921 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB3 . . . . . . . . . c19501_2mdq 1 . 8 . 1683 . 1 1 16 CYS N N 3.916 3.523 1.399 . . . 1.0 . . . . . . . . . . . . A . 16 CYS N . . . . . . . . . c19501_2mdq 1 . 8 . 1684 . 1 1 16 CYS O O 5.344 2.249 3.925 . . . 1.0 . . . . . . . . . . . . A . 16 CYS O . . . . . . . . . c19501_2mdq 1 . 8 . 1685 . 1 1 16 CYS SG S 1.169 4.874 2.673 . . . 1.0 . . . . . . . . . . . . A . 16 CYS SG . . . . . . . . . c19501_2mdq 1 . 8 . 1686 . 1 1 17 NH2 HN1 H 2.801 0.923 2.749 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 HN1 . . . . . . . . . c19501_2mdq 1 . 8 . 1687 . 1 1 17 NH2 HN2 H 4.148 0.191 3.537 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 HN2 . . . . . . . . . c19501_2mdq 1 . 8 . 1688 . 1 1 17 NH2 N N 3.673 0.979 3.199 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 N . . . . . . . . . c19501_2mdq 1 . 9 . 1689 . 1 1 1 GLY C C -4.184 4.148 -3.277 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c19501_2mdq 1 . 9 . 1690 . 1 1 1 GLY CA C -4.433 5.483 -3.929 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c19501_2mdq 1 . 9 . 1691 . 1 1 1 GLY H1 H -5.909 6.973 -3.883 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c19501_2mdq 1 . 9 . 1692 . 1 1 1 GLY H2 H -5.572 6.250 -2.399 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H2 . . . . . . . . . c19501_2mdq 1 . 9 . 1693 . 1 1 1 GLY H3 H -6.446 5.404 -3.557 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H3 . . . . . . . . . c19501_2mdq 1 . 9 . 1694 . 1 1 1 GLY HA2 H -4.521 5.339 -4.995 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c19501_2mdq 1 . 9 . 1695 . 1 1 1 GLY HA3 H -3.607 6.147 -3.726 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c19501_2mdq 1 . 9 . 1696 . 1 1 1 GLY N N -5.665 6.076 -3.420 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c19501_2mdq 1 . 9 . 1697 . 1 1 1 GLY O O -4.974 3.725 -2.429 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c19501_2mdq 1 . 9 . 1698 . 1 1 2 CYS C C -2.535 2.133 -1.615 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . c19501_2mdq 1 . 9 . 1699 . 1 1 2 CYS CA C -2.745 2.187 -3.105 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . c19501_2mdq 1 . 9 . 1700 . 1 1 2 CYS CB C -1.570 1.620 -3.814 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . c19501_2mdq 1 . 9 . 1701 . 1 1 2 CYS H H -2.435 3.904 -4.240 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . c19501_2mdq 1 . 9 . 1702 . 1 1 2 CYS HA H -3.587 1.570 -3.349 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . c19501_2mdq 1 . 9 . 1703 . 1 1 2 CYS HB2 H -1.017 2.500 -4.089 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . c19501_2mdq 1 . 9 . 1704 . 1 1 2 CYS HB3 H -0.990 1.017 -3.139 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . c19501_2mdq 1 . 9 . 1705 . 1 1 2 CYS N N -3.080 3.498 -3.621 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . c19501_2mdq 1 . 9 . 1706 . 1 1 2 CYS O O -2.609 1.082 -1.020 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . c19501_2mdq 1 . 9 . 1707 . 1 1 2 CYS SG S -1.975 0.691 -5.328 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . c19501_2mdq 1 . 9 . 1708 . 1 1 3 CYS C C -3.427 3.074 1.143 . . . 1.0 . . . . . . . . . . . . A . 3 CYS C . . . . . . . . . c19501_2mdq 1 . 9 . 1709 . 1 1 3 CYS CA C -2.129 3.300 0.395 . . . 1.0 . . . . . . . . . . . . A . 3 CYS CA . . . . . . . . . c19501_2mdq 1 . 9 . 1710 . 1 1 3 CYS CB C -1.451 4.564 0.808 . . . 1.0 . . . . . . . . . . . . A . 3 CYS CB . . . . . . . . . c19501_2mdq 1 . 9 . 1711 . 1 1 3 CYS H H -2.185 4.055 -1.560 . . . 1.0 . . . . . . . . . . . . A . 3 CYS H . . . . . . . . . c19501_2mdq 1 . 9 . 1712 . 1 1 3 CYS HA H -1.489 2.469 0.630 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HA . . . . . . . . . c19501_2mdq 1 . 9 . 1713 . 1 1 3 CYS HB2 H -1.889 5.371 0.237 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HB2 . . . . . . . . . c19501_2mdq 1 . 9 . 1714 . 1 1 3 CYS HB3 H -1.663 4.714 1.847 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HB3 . . . . . . . . . c19501_2mdq 1 . 9 . 1715 . 1 1 3 CYS N N -2.292 3.242 -1.022 . . . 1.0 . . . . . . . . . . . . A . 3 CYS N . . . . . . . . . c19501_2mdq 1 . 9 . 1716 . 1 1 3 CYS O O -3.443 2.485 2.220 . . . 1.0 . . . . . . . . . . . . A . 3 CYS O . . . . . . . . . c19501_2mdq 1 . 9 . 1717 . 1 1 3 CYS SG S 0.337 4.577 0.494 . . . 1.0 . . . . . . . . . . . . A . 3 CYS SG . . . . . . . . . c19501_2mdq 1 . 9 . 1718 . 1 1 4 SER C C -6.325 1.889 0.699 . . . 1.0 . . . . . . . . . . . . A . 4 SER C . . . . . . . . . c19501_2mdq 1 . 9 . 1719 . 1 1 4 SER CA C -5.827 3.298 1.081 . . . 1.0 . . . . . . . . . . . . A . 4 SER CA . . . . . . . . . c19501_2mdq 1 . 9 . 1720 . 1 1 4 SER CB C -6.759 4.361 0.513 . . . 1.0 . . . . . . . . . . . . A . 4 SER CB . . . . . . . . . c19501_2mdq 1 . 9 . 1721 . 1 1 4 SER H H -4.327 4.040 -0.252 . . . 1.0 . . . . . . . . . . . . A . 4 SER H . . . . . . . . . c19501_2mdq 1 . 9 . 1722 . 1 1 4 SER HA H -5.789 3.391 2.156 . . . 1.0 . . . . . . . . . . . . A . 4 SER HA . . . . . . . . . c19501_2mdq 1 . 9 . 1723 . 1 1 4 SER HB2 H -6.857 4.212 -0.551 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB2 . . . . . . . . . c19501_2mdq 1 . 9 . 1724 . 1 1 4 SER HB3 H -7.729 4.282 0.983 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB3 . . . . . . . . . c19501_2mdq 1 . 9 . 1725 . 1 1 4 SER HG H -6.672 5.996 1.546 . . . 1.0 . . . . . . . . . . . . A . 4 SER HG . . . . . . . . . c19501_2mdq 1 . 9 . 1726 . 1 1 4 SER N N -4.483 3.511 0.558 . . . 1.0 . . . . . . . . . . . . A . 4 SER N . . . . . . . . . c19501_2mdq 1 . 9 . 1727 . 1 1 4 SER O O -7.417 1.470 1.065 . . . 1.0 . . . . . . . . . . . . A . 4 SER O . . . . . . . . . c19501_2mdq 1 . 9 . 1728 . 1 1 4 SER OG O -6.235 5.665 0.751 . . . 1.0 . . . . . . . . . . . . A . 4 SER OG . . . . . . . . . c19501_2mdq 1 . 9 . 1729 . 1 1 5 HIS C C -4.913 -1.123 0.285 . . . 1.0 . . . . . . . . . . . . A . 5 HIS C . . . . . . . . . c19501_2mdq 1 . 9 . 1730 . 1 1 5 HIS CA C -5.791 -0.160 -0.487 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CA . . . . . . . . . c19501_2mdq 1 . 9 . 1731 . 1 1 5 HIS CB C -5.521 -0.292 -1.990 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CB . . . . . . . . . c19501_2mdq 1 . 9 . 1732 . 1 1 5 HIS CD2 C -6.985 1.608 -2.991 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CD2 . . . . . . . . . c19501_2mdq 1 . 9 . 1733 . 1 1 5 HIS CE1 C -8.132 0.460 -4.422 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CE1 . . . . . . . . . c19501_2mdq 1 . 9 . 1734 . 1 1 5 HIS CG C -6.571 0.327 -2.878 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CG . . . . . . . . . c19501_2mdq 1 . 9 . 1735 . 1 1 5 HIS H H -4.641 1.569 -0.292 . . . 1.0 . . . . . . . . . . . . A . 5 HIS H . . . . . . . . . c19501_2mdq 1 . 9 . 1736 . 1 1 5 HIS HA H -6.832 -0.373 -0.291 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HA . . . . . . . . . c19501_2mdq 1 . 9 . 1737 . 1 1 5 HIS HB2 H -4.588 0.225 -2.163 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB2 . . . . . . . . . c19501_2mdq 1 . 9 . 1738 . 1 1 5 HIS HB3 H -5.399 -1.331 -2.253 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB3 . . . . . . . . . c19501_2mdq 1 . 9 . 1739 . 1 1 5 HIS HD1 H -7.244 -1.347 -3.974 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD1 . . . . . . . . . c19501_2mdq 1 . 9 . 1740 . 1 1 5 HIS HD2 H -6.601 2.447 -2.425 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD2 . . . . . . . . . c19501_2mdq 1 . 9 . 1741 . 1 1 5 HIS HE1 H -8.827 0.174 -5.198 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HE1 . . . . . . . . . c19501_2mdq 1 . 9 . 1742 . 1 1 5 HIS N N -5.507 1.182 -0.046 . . . 1.0 . . . . . . . . . . . . A . 5 HIS N . . . . . . . . . c19501_2mdq 1 . 9 . 1743 . 1 1 5 HIS ND1 N -7.312 -0.384 -3.794 . . . 1.0 . . . . . . . . . . . . A . 5 HIS ND1 . . . . . . . . . c19501_2mdq 1 . 9 . 1744 . 1 1 5 HIS NE2 N -7.976 1.690 -3.968 . . . 1.0 . . . . . . . . . . . . A . 5 HIS NE2 . . . . . . . . . c19501_2mdq 1 . 9 . 1745 . 1 1 5 HIS O O -3.738 -1.257 -0.025 . . . 1.0 . . . . . . . . . . . . A . 5 HIS O . . . . . . . . . c19501_2mdq 1 . 9 . 1746 . 1 1 6 PRO C C -3.763 -3.659 1.493 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . c19501_2mdq 1 . 9 . 1747 . 1 1 6 PRO CA C -4.718 -2.694 2.210 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . c19501_2mdq 1 . 9 . 1748 . 1 1 6 PRO CB C -5.824 -3.474 2.913 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . c19501_2mdq 1 . 9 . 1749 . 1 1 6 PRO CD C -6.900 -1.735 1.686 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . c19501_2mdq 1 . 9 . 1750 . 1 1 6 PRO CG C -6.963 -2.526 2.962 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . c19501_2mdq 1 . 9 . 1751 . 1 1 6 PRO HA H -4.161 -2.131 2.943 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . c19501_2mdq 1 . 9 . 1752 . 1 1 6 PRO HB2 H -6.063 -4.357 2.338 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB2 . . . . . . . . . c19501_2mdq 1 . 9 . 1753 . 1 1 6 PRO HB3 H -5.504 -3.755 3.904 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . c19501_2mdq 1 . 9 . 1754 . 1 1 6 PRO HD2 H -7.516 -2.192 0.925 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD2 . . . . . . . . . c19501_2mdq 1 . 9 . 1755 . 1 1 6 PRO HD3 H -7.206 -0.715 1.860 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . c19501_2mdq 1 . 9 . 1756 . 1 1 6 PRO HG2 H -7.894 -3.072 3.022 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG2 . . . . . . . . . c19501_2mdq 1 . 9 . 1757 . 1 1 6 PRO HG3 H -6.857 -1.871 3.813 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . c19501_2mdq 1 . 9 . 1758 . 1 1 6 PRO N N -5.469 -1.795 1.308 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . c19501_2mdq 1 . 9 . 1759 . 1 1 6 PRO O O -2.618 -3.831 1.909 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . c19501_2mdq 1 . 9 . 1760 . 1 1 7 ALA C C -2.300 -4.576 -1.097 . . . 1.0 . . . . . . . . . . . . A . 7 ALA C . . . . . . . . . c19501_2mdq 1 . 9 . 1761 . 1 1 7 ALA CA C -3.423 -5.239 -0.303 . . . 1.0 . . . . . . . . . . . . A . 7 ALA CA . . . . . . . . . c19501_2mdq 1 . 9 . 1762 . 1 1 7 ALA CB C -4.289 -6.098 -1.206 . . . 1.0 . . . . . . . . . . . . A . 7 ALA CB . . . . . . . . . c19501_2mdq 1 . 9 . 1763 . 1 1 7 ALA H H -5.130 -4.046 0.113 . . . 1.0 . . . . . . . . . . . . A . 7 ALA H . . . . . . . . . c19501_2mdq 1 . 9 . 1764 . 1 1 7 ALA HA H -2.969 -5.884 0.434 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HA . . . . . . . . . c19501_2mdq 1 . 9 . 1765 . 1 1 7 ALA HB1 H -3.684 -6.873 -1.653 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB1 . . . . . . . . . c19501_2mdq 1 . 9 . 1766 . 1 1 7 ALA HB2 H -4.719 -5.486 -1.984 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB2 . . . . . . . . . c19501_2mdq 1 . 9 . 1767 . 1 1 7 ALA HB3 H -5.079 -6.550 -0.624 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB3 . . . . . . . . . c19501_2mdq 1 . 9 . 1768 . 1 1 7 ALA N N -4.227 -4.272 0.426 . . . 1.0 . . . . . . . . . . . . A . 7 ALA N . . . . . . . . . c19501_2mdq 1 . 9 . 1769 . 1 1 7 ALA O O -1.185 -5.071 -1.126 . . . 1.0 . . . . . . . . . . . . A . 7 ALA O . . . . . . . . . c19501_2mdq 1 . 9 . 1770 . 1 1 8 CYS C C -0.605 -1.968 -1.700 . . . 1.0 . . . . . . . . . . . . A . 8 CYS C . . . . . . . . . c19501_2mdq 1 . 9 . 1771 . 1 1 8 CYS CA C -1.601 -2.751 -2.544 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CA . . . . . . . . . c19501_2mdq 1 . 9 . 1772 . 1 1 8 CYS CB C -2.325 -1.793 -3.515 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CB . . . . . . . . . c19501_2mdq 1 . 9 . 1773 . 1 1 8 CYS H H -3.440 -2.994 -1.476 . . . 1.0 . . . . . . . . . . . . A . 8 CYS H . . . . . . . . . c19501_2mdq 1 . 9 . 1774 . 1 1 8 CYS HA H -1.073 -3.504 -3.109 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HA . . . . . . . . . c19501_2mdq 1 . 9 . 1775 . 1 1 8 CYS HB2 H -3.198 -2.281 -3.920 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB2 . . . . . . . . . c19501_2mdq 1 . 9 . 1776 . 1 1 8 CYS HB3 H -2.632 -0.931 -2.938 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB3 . . . . . . . . . c19501_2mdq 1 . 9 . 1777 . 1 1 8 CYS N N -2.576 -3.417 -1.665 . . . 1.0 . . . . . . . . . . . . A . 8 CYS N . . . . . . . . . c19501_2mdq 1 . 9 . 1778 . 1 1 8 CYS O O 0.497 -1.651 -2.132 . . . 1.0 . . . . . . . . . . . . A . 8 CYS O . . . . . . . . . c19501_2mdq 1 . 9 . 1779 . 1 1 8 CYS SG S -1.300 -1.191 -4.922 . . . 1.0 . . . . . . . . . . . . A . 8 CYS SG . . . . . . . . . c19501_2mdq 1 . 9 . 1780 . 1 1 9 ASN C C 1.055 -1.716 0.801 . . . 1.0 . . . . . . . . . . . . A . 9 ASN C . . . . . . . . . c19501_2mdq 1 . 9 . 1781 . 1 1 9 ASN CA C -0.199 -0.940 0.464 . . . 1.0 . . . . . . . . . . . . A . 9 ASN CA . . . . . . . . . c19501_2mdq 1 . 9 . 1782 . 1 1 9 ASN CB C -0.991 -0.764 1.744 . . . 1.0 . . . . . . . . . . . . A . 9 ASN CB . . . . . . . . . c19501_2mdq 1 . 9 . 1783 . 1 1 9 ASN CG C -0.362 0.190 2.737 . . . 1.0 . . . . . . . . . . . . A . 9 ASN CG . . . . . . . . . c19501_2mdq 1 . 9 . 1784 . 1 1 9 ASN H H -1.905 -1.970 -0.215 . . . 1.0 . . . . . . . . . . . . A . 9 ASN H . . . . . . . . . c19501_2mdq 1 . 9 . 1785 . 1 1 9 ASN HA H 0.041 0.025 0.056 . . . 1.0 . . . . . . . . . . . . A . 9 ASN HA . . . . . . . . . c19501_2mdq 1 . 9 . 1786 . 1 1 9 ASN HB2 H -1.998 -0.453 1.514 . . . 1.0 . . . . . . . . . . . . A . 9 ASN HB2 . . . . . . . . . c19501_2mdq 1 . 9 . 1787 . 1 1 9 ASN HB3 H -1.024 -1.744 2.187 . . . 1.0 . . . . . . . . . . . . A . 9 ASN HB3 . . . . . . . . . c19501_2mdq 1 . 9 . 1788 . 1 1 9 ASN HD21 H -1.672 1.559 2.249 . . . 1.0 . . . . . . . . . . . . A . 9 ASN HD21 . . . . . . . . . c19501_2mdq 1 . 9 . 1789 . 1 1 9 ASN HD22 H -0.522 2.011 3.462 . . . 1.0 . . . . . . . . . . . . A . 9 ASN HD22 . . . . . . . . . c19501_2mdq 1 . 9 . 1790 . 1 1 9 ASN N N -1.004 -1.687 -0.485 . . . 1.0 . . . . . . . . . . . . A . 9 ASN N . . . . . . . . . c19501_2mdq 1 . 9 . 1791 . 1 1 9 ASN ND2 N -0.897 1.369 2.822 . . . 1.0 . . . . . . . . . . . . A . 9 ASN ND2 . . . . . . . . . c19501_2mdq 1 . 9 . 1792 . 1 1 9 ASN O O 2.161 -1.174 0.813 . . . 1.0 . . . . . . . . . . . . A . 9 ASN O . . . . . . . . . c19501_2mdq 1 . 9 . 1793 . 1 1 9 ASN OD1 O 0.534 -0.172 3.489 . . . 1.0 . . . . . . . . . . . . A . 9 ASN OD1 . . . . . . . . . c19501_2mdq 1 . 9 . 1794 . 1 1 10 VAL C C 3.008 -4.057 0.430 . . . 1.0 . . . . . . . . . . . . A . 10 VAL C . . . . . . . . . c19501_2mdq 1 . 9 . 1795 . 1 1 10 VAL CA C 1.893 -3.911 1.469 . . . 1.0 . . . . . . . . . . . . A . 10 VAL CA . . . . . . . . . c19501_2mdq 1 . 9 . 1796 . 1 1 10 VAL CB C 1.300 -5.304 1.809 . . . 1.0 . . . . . . . . . . . . A . 10 VAL CB . . . . . . . . . c19501_2mdq 1 . 9 . 1797 . 1 1 10 VAL CG1 C 2.377 -6.276 2.271 . . . 1.0 . . . . . . . . . . . . A . 10 VAL CG1 . . . . . . . . . c19501_2mdq 1 . 9 . 1798 . 1 1 10 VAL CG2 C 0.213 -5.186 2.863 . . . 1.0 . . . . . . . . . . . . A . 10 VAL CG2 . . . . . . . . . c19501_2mdq 1 . 9 . 1799 . 1 1 10 VAL H H -0.069 -3.306 0.930 . . . 1.0 . . . . . . . . . . . . A . 10 VAL H . . . . . . . . . c19501_2mdq 1 . 9 . 1800 . 1 1 10 VAL HA H 2.323 -3.513 2.373 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HA . . . . . . . . . c19501_2mdq 1 . 9 . 1801 . 1 1 10 VAL HB H 0.854 -5.679 0.902 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HB . . . . . . . . . c19501_2mdq 1 . 9 . 1802 . 1 1 10 VAL HG11 H 3.114 -6.395 1.489 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG11 . . . . . . . . . c19501_2mdq 1 . 9 . 1803 . 1 1 10 VAL HG12 H 1.928 -7.233 2.490 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG12 . . . . . . . . . c19501_2mdq 1 . 9 . 1804 . 1 1 10 VAL HG13 H 2.854 -5.890 3.159 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG13 . . . . . . . . . c19501_2mdq 1 . 9 . 1805 . 1 1 10 VAL HG21 H -0.175 -6.167 3.095 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG21 . . . . . . . . . c19501_2mdq 1 . 9 . 1806 . 1 1 10 VAL HG22 H -0.587 -4.562 2.492 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG22 . . . . . . . . . c19501_2mdq 1 . 9 . 1807 . 1 1 10 VAL HG23 H 0.627 -4.744 3.757 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG23 . . . . . . . . . c19501_2mdq 1 . 9 . 1808 . 1 1 10 VAL N N 0.851 -2.990 1.043 . . . 1.0 . . . . . . . . . . . . A . 10 VAL N . . . . . . . . . c19501_2mdq 1 . 9 . 1809 . 1 1 10 VAL O O 4.194 -4.103 0.786 . . . 1.0 . . . . . . . . . . . . A . 10 VAL O . . . . . . . . . c19501_2mdq 1 . 9 . 1810 . 1 1 11 ASP C C 4.292 -2.992 -2.329 . . . 1.0 . . . . . . . . . . . . A . 11 ASP C . . . . . . . . . c19501_2mdq 1 . 9 . 1811 . 1 1 11 ASP CA C 3.654 -4.289 -1.886 . . . 1.0 . . . . . . . . . . . . A . 11 ASP CA . . . . . . . . . c19501_2mdq 1 . 9 . 1812 . 1 1 11 ASP CB C 3.162 -5.124 -3.082 . . . 1.0 . . . . . . . . . . . . A . 11 ASP CB . . . . . . . . . c19501_2mdq 1 . 9 . 1813 . 1 1 11 ASP CG C 2.054 -4.496 -3.889 . . . 1.0 . . . . . . . . . . . . A . 11 ASP CG . . . . . . . . . c19501_2mdq 1 . 9 . 1814 . 1 1 11 ASP H H 1.705 -3.985 -1.097 . . . 1.0 . . . . . . . . . . . . A . 11 ASP H . . . . . . . . . c19501_2mdq 1 . 9 . 1815 . 1 1 11 ASP HA H 4.442 -4.834 -1.392 . . . 1.0 . . . . . . . . . . . . A . 11 ASP HA . . . . . . . . . c19501_2mdq 1 . 9 . 1816 . 1 1 11 ASP HB2 H 3.992 -5.293 -3.751 . . . 1.0 . . . . . . . . . . . . A . 11 ASP HB2 . . . . . . . . . c19501_2mdq 1 . 9 . 1817 . 1 1 11 ASP HB3 H 2.820 -6.081 -2.717 . . . 1.0 . . . . . . . . . . . . A . 11 ASP HB3 . . . . . . . . . c19501_2mdq 1 . 9 . 1818 . 1 1 11 ASP N N 2.647 -4.094 -0.845 . . . 1.0 . . . . . . . . . . . . A . 11 ASP N . . . . . . . . . c19501_2mdq 1 . 9 . 1819 . 1 1 11 ASP O O 5.169 -2.983 -3.199 . . . 1.0 . . . . . . . . . . . . A . 11 ASP O . . . . . . . . . c19501_2mdq 1 . 9 . 1820 . 1 1 11 ASP OD1 O 0.879 -4.656 -3.522 . . . 1.0 . . . . . . . . . . . . A . 11 ASP OD1 . . . . . . . . . c19501_2mdq 1 . 9 . 1821 . 1 1 11 ASP OD2 O 2.341 -3.912 -4.952 . . . 1.0 . . . . . . . . . . . . A . 11 ASP OD2 . . . . . . . . . c19501_2mdq 1 . 9 . 1822 . 1 1 12 HIS C C 5.077 -0.132 -0.592 . . . 1.0 . . . . . . . . . . . . A . 12 HIS C . . . . . . . . . c19501_2mdq 1 . 9 . 1823 . 1 1 12 HIS CA C 4.503 -0.637 -1.915 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CA . . . . . . . . . c19501_2mdq 1 . 9 . 1824 . 1 1 12 HIS CB C 3.508 0.382 -2.423 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CB . . . . . . . . . c19501_2mdq 1 . 9 . 1825 . 1 1 12 HIS CD2 C 1.982 -0.268 -4.387 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CD2 . . . . . . . . . c19501_2mdq 1 . 9 . 1826 . 1 1 12 HIS CE1 C 3.132 0.570 -6.032 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CE1 . . . . . . . . . c19501_2mdq 1 . 9 . 1827 . 1 1 12 HIS CG C 3.095 0.266 -3.852 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CG . . . . . . . . . c19501_2mdq 1 . 9 . 1828 . 1 1 12 HIS H H 3.137 -1.937 -1.088 . . . 1.0 . . . . . . . . . . . . A . 12 HIS H . . . . . . . . . c19501_2mdq 1 . 9 . 1829 . 1 1 12 HIS HA H 5.290 -0.748 -2.642 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HA . . . . . . . . . c19501_2mdq 1 . 9 . 1830 . 1 1 12 HIS HB2 H 2.625 0.234 -1.826 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HB2 . . . . . . . . . c19501_2mdq 1 . 9 . 1831 . 1 1 12 HIS HB3 H 3.906 1.358 -2.221 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HB3 . . . . . . . . . c19501_2mdq 1 . 9 . 1832 . 1 1 12 HIS HD1 H 4.695 1.229 -4.883 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HD1 . . . . . . . . . c19501_2mdq 1 . 9 . 1833 . 1 1 12 HIS HD2 H 1.201 -0.775 -3.835 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HD2 . . . . . . . . . c19501_2mdq 1 . 9 . 1834 . 1 1 12 HIS HE1 H 3.455 0.876 -7.018 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HE1 . . . . . . . . . c19501_2mdq 1 . 9 . 1835 . 1 1 12 HIS N N 3.887 -1.907 -1.717 . . . 1.0 . . . . . . . . . . . . A . 12 HIS N . . . . . . . . . c19501_2mdq 1 . 9 . 1836 . 1 1 12 HIS ND1 N 3.817 0.788 -4.916 . . . 1.0 . . . . . . . . . . . . A . 12 HIS ND1 . . . . . . . . . c19501_2mdq 1 . 9 . 1837 . 1 1 12 HIS NE2 N 2.005 -0.072 -5.775 . . . 1.0 . . . . . . . . . . . . A . 12 HIS NE2 . . . . . . . . . c19501_2mdq 1 . 9 . 1838 . 1 1 12 HIS O O 4.533 0.813 -0.001 . . . 1.0 . . . . . . . . . . . . A . 12 HIS O . . . . . . . . . c19501_2mdq 1 . 9 . 1839 . 1 1 13 PRO C C 7.392 1.021 1.175 . . . 1.0 . . . . . . . . . . . . A . 13 PRO C . . . . . . . . . c19501_2mdq 1 . 9 . 1840 . 1 1 13 PRO CA C 6.761 -0.353 1.206 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CA . . . . . . . . . c19501_2mdq 1 . 9 . 1841 . 1 1 13 PRO CB C 7.818 -1.442 1.466 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CB . . . . . . . . . c19501_2mdq 1 . 9 . 1842 . 1 1 13 PRO CD C 6.994 -1.769 -0.739 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CD . . . . . . . . . c19501_2mdq 1 . 9 . 1843 . 1 1 13 PRO CG C 7.566 -2.490 0.433 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CG . . . . . . . . . c19501_2mdq 1 . 9 . 1844 . 1 1 13 PRO HA H 6.008 -0.370 1.973 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HA . . . . . . . . . c19501_2mdq 1 . 9 . 1845 . 1 1 13 PRO HB2 H 8.806 -1.017 1.366 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HB2 . . . . . . . . . c19501_2mdq 1 . 9 . 1846 . 1 1 13 PRO HB3 H 7.693 -1.841 2.461 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HB3 . . . . . . . . . c19501_2mdq 1 . 9 . 1847 . 1 1 13 PRO HD2 H 7.788 -1.337 -1.328 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HD2 . . . . . . . . . c19501_2mdq 1 . 9 . 1848 . 1 1 13 PRO HD3 H 6.373 -2.421 -1.336 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HD3 . . . . . . . . . c19501_2mdq 1 . 9 . 1849 . 1 1 13 PRO HG2 H 8.491 -2.977 0.164 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HG2 . . . . . . . . . c19501_2mdq 1 . 9 . 1850 . 1 1 13 PRO HG3 H 6.857 -3.213 0.810 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HG3 . . . . . . . . . c19501_2mdq 1 . 9 . 1851 . 1 1 13 PRO N N 6.194 -0.716 -0.099 . . . 1.0 . . . . . . . . . . . . A . 13 PRO N . . . . . . . . . c19501_2mdq 1 . 9 . 1852 . 1 1 13 PRO O O 7.469 1.719 2.178 . . . 1.0 . . . . . . . . . . . . A . 13 PRO O . . . . . . . . . c19501_2mdq 1 . 9 . 1853 . 1 1 14 GLU C C 7.372 3.785 -0.220 . . . 1.0 . . . . . . . . . . . . A . 14 GLU C . . . . . . . . . c19501_2mdq 1 . 9 . 1854 . 1 1 14 GLU CA C 8.404 2.652 -0.261 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CA . . . . . . . . . c19501_2mdq 1 . 9 . 1855 . 1 1 14 GLU CB C 9.123 2.572 -1.605 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CB . . . . . . . . . c19501_2mdq 1 . 9 . 1856 . 1 1 14 GLU CD C 9.058 1.879 -4.025 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CD . . . . . . . . . c19501_2mdq 1 . 9 . 1857 . 1 1 14 GLU CG C 8.264 2.069 -2.761 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CG . . . . . . . . . c19501_2mdq 1 . 9 . 1858 . 1 1 14 GLU H H 7.670 0.774 -0.740 . . . 1.0 . . . . . . . . . . . . A . 14 GLU H . . . . . . . . . c19501_2mdq 1 . 9 . 1859 . 1 1 14 GLU HA H 9.141 2.827 0.507 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HA . . . . . . . . . c19501_2mdq 1 . 9 . 1860 . 1 1 14 GLU HB2 H 9.438 3.569 -1.850 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HB2 . . . . . . . . . c19501_2mdq 1 . 9 . 1861 . 1 1 14 GLU HB3 H 9.989 1.934 -1.513 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HB3 . . . . . . . . . c19501_2mdq 1 . 9 . 1862 . 1 1 14 GLU HG2 H 7.819 1.123 -2.494 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HG2 . . . . . . . . . c19501_2mdq 1 . 9 . 1863 . 1 1 14 GLU HG3 H 7.484 2.792 -2.950 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HG3 . . . . . . . . . c19501_2mdq 1 . 9 . 1864 . 1 1 14 GLU N N 7.793 1.398 -0.001 . . . 1.0 . . . . . . . . . . . . A . 14 GLU N . . . . . . . . . c19501_2mdq 1 . 9 . 1865 . 1 1 14 GLU O O 7.703 4.933 0.083 . . . 1.0 . . . . . . . . . . . . A . 14 GLU O . . . . . . . . . c19501_2mdq 1 . 9 . 1866 . 1 1 14 GLU OE1 O 9.703 0.820 -4.181 . . . 1.0 . . . . . . . . . . . . A . 14 GLU OE1 . . . . . . . . . c19501_2mdq 1 . 9 . 1867 . 1 1 14 GLU OE2 O 9.047 2.777 -4.899 . . . 1.0 . . . . . . . . . . . . A . 14 GLU OE2 . . . . . . . . . c19501_2mdq 1 . 9 . 1868 . 1 1 15 ILE C C 4.421 4.420 0.914 . . . 1.0 . . . . . . . . . . . . A . 15 ILE C . . . . . . . . . c19501_2mdq 1 . 9 . 1869 . 1 1 15 ILE CA C 5.071 4.453 -0.451 . . . 1.0 . . . . . . . . . . . . A . 15 ILE CA . . . . . . . . . c19501_2mdq 1 . 9 . 1870 . 1 1 15 ILE CB C 3.995 4.255 -1.562 . . . 1.0 . . . . . . . . . . . . A . 15 ILE CB . . . . . . . . . c19501_2mdq 1 . 9 . 1871 . 1 1 15 ILE CD1 C 3.665 4.089 -4.097 . . . 1.0 . . . . . . . . . . . . A . 15 ILE CD1 . . . . . . . . . c19501_2mdq 1 . 9 . 1872 . 1 1 15 ILE CG1 C 4.650 4.232 -2.947 . . . 1.0 . . . . . . . . . . . . A . 15 ILE CG1 . . . . . . . . . c19501_2mdq 1 . 9 . 1873 . 1 1 15 ILE CG2 C 2.964 5.379 -1.504 . . . 1.0 . . . . . . . . . . . . A . 15 ILE CG2 . . . . . . . . . c19501_2mdq 1 . 9 . 1874 . 1 1 15 ILE H H 5.905 2.526 -0.699 . . . 1.0 . . . . . . . . . . . . A . 15 ILE H . . . . . . . . . c19501_2mdq 1 . 9 . 1875 . 1 1 15 ILE HA H 5.534 5.417 -0.566 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HA . . . . . . . . . c19501_2mdq 1 . 9 . 1876 . 1 1 15 ILE HB H 3.490 3.316 -1.393 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HB . . . . . . . . . c19501_2mdq 1 . 9 . 1877 . 1 1 15 ILE HD11 H 2.962 4.909 -4.066 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HD11 . . . . . . . . . c19501_2mdq 1 . 9 . 1878 . 1 1 15 ILE HD12 H 3.130 3.156 -3.999 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HD12 . . . . . . . . . c19501_2mdq 1 . 9 . 1879 . 1 1 15 ILE HD13 H 4.193 4.107 -5.039 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HD13 . . . . . . . . . c19501_2mdq 1 . 9 . 1880 . 1 1 15 ILE HG12 H 5.193 5.154 -3.092 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HG12 . . . . . . . . . c19501_2mdq 1 . 9 . 1881 . 1 1 15 ILE HG13 H 5.342 3.403 -2.994 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HG13 . . . . . . . . . c19501_2mdq 1 . 9 . 1882 . 1 1 15 ILE HG21 H 3.456 6.325 -1.670 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HG21 . . . . . . . . . c19501_2mdq 1 . 9 . 1883 . 1 1 15 ILE HG22 H 2.490 5.384 -0.533 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HG22 . . . . . . . . . c19501_2mdq 1 . 9 . 1884 . 1 1 15 ILE HG23 H 2.217 5.223 -2.269 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HG23 . . . . . . . . . c19501_2mdq 1 . 9 . 1885 . 1 1 15 ILE N N 6.121 3.458 -0.494 . . . 1.0 . . . . . . . . . . . . A . 15 ILE N . . . . . . . . . c19501_2mdq 1 . 9 . 1886 . 1 1 15 ILE O O 4.253 5.443 1.562 . . . 1.0 . . . . . . . . . . . . A . 15 ILE O . . . . . . . . . c19501_2mdq 1 . 9 . 1887 . 1 1 16 CYS C C 4.061 1.805 3.305 . . . 1.0 . . . . . . . . . . . . A . 16 CYS C . . . . . . . . . c19501_2mdq 1 . 9 . 1888 . 1 1 16 CYS CA C 3.487 3.025 2.613 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CA . . . . . . . . . c19501_2mdq 1 . 9 . 1889 . 1 1 16 CYS CB C 1.991 2.953 2.497 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CB . . . . . . . . . c19501_2mdq 1 . 9 . 1890 . 1 1 16 CYS H H 4.254 2.458 0.780 . . . 1.0 . . . . . . . . . . . . A . 16 CYS H . . . . . . . . . c19501_2mdq 1 . 9 . 1891 . 1 1 16 CYS HA H 3.729 3.895 3.198 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HA . . . . . . . . . c19501_2mdq 1 . 9 . 1892 . 1 1 16 CYS HB2 H 1.808 2.404 1.590 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB2 . . . . . . . . . c19501_2mdq 1 . 9 . 1893 . 1 1 16 CYS HB3 H 1.595 2.414 3.341 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB3 . . . . . . . . . c19501_2mdq 1 . 9 . 1894 . 1 1 16 CYS N N 4.090 3.243 1.343 . . . 1.0 . . . . . . . . . . . . A . 16 CYS N . . . . . . . . . c19501_2mdq 1 . 9 . 1895 . 1 1 16 CYS O O 4.848 1.933 4.245 . . . 1.0 . . . . . . . . . . . . A . 16 CYS O . . . . . . . . . c19501_2mdq 1 . 9 . 1896 . 1 1 16 CYS SG S 1.161 4.574 2.342 . . . 1.0 . . . . . . . . . . . . A . 16 CYS SG . . . . . . . . . c19501_2mdq 1 . 9 . 1897 . 1 1 17 NH2 HN1 H 3.060 0.553 2.110 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 HN1 . . . . . . . . . c19501_2mdq 1 . 9 . 1898 . 1 1 17 NH2 HN2 H 4.068 -0.161 3.306 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 HN2 . . . . . . . . . c19501_2mdq 1 . 9 . 1899 . 1 1 17 NH2 N N 3.687 0.626 2.860 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 N . . . . . . . . . c19501_2mdq 1 . 10 . 1900 . 1 1 1 GLY C C -3.835 3.854 -3.565 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c19501_2mdq 1 . 10 . 1901 . 1 1 1 GLY CA C -3.930 5.226 -4.147 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c19501_2mdq 1 . 10 . 1902 . 1 1 1 GLY H1 H -5.806 5.625 -3.400 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c19501_2mdq 1 . 10 . 1903 . 1 1 1 GLY H2 H -4.862 7.025 -3.706 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H2 . . . . . . . . . c19501_2mdq 1 . 10 . 1904 . 1 1 1 GLY H3 H -4.541 6.051 -2.376 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H3 . . . . . . . . . c19501_2mdq 1 . 10 . 1905 . 1 1 1 GLY HA2 H -4.283 5.147 -5.164 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c19501_2mdq 1 . 10 . 1906 . 1 1 1 GLY HA3 H -2.953 5.686 -4.140 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c19501_2mdq 1 . 10 . 1907 . 1 1 1 GLY N N -4.856 6.043 -3.367 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c19501_2mdq 1 . 10 . 1908 . 1 1 1 GLY O O -4.712 3.453 -2.798 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c19501_2mdq 1 . 10 . 1909 . 1 1 2 CYS C C -2.490 1.689 -1.913 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . c19501_2mdq 1 . 10 . 1910 . 1 1 2 CYS CA C -2.557 1.813 -3.393 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . c19501_2mdq 1 . 10 . 1911 . 1 1 2 CYS CB C -1.373 1.190 -4.024 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . c19501_2mdq 1 . 10 . 1912 . 1 1 2 CYS H H -2.042 3.528 -4.418 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . c19501_2mdq 1 . 10 . 1913 . 1 1 2 CYS HA H -3.414 1.263 -3.723 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . c19501_2mdq 1 . 10 . 1914 . 1 1 2 CYS HB2 H -0.736 2.016 -4.285 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . c19501_2mdq 1 . 10 . 1915 . 1 1 2 CYS HB3 H -0.871 0.543 -3.325 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . c19501_2mdq 1 . 10 . 1916 . 1 1 2 CYS N N -2.761 3.154 -3.864 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . c19501_2mdq 1 . 10 . 1917 . 1 1 2 CYS O O -2.957 0.726 -1.358 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . c19501_2mdq 1 . 10 . 1918 . 1 1 2 CYS SG S -1.719 0.289 -5.548 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . c19501_2mdq 1 . 10 . 1919 . 1 1 3 CYS C C -3.194 2.834 0.839 . . . 1.0 . . . . . . . . . . . . A . 3 CYS C . . . . . . . . . c19501_2mdq 1 . 10 . 1920 . 1 1 3 CYS CA C -1.869 2.651 0.152 . . . 1.0 . . . . . . . . . . . . A . 3 CYS CA . . . . . . . . . c19501_2mdq 1 . 10 . 1921 . 1 1 3 CYS CB C -0.839 3.595 0.664 . . . 1.0 . . . . . . . . . . . . A . 3 CYS CB . . . . . . . . . c19501_2mdq 1 . 10 . 1922 . 1 1 3 CYS H H -1.598 3.409 -1.803 . . . 1.0 . . . . . . . . . . . . A . 3 CYS H . . . . . . . . . c19501_2mdq 1 . 10 . 1923 . 1 1 3 CYS HA H -1.554 1.648 0.395 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HA . . . . . . . . . c19501_2mdq 1 . 10 . 1924 . 1 1 3 CYS HB2 H -0.759 4.409 -0.044 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HB2 . . . . . . . . . c19501_2mdq 1 . 10 . 1925 . 1 1 3 CYS HB3 H -1.220 3.966 1.597 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HB3 . . . . . . . . . c19501_2mdq 1 . 10 . 1926 . 1 1 3 CYS N N -1.955 2.663 -1.278 . . . 1.0 . . . . . . . . . . . . A . 3 CYS N . . . . . . . . . c19501_2mdq 1 . 10 . 1927 . 1 1 3 CYS O O -3.368 2.436 1.986 . . . 1.0 . . . . . . . . . . . . A . 3 CYS O . . . . . . . . . c19501_2mdq 1 . 10 . 1928 . 1 1 3 CYS SG S 0.803 2.850 0.865 . . . 1.0 . . . . . . . . . . . . A . 3 CYS SG . . . . . . . . . c19501_2mdq 1 . 10 . 1929 . 1 1 4 SER C C -6.180 2.158 0.575 . . . 1.0 . . . . . . . . . . . . A . 4 SER C . . . . . . . . . c19501_2mdq 1 . 10 . 1930 . 1 1 4 SER CA C -5.475 3.535 0.627 . . . 1.0 . . . . . . . . . . . . A . 4 SER CA . . . . . . . . . c19501_2mdq 1 . 10 . 1931 . 1 1 4 SER CB C -6.219 4.562 -0.222 . . . 1.0 . . . . . . . . . . . . A . 4 SER CB . . . . . . . . . c19501_2mdq 1 . 10 . 1932 . 1 1 4 SER H H -3.823 3.805 -0.701 . . . 1.0 . . . . . . . . . . . . A . 4 SER H . . . . . . . . . c19501_2mdq 1 . 10 . 1933 . 1 1 4 SER HA H -5.440 3.871 1.651 . . . 1.0 . . . . . . . . . . . . A . 4 SER HA . . . . . . . . . c19501_2mdq 1 . 10 . 1934 . 1 1 4 SER HB2 H -6.339 4.177 -1.224 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB2 . . . . . . . . . c19501_2mdq 1 . 10 . 1935 . 1 1 4 SER HB3 H -7.187 4.759 0.212 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB3 . . . . . . . . . c19501_2mdq 1 . 10 . 1936 . 1 1 4 SER HG H -4.841 5.741 0.450 . . . 1.0 . . . . . . . . . . . . A . 4 SER HG . . . . . . . . . c19501_2mdq 1 . 10 . 1937 . 1 1 4 SER N N -4.112 3.413 0.148 . . . 1.0 . . . . . . . . . . . . A . 4 SER N . . . . . . . . . c19501_2mdq 1 . 10 . 1938 . 1 1 4 SER O O -7.245 1.964 1.156 . . . 1.0 . . . . . . . . . . . . A . 4 SER O . . . . . . . . . c19501_2mdq 1 . 10 . 1939 . 1 1 4 SER OG O -5.478 5.781 -0.277 . . . 1.0 . . . . . . . . . . . . A . 4 SER OG . . . . . . . . . c19501_2mdq 1 . 10 . 1940 . 1 1 5 HIS C C -5.175 -1.080 0.573 . . . 1.0 . . . . . . . . . . . . A . 5 HIS C . . . . . . . . . c19501_2mdq 1 . 10 . 1941 . 1 1 5 HIS CA C -6.052 -0.138 -0.242 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CA . . . . . . . . . c19501_2mdq 1 . 10 . 1942 . 1 1 5 HIS CB C -6.022 -0.563 -1.711 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CB . . . . . . . . . c19501_2mdq 1 . 10 . 1943 . 1 1 5 HIS CD2 C -7.070 1.403 -3.040 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CD2 . . . . . . . . . c19501_2mdq 1 . 10 . 1944 . 1 1 5 HIS CE1 C -8.778 0.379 -3.884 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CE1 . . . . . . . . . c19501_2mdq 1 . 10 . 1945 . 1 1 5 HIS CG C -7.025 0.125 -2.589 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CG . . . . . . . . . c19501_2mdq 1 . 10 . 1946 . 1 1 5 HIS H H -4.691 1.410 -0.527 . . . 1.0 . . . . . . . . . . . . A . 5 HIS H . . . . . . . . . c19501_2mdq 1 . 10 . 1947 . 1 1 5 HIS HA H -7.071 -0.162 0.116 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HA . . . . . . . . . c19501_2mdq 1 . 10 . 1948 . 1 1 5 HIS HB2 H -5.037 -0.321 -2.086 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB2 . . . . . . . . . c19501_2mdq 1 . 10 . 1949 . 1 1 5 HIS HB3 H -6.172 -1.630 -1.779 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB3 . . . . . . . . . c19501_2mdq 1 . 10 . 1950 . 1 1 5 HIS HD1 H -8.377 -1.444 -3.011 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD1 . . . . . . . . . c19501_2mdq 1 . 10 . 1951 . 1 1 5 HIS HD2 H -6.352 2.181 -2.816 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD2 . . . . . . . . . c19501_2mdq 1 . 10 . 1952 . 1 1 5 HIS HE1 H -9.679 0.160 -4.439 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HE1 . . . . . . . . . c19501_2mdq 1 . 10 . 1953 . 1 1 5 HIS N N -5.555 1.215 -0.104 . . . 1.0 . . . . . . . . . . . . A . 5 HIS N . . . . . . . . . c19501_2mdq 1 . 10 . 1954 . 1 1 5 HIS ND1 N -8.118 -0.504 -3.136 . . . 1.0 . . . . . . . . . . . . A . 5 HIS ND1 . . . . . . . . . c19501_2mdq 1 . 10 . 1955 . 1 1 5 HIS NE2 N -8.183 1.558 -3.859 . . . 1.0 . . . . . . . . . . . . A . 5 HIS NE2 . . . . . . . . . c19501_2mdq 1 . 10 . 1956 . 1 1 5 HIS O O -3.979 -1.154 0.338 . . . 1.0 . . . . . . . . . . . . A . 5 HIS O . . . . . . . . . c19501_2mdq 1 . 10 . 1957 . 1 1 6 PRO C C -4.125 -3.757 1.648 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . c19501_2mdq 1 . 10 . 1958 . 1 1 6 PRO CA C -4.987 -2.726 2.405 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . c19501_2mdq 1 . 10 . 1959 . 1 1 6 PRO CB C -6.065 -3.429 3.246 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . c19501_2mdq 1 . 10 . 1960 . 1 1 6 PRO CD C -7.190 -1.864 1.831 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . c19501_2mdq 1 . 10 . 1961 . 1 1 6 PRO CG C -7.353 -3.174 2.539 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . c19501_2mdq 1 . 10 . 1962 . 1 1 6 PRO HA H -4.341 -2.155 3.055 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . c19501_2mdq 1 . 10 . 1963 . 1 1 6 PRO HB2 H -5.845 -4.485 3.304 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB2 . . . . . . . . . c19501_2mdq 1 . 10 . 1964 . 1 1 6 PRO HB3 H -6.074 -3.006 4.239 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . c19501_2mdq 1 . 10 . 1965 . 1 1 6 PRO HD2 H -7.782 -1.860 0.928 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD2 . . . . . . . . . c19501_2mdq 1 . 10 . 1966 . 1 1 6 PRO HD3 H -7.470 -1.043 2.474 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . c19501_2mdq 1 . 10 . 1967 . 1 1 6 PRO HG2 H -7.541 -3.964 1.827 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG2 . . . . . . . . . c19501_2mdq 1 . 10 . 1968 . 1 1 6 PRO HG3 H -8.160 -3.117 3.254 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . c19501_2mdq 1 . 10 . 1969 . 1 1 6 PRO N N -5.751 -1.827 1.523 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . c19501_2mdq 1 . 10 . 1970 . 1 1 6 PRO O O -3.045 -4.129 2.113 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . c19501_2mdq 1 . 10 . 1971 . 1 1 7 ALA C C -2.621 -4.571 -0.970 . . . 1.0 . . . . . . . . . . . . A . 7 ALA C . . . . . . . . . c19501_2mdq 1 . 10 . 1972 . 1 1 7 ALA CA C -3.852 -5.182 -0.295 . . . 1.0 . . . . . . . . . . . . A . 7 ALA CA . . . . . . . . . c19501_2mdq 1 . 10 . 1973 . 1 1 7 ALA CB C -4.749 -5.851 -1.326 . . . 1.0 . . . . . . . . . . . . A . 7 ALA CB . . . . . . . . . c19501_2mdq 1 . 10 . 1974 . 1 1 7 ALA H H -5.461 -3.878 0.172 . . . 1.0 . . . . . . . . . . . . A . 7 ALA H . . . . . . . . . c19501_2mdq 1 . 10 . 1975 . 1 1 7 ALA HA H -3.510 -5.944 0.391 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HA . . . . . . . . . c19501_2mdq 1 . 10 . 1976 . 1 1 7 ALA HB1 H -5.616 -6.267 -0.833 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB1 . . . . . . . . . c19501_2mdq 1 . 10 . 1977 . 1 1 7 ALA HB2 H -4.201 -6.640 -1.819 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB2 . . . . . . . . . c19501_2mdq 1 . 10 . 1978 . 1 1 7 ALA HB3 H -5.064 -5.120 -2.057 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB3 . . . . . . . . . c19501_2mdq 1 . 10 . 1979 . 1 1 7 ALA N N -4.593 -4.208 0.495 . . . 1.0 . . . . . . . . . . . . A . 7 ALA N . . . . . . . . . c19501_2mdq 1 . 10 . 1980 . 1 1 7 ALA O O -1.519 -5.107 -0.856 . . . 1.0 . . . . . . . . . . . . A . 7 ALA O . . . . . . . . . c19501_2mdq 1 . 10 . 1981 . 1 1 8 CYS C C -0.775 -2.022 -1.526 . . . 1.0 . . . . . . . . . . . . A . 8 CYS C . . . . . . . . . c19501_2mdq 1 . 10 . 1982 . 1 1 8 CYS CA C -1.724 -2.808 -2.416 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CA . . . . . . . . . c19501_2mdq 1 . 10 . 1983 . 1 1 8 CYS CB C -2.333 -1.887 -3.478 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CB . . . . . . . . . c19501_2mdq 1 . 10 . 1984 . 1 1 8 CYS H H -3.664 -2.960 -1.543 . . . 1.0 . . . . . . . . . . . . A . 8 CYS H . . . . . . . . . c19501_2mdq 1 . 10 . 1985 . 1 1 8 CYS HA H -1.168 -3.594 -2.902 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HA . . . . . . . . . c19501_2mdq 1 . 10 . 1986 . 1 1 8 CYS HB2 H -3.288 -2.283 -3.784 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB2 . . . . . . . . . c19501_2mdq 1 . 10 . 1987 . 1 1 8 CYS HB3 H -2.487 -0.931 -2.995 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB3 . . . . . . . . . c19501_2mdq 1 . 10 . 1988 . 1 1 8 CYS N N -2.798 -3.416 -1.605 . . . 1.0 . . . . . . . . . . . . A . 8 CYS N . . . . . . . . . c19501_2mdq 1 . 10 . 1989 . 1 1 8 CYS O O 0.327 -1.664 -1.920 . . . 1.0 . . . . . . . . . . . . A . 8 CYS O . . . . . . . . . c19501_2mdq 1 . 10 . 1990 . 1 1 8 CYS SG S -1.303 -1.615 -4.983 . . . 1.0 . . . . . . . . . . . . A . 8 CYS SG . . . . . . . . . c19501_2mdq 1 . 10 . 1991 . 1 1 9 ASN C C 0.848 -1.805 0.970 . . . 1.0 . . . . . . . . . . . . A . 9 ASN C . . . . . . . . . c19501_2mdq 1 . 10 . 1992 . 1 1 9 ASN CA C -0.442 -1.060 0.689 . . . 1.0 . . . . . . . . . . . . A . 9 ASN CA . . . . . . . . . c19501_2mdq 1 . 10 . 1993 . 1 1 9 ASN CB C -1.254 -1.015 1.962 . . . 1.0 . . . . . . . . . . . . A . 9 ASN CB . . . . . . . . . c19501_2mdq 1 . 10 . 1994 . 1 1 9 ASN CG C -0.683 -0.112 3.022 . . . 1.0 . . . . . . . . . . . . A . 9 ASN CG . . . . . . . . . c19501_2mdq 1 . 10 . 1995 . 1 1 9 ASN H H -2.130 -2.055 -0.092 . . . 1.0 . . . . . . . . . . . . A . 9 ASN H . . . . . . . . . c19501_2mdq 1 . 10 . 1996 . 1 1 9 ASN HA H -0.239 -0.058 0.358 . . . 1.0 . . . . . . . . . . . . A . 9 ASN HA . . . . . . . . . c19501_2mdq 1 . 10 . 1997 . 1 1 9 ASN HB2 H -2.268 -0.735 1.732 . . . 1.0 . . . . . . . . . . . . A . 9 ASN HB2 . . . . . . . . . c19501_2mdq 1 . 10 . 1998 . 1 1 9 ASN HB3 H -1.253 -2.024 2.335 . . . 1.0 . . . . . . . . . . . . A . 9 ASN HB3 . . . . . . . . . c19501_2mdq 1 . 10 . 1999 . 1 1 9 ASN HD21 H -1.880 1.314 2.436 . . . 1.0 . . . . . . . . . . . . A . 9 ASN HD21 . . . . . . . . . c19501_2mdq 1 . 10 . 2000 . 1 1 9 ASN HD22 H -0.800 1.707 3.735 . . . 1.0 . . . . . . . . . . . . A . 9 ASN HD22 . . . . . . . . . c19501_2mdq 1 . 10 . 2001 . 1 1 9 ASN N N -1.216 -1.774 -0.317 . . . 1.0 . . . . . . . . . . . . A . 9 ASN N . . . . . . . . . c19501_2mdq 1 . 10 . 2002 . 1 1 9 ASN ND2 N -1.171 1.082 3.076 . . . 1.0 . . . . . . . . . . . . A . 9 ASN ND2 . . . . . . . . . c19501_2mdq 1 . 10 . 2003 . 1 1 9 ASN O O 1.933 -1.218 1.063 . . . 1.0 . . . . . . . . . . . . A . 9 ASN O . . . . . . . . . c19501_2mdq 1 . 10 . 2004 . 1 1 9 ASN OD1 O 0.147 -0.518 3.825 . . . 1.0 . . . . . . . . . . . . A . 9 ASN OD1 . . . . . . . . . c19501_2mdq 1 . 10 . 2005 . 1 1 10 VAL C C 2.877 -3.988 0.316 . . . 1.0 . . . . . . . . . . . . A . 10 VAL C . . . . . . . . . c19501_2mdq 1 . 10 . 2006 . 1 1 10 VAL CA C 1.779 -4.021 1.375 . . . 1.0 . . . . . . . . . . . . A . 10 VAL CA . . . . . . . . . c19501_2mdq 1 . 10 . 2007 . 1 1 10 VAL CB C 1.253 -5.468 1.524 . . . 1.0 . . . . . . . . . . . . A . 10 VAL CB . . . . . . . . . c19501_2mdq 1 . 10 . 2008 . 1 1 10 VAL CG1 C 2.362 -6.426 1.931 . . . 1.0 . . . . . . . . . . . . A . 10 VAL CG1 . . . . . . . . . c19501_2mdq 1 . 10 . 2009 . 1 1 10 VAL CG2 C 0.102 -5.533 2.515 . . . 1.0 . . . . . . . . . . . . A . 10 VAL CG2 . . . . . . . . . c19501_2mdq 1 . 10 . 2010 . 1 1 10 VAL H H -0.204 -3.446 0.892 . . . 1.0 . . . . . . . . . . . . A . 10 VAL H . . . . . . . . . c19501_2mdq 1 . 10 . 2011 . 1 1 10 VAL HA H 2.207 -3.727 2.318 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HA . . . . . . . . . c19501_2mdq 1 . 10 . 2012 . 1 1 10 VAL HB H 0.884 -5.758 0.556 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HB . . . . . . . . . c19501_2mdq 1 . 10 . 2013 . 1 1 10 VAL HG11 H 3.141 -6.412 1.183 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG11 . . . . . . . . . c19501_2mdq 1 . 10 . 2014 . 1 1 10 VAL HG12 H 1.956 -7.424 2.009 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG12 . . . . . . . . . c19501_2mdq 1 . 10 . 2015 . 1 1 10 VAL HG13 H 2.769 -6.126 2.885 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG13 . . . . . . . . . c19501_2mdq 1 . 10 . 2016 . 1 1 10 VAL HG21 H 0.442 -5.193 3.480 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG21 . . . . . . . . . c19501_2mdq 1 . 10 . 2017 . 1 1 10 VAL HG22 H -0.247 -6.553 2.596 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG22 . . . . . . . . . c19501_2mdq 1 . 10 . 2018 . 1 1 10 VAL HG23 H -0.707 -4.903 2.175 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG23 . . . . . . . . . c19501_2mdq 1 . 10 . 2019 . 1 1 10 VAL N N 0.701 -3.107 1.057 . . . 1.0 . . . . . . . . . . . . A . 10 VAL N . . . . . . . . . c19501_2mdq 1 . 10 . 2020 . 1 1 10 VAL O O 4.061 -3.967 0.638 . . . 1.0 . . . . . . . . . . . . A . 10 VAL O . . . . . . . . . c19501_2mdq 1 . 10 . 2021 . 1 1 11 ASP C C 3.971 -2.590 -2.405 . . . 1.0 . . . . . . . . . . . . A . 11 ASP C . . . . . . . . . c19501_2mdq 1 . 10 . 2022 . 1 1 11 ASP CA C 3.459 -3.968 -2.014 . . . 1.0 . . . . . . . . . . . . A . 11 ASP CA . . . . . . . . . c19501_2mdq 1 . 10 . 2023 . 1 1 11 ASP CB C 2.956 -4.768 -3.226 . . . 1.0 . . . . . . . . . . . . A . 11 ASP CB . . . . . . . . . c19501_2mdq 1 . 10 . 2024 . 1 1 11 ASP CG C 1.638 -4.310 -3.790 . . . 1.0 . . . . . . . . . . . . A . 11 ASP CG . . . . . . . . . c19501_2mdq 1 . 10 . 2025 . 1 1 11 ASP H H 1.540 -3.848 -1.164 . . . 1.0 . . . . . . . . . . . . A . 11 ASP H . . . . . . . . . c19501_2mdq 1 . 10 . 2026 . 1 1 11 ASP HA H 4.311 -4.491 -1.604 . . . 1.0 . . . . . . . . . . . . A . 11 ASP HA . . . . . . . . . c19501_2mdq 1 . 10 . 2027 . 1 1 11 ASP HB2 H 3.691 -4.680 -4.011 . . . 1.0 . . . . . . . . . . . . A . 11 ASP HB2 . . . . . . . . . c19501_2mdq 1 . 10 . 2028 . 1 1 11 ASP HB3 H 2.873 -5.808 -2.949 . . . 1.0 . . . . . . . . . . . . A . 11 ASP HB3 . . . . . . . . . c19501_2mdq 1 . 10 . 2029 . 1 1 11 ASP N N 2.492 -3.931 -0.934 . . . 1.0 . . . . . . . . . . . . A . 11 ASP N . . . . . . . . . c19501_2mdq 1 . 10 . 2030 . 1 1 11 ASP O O 4.620 -2.428 -3.447 . . . 1.0 . . . . . . . . . . . . A . 11 ASP O . . . . . . . . . c19501_2mdq 1 . 10 . 2031 . 1 1 11 ASP OD1 O 0.586 -4.725 -3.252 . . . 1.0 . . . . . . . . . . . . A . 11 ASP OD1 . . . . . . . . . c19501_2mdq 1 . 10 . 2032 . 1 1 11 ASP OD2 O 1.623 -3.603 -4.811 . . . 1.0 . . . . . . . . . . . . A . 11 ASP OD2 . . . . . . . . . c19501_2mdq 1 . 10 . 2033 . 1 1 12 HIS C C 5.184 0.103 -0.566 . . . 1.0 . . . . . . . . . . . . A . 12 HIS C . . . . . . . . . c19501_2mdq 1 . 10 . 2034 . 1 1 12 HIS CA C 4.279 -0.291 -1.731 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CA . . . . . . . . . c19501_2mdq 1 . 10 . 2035 . 1 1 12 HIS CB C 3.198 0.751 -1.920 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CB . . . . . . . . . c19501_2mdq 1 . 10 . 2036 . 1 1 12 HIS CD2 C 1.844 0.074 -3.991 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CD2 . . . . . . . . . c19501_2mdq 1 . 10 . 2037 . 1 1 12 HIS CE1 C 2.416 1.669 -5.335 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CE1 . . . . . . . . . c19501_2mdq 1 . 10 . 2038 . 1 1 12 HIS CG C 2.691 0.867 -3.311 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CG . . . . . . . . . c19501_2mdq 1 . 10 . 2039 . 1 1 12 HIS H H 3.140 -1.724 -0.780 . . . 1.0 . . . . . . . . . . . . A . 12 HIS H . . . . . . . . . c19501_2mdq 1 . 10 . 2040 . 1 1 12 HIS HA H 4.874 -0.323 -2.629 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HA . . . . . . . . . c19501_2mdq 1 . 10 . 2041 . 1 1 12 HIS HB2 H 2.374 0.441 -1.300 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HB2 . . . . . . . . . c19501_2mdq 1 . 10 . 2042 . 1 1 12 HIS HB3 H 3.569 1.698 -1.573 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HB3 . . . . . . . . . c19501_2mdq 1 . 10 . 2043 . 1 1 12 HIS HD1 H 3.643 2.642 -4.016 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HD1 . . . . . . . . . c19501_2mdq 1 . 10 . 2044 . 1 1 12 HIS HD2 H 1.368 -0.818 -3.605 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HD2 . . . . . . . . . c19501_2mdq 1 . 10 . 2045 . 1 1 12 HIS HE1 H 2.517 2.294 -6.212 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HE1 . . . . . . . . . c19501_2mdq 1 . 10 . 2046 . 1 1 12 HIS N N 3.728 -1.601 -1.554 . . . 1.0 . . . . . . . . . . . . A . 12 HIS N . . . . . . . . . c19501_2mdq 1 . 10 . 2047 . 1 1 12 HIS ND1 N 3.044 1.883 -4.185 . . . 1.0 . . . . . . . . . . . . A . 12 HIS ND1 . . . . . . . . . c19501_2mdq 1 . 10 . 2048 . 1 1 12 HIS NE2 N 1.673 0.587 -5.274 . . . 1.0 . . . . . . . . . . . . A . 12 HIS NE2 . . . . . . . . . c19501_2mdq 1 . 10 . 2049 . 1 1 12 HIS O O 4.760 0.845 0.327 . . . 1.0 . . . . . . . . . . . . A . 12 HIS O . . . . . . . . . c19501_2mdq 1 . 10 . 2050 . 1 1 13 PRO C C 7.797 1.381 0.519 . . . 1.0 . . . . . . . . . . . . A . 13 PRO C . . . . . . . . . c19501_2mdq 1 . 10 . 2051 . 1 1 13 PRO CA C 7.417 -0.078 0.538 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CA . . . . . . . . . c19501_2mdq 1 . 10 . 2052 . 1 1 13 PRO CB C 8.645 -0.938 0.188 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CB . . . . . . . . . c19501_2mdq 1 . 10 . 2053 . 1 1 13 PRO CD C 7.046 -1.295 -1.538 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CD . . . . . . . . . c19501_2mdq 1 . 10 . 2054 . 1 1 13 PRO CG C 8.138 -1.966 -0.764 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CG . . . . . . . . . c19501_2mdq 1 . 10 . 2055 . 1 1 13 PRO HA H 7.036 -0.339 1.510 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HA . . . . . . . . . c19501_2mdq 1 . 10 . 2056 . 1 1 13 PRO HB2 H 9.394 -0.310 -0.274 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HB2 . . . . . . . . . c19501_2mdq 1 . 10 . 2057 . 1 1 13 PRO HB3 H 9.054 -1.387 1.080 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HB3 . . . . . . . . . c19501_2mdq 1 . 10 . 2058 . 1 1 13 PRO HD2 H 7.452 -0.742 -2.372 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HD2 . . . . . . . . . c19501_2mdq 1 . 10 . 2059 . 1 1 13 PRO HD3 H 6.320 -2.019 -1.876 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HD3 . . . . . . . . . c19501_2mdq 1 . 10 . 2060 . 1 1 13 PRO HG2 H 8.931 -2.282 -1.425 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HG2 . . . . . . . . . c19501_2mdq 1 . 10 . 2061 . 1 1 13 PRO HG3 H 7.744 -2.811 -0.218 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HG3 . . . . . . . . . c19501_2mdq 1 . 10 . 2062 . 1 1 13 PRO N N 6.451 -0.388 -0.542 . . . 1.0 . . . . . . . . . . . . A . 13 PRO N . . . . . . . . . c19501_2mdq 1 . 10 . 2063 . 1 1 13 PRO O O 8.123 1.979 1.533 . . . 1.0 . . . . . . . . . . . . A . 13 PRO O . . . . . . . . . c19501_2mdq 1 . 10 . 2064 . 1 1 14 GLU C C 7.009 4.254 -0.344 . . . 1.0 . . . . . . . . . . . . A . 14 GLU C . . . . . . . . . c19501_2mdq 1 . 10 . 2065 . 1 1 14 GLU CA C 8.035 3.281 -0.936 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CA . . . . . . . . . c19501_2mdq 1 . 10 . 2066 . 1 1 14 GLU CB C 8.135 3.446 -2.447 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CB . . . . . . . . . c19501_2mdq 1 . 10 . 2067 . 1 1 14 GLU CD C 7.021 3.209 -4.697 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CD . . . . . . . . . c19501_2mdq 1 . 10 . 2068 . 1 1 14 GLU CG C 6.890 3.019 -3.211 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CG . . . . . . . . . c19501_2mdq 1 . 10 . 2069 . 1 1 14 GLU H H 7.396 1.366 -1.389 . . . 1.0 . . . . . . . . . . . . A . 14 GLU H . . . . . . . . . c19501_2mdq 1 . 10 . 2070 . 1 1 14 GLU HA H 9.007 3.490 -0.515 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HA . . . . . . . . . c19501_2mdq 1 . 10 . 2071 . 1 1 14 GLU HB2 H 8.286 4.492 -2.638 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HB2 . . . . . . . . . c19501_2mdq 1 . 10 . 2072 . 1 1 14 GLU HB3 H 8.979 2.885 -2.818 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HB3 . . . . . . . . . c19501_2mdq 1 . 10 . 2073 . 1 1 14 GLU HG2 H 6.688 1.976 -3.014 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HG2 . . . . . . . . . c19501_2mdq 1 . 10 . 2074 . 1 1 14 GLU HG3 H 6.066 3.618 -2.860 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HG3 . . . . . . . . . c19501_2mdq 1 . 10 . 2075 . 1 1 14 GLU N N 7.705 1.930 -0.655 . . . 1.0 . . . . . . . . . . . . A . 14 GLU N . . . . . . . . . c19501_2mdq 1 . 10 . 2076 . 1 1 14 GLU O O 7.308 5.428 -0.132 . . . 1.0 . . . . . . . . . . . . A . 14 GLU O . . . . . . . . . c19501_2mdq 1 . 10 . 2077 . 1 1 14 GLU OE1 O 6.815 4.335 -5.184 . . . 1.0 . . . . . . . . . . . . A . 14 GLU OE1 . . . . . . . . . c19501_2mdq 1 . 10 . 2078 . 1 1 14 GLU OE2 O 7.322 2.237 -5.409 . . . 1.0 . . . . . . . . . . . . A . 14 GLU OE2 . . . . . . . . . c19501_2mdq 1 . 10 . 2079 . 1 1 15 ILE C C 4.461 4.235 1.896 . . . 1.0 . . . . . . . . . . . . A . 15 ILE C . . . . . . . . . c19501_2mdq 1 . 10 . 2080 . 1 1 15 ILE CA C 4.770 4.637 0.466 . . . 1.0 . . . . . . . . . . . . A . 15 ILE CA . . . . . . . . . c19501_2mdq 1 . 10 . 2081 . 1 1 15 ILE CB C 3.442 4.592 -0.368 . . . 1.0 . . . . . . . . . . . . A . 15 ILE CB . . . . . . . . . c19501_2mdq 1 . 10 . 2082 . 1 1 15 ILE CD1 C 4.362 6.075 -2.266 . . . 1.0 . . . . . . . . . . . . A . 15 ILE CD1 . . . . . . . . . c19501_2mdq 1 . 10 . 2083 . 1 1 15 ILE CG1 C 3.688 4.772 -1.878 . . . 1.0 . . . . . . . . . . . . A . 15 ILE CG1 . . . . . . . . . c19501_2mdq 1 . 10 . 2084 . 1 1 15 ILE CG2 C 2.470 5.666 0.118 . . . 1.0 . . . . . . . . . . . . A . 15 ILE CG2 . . . . . . . . . c19501_2mdq 1 . 10 . 2085 . 1 1 15 ILE H H 5.634 2.816 -0.201 . . . 1.0 . . . . . . . . . . . . A . 15 ILE H . . . . . . . . . c19501_2mdq 1 . 10 . 2086 . 1 1 15 ILE HA H 5.147 5.644 0.475 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HA . . . . . . . . . c19501_2mdq 1 . 10 . 2087 . 1 1 15 ILE HB H 2.980 3.631 -0.196 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HB . . . . . . . . . c19501_2mdq 1 . 10 . 2088 . 1 1 15 ILE HD11 H 4.470 6.116 -3.340 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HD11 . . . . . . . . . c19501_2mdq 1 . 10 . 2089 . 1 1 15 ILE HD12 H 5.336 6.125 -1.804 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HD12 . . . . . . . . . c19501_2mdq 1 . 10 . 2090 . 1 1 15 ILE HD13 H 3.759 6.904 -1.930 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HD13 . . . . . . . . . c19501_2mdq 1 . 10 . 2091 . 1 1 15 ILE HG12 H 4.291 3.953 -2.237 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HG12 . . . . . . . . . c19501_2mdq 1 . 10 . 2092 . 1 1 15 ILE HG13 H 2.733 4.732 -2.379 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HG13 . . . . . . . . . c19501_2mdq 1 . 10 . 2093 . 1 1 15 ILE HG21 H 2.910 6.640 -0.033 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HG21 . . . . . . . . . c19501_2mdq 1 . 10 . 2094 . 1 1 15 ILE HG22 H 2.267 5.521 1.170 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HG22 . . . . . . . . . c19501_2mdq 1 . 10 . 2095 . 1 1 15 ILE HG23 H 1.547 5.597 -0.439 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HG23 . . . . . . . . . c19501_2mdq 1 . 10 . 2096 . 1 1 15 ILE N N 5.806 3.771 -0.069 . . . 1.0 . . . . . . . . . . . . A . 15 ILE N . . . . . . . . . c19501_2mdq 1 . 10 . 2097 . 1 1 15 ILE O O 4.444 5.065 2.809 . . . 1.0 . . . . . . . . . . . . A . 15 ILE O . . . . . . . . . c19501_2mdq 1 . 10 . 2098 . 1 1 16 CYS C C 4.822 1.311 3.762 . . . 1.0 . . . . . . . . . . . . A . 16 CYS C . . . . . . . . . c19501_2mdq 1 . 10 . 2099 . 1 1 16 CYS CA C 3.867 2.422 3.339 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CA . . . . . . . . . c19501_2mdq 1 . 10 . 2100 . 1 1 16 CYS CB C 2.455 1.922 3.259 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CB . . . . . . . . . c19501_2mdq 1 . 10 . 2101 . 1 1 16 CYS H H 4.315 2.349 1.323 . . . 1.0 . . . . . . . . . . . . A . 16 CYS H . . . . . . . . . c19501_2mdq 1 . 10 . 2102 . 1 1 16 CYS HA H 3.897 3.213 4.065 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HA . . . . . . . . . c19501_2mdq 1 . 10 . 2103 . 1 1 16 CYS HB2 H 2.464 1.186 2.477 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB2 . . . . . . . . . c19501_2mdq 1 . 10 . 2104 . 1 1 16 CYS HB3 H 2.180 1.464 4.194 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB3 . . . . . . . . . c19501_2mdq 1 . 10 . 2105 . 1 1 16 CYS N N 4.237 2.968 2.076 . . . 1.0 . . . . . . . . . . . . A . 16 CYS N . . . . . . . . . c19501_2mdq 1 . 10 . 2106 . 1 1 16 CYS O O 5.711 1.529 4.586 . . . 1.0 . . . . . . . . . . . . A . 16 CYS O . . . . . . . . . c19501_2mdq 1 . 10 . 2107 . 1 1 16 CYS SG S 1.230 3.205 2.823 . . . 1.0 . . . . . . . . . . . . A . 16 CYS SG . . . . . . . . . c19501_2mdq 1 . 10 . 2108 . 1 1 17 NH2 HN1 H 3.926 -0.010 2.564 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 HN1 . . . . . . . . . c19501_2mdq 1 . 10 . 2109 . 1 1 17 NH2 HN2 H 5.252 -0.604 3.490 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 HN2 . . . . . . . . . c19501_2mdq 1 . 10 . 2110 . 1 1 17 NH2 N N 4.647 0.117 3.216 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 N . . . . . . . . . c19501_2mdq 1 . 11 . 2111 . 1 1 1 GLY C C -3.971 4.213 -3.395 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c19501_2mdq 1 . 11 . 2112 . 1 1 1 GLY CA C -4.056 5.455 -4.246 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c19501_2mdq 1 . 11 . 2113 . 1 1 1 GLY H1 H -4.338 7.490 -4.029 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c19501_2mdq 1 . 11 . 2114 . 1 1 1 GLY H2 H -3.518 6.756 -2.758 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H2 . . . . . . . . . c19501_2mdq 1 . 11 . 2115 . 1 1 1 GLY H3 H -5.186 6.541 -2.912 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H3 . . . . . . . . . c19501_2mdq 1 . 11 . 2116 . 1 1 1 GLY HA2 H -4.861 5.341 -4.954 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c19501_2mdq 1 . 11 . 2117 . 1 1 1 GLY HA3 H -3.129 5.582 -4.785 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c19501_2mdq 1 . 11 . 2118 . 1 1 1 GLY N N -4.295 6.637 -3.438 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c19501_2mdq 1 . 11 . 2119 . 1 1 1 GLY O O -4.781 4.016 -2.488 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c19501_2mdq 1 . 11 . 2120 . 1 1 2 CYS C C -2.589 2.169 -1.488 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . c19501_2mdq 1 . 11 . 2121 . 1 1 2 CYS CA C -2.732 2.143 -2.988 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . c19501_2mdq 1 . 11 . 2122 . 1 1 2 CYS CB C -1.557 1.484 -3.585 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . c19501_2mdq 1 . 11 . 2123 . 1 1 2 CYS H H -2.257 3.680 -4.284 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . c19501_2mdq 1 . 11 . 2124 . 1 1 2 CYS HA H -3.576 1.537 -3.244 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . c19501_2mdq 1 . 11 . 2125 . 1 1 2 CYS HB2 H -0.872 2.297 -3.748 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . c19501_2mdq 1 . 11 . 2126 . 1 1 2 CYS HB3 H -1.148 0.791 -2.874 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . c19501_2mdq 1 . 11 . 2127 . 1 1 2 CYS N N -2.944 3.421 -3.631 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . c19501_2mdq 1 . 11 . 2128 . 1 1 2 CYS O O -2.732 1.150 -0.836 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . c19501_2mdq 1 . 11 . 2129 . 1 1 2 CYS SG S -1.876 0.697 -5.182 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . c19501_2mdq 1 . 11 . 2130 . 1 1 3 CYS C C -3.425 3.175 1.240 . . . 1.0 . . . . . . . . . . . . A . 3 CYS C . . . . . . . . . c19501_2mdq 1 . 11 . 2131 . 1 1 3 CYS CA C -2.145 3.414 0.468 . . . 1.0 . . . . . . . . . . . . A . 3 CYS CA . . . . . . . . . c19501_2mdq 1 . 11 . 2132 . 1 1 3 CYS CB C -1.523 4.726 0.812 . . . 1.0 . . . . . . . . . . . . A . 3 CYS CB . . . . . . . . . c19501_2mdq 1 . 11 . 2133 . 1 1 3 CYS H H -2.188 4.072 -1.520 . . . 1.0 . . . . . . . . . . . . A . 3 CYS H . . . . . . . . . c19501_2mdq 1 . 11 . 2134 . 1 1 3 CYS HA H -1.470 2.623 0.742 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HA . . . . . . . . . c19501_2mdq 1 . 11 . 2135 . 1 1 3 CYS HB2 H -2.079 5.485 0.278 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HB2 . . . . . . . . . c19501_2mdq 1 . 11 . 2136 . 1 1 3 CYS HB3 H -1.673 4.868 1.862 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HB3 . . . . . . . . . c19501_2mdq 1 . 11 . 2137 . 1 1 3 CYS N N -2.317 3.289 -0.948 . . . 1.0 . . . . . . . . . . . . A . 3 CYS N . . . . . . . . . c19501_2mdq 1 . 11 . 2138 . 1 1 3 CYS O O -3.412 2.605 2.324 . . . 1.0 . . . . . . . . . . . . A . 3 CYS O . . . . . . . . . c19501_2mdq 1 . 11 . 2139 . 1 1 3 CYS SG S 0.241 4.886 0.346 . . . 1.0 . . . . . . . . . . . . A . 3 CYS SG . . . . . . . . . c19501_2mdq 1 . 11 . 2140 . 1 1 4 SER C C -6.344 1.929 0.868 . . . 1.0 . . . . . . . . . . . . A . 4 SER C . . . . . . . . . c19501_2mdq 1 . 11 . 2141 . 1 1 4 SER CA C -5.811 3.319 1.255 . . . 1.0 . . . . . . . . . . . . A . 4 SER CA . . . . . . . . . c19501_2mdq 1 . 11 . 2142 . 1 1 4 SER CB C -6.777 4.414 0.820 . . . 1.0 . . . . . . . . . . . . A . 4 SER CB . . . . . . . . . c19501_2mdq 1 . 11 . 2143 . 1 1 4 SER H H -4.376 4.036 -0.179 . . . 1.0 . . . . . . . . . . . . A . 4 SER H . . . . . . . . . c19501_2mdq 1 . 11 . 2144 . 1 1 4 SER HA H -5.699 3.355 2.330 . . . 1.0 . . . . . . . . . . . . A . 4 SER HA . . . . . . . . . c19501_2mdq 1 . 11 . 2145 . 1 1 4 SER HB2 H -7.778 4.140 1.118 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB2 . . . . . . . . . c19501_2mdq 1 . 11 . 2146 . 1 1 4 SER HB3 H -6.502 5.350 1.281 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB3 . . . . . . . . . c19501_2mdq 1 . 11 . 2147 . 1 1 4 SER HG H -5.984 5.090 -0.815 . . . 1.0 . . . . . . . . . . . . A . 4 SER HG . . . . . . . . . c19501_2mdq 1 . 11 . 2148 . 1 1 4 SER N N -4.501 3.555 0.665 . . . 1.0 . . . . . . . . . . . . A . 4 SER N . . . . . . . . . c19501_2mdq 1 . 11 . 2149 . 1 1 4 SER O O -7.514 1.614 1.073 . . . 1.0 . . . . . . . . . . . . A . 4 SER O . . . . . . . . . c19501_2mdq 1 . 11 . 2150 . 1 1 4 SER OG O -6.768 4.576 -0.586 . . . 1.0 . . . . . . . . . . . . A . 4 SER OG . . . . . . . . . c19501_2mdq 1 . 11 . 2151 . 1 1 5 HIS C C -4.844 -1.199 0.533 . . . 1.0 . . . . . . . . . . . . A . 5 HIS C . . . . . . . . . c19501_2mdq 1 . 11 . 2152 . 1 1 5 HIS CA C -5.769 -0.215 -0.145 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CA . . . . . . . . . c19501_2mdq 1 . 11 . 2153 . 1 1 5 HIS CB C -5.567 -0.290 -1.662 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CB . . . . . . . . . c19501_2mdq 1 . 11 . 2154 . 1 1 5 HIS CD2 C -6.920 1.708 -2.605 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CD2 . . . . . . . . . c19501_2mdq 1 . 11 . 2155 . 1 1 5 HIS CE1 C -8.355 0.619 -3.801 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CE1 . . . . . . . . . c19501_2mdq 1 . 11 . 2156 . 1 1 5 HIS CG C -6.635 0.392 -2.463 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CG . . . . . . . . . c19501_2mdq 1 . 11 . 2157 . 1 1 5 HIS H H -4.528 1.405 0.245 . . . 1.0 . . . . . . . . . . . . A . 5 HIS H . . . . . . . . . c19501_2mdq 1 . 11 . 2158 . 1 1 5 HIS HA H -6.797 -0.445 0.086 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HA . . . . . . . . . c19501_2mdq 1 . 11 . 2159 . 1 1 5 HIS HB2 H -4.632 0.221 -1.852 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB2 . . . . . . . . . c19501_2mdq 1 . 11 . 2160 . 1 1 5 HIS HB3 H -5.482 -1.319 -1.975 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB3 . . . . . . . . . c19501_2mdq 1 . 11 . 2161 . 1 1 5 HIS HD1 H -7.602 -1.252 -3.368 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD1 . . . . . . . . . c19501_2mdq 1 . 11 . 2162 . 1 1 5 HIS HD2 H -6.383 2.522 -2.140 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD2 . . . . . . . . . c19501_2mdq 1 . 11 . 2163 . 1 1 5 HIS HE1 H -9.175 0.368 -4.460 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HE1 . . . . . . . . . c19501_2mdq 1 . 11 . 2164 . 1 1 5 HIS N N -5.463 1.117 0.321 . . . 1.0 . . . . . . . . . . . . A . 5 HIS N . . . . . . . . . c19501_2mdq 1 . 11 . 2165 . 1 1 5 HIS ND1 N -7.554 -0.279 -3.233 . . . 1.0 . . . . . . . . . . . . A . 5 HIS ND1 . . . . . . . . . c19501_2mdq 1 . 11 . 2166 . 1 1 5 HIS NE2 N -8.015 1.850 -3.453 . . . 1.0 . . . . . . . . . . . . A . 5 HIS NE2 . . . . . . . . . c19501_2mdq 1 . 11 . 2167 . 1 1 5 HIS O O -3.685 -1.291 0.162 . . . 1.0 . . . . . . . . . . . . A . 5 HIS O . . . . . . . . . c19501_2mdq 1 . 11 . 2168 . 1 1 6 PRO C C -3.645 -3.802 1.510 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . c19501_2mdq 1 . 11 . 2169 . 1 1 6 PRO CA C -4.527 -2.873 2.340 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . c19501_2mdq 1 . 11 . 2170 . 1 1 6 PRO CB C -5.575 -3.665 3.111 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . c19501_2mdq 1 . 11 . 2171 . 1 1 6 PRO CD C -6.737 -1.916 2.012 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . c19501_2mdq 1 . 11 . 2172 . 1 1 6 PRO CG C -6.677 -2.694 3.294 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . c19501_2mdq 1 . 11 . 2173 . 1 1 6 PRO HA H -3.905 -2.335 3.036 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . c19501_2mdq 1 . 11 . 2174 . 1 1 6 PRO HB2 H -5.883 -4.520 2.527 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB2 . . . . . . . . . c19501_2mdq 1 . 11 . 2175 . 1 1 6 PRO HB3 H -5.171 -3.991 4.058 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . c19501_2mdq 1 . 11 . 2176 . 1 1 6 PRO HD2 H -7.391 -2.403 1.304 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD2 . . . . . . . . . c19501_2mdq 1 . 11 . 2177 . 1 1 6 PRO HD3 H -7.063 -0.903 2.196 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . c19501_2mdq 1 . 11 . 2178 . 1 1 6 PRO HG2 H -7.608 -3.208 3.478 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG2 . . . . . . . . . c19501_2mdq 1 . 11 . 2179 . 1 1 6 PRO HG3 H -6.449 -2.034 4.118 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . c19501_2mdq 1 . 11 . 2180 . 1 1 6 PRO N N -5.337 -1.936 1.541 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . c19501_2mdq 1 . 11 . 2181 . 1 1 6 PRO O O -2.454 -3.938 1.786 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . c19501_2mdq 1 . 11 . 2182 . 1 1 7 ALA C C -2.348 -4.627 -1.122 . . . 1.0 . . . . . . . . . . . . A . 7 ALA C . . . . . . . . . c19501_2mdq 1 . 11 . 2183 . 1 1 7 ALA CA C -3.471 -5.315 -0.356 . . . 1.0 . . . . . . . . . . . . A . 7 ALA CA . . . . . . . . . c19501_2mdq 1 . 11 . 2184 . 1 1 7 ALA CB C -4.405 -6.051 -1.305 . . . 1.0 . . . . . . . . . . . . A . 7 ALA CB . . . . . . . . . c19501_2mdq 1 . 11 . 2185 . 1 1 7 ALA H H -5.125 -4.137 0.226 . . . 1.0 . . . . . . . . . . . . A . 7 ALA H . . . . . . . . . c19501_2mdq 1 . 11 . 2186 . 1 1 7 ALA HA H -3.029 -6.040 0.311 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HA . . . . . . . . . c19501_2mdq 1 . 11 . 2187 . 1 1 7 ALA HB1 H -5.192 -6.527 -0.740 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB1 . . . . . . . . . c19501_2mdq 1 . 11 . 2188 . 1 1 7 ALA HB2 H -3.849 -6.801 -1.849 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB2 . . . . . . . . . c19501_2mdq 1 . 11 . 2189 . 1 1 7 ALA HB3 H -4.836 -5.349 -2.003 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB3 . . . . . . . . . c19501_2mdq 1 . 11 . 2190 . 1 1 7 ALA N N -4.201 -4.374 0.462 . . . 1.0 . . . . . . . . . . . . A . 7 ALA N . . . . . . . . . c19501_2mdq 1 . 11 . 2191 . 1 1 7 ALA O O -1.238 -5.124 -1.165 . . . 1.0 . . . . . . . . . . . . A . 7 ALA O . . . . . . . . . c19501_2mdq 1 . 11 . 2192 . 1 1 8 CYS C C -0.651 -1.980 -1.596 . . . 1.0 . . . . . . . . . . . . A . 8 CYS C . . . . . . . . . c19501_2mdq 1 . 11 . 2193 . 1 1 8 CYS CA C -1.637 -2.748 -2.478 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CA . . . . . . . . . c19501_2mdq 1 . 11 . 2194 . 1 1 8 CYS CB C -2.354 -1.792 -3.448 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CB . . . . . . . . . c19501_2mdq 1 . 11 . 2195 . 1 1 8 CYS H H -3.489 -3.039 -1.463 . . . 1.0 . . . . . . . . . . . . A . 8 CYS H . . . . . . . . . c19501_2mdq 1 . 11 . 2196 . 1 1 8 CYS HA H -1.084 -3.481 -3.043 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HA . . . . . . . . . c19501_2mdq 1 . 11 . 2197 . 1 1 8 CYS HB2 H -3.240 -2.267 -3.838 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB2 . . . . . . . . . c19501_2mdq 1 . 11 . 2198 . 1 1 8 CYS HB3 H -2.648 -0.915 -2.890 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB3 . . . . . . . . . c19501_2mdq 1 . 11 . 2199 . 1 1 8 CYS N N -2.617 -3.449 -1.645 . . . 1.0 . . . . . . . . . . . . A . 8 CYS N . . . . . . . . . c19501_2mdq 1 . 11 . 2200 . 1 1 8 CYS O O 0.432 -1.594 -2.022 . . . 1.0 . . . . . . . . . . . . A . 8 CYS O . . . . . . . . . c19501_2mdq 1 . 11 . 2201 . 1 1 8 CYS SG S -1.341 -1.233 -4.873 . . . 1.0 . . . . . . . . . . . . A . 8 CYS SG . . . . . . . . . c19501_2mdq 1 . 11 . 2202 . 1 1 9 ASN C C 1.033 -1.908 0.906 . . . 1.0 . . . . . . . . . . . . A . 9 ASN C . . . . . . . . . c19501_2mdq 1 . 11 . 2203 . 1 1 9 ASN CA C -0.214 -1.088 0.626 . . . 1.0 . . . . . . . . . . . . A . 9 ASN CA . . . . . . . . . c19501_2mdq 1 . 11 . 2204 . 1 1 9 ASN CB C -0.994 -0.961 1.921 . . . 1.0 . . . . . . . . . . . . A . 9 ASN CB . . . . . . . . . c19501_2mdq 1 . 11 . 2205 . 1 1 9 ASN CG C -0.422 0.045 2.895 . . . 1.0 . . . . . . . . . . . . A . 9 ASN CG . . . . . . . . . c19501_2mdq 1 . 11 . 2206 . 1 1 9 ASN H H -1.921 -2.105 -0.080 . . . 1.0 . . . . . . . . . . . . A . 9 ASN H . . . . . . . . . c19501_2mdq 1 . 11 . 2207 . 1 1 9 ASN HA H 0.043 -0.110 0.258 . . . 1.0 . . . . . . . . . . . . A . 9 ASN HA . . . . . . . . . c19501_2mdq 1 . 11 . 2208 . 1 1 9 ASN HB2 H -2.022 -0.726 1.700 . . . 1.0 . . . . . . . . . . . . A . 9 ASN HB2 . . . . . . . . . c19501_2mdq 1 . 11 . 2209 . 1 1 9 ASN HB3 H -0.953 -1.935 2.374 . . . 1.0 . . . . . . . . . . . . A . 9 ASN HB3 . . . . . . . . . c19501_2mdq 1 . 11 . 2210 . 1 1 9 ASN HD21 H -1.816 1.337 2.390 . . . 1.0 . . . . . . . . . . . . A . 9 ASN HD21 . . . . . . . . . c19501_2mdq 1 . 11 . 2211 . 1 1 9 ASN HD22 H -0.706 1.887 3.576 . . . 1.0 . . . . . . . . . . . . A . 9 ASN HD22 . . . . . . . . . c19501_2mdq 1 . 11 . 2212 . 1 1 9 ASN N N -1.031 -1.789 -0.353 . . . 1.0 . . . . . . . . . . . . A . 9 ASN N . . . . . . . . . c19501_2mdq 1 . 11 . 2213 . 1 1 9 ASN ND2 N -1.029 1.194 2.960 . . . 1.0 . . . . . . . . . . . . A . 9 ASN ND2 . . . . . . . . . c19501_2mdq 1 . 11 . 2214 . 1 1 9 ASN O O 2.139 -1.378 1.060 . . . 1.0 . . . . . . . . . . . . A . 9 ASN O . . . . . . . . . c19501_2mdq 1 . 11 . 2215 . 1 1 9 ASN OD1 O 0.510 -0.243 3.642 . . . 1.0 . . . . . . . . . . . . A . 9 ASN OD1 . . . . . . . . . c19501_2mdq 1 . 11 . 2216 . 1 1 10 VAL C C 2.999 -4.166 0.222 . . . 1.0 . . . . . . . . . . . . A . 10 VAL C . . . . . . . . . c19501_2mdq 1 . 11 . 2217 . 1 1 10 VAL CA C 1.851 -4.197 1.233 . . . 1.0 . . . . . . . . . . . . A . 10 VAL CA . . . . . . . . . c19501_2mdq 1 . 11 . 2218 . 1 1 10 VAL CB C 1.257 -5.631 1.296 . . . 1.0 . . . . . . . . . . . . A . 10 VAL CB . . . . . . . . . c19501_2mdq 1 . 11 . 2219 . 1 1 10 VAL CG1 C 2.335 -6.682 1.560 . . . 1.0 . . . . . . . . . . . . A . 10 VAL CG1 . . . . . . . . . c19501_2mdq 1 . 11 . 2220 . 1 1 10 VAL CG2 C 0.175 -5.720 2.354 . . . 1.0 . . . . . . . . . . . . A . 10 VAL CG2 . . . . . . . . . c19501_2mdq 1 . 11 . 2221 . 1 1 10 VAL H H -0.100 -3.500 0.773 . . . 1.0 . . . . . . . . . . . . A . 10 VAL H . . . . . . . . . c19501_2mdq 1 . 11 . 2222 . 1 1 10 VAL HA H 2.247 -3.970 2.209 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HA . . . . . . . . . c19501_2mdq 1 . 11 . 2223 . 1 1 10 VAL HB H 0.808 -5.821 0.335 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HB . . . . . . . . . c19501_2mdq 1 . 11 . 2224 . 1 1 10 VAL HG11 H 3.077 -6.643 0.778 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG11 . . . . . . . . . c19501_2mdq 1 . 11 . 2225 . 1 1 10 VAL HG12 H 1.884 -7.664 1.579 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG12 . . . . . . . . . c19501_2mdq 1 . 11 . 2226 . 1 1 10 VAL HG13 H 2.803 -6.486 2.513 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG13 . . . . . . . . . c19501_2mdq 1 . 11 . 2227 . 1 1 10 VAL HG21 H -0.613 -5.018 2.124 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG21 . . . . . . . . . c19501_2mdq 1 . 11 . 2228 . 1 1 10 VAL HG22 H 0.596 -5.486 3.320 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG22 . . . . . . . . . c19501_2mdq 1 . 11 . 2229 . 1 1 10 VAL HG23 H -0.229 -6.722 2.368 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG23 . . . . . . . . . c19501_2mdq 1 . 11 . 2230 . 1 1 10 VAL N N 0.822 -3.212 0.943 . . . 1.0 . . . . . . . . . . . . A . 10 VAL N . . . . . . . . . c19501_2mdq 1 . 11 . 2231 . 1 1 10 VAL O O 4.172 -4.136 0.619 . . . 1.0 . . . . . . . . . . . . A . 10 VAL O . . . . . . . . . c19501_2mdq 1 . 11 . 2232 . 1 1 11 ASP C C 4.337 -2.895 -2.460 . . . 1.0 . . . . . . . . . . . . A . 11 ASP C . . . . . . . . . c19501_2mdq 1 . 11 . 2233 . 1 1 11 ASP CA C 3.713 -4.225 -2.097 . . . 1.0 . . . . . . . . . . . . A . 11 ASP CA . . . . . . . . . c19501_2mdq 1 . 11 . 2234 . 1 1 11 ASP CB C 3.259 -5.004 -3.344 . . . 1.0 . . . . . . . . . . . . A . 11 ASP CB . . . . . . . . . c19501_2mdq 1 . 11 . 2235 . 1 1 11 ASP CG C 2.168 -4.339 -4.145 . . . 1.0 . . . . . . . . . . . . A . 11 ASP CG . . . . . . . . . c19501_2mdq 1 . 11 . 2236 . 1 1 11 ASP H H 1.741 -4.015 -1.343 . . . 1.0 . . . . . . . . . . . . A . 11 ASP H . . . . . . . . . c19501_2mdq 1 . 11 . 2237 . 1 1 11 ASP HA H 4.504 -4.783 -1.624 . . . 1.0 . . . . . . . . . . . . A . 11 ASP HA . . . . . . . . . c19501_2mdq 1 . 11 . 2238 . 1 1 11 ASP HB2 H 4.107 -5.131 -4.000 . . . 1.0 . . . . . . . . . . . . A . 11 ASP HB2 . . . . . . . . . c19501_2mdq 1 . 11 . 2239 . 1 1 11 ASP HB3 H 2.916 -5.978 -3.034 . . . 1.0 . . . . . . . . . . . . A . 11 ASP HB3 . . . . . . . . . c19501_2mdq 1 . 11 . 2240 . 1 1 11 ASP N N 2.677 -4.122 -1.064 . . . 1.0 . . . . . . . . . . . . A . 11 ASP N . . . . . . . . . c19501_2mdq 1 . 11 . 2241 . 1 1 11 ASP O O 5.224 -2.829 -3.318 . . . 1.0 . . . . . . . . . . . . A . 11 ASP O . . . . . . . . . c19501_2mdq 1 . 11 . 2242 . 1 1 11 ASP OD1 O 1.005 -4.363 -3.714 . . . 1.0 . . . . . . . . . . . . A . 11 ASP OD1 . . . . . . . . . c19501_2mdq 1 . 11 . 2243 . 1 1 11 ASP OD2 O 2.446 -3.865 -5.255 . . . 1.0 . . . . . . . . . . . . A . 11 ASP OD2 . . . . . . . . . c19501_2mdq 1 . 11 . 2244 . 1 1 12 HIS C C 5.138 -0.144 -0.586 . . . 1.0 . . . . . . . . . . . . A . 12 HIS C . . . . . . . . . c19501_2mdq 1 . 11 . 2245 . 1 1 12 HIS CA C 4.529 -0.567 -1.926 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CA . . . . . . . . . c19501_2mdq 1 . 11 . 2246 . 1 1 12 HIS CB C 3.537 0.478 -2.334 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CB . . . . . . . . . c19501_2mdq 1 . 11 . 2247 . 1 1 12 HIS CD2 C 1.845 0.045 -4.219 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CD2 . . . . . . . . . c19501_2mdq 1 . 11 . 2248 . 1 1 12 HIS CE1 C 2.978 0.822 -5.899 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CE1 . . . . . . . . . c19501_2mdq 1 . 11 . 2249 . 1 1 12 HIS CG C 3.036 0.440 -3.737 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CG . . . . . . . . . c19501_2mdq 1 . 11 . 2250 . 1 1 12 HIS H H 3.153 -1.918 -1.189 . . . 1.0 . . . . . . . . . . . . A . 12 HIS H . . . . . . . . . c19501_2mdq 1 . 11 . 2251 . 1 1 12 HIS HA H 5.300 -0.630 -2.676 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HA . . . . . . . . . c19501_2mdq 1 . 11 . 2252 . 1 1 12 HIS HB2 H 2.697 0.382 -1.670 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HB2 . . . . . . . . . c19501_2mdq 1 . 11 . 2253 . 1 1 12 HIS HB3 H 4.035 1.406 -2.141 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HB3 . . . . . . . . . c19501_2mdq 1 . 11 . 2254 . 1 1 12 HIS HD1 H 4.670 1.253 -4.805 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HD1 . . . . . . . . . c19501_2mdq 1 . 11 . 2255 . 1 1 12 HIS HD2 H 1.050 -0.405 -3.641 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HD2 . . . . . . . . . c19501_2mdq 1 . 11 . 2256 . 1 1 12 HIS HE1 H 3.280 1.129 -6.890 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HE1 . . . . . . . . . c19501_2mdq 1 . 11 . 2257 . 1 1 12 HIS N N 3.914 -1.851 -1.798 . . . 1.0 . . . . . . . . . . . . A . 12 HIS N . . . . . . . . . c19501_2mdq 1 . 11 . 2258 . 1 1 12 HIS ND1 N 3.745 0.921 -4.818 . . . 1.0 . . . . . . . . . . . . A . 12 HIS ND1 . . . . . . . . . c19501_2mdq 1 . 11 . 2259 . 1 1 12 HIS NE2 N 1.807 0.293 -5.596 . . . 1.0 . . . . . . . . . . . . A . 12 HIS NE2 . . . . . . . . . c19501_2mdq 1 . 11 . 2260 . 1 1 12 HIS O O 4.611 0.762 0.082 . . . 1.0 . . . . . . . . . . . . A . 12 HIS O . . . . . . . . . c19501_2mdq 1 . 11 . 2261 . 1 1 13 PRO C C 7.361 0.868 1.387 . . . 1.0 . . . . . . . . . . . . A . 13 PRO C . . . . . . . . . c19501_2mdq 1 . 11 . 2262 . 1 1 13 PRO CA C 6.852 -0.545 1.155 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CA . . . . . . . . . c19501_2mdq 1 . 11 . 2263 . 1 1 13 PRO CB C 7.991 -1.574 1.222 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CB . . . . . . . . . c19501_2mdq 1 . 11 . 2264 . 1 1 13 PRO CD C 7.067 -1.710 -0.951 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CD . . . . . . . . . c19501_2mdq 1 . 11 . 2265 . 1 1 13 PRO CG C 7.708 -2.527 0.117 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CG . . . . . . . . . c19501_2mdq 1 . 11 . 2266 . 1 1 13 PRO HA H 6.133 -0.751 1.924 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HA . . . . . . . . . c19501_2mdq 1 . 11 . 2267 . 1 1 13 PRO HB2 H 8.937 -1.074 1.076 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HB2 . . . . . . . . . c19501_2mdq 1 . 11 . 2268 . 1 1 13 PRO HB3 H 7.981 -2.072 2.180 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HB3 . . . . . . . . . c19501_2mdq 1 . 11 . 2269 . 1 1 13 PRO HD2 H 7.809 -1.194 -1.543 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HD2 . . . . . . . . . c19501_2mdq 1 . 11 . 2270 . 1 1 13 PRO HD3 H 6.435 -2.323 -1.577 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HD3 . . . . . . . . . c19501_2mdq 1 . 11 . 2271 . 1 1 13 PRO HG2 H 8.626 -2.970 -0.241 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HG2 . . . . . . . . . c19501_2mdq 1 . 11 . 2272 . 1 1 13 PRO HG3 H 7.028 -3.295 0.456 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HG3 . . . . . . . . . c19501_2mdq 1 . 11 . 2273 . 1 1 13 PRO N N 6.260 -0.761 -0.173 . . . 1.0 . . . . . . . . . . . . A . 13 PRO N . . . . . . . . . c19501_2mdq 1 . 11 . 2274 . 1 1 13 PRO O O 7.367 1.364 2.510 . . . 1.0 . . . . . . . . . . . . A . 13 PRO O . . . . . . . . . c19501_2mdq 1 . 11 . 2275 . 1 1 14 GLU C C 7.175 3.868 0.165 . . . 1.0 . . . . . . . . . . . . A . 14 GLU C . . . . . . . . . c19501_2mdq 1 . 11 . 2276 . 1 1 14 GLU CA C 8.258 2.817 0.409 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CA . . . . . . . . . c19501_2mdq 1 . 11 . 2277 . 1 1 14 GLU CB C 9.410 2.981 -0.591 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CB . . . . . . . . . c19501_2mdq 1 . 11 . 2278 . 1 1 14 GLU CD C 8.618 1.495 -2.501 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CD . . . . . . . . . c19501_2mdq 1 . 11 . 2279 . 1 1 14 GLU CG C 9.060 2.866 -2.083 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CG . . . . . . . . . c19501_2mdq 1 . 11 . 2280 . 1 1 14 GLU H H 7.645 1.107 -0.545 . . . 1.0 . . . . . . . . . . . . A . 14 GLU H . . . . . . . . . c19501_2mdq 1 . 11 . 2281 . 1 1 14 GLU HA H 8.657 2.957 1.403 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HA . . . . . . . . . c19501_2mdq 1 . 11 . 2282 . 1 1 14 GLU HB2 H 9.769 3.977 -0.434 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HB2 . . . . . . . . . c19501_2mdq 1 . 11 . 2283 . 1 1 14 GLU HB3 H 10.193 2.275 -0.356 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HB3 . . . . . . . . . c19501_2mdq 1 . 11 . 2284 . 1 1 14 GLU HG2 H 8.257 3.555 -2.301 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HG2 . . . . . . . . . c19501_2mdq 1 . 11 . 2285 . 1 1 14 GLU HG3 H 9.927 3.146 -2.664 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HG3 . . . . . . . . . c19501_2mdq 1 . 11 . 2286 . 1 1 14 GLU N N 7.728 1.514 0.341 . . . 1.0 . . . . . . . . . . . . A . 14 GLU N . . . . . . . . . c19501_2mdq 1 . 11 . 2287 . 1 1 14 GLU O O 7.305 5.016 0.589 . . . 1.0 . . . . . . . . . . . . A . 14 GLU O . . . . . . . . . c19501_2mdq 1 . 11 . 2288 . 1 1 14 GLU OE1 O 7.425 1.192 -2.395 . . . 1.0 . . . . . . . . . . . . A . 14 GLU OE1 . . . . . . . . . c19501_2mdq 1 . 11 . 2289 . 1 1 14 GLU OE2 O 9.467 0.689 -2.936 . . . 1.0 . . . . . . . . . . . . A . 14 GLU OE2 . . . . . . . . . c19501_2mdq 1 . 11 . 2290 . 1 1 15 ILE C C 4.057 4.469 0.326 . . . 1.0 . . . . . . . . . . . . A . 15 ILE C . . . . . . . . . c19501_2mdq 1 . 11 . 2291 . 1 1 15 ILE CA C 5.049 4.439 -0.809 . . . 1.0 . . . . . . . . . . . . A . 15 ILE CA . . . . . . . . . c19501_2mdq 1 . 11 . 2292 . 1 1 15 ILE CB C 4.299 4.086 -2.136 . . . 1.0 . . . . . . . . . . . . A . 15 ILE CB . . . . . . . . . c19501_2mdq 1 . 11 . 2293 . 1 1 15 ILE CD1 C 6.151 5.044 -3.653 . . . 1.0 . . . . . . . . . . . . A . 15 ILE CD1 . . . . . . . . . c19501_2mdq 1 . 11 . 2294 . 1 1 15 ILE CG1 C 5.282 3.849 -3.301 . . . 1.0 . . . . . . . . . . . . A . 15 ILE CG1 . . . . . . . . . c19501_2mdq 1 . 11 . 2295 . 1 1 15 ILE CG2 C 3.283 5.167 -2.504 . . . 1.0 . . . . . . . . . . . . A . 15 ILE CG2 . . . . . . . . . c19501_2mdq 1 . 11 . 2296 . 1 1 15 ILE H H 6.000 2.527 -0.732 . . . 1.0 . . . . . . . . . . . . A . 15 ILE H . . . . . . . . . c19501_2mdq 1 . 11 . 2297 . 1 1 15 ILE HA H 5.501 5.413 -0.901 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HA . . . . . . . . . c19501_2mdq 1 . 11 . 2298 . 1 1 15 ILE HB H 3.727 3.190 -1.966 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HB . . . . . . . . . c19501_2mdq 1 . 11 . 2299 . 1 1 15 ILE HD11 H 6.799 4.784 -4.476 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HD11 . . . . . . . . . c19501_2mdq 1 . 11 . 2300 . 1 1 15 ILE HD12 H 6.745 5.317 -2.794 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HD12 . . . . . . . . . c19501_2mdq 1 . 11 . 2301 . 1 1 15 ILE HD13 H 5.518 5.872 -3.935 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HD13 . . . . . . . . . c19501_2mdq 1 . 11 . 2302 . 1 1 15 ILE HG12 H 5.943 3.035 -3.042 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HG12 . . . . . . . . . c19501_2mdq 1 . 11 . 2303 . 1 1 15 ILE HG13 H 4.720 3.575 -4.182 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HG13 . . . . . . . . . c19501_2mdq 1 . 11 . 2304 . 1 1 15 ILE HG21 H 2.773 4.888 -3.413 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HG21 . . . . . . . . . c19501_2mdq 1 . 11 . 2305 . 1 1 15 ILE HG22 H 3.797 6.105 -2.656 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HG22 . . . . . . . . . c19501_2mdq 1 . 11 . 2306 . 1 1 15 ILE HG23 H 2.565 5.276 -1.704 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HG23 . . . . . . . . . c19501_2mdq 1 . 11 . 2307 . 1 1 15 ILE N N 6.095 3.475 -0.489 . . . 1.0 . . . . . . . . . . . . A . 15 ILE N . . . . . . . . . c19501_2mdq 1 . 11 . 2308 . 1 1 15 ILE O O 3.657 5.528 0.815 . . . 1.0 . . . . . . . . . . . . A . 15 ILE O . . . . . . . . . c19501_2mdq 1 . 11 . 2309 . 1 1 16 CYS C C 3.396 2.475 3.001 . . . 1.0 . . . . . . . . . . . . A . 16 CYS C . . . . . . . . . c19501_2mdq 1 . 11 . 2310 . 1 1 16 CYS CA C 2.751 3.130 1.787 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CA . . . . . . . . . c19501_2mdq 1 . 11 . 2311 . 1 1 16 CYS CB C 1.611 2.311 1.255 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CB . . . . . . . . . c19501_2mdq 1 . 11 . 2312 . 1 1 16 CYS H H 4.115 2.505 0.373 . . . 1.0 . . . . . . . . . . . . A . 16 CYS H . . . . . . . . . c19501_2mdq 1 . 11 . 2313 . 1 1 16 CYS HA H 2.370 4.097 2.062 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HA . . . . . . . . . c19501_2mdq 1 . 11 . 2314 . 1 1 16 CYS HB2 H 2.047 1.368 0.987 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB2 . . . . . . . . . c19501_2mdq 1 . 11 . 2315 . 1 1 16 CYS HB3 H 0.872 2.168 2.028 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB3 . . . . . . . . . c19501_2mdq 1 . 11 . 2316 . 1 1 16 CYS N N 3.706 3.306 0.761 . . . 1.0 . . . . . . . . . . . . A . 16 CYS N . . . . . . . . . c19501_2mdq 1 . 11 . 2317 . 1 1 16 CYS O O 3.716 3.151 3.984 . . . 1.0 . . . . . . . . . . . . A . 16 CYS O . . . . . . . . . c19501_2mdq 1 . 11 . 2318 . 1 1 16 CYS SG S 0.802 3.012 -0.228 . . . 1.0 . . . . . . . . . . . . A . 16 CYS SG . . . . . . . . . c19501_2mdq 1 . 11 . 2319 . 1 1 17 NH2 HN1 H 3.340 0.670 2.146 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 HN1 . . . . . . . . . c19501_2mdq 1 . 11 . 2320 . 1 1 17 NH2 HN2 H 4.039 0.738 3.718 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 HN2 . . . . . . . . . c19501_2mdq 1 . 11 . 2321 . 1 1 17 NH2 N N 3.611 1.168 2.947 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 N . . . . . . . . . c19501_2mdq 1 . 12 . 2322 . 1 1 1 GLY C C -4.213 4.198 -3.322 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c19501_2mdq 1 . 12 . 2323 . 1 1 1 GLY CA C -4.406 5.449 -4.120 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c19501_2mdq 1 . 12 . 2324 . 1 1 1 GLY H1 H -6.479 5.349 -4.267 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c19501_2mdq 1 . 12 . 2325 . 1 1 1 GLY H2 H -5.840 6.924 -4.369 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H2 . . . . . . . . . c19501_2mdq 1 . 12 . 2326 . 1 1 1 GLY H3 H -5.902 6.117 -2.899 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H3 . . . . . . . . . c19501_2mdq 1 . 12 . 2327 . 1 1 1 GLY HA2 H -4.268 5.220 -5.166 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c19501_2mdq 1 . 12 . 2328 . 1 1 1 GLY HA3 H -3.679 6.186 -3.819 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c19501_2mdq 1 . 12 . 2329 . 1 1 1 GLY N N -5.743 5.994 -3.918 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c19501_2mdq 1 . 12 . 2330 . 1 1 1 GLY O O -4.994 3.920 -2.410 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c19501_2mdq 1 . 12 . 2331 . 1 1 2 CYS C C -2.582 2.280 -1.514 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . c19501_2mdq 1 . 12 . 2332 . 1 1 2 CYS CA C -2.884 2.209 -2.982 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . c19501_2mdq 1 . 12 . 2333 . 1 1 2 CYS CB C -1.819 1.476 -3.701 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . c19501_2mdq 1 . 12 . 2334 . 1 1 2 CYS H H -2.493 3.773 -4.268 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . c19501_2mdq 1 . 12 . 2335 . 1 1 2 CYS HA H -3.788 1.650 -3.126 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . c19501_2mdq 1 . 12 . 2336 . 1 1 2 CYS HB2 H -1.156 2.266 -4.005 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . c19501_2mdq 1 . 12 . 2337 . 1 1 2 CYS HB3 H -1.327 0.821 -3.009 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . c19501_2mdq 1 . 12 . 2338 . 1 1 2 CYS N N -3.154 3.466 -3.609 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . c19501_2mdq 1 . 12 . 2339 . 1 1 2 CYS O O -2.657 1.289 -0.829 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . c19501_2mdq 1 . 12 . 2340 . 1 1 2 CYS SG S -2.406 0.594 -5.187 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . c19501_2mdq 1 . 12 . 2341 . 1 1 3 CYS C C -3.208 3.355 1.244 . . . 1.0 . . . . . . . . . . . . A . 3 CYS C . . . . . . . . . c19501_2mdq 1 . 12 . 2342 . 1 1 3 CYS CA C -1.999 3.627 0.363 . . . 1.0 . . . . . . . . . . . . A . 3 CYS CA . . . . . . . . . c19501_2mdq 1 . 12 . 2343 . 1 1 3 CYS CB C -1.463 4.998 0.609 . . . 1.0 . . . . . . . . . . . . A . 3 CYS CB . . . . . . . . . c19501_2mdq 1 . 12 . 2344 . 1 1 3 CYS H H -2.147 4.169 -1.667 . . . 1.0 . . . . . . . . . . . . A . 3 CYS H . . . . . . . . . c19501_2mdq 1 . 12 . 2345 . 1 1 3 CYS HA H -1.249 2.901 0.608 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HA . . . . . . . . . c19501_2mdq 1 . 12 . 2346 . 1 1 3 CYS HB2 H -2.079 5.679 0.040 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HB2 . . . . . . . . . c19501_2mdq 1 . 12 . 2347 . 1 1 3 CYS HB3 H -1.606 5.199 1.651 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HB3 . . . . . . . . . c19501_2mdq 1 . 12 . 2348 . 1 1 3 CYS N N -2.263 3.427 -1.040 . . . 1.0 . . . . . . . . . . . . A . 3 CYS N . . . . . . . . . c19501_2mdq 1 . 12 . 2349 . 1 1 3 CYS O O -3.083 2.935 2.386 . . . 1.0 . . . . . . . . . . . . A . 3 CYS O . . . . . . . . . c19501_2mdq 1 . 12 . 2350 . 1 1 3 CYS SG S 0.264 5.259 0.105 . . . 1.0 . . . . . . . . . . . . A . 3 CYS SG . . . . . . . . . c19501_2mdq 1 . 12 . 2351 . 1 1 4 SER C C -6.183 2.007 0.864 . . . 1.0 . . . . . . . . . . . . A . 4 SER C . . . . . . . . . c19501_2mdq 1 . 12 . 2352 . 1 1 4 SER CA C -5.594 3.322 1.389 . . . 1.0 . . . . . . . . . . . . A . 4 SER CA . . . . . . . . . c19501_2mdq 1 . 12 . 2353 . 1 1 4 SER CB C -6.550 4.496 1.201 . . . 1.0 . . . . . . . . . . . . A . 4 SER CB . . . . . . . . . c19501_2mdq 1 . 12 . 2354 . 1 1 4 SER H H -4.332 4.035 -0.166 . . . 1.0 . . . . . . . . . . . . A . 4 SER H . . . . . . . . . c19501_2mdq 1 . 12 . 2355 . 1 1 4 SER HA H -5.378 3.205 2.441 . . . 1.0 . . . . . . . . . . . . A . 4 SER HA . . . . . . . . . c19501_2mdq 1 . 12 . 2356 . 1 1 4 SER HB2 H -7.557 4.180 1.431 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB2 . . . . . . . . . c19501_2mdq 1 . 12 . 2357 . 1 1 4 SER HB3 H -6.265 5.304 1.859 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB3 . . . . . . . . . c19501_2mdq 1 . 12 . 2358 . 1 1 4 SER HG H -7.128 4.462 -0.687 . . . 1.0 . . . . . . . . . . . . A . 4 SER HG . . . . . . . . . c19501_2mdq 1 . 12 . 2359 . 1 1 4 SER N N -4.344 3.612 0.716 . . . 1.0 . . . . . . . . . . . . A . 4 SER N . . . . . . . . . c19501_2mdq 1 . 12 . 2360 . 1 1 4 SER O O -7.365 1.711 1.035 . . . 1.0 . . . . . . . . . . . . A . 4 SER O . . . . . . . . . c19501_2mdq 1 . 12 . 2361 . 1 1 4 SER OG O -6.508 4.961 -0.138 . . . 1.0 . . . . . . . . . . . . A . 4 SER OG . . . . . . . . . c19501_2mdq 1 . 12 . 2362 . 1 1 5 HIS C C -4.758 -1.101 0.339 . . . 1.0 . . . . . . . . . . . . A . 5 HIS C . . . . . . . . . c19501_2mdq 1 . 12 . 2363 . 1 1 5 HIS CA C -5.666 -0.069 -0.313 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CA . . . . . . . . . c19501_2mdq 1 . 12 . 2364 . 1 1 5 HIS CB C -5.391 -0.084 -1.824 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CB . . . . . . . . . c19501_2mdq 1 . 12 . 2365 . 1 1 5 HIS CD2 C -7.459 1.383 -2.414 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CD2 . . . . . . . . . c19501_2mdq 1 . 12 . 2366 . 1 1 5 HIS CE1 C -6.975 1.851 -4.475 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CE1 . . . . . . . . . c19501_2mdq 1 . 12 . 2367 . 1 1 5 HIS CG C -6.276 0.779 -2.687 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CG . . . . . . . . . c19501_2mdq 1 . 12 . 2368 . 1 1 5 HIS H H -4.394 1.512 0.165 . . . 1.0 . . . . . . . . . . . . A . 5 HIS H . . . . . . . . . c19501_2mdq 1 . 12 . 2369 . 1 1 5 HIS HA H -6.705 -0.293 -0.126 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HA . . . . . . . . . c19501_2mdq 1 . 12 . 2370 . 1 1 5 HIS HB2 H -4.389 0.321 -1.891 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB2 . . . . . . . . . c19501_2mdq 1 . 12 . 2371 . 1 1 5 HIS HB3 H -5.382 -1.095 -2.201 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB3 . . . . . . . . . c19501_2mdq 1 . 12 . 2372 . 1 1 5 HIS HD1 H -5.233 0.778 -4.551 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD1 . . . . . . . . . c19501_2mdq 1 . 12 . 2373 . 1 1 5 HIS HD2 H -7.985 1.347 -1.470 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD2 . . . . . . . . . c19501_2mdq 1 . 12 . 2374 . 1 1 5 HIS HE1 H -7.014 2.243 -5.482 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HE1 . . . . . . . . . c19501_2mdq 1 . 12 . 2375 . 1 1 5 HIS N N -5.330 1.227 0.243 . . . 1.0 . . . . . . . . . . . . A . 5 HIS N . . . . . . . . . c19501_2mdq 1 . 12 . 2376 . 1 1 5 HIS ND1 N -5.993 1.089 -4.008 . . . 1.0 . . . . . . . . . . . . A . 5 HIS ND1 . . . . . . . . . c19501_2mdq 1 . 12 . 2377 . 1 1 5 HIS NE2 N -7.896 2.060 -3.550 . . . 1.0 . . . . . . . . . . . . A . 5 HIS NE2 . . . . . . . . . c19501_2mdq 1 . 12 . 2378 . 1 1 5 HIS O O -3.652 -1.299 -0.124 . . . 1.0 . . . . . . . . . . . . A . 5 HIS O . . . . . . . . . c19501_2mdq 1 . 12 . 2379 . 1 1 6 PRO C C -3.613 -3.740 1.377 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . c19501_2mdq 1 . 12 . 2380 . 1 1 6 PRO CA C -4.354 -2.682 2.214 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . c19501_2mdq 1 . 12 . 2381 . 1 1 6 PRO CB C -5.352 -3.347 3.155 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . c19501_2mdq 1 . 12 . 2382 . 1 1 6 PRO CD C -6.563 -1.660 1.977 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . c19501_2mdq 1 . 12 . 2383 . 1 1 6 PRO CG C -6.442 -2.344 3.308 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . c19501_2mdq 1 . 12 . 2384 . 1 1 6 PRO HA H -3.625 -2.131 2.789 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . c19501_2mdq 1 . 12 . 2385 . 1 1 6 PRO HB2 H -5.711 -4.262 2.706 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB2 . . . . . . . . . c19501_2mdq 1 . 12 . 2386 . 1 1 6 PRO HB3 H -4.880 -3.567 4.100 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . c19501_2mdq 1 . 12 . 2387 . 1 1 6 PRO HD2 H -7.273 -2.174 1.347 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD2 . . . . . . . . . c19501_2mdq 1 . 12 . 2388 . 1 1 6 PRO HD3 H -6.851 -0.627 2.108 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . c19501_2mdq 1 . 12 . 2389 . 1 1 6 PRO HG2 H -7.369 -2.840 3.563 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG2 . . . . . . . . . c19501_2mdq 1 . 12 . 2390 . 1 1 6 PRO HG3 H -6.179 -1.629 4.073 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . c19501_2mdq 1 . 12 . 2391 . 1 1 6 PRO N N -5.198 -1.753 1.422 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . c19501_2mdq 1 . 12 . 2392 . 1 1 6 PRO O O -2.388 -3.897 1.494 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . c19501_2mdq 1 . 12 . 2393 . 1 1 7 ALA C C -2.819 -4.937 -1.371 . . . 1.0 . . . . . . . . . . . . A . 7 ALA C . . . . . . . . . c19501_2mdq 1 . 12 . 2394 . 1 1 7 ALA CA C -3.770 -5.472 -0.316 . . . 1.0 . . . . . . . . . . . . A . 7 ALA CA . . . . . . . . . c19501_2mdq 1 . 12 . 2395 . 1 1 7 ALA CB C -4.863 -6.320 -0.952 . . . 1.0 . . . . . . . . . . . . A . 7 ALA CB . . . . . . . . . c19501_2mdq 1 . 12 . 2396 . 1 1 7 ALA H H -5.279 -4.159 0.375 . . . 1.0 . . . . . . . . . . . . A . 7 ALA H . . . . . . . . . c19501_2mdq 1 . 12 . 2397 . 1 1 7 ALA HA H -3.197 -6.103 0.346 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HA . . . . . . . . . c19501_2mdq 1 . 12 . 2398 . 1 1 7 ALA HB1 H -5.527 -6.687 -0.184 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB1 . . . . . . . . . c19501_2mdq 1 . 12 . 2399 . 1 1 7 ALA HB2 H -4.413 -7.156 -1.467 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB2 . . . . . . . . . c19501_2mdq 1 . 12 . 2400 . 1 1 7 ALA HB3 H -5.422 -5.726 -1.660 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB3 . . . . . . . . . c19501_2mdq 1 . 12 . 2401 . 1 1 7 ALA N N -4.335 -4.403 0.495 . . . 1.0 . . . . . . . . . . . . A . 7 ALA N . . . . . . . . . c19501_2mdq 1 . 12 . 2402 . 1 1 7 ALA O O -1.985 -5.670 -1.888 . . . 1.0 . . . . . . . . . . . . A . 7 ALA O . . . . . . . . . c19501_2mdq 1 . 12 . 2403 . 1 1 8 CYS C C -0.870 -2.443 -1.993 . . . 1.0 . . . . . . . . . . . . A . 8 CYS C . . . . . . . . . c19501_2mdq 1 . 12 . 2404 . 1 1 8 CYS CA C -2.042 -3.086 -2.677 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CA . . . . . . . . . c19501_2mdq 1 . 12 . 2405 . 1 1 8 CYS CB C -2.761 -1.957 -3.413 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CB . . . . . . . . . c19501_2mdq 1 . 12 . 2406 . 1 1 8 CYS H H -3.624 -3.124 -1.255 . . . 1.0 . . . . . . . . . . . . A . 8 CYS H . . . . . . . . . c19501_2mdq 1 . 12 . 2407 . 1 1 8 CYS HA H -1.730 -3.826 -3.398 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HA . . . . . . . . . c19501_2mdq 1 . 12 . 2408 . 1 1 8 CYS HB2 H -3.772 -2.244 -3.661 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB2 . . . . . . . . . c19501_2mdq 1 . 12 . 2409 . 1 1 8 CYS HB3 H -2.778 -1.149 -2.687 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB3 . . . . . . . . . c19501_2mdq 1 . 12 . 2410 . 1 1 8 CYS N N -2.927 -3.667 -1.686 . . . 1.0 . . . . . . . . . . . . A . 8 CYS N . . . . . . . . . c19501_2mdq 1 . 12 . 2411 . 1 1 8 CYS O O 0.199 -2.334 -2.544 . . . 1.0 . . . . . . . . . . . . A . 8 CYS O . . . . . . . . . c19501_2mdq 1 . 12 . 2412 . 1 1 8 CYS SG S -1.870 -1.359 -4.914 . . . 1.0 . . . . . . . . . . . . A . 8 CYS SG . . . . . . . . . c19501_2mdq 1 . 12 . 2413 . 1 1 9 ASN C C 0.996 -2.067 0.519 . . . 1.0 . . . . . . . . . . . . A . 9 ASN C . . . . . . . . . c19501_2mdq 1 . 12 . 2414 . 1 1 9 ASN CA C -0.130 -1.268 -0.053 . . . 1.0 . . . . . . . . . . . . A . 9 ASN CA . . . . . . . . . c19501_2mdq 1 . 12 . 2415 . 1 1 9 ASN CB C -0.892 -0.629 1.044 . . . 1.0 . . . . . . . . . . . . A . 9 ASN CB . . . . . . . . . c19501_2mdq 1 . 12 . 2416 . 1 1 9 ASN CG C -0.259 0.595 1.600 . . . 1.0 . . . . . . . . . . . . A . 9 ASN CG . . . . . . . . . c19501_2mdq 1 . 12 . 2417 . 1 1 9 ASN H H -1.861 -2.433 -0.305 . . . 1.0 . . . . . . . . . . . . A . 9 ASN H . . . . . . . . . c19501_2mdq 1 . 12 . 2418 . 1 1 9 ASN HA H 0.254 -0.496 -0.706 . . . 1.0 . . . . . . . . . . . . A . 9 ASN HA . . . . . . . . . c19501_2mdq 1 . 12 . 2419 . 1 1 9 ASN HB2 H -1.918 -0.466 0.757 . . . 1.0 . . . . . . . . . . . . A . 9 ASN HB2 . . . . . . . . . c19501_2mdq 1 . 12 . 2420 . 1 1 9 ASN HB3 H -0.908 -1.368 1.829 . . . 1.0 . . . . . . . . . . . . A . 9 ASN HB3 . . . . . . . . . c19501_2mdq 1 . 12 . 2421 . 1 1 9 ASN HD21 H -1.290 0.284 3.177 . . . 1.0 . . . . . . . . . . . . A . 9 ASN HD21 . . . . . . . . . c19501_2mdq 1 . 12 . 2422 . 1 1 9 ASN HD22 H -0.237 1.671 3.217 . . . 1.0 . . . . . . . . . . . . A . 9 ASN HD22 . . . . . . . . . c19501_2mdq 1 . 12 . 2423 . 1 1 9 ASN N N -1.055 -2.118 -0.769 . . . 1.0 . . . . . . . . . . . . A . 9 ASN N . . . . . . . . . c19501_2mdq 1 . 12 . 2424 . 1 1 9 ASN ND2 N -0.627 0.891 2.784 . . . 1.0 . . . . . . . . . . . . A . 9 ASN ND2 . . . . . . . . . c19501_2mdq 1 . 12 . 2425 . 1 1 9 ASN O O 2.106 -1.578 0.665 . . . 1.0 . . . . . . . . . . . . A . 9 ASN O . . . . . . . . . c19501_2mdq 1 . 12 . 2426 . 1 1 9 ASN OD1 O 0.486 1.308 0.934 . . . 1.0 . . . . . . . . . . . . A . 9 ASN OD1 . . . . . . . . . c19501_2mdq 1 . 12 . 2427 . 1 1 10 VAL C C 2.915 -4.363 0.418 . . . 1.0 . . . . . . . . . . . . A . 10 VAL C . . . . . . . . . c19501_2mdq 1 . 12 . 2428 . 1 1 10 VAL CA C 1.688 -4.235 1.356 . . . 1.0 . . . . . . . . . . . . A . 10 VAL CA . . . . . . . . . c19501_2mdq 1 . 12 . 2429 . 1 1 10 VAL CB C 1.059 -5.635 1.669 . . . 1.0 . . . . . . . . . . . . A . 10 VAL CB . . . . . . . . . c19501_2mdq 1 . 12 . 2430 . 1 1 10 VAL CG1 C 0.437 -6.268 0.434 . . . 1.0 . . . . . . . . . . . . A . 10 VAL CG1 . . . . . . . . . c19501_2mdq 1 . 12 . 2431 . 1 1 10 VAL CG2 C 2.080 -6.577 2.295 . . . 1.0 . . . . . . . . . . . . A . 10 VAL CG2 . . . . . . . . . c19501_2mdq 1 . 12 . 2432 . 1 1 10 VAL H H -0.241 -3.569 0.715 . . . 1.0 . . . . . . . . . . . . A . 10 VAL H . . . . . . . . . c19501_2mdq 1 . 12 . 2433 . 1 1 10 VAL HA H 2.039 -3.804 2.283 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HA . . . . . . . . . c19501_2mdq 1 . 12 . 2434 . 1 1 10 VAL HB H 0.264 -5.479 2.382 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HB . . . . . . . . . c19501_2mdq 1 . 12 . 2435 . 1 1 10 VAL HG11 H 1.199 -6.399 -0.321 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG11 . . . . . . . . . c19501_2mdq 1 . 12 . 2436 . 1 1 10 VAL HG12 H -0.342 -5.623 0.053 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG12 . . . . . . . . . c19501_2mdq 1 . 12 . 2437 . 1 1 10 VAL HG13 H 0.016 -7.228 0.693 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG13 . . . . . . . . . c19501_2mdq 1 . 12 . 2438 . 1 1 10 VAL HG21 H 2.897 -6.722 1.604 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG21 . . . . . . . . . c19501_2mdq 1 . 12 . 2439 . 1 1 10 VAL HG22 H 1.615 -7.528 2.506 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG22 . . . . . . . . . c19501_2mdq 1 . 12 . 2440 . 1 1 10 VAL HG23 H 2.460 -6.143 3.207 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG23 . . . . . . . . . c19501_2mdq 1 . 12 . 2441 . 1 1 10 VAL N N 0.699 -3.306 0.824 . . . 1.0 . . . . . . . . . . . . A . 10 VAL N . . . . . . . . . c19501_2mdq 1 . 12 . 2442 . 1 1 10 VAL O O 4.048 -4.534 0.877 . . . 1.0 . . . . . . . . . . . . A . 10 VAL O . . . . . . . . . c19501_2mdq 1 . 12 . 2443 . 1 1 11 ASP C C 4.295 -2.931 -2.249 . . . 1.0 . . . . . . . . . . . . A . 11 ASP C . . . . . . . . . c19501_2mdq 1 . 12 . 2444 . 1 1 11 ASP CA C 3.784 -4.312 -1.848 . . . 1.0 . . . . . . . . . . . . A . 11 ASP CA . . . . . . . . . c19501_2mdq 1 . 12 . 2445 . 1 1 11 ASP CB C 3.426 -5.166 -3.091 . . . 1.0 . . . . . . . . . . . . A . 11 ASP CB . . . . . . . . . c19501_2mdq 1 . 12 . 2446 . 1 1 11 ASP CG C 2.321 -4.605 -3.959 . . . 1.0 . . . . . . . . . . . . A . 11 ASP CG . . . . . . . . . c19501_2mdq 1 . 12 . 2447 . 1 1 11 ASP H H 1.784 -4.038 -1.210 . . . 1.0 . . . . . . . . . . . . A . 11 ASP H . . . . . . . . . c19501_2mdq 1 . 12 . 2448 . 1 1 11 ASP HA H 4.591 -4.798 -1.319 . . . 1.0 . . . . . . . . . . . . A . 11 ASP HA . . . . . . . . . c19501_2mdq 1 . 12 . 2449 . 1 1 11 ASP HB2 H 4.306 -5.266 -3.709 . . . 1.0 . . . . . . . . . . . . A . 11 ASP HB2 . . . . . . . . . c19501_2mdq 1 . 12 . 2450 . 1 1 11 ASP HB3 H 3.131 -6.150 -2.755 . . . 1.0 . . . . . . . . . . . . A . 11 ASP HB3 . . . . . . . . . c19501_2mdq 1 . 12 . 2451 . 1 1 11 ASP N N 2.692 -4.221 -0.887 . . . 1.0 . . . . . . . . . . . . A . 11 ASP N . . . . . . . . . c19501_2mdq 1 . 12 . 2452 . 1 1 11 ASP O O 5.085 -2.795 -3.191 . . . 1.0 . . . . . . . . . . . . A . 11 ASP O . . . . . . . . . c19501_2mdq 1 . 12 . 2453 . 1 1 11 ASP OD1 O 1.147 -4.951 -3.731 . . . 1.0 . . . . . . . . . . . . A . 11 ASP OD1 . . . . . . . . . c19501_2mdq 1 . 12 . 2454 . 1 1 11 ASP OD2 O 2.610 -3.863 -4.921 . . . 1.0 . . . . . . . . . . . . A . 11 ASP OD2 . . . . . . . . . c19501_2mdq 1 . 12 . 2455 . 1 1 12 HIS C C 5.115 -0.090 -0.430 . . . 1.0 . . . . . . . . . . . . A . 12 HIS C . . . . . . . . . c19501_2mdq 1 . 12 . 2456 . 1 1 12 HIS CA C 4.369 -0.566 -1.695 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CA . . . . . . . . . c19501_2mdq 1 . 12 . 2457 . 1 1 12 HIS CB C 3.208 0.368 -1.974 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CB . . . . . . . . . c19501_2mdq 1 . 12 . 2458 . 1 1 12 HIS CD2 C 3.027 0.974 -4.453 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CD2 . . . . . . . . . c19501_2mdq 1 . 12 . 2459 . 1 1 12 HIS CE1 C 1.326 -0.204 -5.020 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CE1 . . . . . . . . . c19501_2mdq 1 . 12 . 2460 . 1 1 12 HIS CG C 2.647 0.316 -3.358 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CG . . . . . . . . . c19501_2mdq 1 . 12 . 2461 . 1 1 12 HIS H H 3.225 -2.014 -0.788 . . . 1.0 . . . . . . . . . . . . A . 12 HIS H . . . . . . . . . c19501_2mdq 1 . 12 . 2462 . 1 1 12 HIS HA H 5.026 -0.568 -2.548 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HA . . . . . . . . . c19501_2mdq 1 . 12 . 2463 . 1 1 12 HIS HB2 H 2.425 0.082 -1.294 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HB2 . . . . . . . . . c19501_2mdq 1 . 12 . 2464 . 1 1 12 HIS HB3 H 3.523 1.368 -1.743 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HB3 . . . . . . . . . c19501_2mdq 1 . 12 . 2465 . 1 1 12 HIS HD1 H 1.063 -1.067 -3.171 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HD1 . . . . . . . . . c19501_2mdq 1 . 12 . 2466 . 1 1 12 HIS HD2 H 3.858 1.660 -4.520 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HD2 . . . . . . . . . c19501_2mdq 1 . 12 . 2467 . 1 1 12 HIS HE1 H 0.518 -0.653 -5.581 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HE1 . . . . . . . . . c19501_2mdq 1 . 12 . 2468 . 1 1 12 HIS N N 3.883 -1.909 -1.509 . . . 1.0 . . . . . . . . . . . . A . 12 HIS N . . . . . . . . . c19501_2mdq 1 . 12 . 2469 . 1 1 12 HIS ND1 N 1.567 -0.432 -3.735 . . . 1.0 . . . . . . . . . . . . A . 12 HIS ND1 . . . . . . . . . c19501_2mdq 1 . 12 . 2470 . 1 1 12 HIS NE2 N 2.189 0.642 -5.512 . . . 1.0 . . . . . . . . . . . . A . 12 HIS NE2 . . . . . . . . . c19501_2mdq 1 . 12 . 2471 . 1 1 12 HIS O O 4.639 0.806 0.287 . . . 1.0 . . . . . . . . . . . . A . 12 HIS O . . . . . . . . . c19501_2mdq 1 . 12 . 2472 . 1 1 13 PRO C C 7.628 1.016 1.172 . . . 1.0 . . . . . . . . . . . . A . 13 PRO C . . . . . . . . . c19501_2mdq 1 . 12 . 2473 . 1 1 13 PRO CA C 7.052 -0.374 1.079 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CA . . . . . . . . . c19501_2mdq 1 . 12 . 2474 . 1 1 13 PRO CB C 8.160 -1.442 1.101 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CB . . . . . . . . . c19501_2mdq 1 . 12 . 2475 . 1 1 13 PRO CD C 7.092 -1.528 -1.025 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CD . . . . . . . . . c19501_2mdq 1 . 12 . 2476 . 1 1 13 PRO CG C 7.840 -2.359 -0.034 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CG . . . . . . . . . c19501_2mdq 1 . 12 . 2477 . 1 1 13 PRO HA H 6.407 -0.510 1.926 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HA . . . . . . . . . c19501_2mdq 1 . 12 . 2478 . 1 1 13 PRO HB2 H 9.116 -0.965 0.959 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HB2 . . . . . . . . . c19501_2mdq 1 . 12 . 2479 . 1 1 13 PRO HB3 H 8.152 -1.966 2.046 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HB3 . . . . . . . . . c19501_2mdq 1 . 12 . 2480 . 1 1 13 PRO HD2 H 7.776 -0.970 -1.647 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HD2 . . . . . . . . . c19501_2mdq 1 . 12 . 2481 . 1 1 13 PRO HD3 H 6.433 -2.139 -1.624 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HD3 . . . . . . . . . c19501_2mdq 1 . 12 . 2482 . 1 1 13 PRO HG2 H 8.751 -2.739 -0.473 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HG2 . . . . . . . . . c19501_2mdq 1 . 12 . 2483 . 1 1 13 PRO HG3 H 7.223 -3.174 0.312 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HG3 . . . . . . . . . c19501_2mdq 1 . 12 . 2484 . 1 1 13 PRO N N 6.330 -0.629 -0.162 . . . 1.0 . . . . . . . . . . . . A . 13 PRO N . . . . . . . . . c19501_2mdq 1 . 12 . 2485 . 1 1 13 PRO O O 7.687 1.610 2.244 . . . 1.0 . . . . . . . . . . . . A . 13 PRO O . . . . . . . . . c19501_2mdq 1 . 12 . 2486 . 1 1 14 GLU C C 7.550 3.913 -0.208 . . . 1.0 . . . . . . . . . . . . A . 14 GLU C . . . . . . . . . c19501_2mdq 1 . 12 . 2487 . 1 1 14 GLU CA C 8.593 2.831 0.030 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CA . . . . . . . . . c19501_2mdq 1 . 12 . 2488 . 1 1 14 GLU CB C 9.715 2.895 -0.993 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CB . . . . . . . . . c19501_2mdq 1 . 12 . 2489 . 1 1 14 GLU CD C 10.501 2.660 -3.363 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CD . . . . . . . . . c19501_2mdq 1 . 12 . 2490 . 1 1 14 GLU CG C 9.365 2.440 -2.394 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CG . . . . . . . . . c19501_2mdq 1 . 12 . 2491 . 1 1 14 GLU H H 7.895 1.057 -0.771 . . . 1.0 . . . . . . . . . . . . A . 14 GLU H . . . . . . . . . c19501_2mdq 1 . 12 . 2492 . 1 1 14 GLU HA H 9.021 3.001 1.007 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HA . . . . . . . . . c19501_2mdq 1 . 12 . 2493 . 1 1 14 GLU HB2 H 9.939 3.939 -1.069 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HB2 . . . . . . . . . c19501_2mdq 1 . 12 . 2494 . 1 1 14 GLU HB3 H 10.581 2.357 -0.643 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HB3 . . . . . . . . . c19501_2mdq 1 . 12 . 2495 . 1 1 14 GLU HG2 H 9.143 1.384 -2.363 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HG2 . . . . . . . . . c19501_2mdq 1 . 12 . 2496 . 1 1 14 GLU HG3 H 8.500 2.987 -2.737 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HG3 . . . . . . . . . c19501_2mdq 1 . 12 . 2497 . 1 1 14 GLU N N 8.010 1.546 0.064 . . . 1.0 . . . . . . . . . . . . A . 14 GLU N . . . . . . . . . c19501_2mdq 1 . 12 . 2498 . 1 1 14 GLU O O 7.887 5.086 -0.358 . . . 1.0 . . . . . . . . . . . . A . 14 GLU O . . . . . . . . . c19501_2mdq 1 . 12 . 2499 . 1 1 14 GLU OE1 O 10.581 3.747 -3.971 . . . 1.0 . . . . . . . . . . . . A . 14 GLU OE1 . . . . . . . . . c19501_2mdq 1 . 12 . 2500 . 1 1 14 GLU OE2 O 11.341 1.768 -3.541 . . . 1.0 . . . . . . . . . . . . A . 14 GLU OE2 . . . . . . . . . c19501_2mdq 1 . 12 . 2501 . 1 1 15 ILE C C 4.536 4.676 0.928 . . . 1.0 . . . . . . . . . . . . A . 15 ILE C . . . . . . . . . c19501_2mdq 1 . 12 . 2502 . 1 1 15 ILE CA C 5.225 4.481 -0.403 . . . 1.0 . . . . . . . . . . . . A . 15 ILE CA . . . . . . . . . c19501_2mdq 1 . 12 . 2503 . 1 1 15 ILE CB C 4.188 4.061 -1.483 . . . 1.0 . . . . . . . . . . . . A . 15 ILE CB . . . . . . . . . c19501_2mdq 1 . 12 . 2504 . 1 1 15 ILE CD1 C 5.692 4.804 -3.444 . . . 1.0 . . . . . . . . . . . . A . 15 ILE CD1 . . . . . . . . . c19501_2mdq 1 . 12 . 2505 . 1 1 15 ILE CG1 C 4.880 3.689 -2.809 . . . 1.0 . . . . . . . . . . . . A . 15 ILE CG1 . . . . . . . . . c19501_2mdq 1 . 12 . 2506 . 1 1 15 ILE CG2 C 3.181 5.187 -1.721 . . . 1.0 . . . . . . . . . . . . A . 15 ILE CG2 . . . . . . . . . c19501_2mdq 1 . 12 . 2507 . 1 1 15 ILE H H 6.071 2.572 -0.128 . . . 1.0 . . . . . . . . . . . . A . 15 ILE H . . . . . . . . . c19501_2mdq 1 . 12 . 2508 . 1 1 15 ILE HA H 5.662 5.425 -0.673 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HA . . . . . . . . . c19501_2mdq 1 . 12 . 2509 . 1 1 15 ILE HB H 3.648 3.206 -1.111 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HB . . . . . . . . . c19501_2mdq 1 . 12 . 2510 . 1 1 15 ILE HD11 H 6.489 5.094 -2.776 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HD11 . . . . . . . . . c19501_2mdq 1 . 12 . 2511 . 1 1 15 ILE HD12 H 5.048 5.649 -3.634 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HD12 . . . . . . . . . c19501_2mdq 1 . 12 . 2512 . 1 1 15 ILE HD13 H 6.109 4.448 -4.374 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HD13 . . . . . . . . . c19501_2mdq 1 . 12 . 2513 . 1 1 15 ILE HG12 H 5.546 2.857 -2.640 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HG12 . . . . . . . . . c19501_2mdq 1 . 12 . 2514 . 1 1 15 ILE HG13 H 4.117 3.394 -3.515 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HG13 . . . . . . . . . c19501_2mdq 1 . 12 . 2515 . 1 1 15 ILE HG21 H 3.702 6.064 -2.076 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HG21 . . . . . . . . . c19501_2mdq 1 . 12 . 2516 . 1 1 15 ILE HG22 H 2.679 5.420 -0.794 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HG22 . . . . . . . . . c19501_2mdq 1 . 12 . 2517 . 1 1 15 ILE HG23 H 2.456 4.872 -2.457 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HG23 . . . . . . . . . c19501_2mdq 1 . 12 . 2518 . 1 1 15 ILE N N 6.287 3.523 -0.236 . . . 1.0 . . . . . . . . . . . . A . 15 ILE N . . . . . . . . . c19501_2mdq 1 . 12 . 2519 . 1 1 15 ILE O O 4.623 5.737 1.537 . . . 1.0 . . . . . . . . . . . . A . 15 ILE O . . . . . . . . . c19501_2mdq 1 . 12 . 2520 . 1 1 16 CYS C C 3.489 2.446 3.458 . . . 1.0 . . . . . . . . . . . . A . 16 CYS C . . . . . . . . . c19501_2mdq 1 . 12 . 2521 . 1 1 16 CYS CA C 3.215 3.690 2.639 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CA . . . . . . . . . c19501_2mdq 1 . 12 . 2522 . 1 1 16 CYS CB C 1.738 3.884 2.417 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CB . . . . . . . . . c19501_2mdq 1 . 12 . 2523 . 1 1 16 CYS H H 3.872 2.821 0.880 . . . 1.0 . . . . . . . . . . . . A . 16 CYS H . . . . . . . . . c19501_2mdq 1 . 12 . 2524 . 1 1 16 CYS HA H 3.583 4.547 3.172 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HA . . . . . . . . . c19501_2mdq 1 . 12 . 2525 . 1 1 16 CYS HB2 H 1.479 3.186 1.641 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB2 . . . . . . . . . c19501_2mdq 1 . 12 . 2526 . 1 1 16 CYS HB3 H 1.221 3.640 3.328 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB3 . . . . . . . . . c19501_2mdq 1 . 12 . 2527 . 1 1 16 CYS N N 3.903 3.655 1.392 . . . 1.0 . . . . . . . . . . . . A . 16 CYS N . . . . . . . . . c19501_2mdq 1 . 12 . 2528 . 1 1 16 CYS O O 2.777 1.462 3.368 . . . 1.0 . . . . . . . . . . . . A . 16 CYS O . . . . . . . . . c19501_2mdq 1 . 12 . 2529 . 1 1 16 CYS SG S 1.255 5.564 1.851 . . . 1.0 . . . . . . . . . . . . A . 16 CYS SG . . . . . . . . . c19501_2mdq 1 . 12 . 2530 . 1 1 17 NH2 HN1 H 5.059 3.317 4.267 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 HN1 . . . . . . . . . c19501_2mdq 1 . 12 . 2531 . 1 1 17 NH2 HN2 H 4.738 1.694 4.779 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 HN2 . . . . . . . . . c19501_2mdq 1 . 12 . 2532 . 1 1 17 NH2 N N 4.534 2.490 4.246 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 N . . . . . . . . . c19501_2mdq 1 . 13 . 2533 . 1 1 1 GLY C C -3.996 3.788 -3.526 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c19501_2mdq 1 . 13 . 2534 . 1 1 1 GLY CA C -4.101 5.118 -4.201 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c19501_2mdq 1 . 13 . 2535 . 1 1 1 GLY H1 H -4.966 6.051 -2.568 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c19501_2mdq 1 . 13 . 2536 . 1 1 1 GLY H2 H -6.056 5.401 -3.664 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H2 . . . . . . . . . c19501_2mdq 1 . 13 . 2537 . 1 1 1 GLY H3 H -5.259 6.841 -4.039 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H3 . . . . . . . . . c19501_2mdq 1 . 13 . 2538 . 1 1 1 GLY HA2 H -4.341 4.960 -5.242 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c19501_2mdq 1 . 13 . 2539 . 1 1 1 GLY HA3 H -3.159 5.641 -4.127 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c19501_2mdq 1 . 13 . 2540 . 1 1 1 GLY N N -5.159 5.915 -3.582 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c19501_2mdq 1 . 13 . 2541 . 1 1 1 GLY O O -4.912 3.388 -2.816 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c19501_2mdq 1 . 13 . 2542 . 1 1 2 CYS C C -2.588 1.803 -1.633 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . c19501_2mdq 1 . 13 . 2543 . 1 1 2 CYS CA C -2.673 1.824 -3.128 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . c19501_2mdq 1 . 13 . 2544 . 1 1 2 CYS CB C -1.504 1.171 -3.756 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . c19501_2mdq 1 . 13 . 2545 . 1 1 2 CYS H H -2.125 3.505 -4.184 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . c19501_2mdq 1 . 13 . 2546 . 1 1 2 CYS HA H -3.538 1.260 -3.413 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . c19501_2mdq 1 . 13 . 2547 . 1 1 2 CYS HB2 H -0.825 1.983 -3.944 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . c19501_2mdq 1 . 13 . 2548 . 1 1 2 CYS HB3 H -1.065 0.465 -3.072 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . c19501_2mdq 1 . 13 . 2549 . 1 1 2 CYS N N -2.878 3.125 -3.681 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . c19501_2mdq 1 . 13 . 2550 . 1 1 2 CYS O O -2.852 0.792 -1.012 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . c19501_2mdq 1 . 13 . 2551 . 1 1 2 CYS SG S -1.866 0.381 -5.349 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . c19501_2mdq 1 . 13 . 2552 . 1 1 3 CYS C C -3.594 3.148 0.963 . . . 1.0 . . . . . . . . . . . . A . 3 CYS C . . . . . . . . . c19501_2mdq 1 . 13 . 2553 . 1 1 3 CYS CA C -2.207 3.047 0.372 . . . 1.0 . . . . . . . . . . . . A . 3 CYS CA . . . . . . . . . c19501_2mdq 1 . 13 . 2554 . 1 1 3 CYS CB C -1.380 4.221 0.755 . . . 1.0 . . . . . . . . . . . . A . 3 CYS CB . . . . . . . . . c19501_2mdq 1 . 13 . 2555 . 1 1 3 CYS H H -1.999 3.675 -1.623 . . . 1.0 . . . . . . . . . . . . A . 3 CYS H . . . . . . . . . c19501_2mdq 1 . 13 . 2556 . 1 1 3 CYS HA H -1.748 2.153 0.756 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HA . . . . . . . . . c19501_2mdq 1 . 13 . 2557 . 1 1 3 CYS HB2 H -1.686 5.049 0.135 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HB2 . . . . . . . . . c19501_2mdq 1 . 13 . 2558 . 1 1 3 CYS HB3 H -1.627 4.447 1.771 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HB3 . . . . . . . . . c19501_2mdq 1 . 13 . 2559 . 1 1 3 CYS N N -2.251 2.913 -1.060 . . . 1.0 . . . . . . . . . . . . A . 3 CYS N . . . . . . . . . c19501_2mdq 1 . 13 . 2560 . 1 1 3 CYS O O -3.849 2.727 2.096 . . . 1.0 . . . . . . . . . . . . A . 3 CYS O . . . . . . . . . c19501_2mdq 1 . 13 . 2561 . 1 1 3 CYS SG S 0.403 3.980 0.525 . . . 1.0 . . . . . . . . . . . . A . 3 CYS SG . . . . . . . . . c19501_2mdq 1 . 13 . 2562 . 1 1 4 SER C C -6.555 2.336 0.446 . . . 1.0 . . . . . . . . . . . . A . 4 SER C . . . . . . . . . c19501_2mdq 1 . 13 . 2563 . 1 1 4 SER CA C -5.908 3.755 0.487 . . . 1.0 . . . . . . . . . . . . A . 4 SER CA . . . . . . . . . c19501_2mdq 1 . 13 . 2564 . 1 1 4 SER CB C -6.580 4.654 -0.555 . . . 1.0 . . . . . . . . . . . . A . 4 SER CB . . . . . . . . . c19501_2mdq 1 . 13 . 2565 . 1 1 4 SER H H -4.127 4.031 -0.666 . . . 1.0 . . . . . . . . . . . . A . 4 SER H . . . . . . . . . c19501_2mdq 1 . 13 . 2566 . 1 1 4 SER HA H -6.021 4.190 1.469 . . . 1.0 . . . . . . . . . . . . A . 4 SER HA . . . . . . . . . c19501_2mdq 1 . 13 . 2567 . 1 1 4 SER HB2 H -6.690 4.104 -1.478 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB2 . . . . . . . . . c19501_2mdq 1 . 13 . 2568 . 1 1 4 SER HB3 H -7.552 4.963 -0.203 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB3 . . . . . . . . . c19501_2mdq 1 . 13 . 2569 . 1 1 4 SER HG H -6.056 6.507 -0.190 . . . 1.0 . . . . . . . . . . . . A . 4 SER HG . . . . . . . . . c19501_2mdq 1 . 13 . 2570 . 1 1 4 SER N N -4.482 3.659 0.167 . . . 1.0 . . . . . . . . . . . . A . 4 SER N . . . . . . . . . c19501_2mdq 1 . 13 . 2571 . 1 1 4 SER O O -7.768 2.169 0.633 . . . 1.0 . . . . . . . . . . . . A . 4 SER O . . . . . . . . . c19501_2mdq 1 . 13 . 2572 . 1 1 4 SER OG O -5.788 5.817 -0.810 . . . 1.0 . . . . . . . . . . . . A . 4 SER OG . . . . . . . . . c19501_2mdq 1 . 13 . 2573 . 1 1 5 HIS C C -5.164 -0.813 1.023 . . . 1.0 . . . . . . . . . . . . A . 5 HIS C . . . . . . . . . c19501_2mdq 1 . 13 . 2574 . 1 1 5 HIS CA C -6.095 -0.041 0.101 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CA . . . . . . . . . c19501_2mdq 1 . 13 . 2575 . 1 1 5 HIS CB C -5.911 -0.585 -1.322 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CB . . . . . . . . . c19501_2mdq 1 . 13 . 2576 . 1 1 5 HIS CD2 C -6.944 1.170 -2.939 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CD2 . . . . . . . . . c19501_2mdq 1 . 13 . 2577 . 1 1 5 HIS CE1 C -8.391 -0.096 -3.943 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CE1 . . . . . . . . . c19501_2mdq 1 . 13 . 2578 . 1 1 5 HIS CG C -6.853 -0.057 -2.374 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CG . . . . . . . . . c19501_2mdq 1 . 13 . 2579 . 1 1 5 HIS H H -4.780 1.552 0.009 . . . 1.0 . . . . . . . . . . . . A . 5 HIS H . . . . . . . . . c19501_2mdq 1 . 13 . 2580 . 1 1 5 HIS HA H -7.120 -0.162 0.408 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HA . . . . . . . . . c19501_2mdq 1 . 13 . 2581 . 1 1 5 HIS HB2 H -4.907 -0.342 -1.637 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB2 . . . . . . . . . c19501_2mdq 1 . 13 . 2582 . 1 1 5 HIS HB3 H -6.013 -1.658 -1.278 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB3 . . . . . . . . . c19501_2mdq 1 . 13 . 2583 . 1 1 5 HIS HD1 H -7.967 -1.790 -2.858 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD1 . . . . . . . . . c19501_2mdq 1 . 13 . 2584 . 1 1 5 HIS HD2 H -6.352 2.033 -2.669 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD2 . . . . . . . . . c19501_2mdq 1 . 13 . 2585 . 1 1 5 HIS HE1 H -9.162 -0.465 -4.606 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HE1 . . . . . . . . . c19501_2mdq 1 . 13 . 2586 . 1 1 5 HIS N N -5.726 1.347 0.162 . . . 1.0 . . . . . . . . . . . . A . 5 HIS N . . . . . . . . . c19501_2mdq 1 . 13 . 2587 . 1 1 5 HIS ND1 N -7.781 -0.838 -3.024 . . . 1.0 . . . . . . . . . . . . A . 5 HIS ND1 . . . . . . . . . c19501_2mdq 1 . 13 . 2588 . 1 1 5 HIS NE2 N -7.920 1.144 -3.938 . . . 1.0 . . . . . . . . . . . . A . 5 HIS NE2 . . . . . . . . . c19501_2mdq 1 . 13 . 2589 . 1 1 5 HIS O O -4.022 -0.409 1.211 . . . 1.0 . . . . . . . . . . . . A . 5 HIS O . . . . . . . . . c19501_2mdq 1 . 13 . 2590 . 1 1 6 PRO C C -3.855 -3.665 1.629 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . c19501_2mdq 1 . 13 . 2591 . 1 1 6 PRO CA C -4.764 -2.732 2.466 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . c19501_2mdq 1 . 13 . 2592 . 1 1 6 PRO CB C -5.755 -3.545 3.305 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . c19501_2mdq 1 . 13 . 2593 . 1 1 6 PRO CD C -7.041 -2.328 1.684 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . c19501_2mdq 1 . 13 . 2594 . 1 1 6 PRO CG C -7.004 -3.600 2.486 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . c19501_2mdq 1 . 13 . 2595 . 1 1 6 PRO HA H -4.140 -2.135 3.114 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . c19501_2mdq 1 . 13 . 2596 . 1 1 6 PRO HB2 H -5.352 -4.531 3.482 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB2 . . . . . . . . . c19501_2mdq 1 . 13 . 2597 . 1 1 6 PRO HB3 H -5.927 -3.047 4.248 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . c19501_2mdq 1 . 13 . 2598 . 1 1 6 PRO HD2 H -7.422 -2.509 0.690 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD2 . . . . . . . . . c19501_2mdq 1 . 13 . 2599 . 1 1 6 PRO HD3 H -7.649 -1.593 2.188 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . c19501_2mdq 1 . 13 . 2600 . 1 1 6 PRO HG2 H -6.969 -4.455 1.827 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG2 . . . . . . . . . c19501_2mdq 1 . 13 . 2601 . 1 1 6 PRO HG3 H -7.867 -3.663 3.133 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . c19501_2mdq 1 . 13 . 2602 . 1 1 6 PRO N N -5.627 -1.893 1.642 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . c19501_2mdq 1 . 13 . 2603 . 1 1 6 PRO O O -2.663 -3.800 1.905 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . c19501_2mdq 1 . 13 . 2604 . 1 1 7 ALA C C -2.563 -4.651 -1.051 . . . 1.0 . . . . . . . . . . . . A . 7 ALA C . . . . . . . . . c19501_2mdq 1 . 13 . 2605 . 1 1 7 ALA CA C -3.673 -5.250 -0.202 . . . 1.0 . . . . . . . . . . . . A . 7 ALA CA . . . . . . . . . c19501_2mdq 1 . 13 . 2606 . 1 1 7 ALA CB C -4.615 -6.094 -1.035 . . . 1.0 . . . . . . . . . . . . A . 7 ALA CB . . . . . . . . . c19501_2mdq 1 . 13 . 2607 . 1 1 7 ALA H H -5.323 -4.015 0.330 . . . 1.0 . . . . . . . . . . . . A . 7 ALA H . . . . . . . . . c19501_2mdq 1 . 13 . 2608 . 1 1 7 ALA HA H -3.187 -5.905 0.504 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HA . . . . . . . . . c19501_2mdq 1 . 13 . 2609 . 1 1 7 ALA HB1 H -4.062 -6.902 -1.492 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB1 . . . . . . . . . c19501_2mdq 1 . 13 . 2610 . 1 1 7 ALA HB2 H -5.064 -5.488 -1.806 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB2 . . . . . . . . . c19501_2mdq 1 . 13 . 2611 . 1 1 7 ALA HB3 H -5.388 -6.503 -0.402 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB3 . . . . . . . . . c19501_2mdq 1 . 13 . 2612 . 1 1 7 ALA N N -4.405 -4.256 0.578 . . . 1.0 . . . . . . . . . . . . A . 7 ALA N . . . . . . . . . c19501_2mdq 1 . 13 . 2613 . 1 1 7 ALA O O -1.477 -5.204 -1.135 . . . 1.0 . . . . . . . . . . . . A . 7 ALA O . . . . . . . . . c19501_2mdq 1 . 13 . 2614 . 1 1 8 CYS C C -0.877 -2.007 -1.659 . . . 1.0 . . . . . . . . . . . . A . 8 CYS C . . . . . . . . . c19501_2mdq 1 . 13 . 2615 . 1 1 8 CYS CA C -1.806 -2.883 -2.504 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CA . . . . . . . . . c19501_2mdq 1 . 13 . 2616 . 1 1 8 CYS CB C -2.499 -2.045 -3.598 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CB . . . . . . . . . c19501_2mdq 1 . 13 . 2617 . 1 1 8 CYS H H -3.690 -3.092 -1.540 . . . 1.0 . . . . . . . . . . . . A . 8 CYS H . . . . . . . . . c19501_2mdq 1 . 13 . 2618 . 1 1 8 CYS HA H -1.223 -3.664 -2.966 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HA . . . . . . . . . c19501_2mdq 1 . 13 . 2619 . 1 1 8 CYS HB2 H -3.327 -2.602 -4.006 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB2 . . . . . . . . . c19501_2mdq 1 . 13 . 2620 . 1 1 8 CYS HB3 H -2.872 -1.137 -3.148 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB3 . . . . . . . . . c19501_2mdq 1 . 13 . 2621 . 1 1 8 CYS N N -2.810 -3.513 -1.645 . . . 1.0 . . . . . . . . . . . . A . 8 CYS N . . . . . . . . . c19501_2mdq 1 . 13 . 2622 . 1 1 8 CYS O O 0.015 -1.344 -2.159 . . . 1.0 . . . . . . . . . . . . A . 8 CYS O . . . . . . . . . c19501_2mdq 1 . 13 . 2623 . 1 1 8 CYS SG S -1.435 -1.571 -5.008 . . . 1.0 . . . . . . . . . . . . A . 8 CYS SG . . . . . . . . . c19501_2mdq 1 . 13 . 2624 . 1 1 9 ASN C C 1.047 -1.849 0.772 . . . 1.0 . . . . . . . . . . . . A . 9 ASN C . . . . . . . . . c19501_2mdq 1 . 13 . 2625 . 1 1 9 ASN CA C -0.308 -1.217 0.544 . . . 1.0 . . . . . . . . . . . . A . 9 ASN CA . . . . . . . . . c19501_2mdq 1 . 13 . 2626 . 1 1 9 ASN CB C -1.022 -1.155 1.869 . . . 1.0 . . . . . . . . . . . . A . 9 ASN CB . . . . . . . . . c19501_2mdq 1 . 13 . 2627 . 1 1 9 ASN CG C -0.605 -0.006 2.748 . . . 1.0 . . . . . . . . . . . . A . 9 ASN CG . . . . . . . . . c19501_2mdq 1 . 13 . 2628 . 1 1 9 ASN H H -1.764 -2.641 -0.010 . . . 1.0 . . . . . . . . . . . . A . 9 ASN H . . . . . . . . . c19501_2mdq 1 . 13 . 2629 . 1 1 9 ASN HA H -0.202 -0.224 0.146 . . . 1.0 . . . . . . . . . . . . A . 9 ASN HA . . . . . . . . . c19501_2mdq 1 . 13 . 2630 . 1 1 9 ASN HB2 H -2.085 -1.112 1.698 . . . 1.0 . . . . . . . . . . . . A . 9 ASN HB2 . . . . . . . . . c19501_2mdq 1 . 13 . 2631 . 1 1 9 ASN HB3 H -0.790 -2.076 2.376 . . . 1.0 . . . . . . . . . . . . A . 9 ASN HB3 . . . . . . . . . c19501_2mdq 1 . 13 . 2632 . 1 1 9 ASN HD21 H -2.236 0.931 2.233 . . . 1.0 . . . . . . . . . . . . A . 9 ASN HD21 . . . . . . . . . c19501_2mdq 1 . 13 . 2633 . 1 1 9 ASN HD22 H -1.249 1.782 3.356 . . . 1.0 . . . . . . . . . . . . A . 9 ASN HD22 . . . . . . . . . c19501_2mdq 1 . 13 . 2634 . 1 1 9 ASN N N -1.075 -2.041 -0.367 . . . 1.0 . . . . . . . . . . . . A . 9 ASN N . . . . . . . . . c19501_2mdq 1 . 13 . 2635 . 1 1 9 ASN ND2 N -1.422 1.004 2.781 . . . 1.0 . . . . . . . . . . . . A . 9 ASN ND2 . . . . . . . . . c19501_2mdq 1 . 13 . 2636 . 1 1 9 ASN O O 2.078 -1.174 0.814 . . . 1.0 . . . . . . . . . . . . A . 9 ASN O . . . . . . . . . c19501_2mdq 1 . 13 . 2637 . 1 1 9 ASN OD1 O 0.401 -0.066 3.458 . . . 1.0 . . . . . . . . . . . . A . 9 ASN OD1 . . . . . . . . . c19501_2mdq 1 . 13 . 2638 . 1 1 10 VAL C C 3.222 -4.002 0.061 . . . 1.0 . . . . . . . . . . . . A . 10 VAL C . . . . . . . . . c19501_2mdq 1 . 13 . 2639 . 1 1 10 VAL CA C 2.202 -3.949 1.211 . . . 1.0 . . . . . . . . . . . . A . 10 VAL CA . . . . . . . . . c19501_2mdq 1 . 13 . 2640 . 1 1 10 VAL CB C 1.817 -5.389 1.687 . . . 1.0 . . . . . . . . . . . . A . 10 VAL CB . . . . . . . . . c19501_2mdq 1 . 13 . 2641 . 1 1 10 VAL CG1 C 1.128 -6.192 0.591 . . . 1.0 . . . . . . . . . . . . A . 10 VAL CG1 . . . . . . . . . c19501_2mdq 1 . 13 . 2642 . 1 1 10 VAL CG2 C 3.025 -6.138 2.240 . . . 1.0 . . . . . . . . . . . . A . 10 VAL CG2 . . . . . . . . . c19501_2mdq 1 . 13 . 2643 . 1 1 10 VAL H H 0.159 -3.596 0.743 . . . 1.0 . . . . . . . . . . . . A . 10 VAL H . . . . . . . . . c19501_2mdq 1 . 13 . 2644 . 1 1 10 VAL HA H 2.681 -3.445 2.039 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HA . . . . . . . . . c19501_2mdq 1 . 13 . 2645 . 1 1 10 VAL HB H 1.102 -5.270 2.488 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HB . . . . . . . . . c19501_2mdq 1 . 13 . 2646 . 1 1 10 VAL HG11 H 0.218 -5.692 0.294 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG11 . . . . . . . . . c19501_2mdq 1 . 13 . 2647 . 1 1 10 VAL HG12 H 0.896 -7.180 0.958 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG12 . . . . . . . . . c19501_2mdq 1 . 13 . 2648 . 1 1 10 VAL HG13 H 1.787 -6.271 -0.261 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG13 . . . . . . . . . c19501_2mdq 1 . 13 . 2649 . 1 1 10 VAL HG21 H 2.720 -7.124 2.556 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG21 . . . . . . . . . c19501_2mdq 1 . 13 . 2650 . 1 1 10 VAL HG22 H 3.429 -5.598 3.083 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG22 . . . . . . . . . c19501_2mdq 1 . 13 . 2651 . 1 1 10 VAL HG23 H 3.778 -6.222 1.471 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG23 . . . . . . . . . c19501_2mdq 1 . 13 . 2652 . 1 1 10 VAL N N 1.025 -3.160 0.883 . . . 1.0 . . . . . . . . . . . . A . 10 VAL N . . . . . . . . . c19501_2mdq 1 . 13 . 2653 . 1 1 10 VAL O O 4.427 -4.076 0.297 . . . 1.0 . . . . . . . . . . . . A . 10 VAL O . . . . . . . . . c19501_2mdq 1 . 13 . 2654 . 1 1 11 ASP C C 4.252 -2.637 -2.656 . . . 1.0 . . . . . . . . . . . . A . 11 ASP C . . . . . . . . . c19501_2mdq 1 . 13 . 2655 . 1 1 11 ASP CA C 3.710 -3.997 -2.280 . . . 1.0 . . . . . . . . . . . . A . 11 ASP CA . . . . . . . . . c19501_2mdq 1 . 13 . 2656 . 1 1 11 ASP CB C 3.210 -4.799 -3.494 . . . 1.0 . . . . . . . . . . . . A . 11 ASP CB . . . . . . . . . c19501_2mdq 1 . 13 . 2657 . 1 1 11 ASP CG C 1.974 -4.259 -4.164 . . . 1.0 . . . . . . . . . . . . A . 11 ASP CG . . . . . . . . . c19501_2mdq 1 . 13 . 2658 . 1 1 11 ASP H H 1.804 -3.853 -1.349 . . . 1.0 . . . . . . . . . . . . A . 11 ASP H . . . . . . . . . c19501_2mdq 1 . 13 . 2659 . 1 1 11 ASP HA H 4.558 -4.516 -1.858 . . . 1.0 . . . . . . . . . . . . A . 11 ASP HA . . . . . . . . . c19501_2mdq 1 . 13 . 2660 . 1 1 11 ASP HB2 H 3.993 -4.824 -4.237 . . . 1.0 . . . . . . . . . . . . A . 11 ASP HB2 . . . . . . . . . c19501_2mdq 1 . 13 . 2661 . 1 1 11 ASP HB3 H 3.012 -5.811 -3.172 . . . 1.0 . . . . . . . . . . . . A . 11 ASP HB3 . . . . . . . . . c19501_2mdq 1 . 13 . 2662 . 1 1 11 ASP N N 2.766 -3.933 -1.173 . . . 1.0 . . . . . . . . . . . . A . 11 ASP N . . . . . . . . . c19501_2mdq 1 . 13 . 2663 . 1 1 11 ASP O O 5.051 -2.505 -3.590 . . . 1.0 . . . . . . . . . . . . A . 11 ASP O . . . . . . . . . c19501_2mdq 1 . 13 . 2664 . 1 1 11 ASP OD1 O 0.858 -4.615 -3.736 . . . 1.0 . . . . . . . . . . . . A . 11 ASP OD1 . . . . . . . . . c19501_2mdq 1 . 13 . 2665 . 1 1 11 ASP OD2 O 2.099 -3.560 -5.188 . . . 1.0 . . . . . . . . . . . . A . 11 ASP OD2 . . . . . . . . . c19501_2mdq 1 . 13 . 2666 . 1 1 12 HIS C C 5.065 0.071 -0.687 . . . 1.0 . . . . . . . . . . . . A . 12 HIS C . . . . . . . . . c19501_2mdq 1 . 13 . 2667 . 1 1 12 HIS CA C 4.398 -0.318 -2.019 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CA . . . . . . . . . c19501_2mdq 1 . 13 . 2668 . 1 1 12 HIS CB C 3.309 0.680 -2.351 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CB . . . . . . . . . c19501_2mdq 1 . 13 . 2669 . 1 1 12 HIS CD2 C 1.727 -0.052 -4.264 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CD2 . . . . . . . . . c19501_2mdq 1 . 13 . 2670 . 1 1 12 HIS CE1 C 2.574 1.105 -5.887 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CE1 . . . . . . . . . c19501_2mdq 1 . 13 . 2671 . 1 1 12 HIS CG C 2.776 0.628 -3.752 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CG . . . . . . . . . c19501_2mdq 1 . 13 . 2672 . 1 1 12 HIS H H 3.166 -1.742 -1.222 . . . 1.0 . . . . . . . . . . . . A . 12 HIS H . . . . . . . . . c19501_2mdq 1 . 13 . 2673 . 1 1 12 HIS HA H 5.129 -0.319 -2.810 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HA . . . . . . . . . c19501_2mdq 1 . 13 . 2674 . 1 1 12 HIS HB2 H 2.494 0.440 -1.689 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HB2 . . . . . . . . . c19501_2mdq 1 . 13 . 2675 . 1 1 12 HIS HB3 H 3.673 1.663 -2.123 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HB3 . . . . . . . . . c19501_2mdq 1 . 13 . 2676 . 1 1 12 HIS HD1 H 4.082 1.948 -4.767 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HD1 . . . . . . . . . c19501_2mdq 1 . 13 . 2677 . 1 1 12 HIS HD2 H 1.084 -0.726 -3.713 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HD2 . . . . . . . . . c19501_2mdq 1 . 13 . 2678 . 1 1 12 HIS HE1 H 2.766 1.537 -6.859 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HE1 . . . . . . . . . c19501_2mdq 1 . 13 . 2679 . 1 1 12 HIS N N 3.858 -1.632 -1.903 . . . 1.0 . . . . . . . . . . . . A . 12 HIS N . . . . . . . . . c19501_2mdq 1 . 13 . 2680 . 1 1 12 HIS ND1 N 3.300 1.354 -4.798 . . . 1.0 . . . . . . . . . . . . A . 12 HIS ND1 . . . . . . . . . c19501_2mdq 1 . 13 . 2681 . 1 1 12 HIS NE2 N 1.600 0.257 -5.623 . . . 1.0 . . . . . . . . . . . . A . 12 HIS NE2 . . . . . . . . . c19501_2mdq 1 . 13 . 2682 . 1 1 12 HIS O O 4.534 0.911 0.062 . . . 1.0 . . . . . . . . . . . . A . 12 HIS O . . . . . . . . . c19501_2mdq 1 . 13 . 2683 . 1 1 13 PRO C C 7.507 1.048 1.084 . . . 1.0 . . . . . . . . . . . . A . 13 PRO C . . . . . . . . . c19501_2mdq 1 . 13 . 2684 . 1 1 13 PRO CA C 6.904 -0.327 0.941 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CA . . . . . . . . . c19501_2mdq 1 . 13 . 2685 . 1 1 13 PRO CB C 8.004 -1.405 0.965 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CB . . . . . . . . . c19501_2mdq 1 . 13 . 2686 . 1 1 13 PRO CD C 7.051 -1.398 -1.230 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CD . . . . . . . . . c19501_2mdq 1 . 13 . 2687 . 1 1 13 PRO CG C 7.752 -2.268 -0.235 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CG . . . . . . . . . c19501_2mdq 1 . 13 . 2688 . 1 1 13 PRO HA H 6.215 -0.483 1.750 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HA . . . . . . . . . c19501_2mdq 1 . 13 . 2689 . 1 1 13 PRO HB2 H 8.968 -0.924 0.912 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HB2 . . . . . . . . . c19501_2mdq 1 . 13 . 2690 . 1 1 13 PRO HB3 H 7.939 -1.973 1.882 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HB3 . . . . . . . . . c19501_2mdq 1 . 13 . 2691 . 1 1 13 PRO HD2 H 7.764 -0.831 -1.812 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HD2 . . . . . . . . . c19501_2mdq 1 . 13 . 2692 . 1 1 13 PRO HD3 H 6.415 -1.988 -1.873 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HD3 . . . . . . . . . c19501_2mdq 1 . 13 . 2693 . 1 1 13 PRO HG2 H 8.689 -2.621 -0.640 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HG2 . . . . . . . . . c19501_2mdq 1 . 13 . 2694 . 1 1 13 PRO HG3 H 7.126 -3.105 0.038 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HG3 . . . . . . . . . c19501_2mdq 1 . 13 . 2695 . 1 1 13 PRO N N 6.248 -0.516 -0.366 . . . 1.0 . . . . . . . . . . . . A . 13 PRO N . . . . . . . . . c19501_2mdq 1 . 13 . 2696 . 1 1 13 PRO O O 7.545 1.632 2.159 . . . 1.0 . . . . . . . . . . . . A . 13 PRO O . . . . . . . . . c19501_2mdq 1 . 13 . 2697 . 1 1 14 GLU C C 7.504 3.963 -0.047 . . . 1.0 . . . . . . . . . . . . A . 14 GLU C . . . . . . . . . c19501_2mdq 1 . 13 . 2698 . 1 1 14 GLU CA C 8.539 2.842 -0.116 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CA . . . . . . . . . c19501_2mdq 1 . 13 . 2699 . 1 1 14 GLU CB C 9.340 2.895 -1.395 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CB . . . . . . . . . c19501_2mdq 1 . 13 . 2700 . 1 1 14 GLU CD C 9.435 2.513 -3.860 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CD . . . . . . . . . c19501_2mdq 1 . 13 . 2701 . 1 1 14 GLU CG C 8.545 2.631 -2.660 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CG . . . . . . . . . c19501_2mdq 1 . 13 . 2702 . 1 1 14 GLU H H 7.837 1.032 -0.836 . . . 1.0 . . . . . . . . . . . . A . 14 GLU H . . . . . . . . . c19501_2mdq 1 . 13 . 2703 . 1 1 14 GLU HA H 9.221 2.937 0.715 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HA . . . . . . . . . c19501_2mdq 1 . 13 . 2704 . 1 1 14 GLU HB2 H 9.747 3.886 -1.471 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HB2 . . . . . . . . . c19501_2mdq 1 . 13 . 2705 . 1 1 14 GLU HB3 H 10.147 2.180 -1.338 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HB3 . . . . . . . . . c19501_2mdq 1 . 13 . 2706 . 1 1 14 GLU HG2 H 7.994 1.710 -2.547 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HG2 . . . . . . . . . c19501_2mdq 1 . 13 . 2707 . 1 1 14 GLU HG3 H 7.856 3.447 -2.818 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HG3 . . . . . . . . . c19501_2mdq 1 . 13 . 2708 . 1 1 14 GLU N N 7.926 1.565 -0.024 . . . 1.0 . . . . . . . . . . . . A . 14 GLU N . . . . . . . . . c19501_2mdq 1 . 13 . 2709 . 1 1 14 GLU O O 7.846 5.144 0.077 . . . 1.0 . . . . . . . . . . . . A . 14 GLU O . . . . . . . . . c19501_2mdq 1 . 13 . 2710 . 1 1 14 GLU OE1 O 10.081 3.508 -4.245 . . . 1.0 . . . . . . . . . . . . A . 14 GLU OE1 . . . . . . . . . c19501_2mdq 1 . 13 . 2711 . 1 1 14 GLU OE2 O 9.514 1.422 -4.450 . . . 1.0 . . . . . . . . . . . . A . 14 GLU OE2 . . . . . . . . . c19501_2mdq 1 . 13 . 2712 . 1 1 15 ILE C C 4.563 4.404 1.361 . . . 1.0 . . . . . . . . . . . . A . 15 ILE C . . . . . . . . . c19501_2mdq 1 . 13 . 2713 . 1 1 15 ILE CA C 5.173 4.546 -0.021 . . . 1.0 . . . . . . . . . . . . A . 15 ILE CA . . . . . . . . . c19501_2mdq 1 . 13 . 2714 . 1 1 15 ILE CB C 4.081 4.337 -1.115 . . . 1.0 . . . . . . . . . . . . A . 15 ILE CB . . . . . . . . . c19501_2mdq 1 . 13 . 2715 . 1 1 15 ILE CD1 C 5.447 5.535 -2.945 . . . 1.0 . . . . . . . . . . . . A . 15 ILE CD1 . . . . . . . . . c19501_2mdq 1 . 13 . 2716 . 1 1 15 ILE CG1 C 4.707 4.276 -2.526 . . . 1.0 . . . . . . . . . . . . A . 15 ILE CG1 . . . . . . . . . c19501_2mdq 1 . 13 . 2717 . 1 1 15 ILE CG2 C 3.049 5.460 -1.055 . . . 1.0 . . . . . . . . . . . . A . 15 ILE CG2 . . . . . . . . . c19501_2mdq 1 . 13 . 2718 . 1 1 15 ILE H H 6.043 2.637 -0.232 . . . 1.0 . . . . . . . . . . . . A . 15 ILE H . . . . . . . . . c19501_2mdq 1 . 13 . 2719 . 1 1 15 ILE HA H 5.590 5.534 -0.104 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HA . . . . . . . . . c19501_2mdq 1 . 13 . 2720 . 1 1 15 ILE HB H 3.577 3.404 -0.913 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HB . . . . . . . . . c19501_2mdq 1 . 13 . 2721 . 1 1 15 ILE HD11 H 4.772 6.376 -2.915 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HD11 . . . . . . . . . c19501_2mdq 1 . 13 . 2722 . 1 1 15 ILE HD12 H 5.828 5.413 -3.948 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HD12 . . . . . . . . . c19501_2mdq 1 . 13 . 2723 . 1 1 15 ILE HD13 H 6.272 5.709 -2.268 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HD13 . . . . . . . . . c19501_2mdq 1 . 13 . 2724 . 1 1 15 ILE HG12 H 5.412 3.460 -2.562 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HG12 . . . . . . . . . c19501_2mdq 1 . 13 . 2725 . 1 1 15 ILE HG13 H 3.925 4.094 -3.249 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HG13 . . . . . . . . . c19501_2mdq 1 . 13 . 2726 . 1 1 15 ILE HG21 H 3.538 6.409 -1.222 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HG21 . . . . . . . . . c19501_2mdq 1 . 13 . 2727 . 1 1 15 ILE HG22 H 2.579 5.465 -0.082 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HG22 . . . . . . . . . c19501_2mdq 1 . 13 . 2728 . 1 1 15 ILE HG23 H 2.298 5.302 -1.816 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HG23 . . . . . . . . . c19501_2mdq 1 . 13 . 2729 . 1 1 15 ILE N N 6.244 3.591 -0.127 . . . 1.0 . . . . . . . . . . . . A . 15 ILE N . . . . . . . . . c19501_2mdq 1 . 13 . 2730 . 1 1 15 ILE O O 4.547 5.347 2.157 . . . 1.0 . . . . . . . . . . . . A . 15 ILE O . . . . . . . . . c19501_2mdq 1 . 13 . 2731 . 1 1 16 CYS C C 4.149 1.584 3.451 . . . 1.0 . . . . . . . . . . . . A . 16 CYS C . . . . . . . . . c19501_2mdq 1 . 13 . 2732 . 1 1 16 CYS CA C 3.537 2.878 2.904 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CA . . . . . . . . . c19501_2mdq 1 . 13 . 2733 . 1 1 16 CYS CB C 2.043 2.768 2.774 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CB . . . . . . . . . c19501_2mdq 1 . 13 . 2734 . 1 1 16 CYS H H 4.161 2.510 0.970 . . . 1.0 . . . . . . . . . . . . A . 16 CYS H . . . . . . . . . c19501_2mdq 1 . 13 . 2735 . 1 1 16 CYS HA H 3.758 3.683 3.583 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HA . . . . . . . . . c19501_2mdq 1 . 13 . 2736 . 1 1 16 CYS HB2 H 1.893 2.081 1.963 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB2 . . . . . . . . . c19501_2mdq 1 . 13 . 2737 . 1 1 16 CYS HB3 H 1.638 2.360 3.683 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB3 . . . . . . . . . c19501_2mdq 1 . 13 . 2738 . 1 1 16 CYS N N 4.115 3.218 1.646 . . . 1.0 . . . . . . . . . . . . A . 16 CYS N . . . . . . . . . c19501_2mdq 1 . 13 . 2739 . 1 1 16 CYS O O 5.078 1.623 4.251 . . . 1.0 . . . . . . . . . . . . A . 16 CYS O . . . . . . . . . c19501_2mdq 1 . 13 . 2740 . 1 1 16 CYS SG S 1.192 4.332 2.356 . . . 1.0 . . . . . . . . . . . . A . 16 CYS SG . . . . . . . . . c19501_2mdq 1 . 13 . 2741 . 1 1 17 NH2 HN1 H 2.912 0.432 2.374 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 HN1 . . . . . . . . . c19501_2mdq 1 . 13 . 2742 . 1 1 17 NH2 HN2 H 4.062 -0.386 3.356 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 HN2 . . . . . . . . . c19501_2mdq 1 . 13 . 2743 . 1 1 17 NH2 N N 3.654 0.437 3.015 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 N . . . . . . . . . c19501_2mdq 1 . 14 . 2744 . 1 1 1 GLY C C -3.988 3.757 -3.362 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c19501_2mdq 1 . 14 . 2745 . 1 1 1 GLY CA C -4.173 5.143 -3.903 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c19501_2mdq 1 . 14 . 2746 . 1 1 1 GLY H1 H -6.215 5.079 -3.816 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c19501_2mdq 1 . 14 . 2747 . 1 1 1 GLY H2 H -5.607 6.659 -3.784 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H2 . . . . . . . . . c19501_2mdq 1 . 14 . 2748 . 1 1 1 GLY H3 H -5.505 5.671 -2.413 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H3 . . . . . . . . . c19501_2mdq 1 . 14 . 2749 . 1 1 1 GLY HA2 H -4.148 5.103 -4.981 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c19501_2mdq 1 . 14 . 2750 . 1 1 1 GLY HA3 H -3.373 5.779 -3.555 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c19501_2mdq 1 . 14 . 2751 . 1 1 1 GLY N N -5.454 5.687 -3.455 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c19501_2mdq 1 . 14 . 2752 . 1 1 1 GLY O O -4.845 3.267 -2.631 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c19501_2mdq 1 . 14 . 2753 . 1 1 2 CYS C C -2.428 1.729 -1.721 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . c19501_2mdq 1 . 14 . 2754 . 1 1 2 CYS CA C -2.581 1.810 -3.193 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . c19501_2mdq 1 . 14 . 2755 . 1 1 2 CYS CB C -1.405 1.228 -3.882 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . c19501_2mdq 1 . 14 . 2756 . 1 1 2 CYS H H -2.190 3.555 -4.229 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . c19501_2mdq 1 . 14 . 2757 . 1 1 2 CYS HA H -3.434 1.221 -3.469 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . c19501_2mdq 1 . 14 . 2758 . 1 1 2 CYS HB2 H -0.825 2.083 -4.181 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . c19501_2mdq 1 . 14 . 2759 . 1 1 2 CYS HB3 H -0.841 0.607 -3.208 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . c19501_2mdq 1 . 14 . 2760 . 1 1 2 CYS N N -2.873 3.132 -3.664 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . c19501_2mdq 1 . 14 . 2761 . 1 1 2 CYS O O -2.609 0.701 -1.151 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . c19501_2mdq 1 . 14 . 2762 . 1 1 2 CYS SG S -1.818 0.306 -5.378 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . c19501_2mdq 1 . 14 . 2763 . 1 1 3 CYS C C -3.388 2.893 0.950 . . . 1.0 . . . . . . . . . . . . A . 3 CYS C . . . . . . . . . c19501_2mdq 1 . 14 . 2764 . 1 1 3 CYS CA C -2.031 2.841 0.304 . . . 1.0 . . . . . . . . . . . . A . 3 CYS CA . . . . . . . . . c19501_2mdq 1 . 14 . 2765 . 1 1 3 CYS CB C -1.146 3.943 0.761 . . . 1.0 . . . . . . . . . . . . A . 3 CYS CB . . . . . . . . . c19501_2mdq 1 . 14 . 2766 . 1 1 3 CYS H H -1.897 3.603 -1.642 . . . 1.0 . . . . . . . . . . . . A . 3 CYS H . . . . . . . . . c19501_2mdq 1 . 14 . 2767 . 1 1 3 CYS HA H -1.589 1.899 0.584 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HA . . . . . . . . . c19501_2mdq 1 . 14 . 2768 . 1 1 3 CYS HB2 H -1.332 4.790 0.115 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HB2 . . . . . . . . . c19501_2mdq 1 . 14 . 2769 . 1 1 3 CYS HB3 H -1.445 4.191 1.761 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HB3 . . . . . . . . . c19501_2mdq 1 . 14 . 2770 . 1 1 3 CYS N N -2.115 2.807 -1.113 . . . 1.0 . . . . . . . . . . . . A . 3 CYS N . . . . . . . . . c19501_2mdq 1 . 14 . 2771 . 1 1 3 CYS O O -3.587 2.393 2.056 . . . 1.0 . . . . . . . . . . . . A . 3 CYS O . . . . . . . . . c19501_2mdq 1 . 14 . 2772 . 1 1 3 CYS SG S 0.617 3.530 0.677 . . . 1.0 . . . . . . . . . . . . A . 3 CYS SG . . . . . . . . . c19501_2mdq 1 . 14 . 2773 . 1 1 4 SER C C -6.254 2.099 0.621 . . . 1.0 . . . . . . . . . . . . A . 4 SER C . . . . . . . . . c19501_2mdq 1 . 14 . 2774 . 1 1 4 SER CA C -5.686 3.525 0.677 . . . 1.0 . . . . . . . . . . . . A . 4 SER CA . . . . . . . . . c19501_2mdq 1 . 14 . 2775 . 1 1 4 SER CB C -6.456 4.412 -0.290 . . . 1.0 . . . . . . . . . . . . A . 4 SER CB . . . . . . . . . c19501_2mdq 1 . 14 . 2776 . 1 1 4 SER H H -4.008 3.924 -0.558 . . . 1.0 . . . . . . . . . . . . A . 4 SER H . . . . . . . . . c19501_2mdq 1 . 14 . 2777 . 1 1 4 SER HA H -5.749 3.927 1.677 . . . 1.0 . . . . . . . . . . . . A . 4 SER HA . . . . . . . . . c19501_2mdq 1 . 14 . 2778 . 1 1 4 SER HB2 H -6.653 3.853 -1.193 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB2 . . . . . . . . . c19501_2mdq 1 . 14 . 2779 . 1 1 4 SER HB3 H -7.388 4.719 0.159 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB3 . . . . . . . . . c19501_2mdq 1 . 14 . 2780 . 1 1 4 SER HG H -5.545 6.049 0.209 . . . 1.0 . . . . . . . . . . . . A . 4 SER HG . . . . . . . . . c19501_2mdq 1 . 14 . 2781 . 1 1 4 SER N N -4.303 3.476 0.259 . . . 1.0 . . . . . . . . . . . . A . 4 SER N . . . . . . . . . c19501_2mdq 1 . 14 . 2782 . 1 1 4 SER O O -7.135 1.727 1.392 . . . 1.0 . . . . . . . . . . . . A . 4 SER O . . . . . . . . . c19501_2mdq 1 . 14 . 2783 . 1 1 4 SER OG O -5.695 5.572 -0.621 . . . 1.0 . . . . . . . . . . . . A . 4 SER OG . . . . . . . . . c19501_2mdq 1 . 14 . 2784 . 1 1 5 HIS C C -5.228 -0.998 0.389 . . . 1.0 . . . . . . . . . . . . A . 5 HIS C . . . . . . . . . c19501_2mdq 1 . 14 . 2785 . 1 1 5 HIS CA C -6.071 -0.064 -0.499 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CA . . . . . . . . . c19501_2mdq 1 . 14 . 2786 . 1 1 5 HIS CB C -5.831 -0.411 -1.976 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CB . . . . . . . . . c19501_2mdq 1 . 14 . 2787 . 1 1 5 HIS CD2 C -7.951 0.799 -2.871 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CD2 . . . . . . . . . c19501_2mdq 1 . 14 . 2788 . 1 1 5 HIS CE1 C -7.198 1.456 -4.797 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CE1 . . . . . . . . . c19501_2mdq 1 . 14 . 2789 . 1 1 5 HIS CG C -6.661 0.385 -2.952 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CG . . . . . . . . . c19501_2mdq 1 . 14 . 2790 . 1 1 5 HIS H H -4.952 1.679 -0.803 . . . 1.0 . . . . . . . . . . . . A . 5 HIS H . . . . . . . . . c19501_2mdq 1 . 14 . 2791 . 1 1 5 HIS HA H -7.124 -0.165 -0.283 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HA . . . . . . . . . c19501_2mdq 1 . 14 . 2792 . 1 1 5 HIS HB2 H -4.793 -0.179 -2.172 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB2 . . . . . . . . . c19501_2mdq 1 . 14 . 2793 . 1 1 5 HIS HB3 H -5.994 -1.462 -2.149 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB3 . . . . . . . . . c19501_2mdq 1 . 14 . 2794 . 1 1 5 HIS HD1 H -5.321 0.663 -4.581 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD1 . . . . . . . . . c19501_2mdq 1 . 14 . 2795 . 1 1 5 HIS HD2 H -8.621 0.627 -2.041 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD2 . . . . . . . . . c19501_2mdq 1 . 14 . 2796 . 1 1 5 HIS HE1 H -7.121 1.892 -5.785 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HE1 . . . . . . . . . c19501_2mdq 1 . 14 . 2797 . 1 1 5 HIS N N -5.689 1.312 -0.272 . . . 1.0 . . . . . . . . . . . . A . 5 HIS N . . . . . . . . . c19501_2mdq 1 . 14 . 2798 . 1 1 5 HIS ND1 N -6.206 0.813 -4.183 . . . 1.0 . . . . . . . . . . . . A . 5 HIS ND1 . . . . . . . . . c19501_2mdq 1 . 14 . 2799 . 1 1 5 HIS NE2 N -8.287 1.480 -4.042 . . . 1.0 . . . . . . . . . . . . A . 5 HIS NE2 . . . . . . . . . c19501_2mdq 1 . 14 . 2800 . 1 1 5 HIS O O -4.032 -1.109 0.188 . . . 1.0 . . . . . . . . . . . . A . 5 HIS O . . . . . . . . . c19501_2mdq 1 . 14 . 2801 . 1 1 6 PRO C C -4.214 -3.603 1.615 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . c19501_2mdq 1 . 14 . 2802 . 1 1 6 PRO CA C -5.118 -2.568 2.307 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . c19501_2mdq 1 . 14 . 2803 . 1 1 6 PRO CB C -6.233 -3.284 3.087 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . c19501_2mdq 1 . 14 . 2804 . 1 1 6 PRO CD C -7.274 -1.644 1.680 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . c19501_2mdq 1 . 14 . 2805 . 1 1 6 PRO CG C -7.509 -2.939 2.390 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . c19501_2mdq 1 . 14 . 2806 . 1 1 6 PRO HA H -4.517 -1.992 2.993 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . c19501_2mdq 1 . 14 . 2807 . 1 1 6 PRO HB2 H -6.051 -4.348 3.062 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB2 . . . . . . . . . c19501_2mdq 1 . 14 . 2808 . 1 1 6 PRO HB3 H -6.238 -2.945 4.111 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . c19501_2mdq 1 . 14 . 2809 . 1 1 6 PRO HD2 H -7.866 -1.618 0.779 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD2 . . . . . . . . . c19501_2mdq 1 . 14 . 2810 . 1 1 6 PRO HD3 H -7.513 -0.806 2.318 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . c19501_2mdq 1 . 14 . 2811 . 1 1 6 PRO HG2 H -7.751 -3.710 1.674 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG2 . . . . . . . . . c19501_2mdq 1 . 14 . 2812 . 1 1 6 PRO HG3 H -8.305 -2.836 3.112 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . c19501_2mdq 1 . 14 . 2813 . 1 1 6 PRO N N -5.839 -1.683 1.373 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . c19501_2mdq 1 . 14 . 2814 . 1 1 6 PRO O O -3.084 -3.837 2.056 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . c19501_2mdq 1 . 14 . 2815 . 1 1 7 ALA C C -2.755 -4.685 -0.940 . . . 1.0 . . . . . . . . . . . . A . 7 ALA C . . . . . . . . . c19501_2mdq 1 . 14 . 2816 . 1 1 7 ALA CA C -3.961 -5.227 -0.171 . . . 1.0 . . . . . . . . . . . . A . 7 ALA CA . . . . . . . . . c19501_2mdq 1 . 14 . 2817 . 1 1 7 ALA CB C -4.884 -6.014 -1.092 . . . 1.0 . . . . . . . . . . . . A . 7 ALA CB . . . . . . . . . c19501_2mdq 1 . 14 . 2818 . 1 1 7 ALA H H -5.570 -3.900 0.187 . . . 1.0 . . . . . . . . . . . . A . 7 ALA H . . . . . . . . . c19501_2mdq 1 . 14 . 2819 . 1 1 7 ALA HA H -3.591 -5.907 0.581 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HA . . . . . . . . . c19501_2mdq 1 . 14 . 2820 . 1 1 7 ALA HB1 H -4.349 -6.854 -1.509 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB1 . . . . . . . . . c19501_2mdq 1 . 14 . 2821 . 1 1 7 ALA HB2 H -5.221 -5.375 -1.895 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB2 . . . . . . . . . c19501_2mdq 1 . 14 . 2822 . 1 1 7 ALA HB3 H -5.739 -6.369 -0.535 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB3 . . . . . . . . . c19501_2mdq 1 . 14 . 2823 . 1 1 7 ALA N N -4.695 -4.187 0.532 . . . 1.0 . . . . . . . . . . . . A . 7 ALA N . . . . . . . . . c19501_2mdq 1 . 14 . 2824 . 1 1 7 ALA O O -1.681 -5.283 -0.920 . . . 1.0 . . . . . . . . . . . . A . 7 ALA O . . . . . . . . . c19501_2mdq 1 . 14 . 2825 . 1 1 8 CYS C C -0.831 -2.233 -1.592 . . . 1.0 . . . . . . . . . . . . A . 8 CYS C . . . . . . . . . c19501_2mdq 1 . 14 . 2826 . 1 1 8 CYS CA C -1.859 -2.986 -2.432 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CA . . . . . . . . . c19501_2mdq 1 . 14 . 2827 . 1 1 8 CYS CB C -2.475 -2.036 -3.472 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CB . . . . . . . . . c19501_2mdq 1 . 14 . 2828 . 1 1 8 CYS H H -3.759 -3.049 -1.455 . . . 1.0 . . . . . . . . . . . . A . 8 CYS H . . . . . . . . . c19501_2mdq 1 . 14 . 2829 . 1 1 8 CYS HA H -1.372 -3.804 -2.940 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HA . . . . . . . . . c19501_2mdq 1 . 14 . 2830 . 1 1 8 CYS HB2 H -3.386 -2.465 -3.861 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB2 . . . . . . . . . c19501_2mdq 1 . 14 . 2831 . 1 1 8 CYS HB3 H -2.705 -1.116 -2.951 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB3 . . . . . . . . . c19501_2mdq 1 . 14 . 2832 . 1 1 8 CYS N N -2.915 -3.535 -1.567 . . . 1.0 . . . . . . . . . . . . A . 8 CYS N . . . . . . . . . c19501_2mdq 1 . 14 . 2833 . 1 1 8 CYS O O 0.315 -2.038 -2.001 . . . 1.0 . . . . . . . . . . . . A . 8 CYS O . . . . . . . . . c19501_2mdq 1 . 14 . 2834 . 1 1 8 CYS SG S -1.375 -1.621 -4.886 . . . 1.0 . . . . . . . . . . . . A . 8 CYS SG . . . . . . . . . c19501_2mdq 1 . 14 . 2835 . 1 1 9 ASN C C 0.867 -1.766 0.841 . . . 1.0 . . . . . . . . . . . . A . 9 ASN C . . . . . . . . . c19501_2mdq 1 . 14 . 2836 . 1 1 9 ASN CA C -0.463 -1.094 0.568 . . . 1.0 . . . . . . . . . . . . A . 9 ASN CA . . . . . . . . . c19501_2mdq 1 . 14 . 2837 . 1 1 9 ASN CB C -1.233 -1.044 1.871 . . . 1.0 . . . . . . . . . . . . A . 9 ASN CB . . . . . . . . . c19501_2mdq 1 . 14 . 2838 . 1 1 9 ASN CG C -0.675 -0.070 2.878 . . . 1.0 . . . . . . . . . . . . A . 9 ASN CG . . . . . . . . . c19501_2mdq 1 . 14 . 2839 . 1 1 9 ASN H H -2.177 -2.090 -0.148 . . . 1.0 . . . . . . . . . . . . A . 9 ASN H . . . . . . . . . c19501_2mdq 1 . 14 . 2840 . 1 1 9 ASN HA H -0.318 -0.087 0.220 . . . 1.0 . . . . . . . . . . . . A . 9 ASN HA . . . . . . . . . c19501_2mdq 1 . 14 . 2841 . 1 1 9 ASN HB2 H -2.266 -0.816 1.667 . . . 1.0 . . . . . . . . . . . . A . 9 ASN HB2 . . . . . . . . . c19501_2mdq 1 . 14 . 2842 . 1 1 9 ASN HB3 H -1.170 -2.037 2.283 . . . 1.0 . . . . . . . . . . . . A . 9 ASN HB3 . . . . . . . . . c19501_2mdq 1 . 14 . 2843 . 1 1 9 ASN HD21 H -2.054 1.234 2.390 . . . 1.0 . . . . . . . . . . . . A . 9 ASN HD21 . . . . . . . . . c19501_2mdq 1 . 14 . 2844 . 1 1 9 ASN HD22 H -0.942 1.726 3.617 . . . 1.0 . . . . . . . . . . . . A . 9 ASN HD22 . . . . . . . . . c19501_2mdq 1 . 14 . 2845 . 1 1 9 ASN N N -1.255 -1.861 -0.398 . . . 1.0 . . . . . . . . . . . . A . 9 ASN N . . . . . . . . . c19501_2mdq 1 . 14 . 2846 . 1 1 9 ASN ND2 N -1.277 1.069 2.969 . . . 1.0 . . . . . . . . . . . . A . 9 ASN ND2 . . . . . . . . . c19501_2mdq 1 . 14 . 2847 . 1 1 9 ASN O O 1.928 -1.128 0.850 . . . 1.0 . . . . . . . . . . . . A . 9 ASN O . . . . . . . . . c19501_2mdq 1 . 14 . 2848 . 1 1 9 ASN OD1 O 0.243 -0.383 3.618 . . . 1.0 . . . . . . . . . . . . A . 9 ASN OD1 . . . . . . . . . c19501_2mdq 1 . 14 . 2849 . 1 1 10 VAL C C 3.019 -3.897 0.332 . . . 1.0 . . . . . . . . . . . . A . 10 VAL C . . . . . . . . . c19501_2mdq 1 . 14 . 2850 . 1 1 10 VAL CA C 1.909 -3.894 1.394 . . . 1.0 . . . . . . . . . . . . A . 10 VAL CA . . . . . . . . . c19501_2mdq 1 . 14 . 2851 . 1 1 10 VAL CB C 1.448 -5.346 1.682 . . . 1.0 . . . . . . . . . . . . A . 10 VAL CB . . . . . . . . . c19501_2mdq 1 . 14 . 2852 . 1 1 10 VAL CG1 C 2.585 -6.210 2.212 . . . 1.0 . . . . . . . . . . . . A . 10 VAL CG1 . . . . . . . . . c19501_2mdq 1 . 14 . 2853 . 1 1 10 VAL CG2 C 0.264 -5.365 2.636 . . . 1.0 . . . . . . . . . . . . A . 10 VAL CG2 . . . . . . . . . c19501_2mdq 1 . 14 . 2854 . 1 1 10 VAL H H -0.101 -3.452 0.887 . . . 1.0 . . . . . . . . . . . . A . 10 VAL H . . . . . . . . . c19501_2mdq 1 . 14 . 2855 . 1 1 10 VAL HA H 2.316 -3.495 2.308 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HA . . . . . . . . . c19501_2mdq 1 . 14 . 2856 . 1 1 10 VAL HB H 1.126 -5.757 0.742 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HB . . . . . . . . . c19501_2mdq 1 . 14 . 2857 . 1 1 10 VAL HG11 H 2.946 -5.795 3.142 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG11 . . . . . . . . . c19501_2mdq 1 . 14 . 2858 . 1 1 10 VAL HG12 H 3.389 -6.229 1.492 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG12 . . . . . . . . . c19501_2mdq 1 . 14 . 2859 . 1 1 10 VAL HG13 H 2.229 -7.216 2.381 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG13 . . . . . . . . . c19501_2mdq 1 . 14 . 2860 . 1 1 10 VAL HG21 H 0.554 -4.906 3.569 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG21 . . . . . . . . . c19501_2mdq 1 . 14 . 2861 . 1 1 10 VAL HG22 H -0.036 -6.386 2.812 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG22 . . . . . . . . . c19501_2mdq 1 . 14 . 2862 . 1 1 10 VAL HG23 H -0.558 -4.814 2.203 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG23 . . . . . . . . . c19501_2mdq 1 . 14 . 2863 . 1 1 10 VAL N N 0.785 -3.060 1.019 . . . 1.0 . . . . . . . . . . . . A . 10 VAL N . . . . . . . . . c19501_2mdq 1 . 14 . 2864 . 1 1 10 VAL O O 4.196 -3.844 0.670 . . . 1.0 . . . . . . . . . . . . A . 10 VAL O . . . . . . . . . c19501_2mdq 1 . 14 . 2865 . 1 1 11 ASP C C 4.168 -2.603 -2.436 . . . 1.0 . . . . . . . . . . . . A . 11 ASP C . . . . . . . . . c19501_2mdq 1 . 14 . 2866 . 1 1 11 ASP CA C 3.682 -3.967 -1.991 . . . 1.0 . . . . . . . . . . . . A . 11 ASP CA . . . . . . . . . c19501_2mdq 1 . 14 . 2867 . 1 1 11 ASP CB C 3.312 -4.876 -3.193 . . . 1.0 . . . . . . . . . . . . A . 11 ASP CB . . . . . . . . . c19501_2mdq 1 . 14 . 2868 . 1 1 11 ASP CG C 2.110 -4.458 -4.011 . . . 1.0 . . . . . . . . . . . . A . 11 ASP CG . . . . . . . . . c19501_2mdq 1 . 14 . 2869 . 1 1 11 ASP H H 1.710 -3.816 -1.191 . . . 1.0 . . . . . . . . . . . . A . 11 ASP H . . . . . . . . . c19501_2mdq 1 . 14 . 2870 . 1 1 11 ASP HA H 4.529 -4.411 -1.486 . . . 1.0 . . . . . . . . . . . . A . 11 ASP HA . . . . . . . . . c19501_2mdq 1 . 14 . 2871 . 1 1 11 ASP HB2 H 4.155 -4.903 -3.868 . . . 1.0 . . . . . . . . . . . . A . 11 ASP HB2 . . . . . . . . . c19501_2mdq 1 . 14 . 2872 . 1 1 11 ASP HB3 H 3.144 -5.878 -2.827 . . . 1.0 . . . . . . . . . . . . A . 11 ASP HB3 . . . . . . . . . c19501_2mdq 1 . 14 . 2873 . 1 1 11 ASP N N 2.658 -3.895 -0.944 . . . 1.0 . . . . . . . . . . . . A . 11 ASP N . . . . . . . . . c19501_2mdq 1 . 14 . 2874 . 1 1 11 ASP O O 4.860 -2.479 -3.447 . . . 1.0 . . . . . . . . . . . . A . 11 ASP O . . . . . . . . . c19501_2mdq 1 . 14 . 2875 . 1 1 11 ASP OD1 O 0.976 -4.831 -3.640 . . . 1.0 . . . . . . . . . . . . A . 11 ASP OD1 . . . . . . . . . c19501_2mdq 1 . 14 . 2876 . 1 1 11 ASP OD2 O 2.278 -3.880 -5.102 . . . 1.0 . . . . . . . . . . . . A . 11 ASP OD2 . . . . . . . . . c19501_2mdq 1 . 14 . 2877 . 1 1 12 HIS C C 5.262 0.111 -0.674 . . . 1.0 . . . . . . . . . . . . A . 12 HIS C . . . . . . . . . c19501_2mdq 1 . 14 . 2878 . 1 1 12 HIS CA C 4.377 -0.272 -1.865 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CA . . . . . . . . . c19501_2mdq 1 . 14 . 2879 . 1 1 12 HIS CB C 3.265 0.739 -2.057 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CB . . . . . . . . . c19501_2mdq 1 . 14 . 2880 . 1 1 12 HIS CD2 C 1.880 -0.222 -4.027 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CD2 . . . . . . . . . c19501_2mdq 1 . 14 . 2881 . 1 1 12 HIS CE1 C 2.087 1.418 -5.424 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CE1 . . . . . . . . . c19501_2mdq 1 . 14 . 2882 . 1 1 12 HIS CG C 2.636 0.723 -3.419 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CG . . . . . . . . . c19501_2mdq 1 . 14 . 2883 . 1 1 12 HIS H H 3.214 -1.675 -0.920 . . . 1.0 . . . . . . . . . . . . A . 12 HIS H . . . . . . . . . c19501_2mdq 1 . 14 . 2884 . 1 1 12 HIS HA H 4.979 -0.306 -2.757 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HA . . . . . . . . . c19501_2mdq 1 . 14 . 2885 . 1 1 12 HIS HB2 H 2.506 0.489 -1.338 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HB2 . . . . . . . . . c19501_2mdq 1 . 14 . 2886 . 1 1 12 HIS HB3 H 3.651 1.718 -1.839 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HB3 . . . . . . . . . c19501_2mdq 1 . 14 . 2887 . 1 1 12 HIS HD1 H 3.257 2.586 -4.205 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HD1 . . . . . . . . . c19501_2mdq 1 . 14 . 2888 . 1 1 12 HIS HD2 H 1.582 -1.167 -3.592 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HD2 . . . . . . . . . c19501_2mdq 1 . 14 . 2889 . 1 1 12 HIS HE1 H 2.019 2.039 -6.304 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HE1 . . . . . . . . . c19501_2mdq 1 . 14 . 2890 . 1 1 12 HIS N N 3.846 -1.585 -1.664 . . . 1.0 . . . . . . . . . . . . A . 12 HIS N . . . . . . . . . c19501_2mdq 1 . 14 . 2891 . 1 1 12 HIS ND1 N 2.752 1.753 -4.324 . . . 1.0 . . . . . . . . . . . . A . 12 HIS ND1 . . . . . . . . . c19501_2mdq 1 . 14 . 2892 . 1 1 12 HIS NE2 N 1.535 0.224 -5.302 . . . 1.0 . . . . . . . . . . . . A . 12 HIS NE2 . . . . . . . . . c19501_2mdq 1 . 14 . 2893 . 1 1 12 HIS O O 4.836 0.858 0.210 . . . 1.0 . . . . . . . . . . . . A . 12 HIS O . . . . . . . . . c19501_2mdq 1 . 14 . 2894 . 1 1 13 PRO C C 7.937 1.153 0.691 . . . 1.0 . . . . . . . . . . . . A . 13 PRO C . . . . . . . . . c19501_2mdq 1 . 14 . 2895 . 1 1 13 PRO CA C 7.414 -0.247 0.527 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CA . . . . . . . . . c19501_2mdq 1 . 14 . 2896 . 1 1 13 PRO CB C 8.576 -1.210 0.229 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CB . . . . . . . . . c19501_2mdq 1 . 14 . 2897 . 1 1 13 PRO CD C 7.192 -1.115 -1.715 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CD . . . . . . . . . c19501_2mdq 1 . 14 . 2898 . 1 1 13 PRO CG C 8.176 -1.970 -0.993 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CG . . . . . . . . . c19501_2mdq 1 . 14 . 2899 . 1 1 13 PRO HA H 6.925 -0.538 1.437 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HA . . . . . . . . . c19501_2mdq 1 . 14 . 2900 . 1 1 13 PRO HB2 H 9.472 -0.635 0.054 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HB2 . . . . . . . . . c19501_2mdq 1 . 14 . 2901 . 1 1 13 PRO HB3 H 8.730 -1.871 1.068 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HB3 . . . . . . . . . c19501_2mdq 1 . 14 . 2902 . 1 1 13 PRO HD2 H 7.712 -0.418 -2.353 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HD2 . . . . . . . . . c19501_2mdq 1 . 14 . 2903 . 1 1 13 PRO HD3 H 6.494 -1.717 -2.277 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HD3 . . . . . . . . . c19501_2mdq 1 . 14 . 2904 . 1 1 13 PRO HG2 H 9.041 -2.153 -1.613 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HG2 . . . . . . . . . c19501_2mdq 1 . 14 . 2905 . 1 1 13 PRO HG3 H 7.722 -2.907 -0.713 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HG3 . . . . . . . . . c19501_2mdq 1 . 14 . 2906 . 1 1 13 PRO N N 6.522 -0.393 -0.633 . . . 1.0 . . . . . . . . . . . . A . 13 PRO N . . . . . . . . . c19501_2mdq 1 . 14 . 2907 . 1 1 13 PRO O O 8.225 1.601 1.787 . . . 1.0 . . . . . . . . . . . . A . 13 PRO O . . . . . . . . . c19501_2mdq 1 . 14 . 2908 . 1 1 14 GLU C C 7.453 4.179 -0.109 . . . 1.0 . . . . . . . . . . . . A . 14 GLU C . . . . . . . . . c19501_2mdq 1 . 14 . 2909 . 1 1 14 GLU CA C 8.532 3.163 -0.442 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CA . . . . . . . . . c19501_2mdq 1 . 14 . 2910 . 1 1 14 GLU CB C 9.107 3.441 -1.812 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CB . . . . . . . . . c19501_2mdq 1 . 14 . 2911 . 1 1 14 GLU CD C 8.684 3.649 -4.273 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CD . . . . . . . . . c19501_2mdq 1 . 14 . 2912 . 1 1 14 GLU CG C 8.146 3.180 -2.955 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CG . . . . . . . . . c19501_2mdq 1 . 14 . 2913 . 1 1 14 GLU H H 7.741 1.422 -1.235 . . . 1.0 . . . . . . . . . . . . A . 14 GLU H . . . . . . . . . c19501_2mdq 1 . 14 . 2914 . 1 1 14 GLU HA H 9.330 3.246 0.281 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HA . . . . . . . . . c19501_2mdq 1 . 14 . 2915 . 1 1 14 GLU HB2 H 9.347 4.487 -1.834 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HB2 . . . . . . . . . c19501_2mdq 1 . 14 . 2916 . 1 1 14 GLU HB3 H 10.001 2.855 -1.962 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HB3 . . . . . . . . . c19501_2mdq 1 . 14 . 2917 . 1 1 14 GLU HG2 H 7.962 2.116 -3.018 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HG2 . . . . . . . . . c19501_2mdq 1 . 14 . 2918 . 1 1 14 GLU HG3 H 7.219 3.696 -2.753 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HG3 . . . . . . . . . c19501_2mdq 1 . 14 . 2919 . 1 1 14 GLU N N 8.028 1.836 -0.401 . . . 1.0 . . . . . . . . . . . . A . 14 GLU N . . . . . . . . . c19501_2mdq 1 . 14 . 2920 . 1 1 14 GLU O O 7.748 5.359 0.108 . . . 1.0 . . . . . . . . . . . . A . 14 GLU O . . . . . . . . . c19501_2mdq 1 . 14 . 2921 . 1 1 14 GLU OE1 O 9.464 2.918 -4.910 . . . 1.0 . . . . . . . . . . . . A . 14 GLU OE1 . . . . . . . . . c19501_2mdq 1 . 14 . 2922 . 1 1 14 GLU OE2 O 8.347 4.776 -4.690 . . . 1.0 . . . . . . . . . . . . A . 14 GLU OE2 . . . . . . . . . c19501_2mdq 1 . 14 . 2923 . 1 1 15 ILE C C 4.598 4.341 1.618 . . . 1.0 . . . . . . . . . . . . A . 15 ILE C . . . . . . . . . c19501_2mdq 1 . 14 . 2924 . 1 1 15 ILE CA C 5.115 4.638 0.226 . . . 1.0 . . . . . . . . . . . . A . 15 ILE CA . . . . . . . . . c19501_2mdq 1 . 14 . 2925 . 1 1 15 ILE CB C 3.942 4.521 -0.796 . . . 1.0 . . . . . . . . . . . . A . 15 ILE CB . . . . . . . . . c19501_2mdq 1 . 14 . 2926 . 1 1 15 ILE CD1 C 5.173 5.837 -2.649 . . . 1.0 . . . . . . . . . . . . A . 15 ILE CD1 . . . . . . . . . c19501_2mdq 1 . 14 . 2927 . 1 1 15 ILE CG1 C 4.451 4.560 -2.253 . . . 1.0 . . . . . . . . . . . . A . 15 ILE CG1 . . . . . . . . . c19501_2mdq 1 . 14 . 2928 . 1 1 15 ILE CG2 C 2.933 5.655 -0.575 . . . 1.0 . . . . . . . . . . . . A . 15 ILE CG2 . . . . . . . . . c19501_2mdq 1 . 14 . 2929 . 1 1 15 ILE H H 6.032 2.781 -0.212 . . . 1.0 . . . . . . . . . . . . A . 15 ILE H . . . . . . . . . c19501_2mdq 1 . 14 . 2930 . 1 1 15 ILE HA H 5.498 5.643 0.220 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HA . . . . . . . . . c19501_2mdq 1 . 14 . 2931 . 1 1 15 ILE HB H 3.435 3.584 -0.621 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HB . . . . . . . . . c19501_2mdq 1 . 14 . 2932 . 1 1 15 ILE HD11 H 6.039 5.972 -2.017 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HD11 . . . . . . . . . c19501_2mdq 1 . 14 . 2933 . 1 1 15 ILE HD12 H 4.505 6.677 -2.529 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HD12 . . . . . . . . . c19501_2mdq 1 . 14 . 2934 . 1 1 15 ILE HD13 H 5.487 5.766 -3.680 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HD13 . . . . . . . . . c19501_2mdq 1 . 14 . 2935 . 1 1 15 ILE HG12 H 5.134 3.739 -2.403 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HG12 . . . . . . . . . c19501_2mdq 1 . 14 . 2936 . 1 1 15 ILE HG13 H 3.608 4.433 -2.918 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HG13 . . . . . . . . . c19501_2mdq 1 . 14 . 2937 . 1 1 15 ILE HG21 H 2.124 5.557 -1.283 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HG21 . . . . . . . . . c19501_2mdq 1 . 14 . 2938 . 1 1 15 ILE HG22 H 3.421 6.609 -0.715 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HG22 . . . . . . . . . c19501_2mdq 1 . 14 . 2939 . 1 1 15 ILE HG23 H 2.542 5.597 0.431 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HG23 . . . . . . . . . c19501_2mdq 1 . 14 . 2940 . 1 1 15 ILE N N 6.209 3.734 -0.070 . . . 1.0 . . . . . . . . . . . . A . 15 ILE N . . . . . . . . . c19501_2mdq 1 . 14 . 2941 . 1 1 15 ILE O O 4.522 5.222 2.481 . . . 1.0 . . . . . . . . . . . . A . 15 ILE O . . . . . . . . . c19501_2mdq 1 . 14 . 2942 . 1 1 16 CYS C C 4.550 1.415 3.590 . . . 1.0 . . . . . . . . . . . . A . 16 CYS C . . . . . . . . . c19501_2mdq 1 . 14 . 2943 . 1 1 16 CYS CA C 3.766 2.630 3.076 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CA . . . . . . . . . c19501_2mdq 1 . 14 . 2944 . 1 1 16 CYS CB C 2.300 2.322 2.922 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CB . . . . . . . . . c19501_2mdq 1 . 14 . 2945 . 1 1 16 CYS H H 4.400 2.441 1.120 . . . 1.0 . . . . . . . . . . . . A . 16 CYS H . . . . . . . . . c19501_2mdq 1 . 14 . 2946 . 1 1 16 CYS HA H 3.863 3.436 3.781 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HA . . . . . . . . . c19501_2mdq 1 . 14 . 2947 . 1 1 16 CYS HB2 H 2.249 1.672 2.067 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB2 . . . . . . . . . c19501_2mdq 1 . 14 . 2948 . 1 1 16 CYS HB3 H 1.943 1.809 3.797 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB3 . . . . . . . . . c19501_2mdq 1 . 14 . 2949 . 1 1 16 CYS N N 4.287 3.099 1.834 . . . 1.0 . . . . . . . . . . . . A . 16 CYS N . . . . . . . . . c19501_2mdq 1 . 14 . 2950 . 1 1 16 CYS O O 5.440 1.551 4.429 . . . 1.0 . . . . . . . . . . . . A . 16 CYS O . . . . . . . . . c19501_2mdq 1 . 14 . 2951 . 1 1 16 CYS SG S 1.252 3.782 2.585 . . . 1.0 . . . . . . . . . . . . A . 16 CYS SG . . . . . . . . . c19501_2mdq 1 . 14 . 2952 . 1 1 17 NH2 HN1 H 3.525 0.165 2.422 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 HN1 . . . . . . . . . c19501_2mdq 1 . 14 . 2953 . 1 1 17 NH2 HN2 H 4.748 -0.543 3.409 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 HN2 . . . . . . . . . c19501_2mdq 1 . 14 . 2954 . 1 1 17 NH2 N N 4.240 0.231 3.088 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 N . . . . . . . . . c19501_2mdq 1 . 15 . 2955 . 1 1 1 GLY C C -3.988 4.683 -2.725 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c19501_2mdq 1 . 15 . 2956 . 1 1 1 GLY CA C -4.153 6.058 -3.306 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c19501_2mdq 1 . 15 . 2957 . 1 1 1 GLY H1 H -5.626 7.192 -4.230 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c19501_2mdq 1 . 15 . 2958 . 1 1 1 GLY H2 H -6.189 6.163 -3.020 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H2 . . . . . . . . . c19501_2mdq 1 . 15 . 2959 . 1 1 1 GLY H3 H -5.733 5.530 -4.524 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H3 . . . . . . . . . c19501_2mdq 1 . 15 . 2960 . 1 1 1 GLY HA2 H -3.464 6.175 -4.128 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c19501_2mdq 1 . 15 . 2961 . 1 1 1 GLY HA3 H -3.936 6.803 -2.556 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c19501_2mdq 1 . 15 . 2962 . 1 1 1 GLY N N -5.515 6.251 -3.806 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c19501_2mdq 1 . 15 . 2963 . 1 1 1 GLY O O -4.907 4.165 -2.077 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c19501_2mdq 1 . 15 . 2964 . 1 1 2 CYS C C -2.476 2.576 -1.003 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . c19501_2mdq 1 . 15 . 2965 . 1 1 2 CYS CA C -2.533 2.757 -2.490 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . c19501_2mdq 1 . 15 . 2966 . 1 1 2 CYS CB C -1.292 2.260 -3.121 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . c19501_2mdq 1 . 15 . 2967 . 1 1 2 CYS H H -2.097 4.565 -3.386 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . c19501_2mdq 1 . 15 . 2968 . 1 1 2 CYS HA H -3.336 2.166 -2.882 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . c19501_2mdq 1 . 15 . 2969 . 1 1 2 CYS HB2 H -0.683 3.145 -3.167 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . c19501_2mdq 1 . 15 . 2970 . 1 1 2 CYS HB3 H -0.842 1.533 -2.473 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . c19501_2mdq 1 . 15 . 2971 . 1 1 2 CYS N N -2.823 4.094 -2.922 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . c19501_2mdq 1 . 15 . 2972 . 1 1 2 CYS O O -2.522 1.464 -0.511 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . c19501_2mdq 1 . 15 . 2973 . 1 1 2 CYS SG S -1.518 1.620 -4.818 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . c19501_2mdq 1 . 15 . 2974 . 1 1 3 CYS C C -3.744 3.151 1.653 . . . 1.0 . . . . . . . . . . . . A . 3 CYS C . . . . . . . . . c19501_2mdq 1 . 15 . 2975 . 1 1 3 CYS CA C -2.379 3.570 1.136 . . . 1.0 . . . . . . . . . . . . A . 3 CYS CA . . . . . . . . . c19501_2mdq 1 . 15 . 2976 . 1 1 3 CYS CB C -1.942 4.869 1.751 . . . 1.0 . . . . . . . . . . . . A . 3 CYS CB . . . . . . . . . c19501_2mdq 1 . 15 . 2977 . 1 1 3 CYS H H -2.221 4.493 -0.744 . . . 1.0 . . . . . . . . . . . . A . 3 CYS H . . . . . . . . . c19501_2mdq 1 . 15 . 2978 . 1 1 3 CYS HA H -1.685 2.792 1.394 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HA . . . . . . . . . c19501_2mdq 1 . 15 . 2979 . 1 1 3 CYS HB2 H -2.457 5.652 1.220 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HB2 . . . . . . . . . c19501_2mdq 1 . 15 . 2980 . 1 1 3 CYS HB3 H -2.282 4.862 2.765 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HB3 . . . . . . . . . c19501_2mdq 1 . 15 . 2981 . 1 1 3 CYS N N -2.366 3.635 -0.294 . . . 1.0 . . . . . . . . . . . . A . 3 CYS N . . . . . . . . . c19501_2mdq 1 . 15 . 2982 . 1 1 3 CYS O O -3.856 2.430 2.639 . . . 1.0 . . . . . . . . . . . . A . 3 CYS O . . . . . . . . . c19501_2mdq 1 . 15 . 2983 . 1 1 3 CYS SG S -0.164 5.285 1.649 . . . 1.0 . . . . . . . . . . . . A . 3 CYS SG . . . . . . . . . c19501_2mdq 1 . 15 . 2984 . 1 1 4 SER C C -6.492 1.858 0.556 . . . 1.0 . . . . . . . . . . . . A . 4 SER C . . . . . . . . . c19501_2mdq 1 . 15 . 2985 . 1 1 4 SER CA C -6.138 3.204 1.242 . . . 1.0 . . . . . . . . . . . . A . 4 SER CA . . . . . . . . . c19501_2mdq 1 . 15 . 2986 . 1 1 4 SER CB C -7.057 4.309 0.724 . . . 1.0 . . . . . . . . . . . . A . 4 SER CB . . . . . . . . . c19501_2mdq 1 . 15 . 2987 . 1 1 4 SER H H -4.523 4.181 0.222 . . . 1.0 . . . . . . . . . . . . A . 4 SER H . . . . . . . . . c19501_2mdq 1 . 15 . 2988 . 1 1 4 SER HA H -6.255 3.113 2.312 . . . 1.0 . . . . . . . . . . . . A . 4 SER HA . . . . . . . . . c19501_2mdq 1 . 15 . 2989 . 1 1 4 SER HB2 H -7.001 4.356 -0.353 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB2 . . . . . . . . . c19501_2mdq 1 . 15 . 2990 . 1 1 4 SER HB3 H -8.071 4.094 1.026 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB3 . . . . . . . . . c19501_2mdq 1 . 15 . 2991 . 1 1 4 SER HG H -5.952 5.409 1.867 . . . 1.0 . . . . . . . . . . . . A . 4 SER HG . . . . . . . . . c19501_2mdq 1 . 15 . 2992 . 1 1 4 SER N N -4.751 3.570 0.956 . . . 1.0 . . . . . . . . . . . . A . 4 SER N . . . . . . . . . c19501_2mdq 1 . 15 . 2993 . 1 1 4 SER O O -7.667 1.487 0.434 . . . 1.0 . . . . . . . . . . . . A . 4 SER O . . . . . . . . . c19501_2mdq 1 . 15 . 2994 . 1 1 4 SER OG O -6.685 5.567 1.258 . . . 1.0 . . . . . . . . . . . . A . 4 SER OG . . . . . . . . . c19501_2mdq 1 . 15 . 2995 . 1 1 5 HIS C C -4.642 -1.129 0.058 . . . 1.0 . . . . . . . . . . . . A . 5 HIS C . . . . . . . . . c19501_2mdq 1 . 15 . 2996 . 1 1 5 HIS CA C -5.577 -0.111 -0.576 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CA . . . . . . . . . c19501_2mdq 1 . 15 . 2997 . 1 1 5 HIS CB C -5.181 0.072 -2.042 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CB . . . . . . . . . c19501_2mdq 1 . 15 . 2998 . 1 1 5 HIS CD2 C -6.691 1.914 -3.063 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CD2 . . . . . . . . . c19501_2mdq 1 . 15 . 2999 . 1 1 5 HIS CE1 C -7.794 0.712 -4.490 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CE1 . . . . . . . . . c19501_2mdq 1 . 15 . 3000 . 1 1 5 HIS CG C -6.241 0.647 -2.936 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CG . . . . . . . . . c19501_2mdq 1 . 15 . 3001 . 1 1 5 HIS H H -4.561 1.494 0.287 . . . 1.0 . . . . . . . . . . . . A . 5 HIS H . . . . . . . . . c19501_2mdq 1 . 15 . 3002 . 1 1 5 HIS HA H -6.599 -0.457 -0.529 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HA . . . . . . . . . c19501_2mdq 1 . 15 . 3003 . 1 1 5 HIS HB2 H -4.355 0.770 -2.005 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB2 . . . . . . . . . c19501_2mdq 1 . 15 . 3004 . 1 1 5 HIS HB3 H -4.819 -0.859 -2.451 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB3 . . . . . . . . . c19501_2mdq 1 . 15 . 3005 . 1 1 5 HIS HD1 H -6.864 -1.066 -4.008 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD1 . . . . . . . . . c19501_2mdq 1 . 15 . 3006 . 1 1 5 HIS HD2 H -6.336 2.765 -2.497 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD2 . . . . . . . . . c19501_2mdq 1 . 15 . 3007 . 1 1 5 HIS HE1 H -8.478 0.394 -5.265 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HE1 . . . . . . . . . c19501_2mdq 1 . 15 . 3008 . 1 1 5 HIS N N -5.466 1.155 0.120 . . . 1.0 . . . . . . . . . . . . A . 5 HIS N . . . . . . . . . c19501_2mdq 1 . 15 . 3009 . 1 1 5 HIS ND1 N -6.953 -0.100 -3.850 . . . 1.0 . . . . . . . . . . . . A . 5 HIS ND1 . . . . . . . . . c19501_2mdq 1 . 15 . 3010 . 1 1 5 HIS NE2 N -7.679 1.956 -4.048 . . . 1.0 . . . . . . . . . . . . A . 5 HIS NE2 . . . . . . . . . c19501_2mdq 1 . 15 . 3011 . 1 1 5 HIS O O -3.477 -1.168 -0.292 . . . 1.0 . . . . . . . . . . . . A . 5 HIS O . . . . . . . . . c19501_2mdq 1 . 15 . 3012 . 1 1 6 PRO C C -3.404 -3.792 0.846 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . c19501_2mdq 1 . 15 . 3013 . 1 1 6 PRO CA C -4.305 -2.933 1.740 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . c19501_2mdq 1 . 15 . 3014 . 1 1 6 PRO CB C -5.334 -3.800 2.451 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . c19501_2mdq 1 . 15 . 3015 . 1 1 6 PRO CD C -6.540 -2.010 1.434 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . c19501_2mdq 1 . 15 . 3016 . 1 1 6 PRO CG C -6.496 -2.899 2.646 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . c19501_2mdq 1 . 15 . 3017 . 1 1 6 PRO HA H -3.686 -2.433 2.469 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . c19501_2mdq 1 . 15 . 3018 . 1 1 6 PRO HB2 H -5.581 -4.651 1.833 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB2 . . . . . . . . . c19501_2mdq 1 . 15 . 3019 . 1 1 6 PRO HB3 H -4.933 -4.135 3.396 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . c19501_2mdq 1 . 15 . 3020 . 1 1 6 PRO HD2 H -7.166 -2.444 0.668 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD2 . . . . . . . . . c19501_2mdq 1 . 15 . 3021 . 1 1 6 PRO HD3 H -6.895 -1.026 1.698 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . c19501_2mdq 1 . 15 . 3022 . 1 1 6 PRO HG2 H -7.404 -3.480 2.721 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG2 . . . . . . . . . c19501_2mdq 1 . 15 . 3023 . 1 1 6 PRO HG3 H -6.354 -2.308 3.538 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . c19501_2mdq 1 . 15 . 3024 . 1 1 6 PRO N N -5.133 -1.956 0.996 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . c19501_2mdq 1 . 15 . 3025 . 1 1 6 PRO O O -2.190 -3.876 1.078 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . c19501_2mdq 1 . 15 . 3026 . 1 1 7 ALA C C -2.143 -4.470 -1.845 . . . 1.0 . . . . . . . . . . . . A . 7 ALA C . . . . . . . . . c19501_2mdq 1 . 15 . 3027 . 1 1 7 ALA CA C -3.230 -5.228 -1.106 . . . 1.0 . . . . . . . . . . . . A . 7 ALA CA . . . . . . . . . c19501_2mdq 1 . 15 . 3028 . 1 1 7 ALA CB C -4.152 -5.939 -2.084 . . . 1.0 . . . . . . . . . . . . A . 7 ALA CB . . . . . . . . . c19501_2mdq 1 . 15 . 3029 . 1 1 7 ALA H H -4.932 -4.206 -0.356 . . . 1.0 . . . . . . . . . . . . A . 7 ALA H . . . . . . . . . c19501_2mdq 1 . 15 . 3030 . 1 1 7 ALA HA H -2.742 -5.977 -0.501 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HA . . . . . . . . . c19501_2mdq 1 . 15 . 3031 . 1 1 7 ALA HB1 H -3.582 -6.651 -2.663 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB1 . . . . . . . . . c19501_2mdq 1 . 15 . 3032 . 1 1 7 ALA HB2 H -4.597 -5.216 -2.750 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB2 . . . . . . . . . c19501_2mdq 1 . 15 . 3033 . 1 1 7 ALA HB3 H -4.928 -6.457 -1.540 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB3 . . . . . . . . . c19501_2mdq 1 . 15 . 3034 . 1 1 7 ALA N N -3.975 -4.363 -0.202 . . . 1.0 . . . . . . . . . . . . A . 7 ALA N . . . . . . . . . c19501_2mdq 1 . 15 . 3035 . 1 1 7 ALA O O -1.081 -5.023 -2.126 . . . 1.0 . . . . . . . . . . . . A . 7 ALA O . . . . . . . . . c19501_2mdq 1 . 15 . 3036 . 1 1 8 CYS C C -0.381 -1.846 -1.847 . . . 1.0 . . . . . . . . . . . . A . 8 CYS C . . . . . . . . . c19501_2mdq 1 . 15 . 3037 . 1 1 8 CYS CA C -1.380 -2.403 -2.844 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CA . . . . . . . . . c19501_2mdq 1 . 15 . 3038 . 1 1 8 CYS CB C -2.036 -1.223 -3.608 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CB . . . . . . . . . c19501_2mdq 1 . 15 . 3039 . 1 1 8 CYS H H -3.236 -2.801 -1.864 . . . 1.0 . . . . . . . . . . . . A . 8 CYS H . . . . . . . . . c19501_2mdq 1 . 15 . 3040 . 1 1 8 CYS HA H -0.867 -3.040 -3.547 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HA . . . . . . . . . c19501_2mdq 1 . 15 . 3041 . 1 1 8 CYS HB2 H -2.874 -1.584 -4.184 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB2 . . . . . . . . . c19501_2mdq 1 . 15 . 3042 . 1 1 8 CYS HB3 H -2.387 -0.516 -2.869 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB3 . . . . . . . . . c19501_2mdq 1 . 15 . 3043 . 1 1 8 CYS N N -2.381 -3.201 -2.136 . . . 1.0 . . . . . . . . . . . . A . 8 CYS N . . . . . . . . . c19501_2mdq 1 . 15 . 3044 . 1 1 8 CYS O O 0.736 -1.543 -2.176 . . . 1.0 . . . . . . . . . . . . A . 8 CYS O . . . . . . . . . c19501_2mdq 1 . 15 . 3045 . 1 1 8 CYS SG S -0.885 -0.323 -4.747 . . . 1.0 . . . . . . . . . . . . A . 8 CYS SG . . . . . . . . . c19501_2mdq 1 . 15 . 3046 . 1 1 9 ASN C C 1.049 -2.102 0.936 . . . 1.0 . . . . . . . . . . . . A . 9 ASN C . . . . . . . . . c19501_2mdq 1 . 15 . 3047 . 1 1 9 ASN CA C -0.002 -1.160 0.412 . . . 1.0 . . . . . . . . . . . . A . 9 ASN CA . . . . . . . . . c19501_2mdq 1 . 15 . 3048 . 1 1 9 ASN CB C -0.947 -0.761 1.530 . . . 1.0 . . . . . . . . . . . . A . 9 ASN CB . . . . . . . . . c19501_2mdq 1 . 15 . 3049 . 1 1 9 ASN CG C -0.376 0.155 2.589 . . . 1.0 . . . . . . . . . . . . A . 9 ASN CG . . . . . . . . . c19501_2mdq 1 . 15 . 3050 . 1 1 9 ASN H H -1.657 -2.170 -0.394 . . . 1.0 . . . . . . . . . . . . A . 9 ASN H . . . . . . . . . c19501_2mdq 1 . 15 . 3051 . 1 1 9 ASN HA H 0.449 -0.276 0.001 . . . 1.0 . . . . . . . . . . . . A . 9 ASN HA . . . . . . . . . c19501_2mdq 1 . 15 . 3052 . 1 1 9 ASN HB2 H -1.848 -0.335 1.120 . . . 1.0 . . . . . . . . . . . . A . 9 ASN HB2 . . . . . . . . . c19501_2mdq 1 . 15 . 3053 . 1 1 9 ASN HB3 H -1.212 -1.692 2.002 . . . 1.0 . . . . . . . . . . . . A . 9 ASN HB3 . . . . . . . . . c19501_2mdq 1 . 15 . 3054 . 1 1 9 ASN HD21 H -2.155 0.958 2.807 . . . 1.0 . . . . . . . . . . . . A . 9 ASN HD21 . . . . . . . . . c19501_2mdq 1 . 15 . 3055 . 1 1 9 ASN HD22 H -0.913 1.604 3.817 . . . 1.0 . . . . . . . . . . . . A . 9 ASN HD22 . . . . . . . . . c19501_2mdq 1 . 15 . 3056 . 1 1 9 ASN N N -0.780 -1.792 -0.624 . . . 1.0 . . . . . . . . . . . . A . 9 ASN N . . . . . . . . . c19501_2mdq 1 . 15 . 3057 . 1 1 9 ASN ND2 N -1.226 0.986 3.123 . . . 1.0 . . . . . . . . . . . . A . 9 ASN ND2 . . . . . . . . . c19501_2mdq 1 . 15 . 3058 . 1 1 9 ASN O O 2.225 -1.751 1.033 . . . 1.0 . . . . . . . . . . . . A . 9 ASN O . . . . . . . . . c19501_2mdq 1 . 15 . 3059 . 1 1 9 ASN OD1 O 0.813 0.128 2.916 . . . 1.0 . . . . . . . . . . . . A . 9 ASN OD1 . . . . . . . . . c19501_2mdq 1 . 15 . 3060 . 1 1 10 VAL C C 2.763 -4.602 1.080 . . . 1.0 . . . . . . . . . . . . A . 10 VAL C . . . . . . . . . c19501_2mdq 1 . 15 . 3061 . 1 1 10 VAL CA C 1.448 -4.323 1.846 . . . 1.0 . . . . . . . . . . . . A . 10 VAL CA . . . . . . . . . c19501_2mdq 1 . 15 . 3062 . 1 1 10 VAL CB C 0.649 -5.636 2.128 . . . 1.0 . . . . . . . . . . . . A . 10 VAL CB . . . . . . . . . c19501_2mdq 1 . 15 . 3063 . 1 1 10 VAL CG1 C 0.119 -6.265 0.854 . . . 1.0 . . . . . . . . . . . . A . 10 VAL CG1 . . . . . . . . . c19501_2mdq 1 . 15 . 3064 . 1 1 10 VAL CG2 C 1.477 -6.633 2.925 . . . 1.0 . . . . . . . . . . . . A . 10 VAL CG2 . . . . . . . . . c19501_2mdq 1 . 15 . 3065 . 1 1 10 VAL H H -0.331 -3.482 1.038 . . . 1.0 . . . . . . . . . . . . A . 10 VAL H . . . . . . . . . c19501_2mdq 1 . 15 . 3066 . 1 1 10 VAL HA H 1.741 -3.910 2.800 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HA . . . . . . . . . c19501_2mdq 1 . 15 . 3067 . 1 1 10 VAL HB H -0.210 -5.362 2.725 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HB . . . . . . . . . c19501_2mdq 1 . 15 . 3068 . 1 1 10 VAL HG11 H -0.541 -5.570 0.355 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG11 . . . . . . . . . c19501_2mdq 1 . 15 . 3069 . 1 1 10 VAL HG12 H -0.423 -7.167 1.098 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG12 . . . . . . . . . c19501_2mdq 1 . 15 . 3070 . 1 1 10 VAL HG13 H 0.948 -6.504 0.204 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG13 . . . . . . . . . c19501_2mdq 1 . 15 . 3071 . 1 1 10 VAL HG21 H 0.889 -7.519 3.112 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG21 . . . . . . . . . c19501_2mdq 1 . 15 . 3072 . 1 1 10 VAL HG22 H 1.770 -6.191 3.867 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG22 . . . . . . . . . c19501_2mdq 1 . 15 . 3073 . 1 1 10 VAL HG23 H 2.360 -6.895 2.362 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG23 . . . . . . . . . c19501_2mdq 1 . 15 . 3074 . 1 1 10 VAL N N 0.616 -3.301 1.230 . . . 1.0 . . . . . . . . . . . . A . 10 VAL N . . . . . . . . . c19501_2mdq 1 . 15 . 3075 . 1 1 10 VAL O O 3.823 -4.754 1.702 . . . 1.0 . . . . . . . . . . . . A . 10 VAL O . . . . . . . . . c19501_2mdq 1 . 15 . 3076 . 1 1 11 ASP C C 4.628 -3.621 -1.476 . . . 1.0 . . . . . . . . . . . . A . 11 ASP C . . . . . . . . . c19501_2mdq 1 . 15 . 3077 . 1 1 11 ASP CA C 3.969 -4.891 -0.968 . . . 1.0 . . . . . . . . . . . . A . 11 ASP CA . . . . . . . . . c19501_2mdq 1 . 15 . 3078 . 1 1 11 ASP CB C 3.810 -5.940 -2.098 . . . 1.0 . . . . . . . . . . . . A . 11 ASP CB . . . . . . . . . c19501_2mdq 1 . 15 . 3079 . 1 1 11 ASP CG C 3.200 -5.423 -3.385 . . . 1.0 . . . . . . . . . . . . A . 11 ASP CG . . . . . . . . . c19501_2mdq 1 . 15 . 3080 . 1 1 11 ASP H H 1.898 -4.432 -0.726 . . . 1.0 . . . . . . . . . . . . A . 11 ASP H . . . . . . . . . c19501_2mdq 1 . 15 . 3081 . 1 1 11 ASP HA H 4.640 -5.286 -0.222 . . . 1.0 . . . . . . . . . . . . A . 11 ASP HA . . . . . . . . . c19501_2mdq 1 . 15 . 3082 . 1 1 11 ASP HB2 H 4.784 -6.337 -2.339 . . . 1.0 . . . . . . . . . . . . A . 11 ASP HB2 . . . . . . . . . c19501_2mdq 1 . 15 . 3083 . 1 1 11 ASP HB3 H 3.194 -6.747 -1.727 . . . 1.0 . . . . . . . . . . . . A . 11 ASP HB3 . . . . . . . . . c19501_2mdq 1 . 15 . 3084 . 1 1 11 ASP N N 2.733 -4.611 -0.244 . . . 1.0 . . . . . . . . . . . . A . 11 ASP N . . . . . . . . . c19501_2mdq 1 . 15 . 3085 . 1 1 11 ASP O O 5.648 -3.678 -2.155 . . . 1.0 . . . . . . . . . . . . A . 11 ASP O . . . . . . . . . c19501_2mdq 1 . 15 . 3086 . 1 1 11 ASP OD1 O 1.961 -5.309 -3.480 . . . 1.0 . . . . . . . . . . . . A . 11 ASP OD1 . . . . . . . . . c19501_2mdq 1 . 15 . 3087 . 1 1 11 ASP OD2 O 3.947 -5.184 -4.357 . . . 1.0 . . . . . . . . . . . . A . 11 ASP OD2 . . . . . . . . . c19501_2mdq 1 . 15 . 3088 . 1 1 12 HIS C C 5.083 -0.377 -0.270 . . . 1.0 . . . . . . . . . . . . A . 12 HIS C . . . . . . . . . c19501_2mdq 1 . 15 . 3089 . 1 1 12 HIS CA C 4.657 -1.207 -1.475 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CA . . . . . . . . . c19501_2mdq 1 . 15 . 3090 . 1 1 12 HIS CB C 3.709 -0.379 -2.286 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CB . . . . . . . . . c19501_2mdq 1 . 15 . 3091 . 1 1 12 HIS CD2 C 2.412 -0.821 -4.433 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CD2 . . . . . . . . . c19501_2mdq 1 . 15 . 3092 . 1 1 12 HIS CE1 C 4.050 -1.286 -5.770 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CE1 . . . . . . . . . c19501_2mdq 1 . 15 . 3093 . 1 1 12 HIS CG C 3.535 -0.752 -3.709 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CG . . . . . . . . . c19501_2mdq 1 . 15 . 3094 . 1 1 12 HIS H H 3.277 -2.432 -0.553 . . . 1.0 . . . . . . . . . . . . A . 12 HIS H . . . . . . . . . c19501_2mdq 1 . 15 . 3095 . 1 1 12 HIS HA H 5.521 -1.410 -2.085 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HA . . . . . . . . . c19501_2mdq 1 . 15 . 3096 . 1 1 12 HIS HB2 H 2.748 -0.488 -1.813 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HB2 . . . . . . . . . c19501_2mdq 1 . 15 . 3097 . 1 1 12 HIS HB3 H 4.023 0.644 -2.200 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HB3 . . . . . . . . . c19501_2mdq 1 . 15 . 3098 . 1 1 12 HIS HD1 H 5.520 -1.138 -4.342 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HD1 . . . . . . . . . c19501_2mdq 1 . 15 . 3099 . 1 1 12 HIS HD2 H 1.415 -0.646 -4.050 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HD2 . . . . . . . . . c19501_2mdq 1 . 15 . 3100 . 1 1 12 HIS HE1 H 4.634 -1.542 -6.642 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HE1 . . . . . . . . . c19501_2mdq 1 . 15 . 3101 . 1 1 12 HIS N N 4.085 -2.473 -1.105 . . . 1.0 . . . . . . . . . . . . A . 12 HIS N . . . . . . . . . c19501_2mdq 1 . 15 . 3102 . 1 1 12 HIS ND1 N 4.567 -1.057 -4.569 . . . 1.0 . . . . . . . . . . . . A . 12 HIS ND1 . . . . . . . . . c19501_2mdq 1 . 15 . 3103 . 1 1 12 HIS NE2 N 2.728 -1.158 -5.747 . . . 1.0 . . . . . . . . . . . . A . 12 HIS NE2 . . . . . . . . . c19501_2mdq 1 . 15 . 3104 . 1 1 12 HIS O O 4.398 0.596 0.096 . . . 1.0 . . . . . . . . . . . . A . 12 HIS O . . . . . . . . . c19501_2mdq 1 . 15 . 3105 . 1 1 13 PRO C C 7.251 1.420 1.053 . . . 1.0 . . . . . . . . . . . . A . 13 PRO C . . . . . . . . . c19501_2mdq 1 . 15 . 3106 . 1 1 13 PRO CA C 6.707 0.070 1.510 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CA . . . . . . . . . c19501_2mdq 1 . 15 . 3107 . 1 1 13 PRO CB C 7.817 -0.817 2.096 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CB . . . . . . . . . c19501_2mdq 1 . 15 . 3108 . 1 1 13 PRO CD C 7.098 -1.831 0.076 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CD . . . . . . . . . c19501_2mdq 1 . 15 . 3109 . 1 1 13 PRO CG C 7.651 -2.140 1.426 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CG . . . . . . . . . c19501_2mdq 1 . 15 . 3110 . 1 1 13 PRO HA H 5.923 0.234 2.227 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HA . . . . . . . . . c19501_2mdq 1 . 15 . 3111 . 1 1 13 PRO HB2 H 8.777 -0.381 1.862 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HB2 . . . . . . . . . c19501_2mdq 1 . 15 . 3112 . 1 1 13 PRO HB3 H 7.701 -0.898 3.167 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HB3 . . . . . . . . . c19501_2mdq 1 . 15 . 3113 . 1 1 13 PRO HD2 H 7.887 -1.548 -0.607 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HD2 . . . . . . . . . c19501_2mdq 1 . 15 . 3114 . 1 1 13 PRO HD3 H 6.533 -2.665 -0.312 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HD3 . . . . . . . . . c19501_2mdq 1 . 15 . 3115 . 1 1 13 PRO HG2 H 8.603 -2.641 1.344 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HG2 . . . . . . . . . c19501_2mdq 1 . 15 . 3116 . 1 1 13 PRO HG3 H 6.955 -2.750 1.983 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HG3 . . . . . . . . . c19501_2mdq 1 . 15 . 3117 . 1 1 13 PRO N N 6.217 -0.698 0.367 . . . 1.0 . . . . . . . . . . . . A . 13 PRO N . . . . . . . . . c19501_2mdq 1 . 15 . 3118 . 1 1 13 PRO O O 7.301 2.388 1.810 . . . 1.0 . . . . . . . . . . . . A . 13 PRO O . . . . . . . . . c19501_2mdq 1 . 15 . 3119 . 1 1 14 GLU C C 6.990 3.649 -1.118 . . . 1.0 . . . . . . . . . . . . A . 14 GLU C . . . . . . . . . c19501_2mdq 1 . 15 . 3120 . 1 1 14 GLU CA C 8.105 2.627 -0.874 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CA . . . . . . . . . c19501_2mdq 1 . 15 . 3121 . 1 1 14 GLU CB C 8.727 2.203 -2.205 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CB . . . . . . . . . c19501_2mdq 1 . 15 . 3122 . 1 1 14 GLU CD C 8.367 1.219 -4.518 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CD . . . . . . . . . c19501_2mdq 1 . 15 . 3123 . 1 1 14 GLU CG C 7.733 1.622 -3.211 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CG . . . . . . . . . c19501_2mdq 1 . 15 . 3124 . 1 1 14 GLU H H 7.482 0.657 -0.752 . . . 1.0 . . . . . . . . . . . . A . 14 GLU H . . . . . . . . . c19501_2mdq 1 . 15 . 3125 . 1 1 14 GLU HA H 8.877 3.062 -0.256 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HA . . . . . . . . . c19501_2mdq 1 . 15 . 3126 . 1 1 14 GLU HB2 H 9.167 3.079 -2.641 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HB2 . . . . . . . . . c19501_2mdq 1 . 15 . 3127 . 1 1 14 GLU HB3 H 9.498 1.470 -2.021 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HB3 . . . . . . . . . c19501_2mdq 1 . 15 . 3128 . 1 1 14 GLU HG2 H 7.258 0.755 -2.779 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HG2 . . . . . . . . . c19501_2mdq 1 . 15 . 3129 . 1 1 14 GLU HG3 H 6.987 2.378 -3.410 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HG3 . . . . . . . . . c19501_2mdq 1 . 15 . 3130 . 1 1 14 GLU N N 7.584 1.469 -0.221 . . . 1.0 . . . . . . . . . . . . A . 14 GLU N . . . . . . . . . c19501_2mdq 1 . 15 . 3131 . 1 1 14 GLU O O 7.248 4.835 -1.278 . . . 1.0 . . . . . . . . . . . . A . 14 GLU O . . . . . . . . . c19501_2mdq 1 . 15 . 3132 . 1 1 14 GLU OE1 O 8.511 2.062 -5.423 . . . 1.0 . . . . . . . . . . . . A . 14 GLU OE1 . . . . . . . . . c19501_2mdq 1 . 15 . 3133 . 1 1 14 GLU OE2 O 8.707 0.045 -4.671 . . . 1.0 . . . . . . . . . . . . A . 14 GLU OE2 . . . . . . . . . c19501_2mdq 1 . 15 . 3134 . 1 1 15 ILE C C 3.975 4.361 -0.071 . . . 1.0 . . . . . . . . . . . . A . 15 ILE C . . . . . . . . . c19501_2mdq 1 . 15 . 3135 . 1 1 15 ILE CA C 4.624 4.047 -1.391 . . . 1.0 . . . . . . . . . . . . A . 15 ILE CA . . . . . . . . . c19501_2mdq 1 . 15 . 3136 . 1 1 15 ILE CB C 3.571 3.415 -2.366 . . . 1.0 . . . . . . . . . . . . A . 15 ILE CB . . . . . . . . . c19501_2mdq 1 . 15 . 3137 . 1 1 15 ILE CD1 C 4.852 4.186 -4.473 . . . 1.0 . . . . . . . . . . . . A . 15 ILE CD1 . . . . . . . . . c19501_2mdq 1 . 15 . 3138 . 1 1 15 ILE CG1 C 4.211 3.031 -3.718 . . . 1.0 . . . . . . . . . . . . A . 15 ILE CG1 . . . . . . . . . c19501_2mdq 1 . 15 . 3139 . 1 1 15 ILE CG2 C 2.383 4.356 -2.591 . . . 1.0 . . . . . . . . . . . . A . 15 ILE CG2 . . . . . . . . . c19501_2mdq 1 . 15 . 3140 . 1 1 15 ILE H H 5.608 2.222 -0.995 . . . 1.0 . . . . . . . . . . . . A . 15 ILE H . . . . . . . . . c19501_2mdq 1 . 15 . 3141 . 1 1 15 ILE HA H 4.994 4.966 -1.812 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HA . . . . . . . . . c19501_2mdq 1 . 15 . 3142 . 1 1 15 ILE HB H 3.187 2.522 -1.897 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HB . . . . . . . . . c19501_2mdq 1 . 15 . 3143 . 1 1 15 ILE HD11 H 4.111 4.947 -4.667 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HD11 . . . . . . . . . c19501_2mdq 1 . 15 . 3144 . 1 1 15 ILE HD12 H 5.252 3.825 -5.409 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HD12 . . . . . . . . . c19501_2mdq 1 . 15 . 3145 . 1 1 15 ILE HD13 H 5.652 4.601 -3.880 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HD13 . . . . . . . . . c19501_2mdq 1 . 15 . 3146 . 1 1 15 ILE HG12 H 4.970 2.282 -3.550 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HG12 . . . . . . . . . c19501_2mdq 1 . 15 . 3147 . 1 1 15 ILE HG13 H 3.445 2.606 -4.351 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HG13 . . . . . . . . . c19501_2mdq 1 . 15 . 3148 . 1 1 15 ILE HG21 H 1.902 4.561 -1.646 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HG21 . . . . . . . . . c19501_2mdq 1 . 15 . 3149 . 1 1 15 ILE HG22 H 1.676 3.892 -3.262 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HG22 . . . . . . . . . c19501_2mdq 1 . 15 . 3150 . 1 1 15 ILE HG23 H 2.736 5.280 -3.022 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HG23 . . . . . . . . . c19501_2mdq 1 . 15 . 3151 . 1 1 15 ILE N N 5.754 3.176 -1.155 . . . 1.0 . . . . . . . . . . . . A . 15 ILE N . . . . . . . . . c19501_2mdq 1 . 15 . 3152 . 1 1 15 ILE O O 3.736 5.528 0.270 . . . 1.0 . . . . . . . . . . . . A . 15 ILE O . . . . . . . . . c19501_2mdq 1 . 15 . 3153 . 1 1 16 CYS C C 3.911 2.653 2.981 . . . 1.0 . . . . . . . . . . . . A . 16 CYS C . . . . . . . . . c19501_2mdq 1 . 15 . 3154 . 1 1 16 CYS CA C 3.106 3.431 1.943 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CA . . . . . . . . . c19501_2mdq 1 . 15 . 3155 . 1 1 16 CYS CB C 1.705 2.918 1.849 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CB . . . . . . . . . c19501_2mdq 1 . 15 . 3156 . 1 1 16 CYS H H 3.932 2.430 0.346 . . . 1.0 . . . . . . . . . . . . A . 16 CYS H . . . . . . . . . c19501_2mdq 1 . 15 . 3157 . 1 1 16 CYS HA H 3.068 4.470 2.213 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HA . . . . . . . . . c19501_2mdq 1 . 15 . 3158 . 1 1 16 CYS HB2 H 1.801 1.891 1.553 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB2 . . . . . . . . . c19501_2mdq 1 . 15 . 3159 . 1 1 16 CYS HB3 H 1.237 2.981 2.816 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB3 . . . . . . . . . c19501_2mdq 1 . 15 . 3160 . 1 1 16 CYS N N 3.718 3.330 0.669 . . . 1.0 . . . . . . . . . . . . A . 16 CYS N . . . . . . . . . c19501_2mdq 1 . 15 . 3161 . 1 1 16 CYS O O 4.801 3.203 3.626 . . . 1.0 . . . . . . . . . . . . A . 16 CYS O . . . . . . . . . c19501_2mdq 1 . 15 . 3162 . 1 1 16 CYS SG S 0.670 3.761 0.615 . . . 1.0 . . . . . . . . . . . . A . 16 CYS SG . . . . . . . . . c19501_2mdq 1 . 15 . 3163 . 1 1 17 NH2 HN1 H 2.932 0.954 2.591 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 HN1 . . . . . . . . . c19501_2mdq 1 . 15 . 3164 . 1 1 17 NH2 HN2 H 4.191 0.863 3.764 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 HN2 . . . . . . . . . c19501_2mdq 1 . 15 . 3165 . 1 1 17 NH2 N N 3.648 1.366 3.120 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 N . . . . . . . . . c19501_2mdq 1 . 16 . 3166 . 1 1 1 GLY C C -3.914 4.279 -3.339 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c19501_2mdq 1 . 16 . 3167 . 1 1 1 GLY CA C -3.913 5.609 -4.040 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c19501_2mdq 1 . 16 . 3168 . 1 1 1 GLY H1 H -4.709 7.516 -3.793 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c19501_2mdq 1 . 16 . 3169 . 1 1 1 GLY H2 H -4.237 6.760 -2.372 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H2 . . . . . . . . . c19501_2mdq 1 . 16 . 3170 . 1 1 1 GLY H3 H -5.642 6.261 -3.135 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H3 . . . . . . . . . c19501_2mdq 1 . 16 . 3171 . 1 1 1 GLY HA2 H -4.346 5.483 -5.022 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c19501_2mdq 1 . 16 . 3172 . 1 1 1 GLY HA3 H -2.894 5.947 -4.143 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c19501_2mdq 1 . 16 . 3173 . 1 1 1 GLY N N -4.677 6.603 -3.300 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c19501_2mdq 1 . 16 . 3174 . 1 1 1 GLY O O -4.830 3.982 -2.550 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c19501_2mdq 1 . 16 . 3175 . 1 1 2 CYS C C -2.577 2.106 -1.561 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . c19501_2mdq 1 . 16 . 3176 . 1 1 2 CYS CA C -2.733 2.166 -3.043 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . c19501_2mdq 1 . 16 . 3177 . 1 1 2 CYS CB C -1.611 1.461 -3.699 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . c19501_2mdq 1 . 16 . 3178 . 1 1 2 CYS H H -2.152 3.813 -4.161 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . c19501_2mdq 1 . 16 . 3179 . 1 1 2 CYS HA H -3.628 1.641 -3.312 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . c19501_2mdq 1 . 16 . 3180 . 1 1 2 CYS HB2 H -0.933 2.260 -3.935 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . c19501_2mdq 1 . 16 . 3181 . 1 1 2 CYS HB3 H -1.152 0.777 -3.007 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . c19501_2mdq 1 . 16 . 3182 . 1 1 2 CYS N N -2.878 3.495 -3.581 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . c19501_2mdq 1 . 16 . 3183 . 1 1 2 CYS O O -2.769 1.064 -0.961 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . c19501_2mdq 1 . 16 . 3184 . 1 1 2 CYS SG S -2.040 0.629 -5.247 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . c19501_2mdq 1 . 16 . 3185 . 1 1 3 CYS C C -3.464 3.049 1.141 . . . 1.0 . . . . . . . . . . . . A . 3 CYS C . . . . . . . . . c19501_2mdq 1 . 16 . 3186 . 1 1 3 CYS CA C -2.122 3.243 0.460 . . . 1.0 . . . . . . . . . . . . A . 3 CYS CA . . . . . . . . . c19501_2mdq 1 . 16 . 3187 . 1 1 3 CYS CB C -1.421 4.497 0.914 . . . 1.0 . . . . . . . . . . . . A . 3 CYS CB . . . . . . . . . c19501_2mdq 1 . 16 . 3188 . 1 1 3 CYS H H -2.014 3.981 -1.502 . . . 1.0 . . . . . . . . . . . . A . 3 CYS H . . . . . . . . . c19501_2mdq 1 . 16 . 3189 . 1 1 3 CYS HA H -1.523 2.389 0.720 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HA . . . . . . . . . c19501_2mdq 1 . 16 . 3190 . 1 1 3 CYS HB2 H -1.773 5.303 0.288 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HB2 . . . . . . . . . c19501_2mdq 1 . 16 . 3191 . 1 1 3 CYS HB3 H -1.723 4.682 1.926 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HB3 . . . . . . . . . c19501_2mdq 1 . 16 . 3192 . 1 1 3 CYS N N -2.234 3.190 -0.966 . . . 1.0 . . . . . . . . . . . . A . 3 CYS N . . . . . . . . . c19501_2mdq 1 . 16 . 3193 . 1 1 3 CYS O O -3.554 2.429 2.193 . . . 1.0 . . . . . . . . . . . . A . 3 CYS O . . . . . . . . . c19501_2mdq 1 . 16 . 3194 . 1 1 3 CYS SG S 0.398 4.468 0.758 . . . 1.0 . . . . . . . . . . . . A . 3 CYS SG . . . . . . . . . c19501_2mdq 1 . 16 . 3195 . 1 1 4 SER C C -6.402 1.947 0.553 . . . 1.0 . . . . . . . . . . . . A . 4 SER C . . . . . . . . . c19501_2mdq 1 . 16 . 3196 . 1 1 4 SER CA C -5.861 3.341 0.967 . . . 1.0 . . . . . . . . . . . . A . 4 SER CA . . . . . . . . . c19501_2mdq 1 . 16 . 3197 . 1 1 4 SER CB C -6.721 4.443 0.357 . . . 1.0 . . . . . . . . . . . . A . 4 SER CB . . . . . . . . . c19501_2mdq 1 . 16 . 3198 . 1 1 4 SER H H -4.276 4.022 -0.303 . . . 1.0 . . . . . . . . . . . . A . 4 SER H . . . . . . . . . c19501_2mdq 1 . 16 . 3199 . 1 1 4 SER HA H -5.875 3.430 2.043 . . . 1.0 . . . . . . . . . . . . A . 4 SER HA . . . . . . . . . c19501_2mdq 1 . 16 . 3200 . 1 1 4 SER HB2 H -6.772 4.304 -0.713 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB2 . . . . . . . . . c19501_2mdq 1 . 16 . 3201 . 1 1 4 SER HB3 H -7.715 4.402 0.774 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB3 . . . . . . . . . c19501_2mdq 1 . 16 . 3202 . 1 1 4 SER HG H -6.762 6.186 1.225 . . . 1.0 . . . . . . . . . . . . A . 4 SER HG . . . . . . . . . c19501_2mdq 1 . 16 . 3203 . 1 1 4 SER N N -4.484 3.510 0.506 . . . 1.0 . . . . . . . . . . . . A . 4 SER N . . . . . . . . . c19501_2mdq 1 . 16 . 3204 . 1 1 4 SER O O -7.597 1.674 0.631 . . . 1.0 . . . . . . . . . . . . A . 4 SER O . . . . . . . . . c19501_2mdq 1 . 16 . 3205 . 1 1 4 SER OG O -6.158 5.725 0.630 . . . 1.0 . . . . . . . . . . . . A . 4 SER OG . . . . . . . . . c19501_2mdq 1 . 16 . 3206 . 1 1 5 HIS C C -4.970 -1.234 0.448 . . . 1.0 . . . . . . . . . . . . A . 5 HIS C . . . . . . . . . c19501_2mdq 1 . 16 . 3207 . 1 1 5 HIS CA C -5.827 -0.251 -0.323 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CA . . . . . . . . . c19501_2mdq 1 . 16 . 3208 . 1 1 5 HIS CB C -5.567 -0.407 -1.818 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CB . . . . . . . . . c19501_2mdq 1 . 16 . 3209 . 1 1 5 HIS CD2 C -6.841 1.462 -3.081 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CD2 . . . . . . . . . c19501_2mdq 1 . 16 . 3210 . 1 1 5 HIS CE1 C -8.392 0.253 -4.005 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CE1 . . . . . . . . . c19501_2mdq 1 . 16 . 3211 . 1 1 5 HIS CG C -6.627 0.182 -2.696 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CG . . . . . . . . . c19501_2mdq 1 . 16 . 3212 . 1 1 5 HIS H H -4.569 1.370 0.060 . . . 1.0 . . . . . . . . . . . . A . 5 HIS H . . . . . . . . . c19501_2mdq 1 . 16 . 3213 . 1 1 5 HIS HA H -6.872 -0.434 -0.125 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HA . . . . . . . . . c19501_2mdq 1 . 16 . 3214 . 1 1 5 HIS HB2 H -4.639 0.113 -2.017 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB2 . . . . . . . . . c19501_2mdq 1 . 16 . 3215 . 1 1 5 HIS HB3 H -5.446 -1.452 -2.055 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB3 . . . . . . . . . c19501_2mdq 1 . 16 . 3216 . 1 1 5 HIS HD1 H -7.748 -1.535 -3.199 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD1 . . . . . . . . . c19501_2mdq 1 . 16 . 3217 . 1 1 5 HIS HD2 H -6.238 2.316 -2.805 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD2 . . . . . . . . . c19501_2mdq 1 . 16 . 3218 . 1 1 5 HIS HE1 H -9.246 -0.067 -4.585 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HE1 . . . . . . . . . c19501_2mdq 1 . 16 . 3219 . 1 1 5 HIS N N -5.511 1.095 0.100 . . . 1.0 . . . . . . . . . . . . A . 5 HIS N . . . . . . . . . c19501_2mdq 1 . 16 . 3220 . 1 1 5 HIS ND1 N -7.619 -0.564 -3.291 . . . 1.0 . . . . . . . . . . . . A . 5 HIS ND1 . . . . . . . . . c19501_2mdq 1 . 16 . 3221 . 1 1 5 HIS NE2 N -7.967 1.506 -3.908 . . . 1.0 . . . . . . . . . . . . A . 5 HIS NE2 . . . . . . . . . c19501_2mdq 1 . 16 . 3222 . 1 1 5 HIS O O -3.778 -1.287 0.233 . . . 1.0 . . . . . . . . . . . . A . 5 HIS O . . . . . . . . . c19501_2mdq 1 . 16 . 3223 . 1 1 6 PRO C C -3.785 -3.834 1.535 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . c19501_2mdq 1 . 16 . 3224 . 1 1 6 PRO CA C -4.834 -2.953 2.236 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . c19501_2mdq 1 . 16 . 3225 . 1 1 6 PRO CB C -5.939 -3.814 2.842 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . c19501_2mdq 1 . 16 . 3226 . 1 1 6 PRO CD C -7.027 -2.126 1.557 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . c19501_2mdq 1 . 16 . 3227 . 1 1 6 PRO CG C -7.142 -2.945 2.812 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . c19501_2mdq 1 . 16 . 3228 . 1 1 6 PRO HA H -4.345 -2.401 3.023 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . c19501_2mdq 1 . 16 . 3229 . 1 1 6 PRO HB2 H -6.071 -4.698 2.236 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB2 . . . . . . . . . c19501_2mdq 1 . 16 . 3230 . 1 1 6 PRO HB3 H -5.678 -4.096 3.852 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . c19501_2mdq 1 . 16 . 3231 . 1 1 6 PRO HD2 H -7.509 -2.629 0.732 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD2 . . . . . . . . . c19501_2mdq 1 . 16 . 3232 . 1 1 6 PRO HD3 H -7.455 -1.146 1.708 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . c19501_2mdq 1 . 16 . 3233 . 1 1 6 PRO HG2 H -8.036 -3.550 2.787 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG2 . . . . . . . . . c19501_2mdq 1 . 16 . 3234 . 1 1 6 PRO HG3 H -7.150 -2.300 3.678 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . c19501_2mdq 1 . 16 . 3235 . 1 1 6 PRO N N -5.570 -2.037 1.339 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . c19501_2mdq 1 . 16 . 3236 . 1 1 6 PRO O O -2.626 -3.879 1.960 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . c19501_2mdq 1 . 16 . 3237 . 1 1 7 ALA C C -2.190 -4.635 -1.033 . . . 1.0 . . . . . . . . . . . . A . 7 ALA C . . . . . . . . . c19501_2mdq 1 . 16 . 3238 . 1 1 7 ALA CA C -3.270 -5.383 -0.257 . . . 1.0 . . . . . . . . . . . . A . 7 ALA CA . . . . . . . . . c19501_2mdq 1 . 16 . 3239 . 1 1 7 ALA CB C -4.028 -6.336 -1.163 . . . 1.0 . . . . . . . . . . . . A . 7 ALA CB . . . . . . . . . c19501_2mdq 1 . 16 . 3240 . 1 1 7 ALA H H -5.085 -4.347 0.123 . . . 1.0 . . . . . . . . . . . . A . 7 ALA H . . . . . . . . . c19501_2mdq 1 . 16 . 3241 . 1 1 7 ALA HA H -2.770 -5.972 0.499 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HA . . . . . . . . . c19501_2mdq 1 . 16 . 3242 . 1 1 7 ALA HB1 H -3.348 -7.089 -1.535 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB1 . . . . . . . . . c19501_2mdq 1 . 16 . 3243 . 1 1 7 ALA HB2 H -4.441 -5.797 -2.001 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB2 . . . . . . . . . c19501_2mdq 1 . 16 . 3244 . 1 1 7 ALA HB3 H -4.823 -6.814 -0.612 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB3 . . . . . . . . . c19501_2mdq 1 . 16 . 3245 . 1 1 7 ALA N N -4.174 -4.485 0.454 . . . 1.0 . . . . . . . . . . . . A . 7 ALA N . . . . . . . . . c19501_2mdq 1 . 16 . 3246 . 1 1 7 ALA O O -1.031 -5.028 -1.021 . . . 1.0 . . . . . . . . . . . . A . 7 ALA O . . . . . . . . . c19501_2mdq 1 . 16 . 3247 . 1 1 8 CYS C C -0.668 -1.949 -1.591 . . . 1.0 . . . . . . . . . . . . A . 8 CYS C . . . . . . . . . c19501_2mdq 1 . 16 . 3248 . 1 1 8 CYS CA C -1.605 -2.774 -2.472 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CA . . . . . . . . . c19501_2mdq 1 . 16 . 3249 . 1 1 8 CYS CB C -2.384 -1.847 -3.429 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CB . . . . . . . . . c19501_2mdq 1 . 16 . 3250 . 1 1 8 CYS H H -3.456 -3.158 -1.484 . . . 1.0 . . . . . . . . . . . . A . 8 CYS H . . . . . . . . . c19501_2mdq 1 . 16 . 3251 . 1 1 8 CYS HA H -1.032 -3.489 -3.043 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HA . . . . . . . . . c19501_2mdq 1 . 16 . 3252 . 1 1 8 CYS HB2 H -3.279 -2.346 -3.767 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB2 . . . . . . . . . c19501_2mdq 1 . 16 . 3253 . 1 1 8 CYS HB3 H -2.664 -0.970 -2.861 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB3 . . . . . . . . . c19501_2mdq 1 . 16 . 3254 . 1 1 8 CYS N N -2.547 -3.500 -1.612 . . . 1.0 . . . . . . . . . . . . A . 8 CYS N . . . . . . . . . c19501_2mdq 1 . 16 . 3255 . 1 1 8 CYS O O 0.427 -1.578 -1.981 . . . 1.0 . . . . . . . . . . . . A . 8 CYS O . . . . . . . . . c19501_2mdq 1 . 16 . 3256 . 1 1 8 CYS SG S -1.448 -1.286 -4.908 . . . 1.0 . . . . . . . . . . . . A . 8 CYS SG . . . . . . . . . c19501_2mdq 1 . 16 . 3257 . 1 1 9 ASN C C 0.912 -1.749 0.955 . . . 1.0 . . . . . . . . . . . . A . 9 ASN C . . . . . . . . . c19501_2mdq 1 . 16 . 3258 . 1 1 9 ASN CA C -0.365 -1.000 0.633 . . . 1.0 . . . . . . . . . . . . A . 9 ASN CA . . . . . . . . . c19501_2mdq 1 . 16 . 3259 . 1 1 9 ASN CB C -1.210 -0.961 1.887 . . . 1.0 . . . . . . . . . . . . A . 9 ASN CB . . . . . . . . . c19501_2mdq 1 . 16 . 3260 . 1 1 9 ASN CG C -0.656 -0.109 2.992 . . . 1.0 . . . . . . . . . . . . A . 9 ASN CG . . . . . . . . . c19501_2mdq 1 . 16 . 3261 . 1 1 9 ASN H H -2.019 -2.024 -0.166 . . . 1.0 . . . . . . . . . . . . A . 9 ASN H . . . . . . . . . c19501_2mdq 1 . 16 . 3262 . 1 1 9 ASN HA H -0.164 0.004 0.307 . . . 1.0 . . . . . . . . . . . . A . 9 ASN HA . . . . . . . . . c19501_2mdq 1 . 16 . 3263 . 1 1 9 ASN HB2 H -2.212 -0.649 1.641 . . . 1.0 . . . . . . . . . . . . A . 9 ASN HB2 . . . . . . . . . c19501_2mdq 1 . 16 . 3264 . 1 1 9 ASN HB3 H -1.249 -1.980 2.227 . . . 1.0 . . . . . . . . . . . . A . 9 ASN HB3 . . . . . . . . . c19501_2mdq 1 . 16 . 3265 . 1 1 9 ASN HD21 H -1.813 1.354 2.421 . . . 1.0 . . . . . . . . . . . . A . 9 ASN HD21 . . . . . . . . . c19501_2mdq 1 . 16 . 3266 . 1 1 9 ASN HD22 H -0.816 1.701 3.779 . . . 1.0 . . . . . . . . . . . . A . 9 ASN HD22 . . . . . . . . . c19501_2mdq 1 . 16 . 3267 . 1 1 9 ASN N N -1.111 -1.719 -0.383 . . . 1.0 . . . . . . . . . . . . A . 9 ASN N . . . . . . . . . c19501_2mdq 1 . 16 . 3268 . 1 1 9 ASN ND2 N -1.129 1.091 3.075 . . . 1.0 . . . . . . . . . . . . A . 9 ASN ND2 . . . . . . . . . c19501_2mdq 1 . 16 . 3269 . 1 1 9 ASN O O 2.004 -1.173 1.054 . . . 1.0 . . . . . . . . . . . . A . 9 ASN O . . . . . . . . . c19501_2mdq 1 . 16 . 3270 . 1 1 9 ASN OD1 O 0.156 -0.558 3.803 . . . 1.0 . . . . . . . . . . . . A . 9 ASN OD1 . . . . . . . . . c19501_2mdq 1 . 16 . 3271 . 1 1 10 VAL C C 2.916 -3.991 0.425 . . . 1.0 . . . . . . . . . . . . A . 10 VAL C . . . . . . . . . c19501_2mdq 1 . 16 . 3272 . 1 1 10 VAL CA C 1.816 -3.931 1.478 . . . 1.0 . . . . . . . . . . . . A . 10 VAL CA . . . . . . . . . c19501_2mdq 1 . 16 . 3273 . 1 1 10 VAL CB C 1.285 -5.361 1.756 . . . 1.0 . . . . . . . . . . . . A . 10 VAL CB . . . . . . . . . c19501_2mdq 1 . 16 . 3274 . 1 1 10 VAL CG1 C 2.400 -6.288 2.224 . . . 1.0 . . . . . . . . . . . . A . 10 VAL CG1 . . . . . . . . . c19501_2mdq 1 . 16 . 3275 . 1 1 10 VAL CG2 C 0.158 -5.337 2.771 . . . 1.0 . . . . . . . . . . . . A . 10 VAL CG2 . . . . . . . . . c19501_2mdq 1 . 16 . 3276 . 1 1 10 VAL H H -0.149 -3.383 0.906 . . . 1.0 . . . . . . . . . . . . A . 10 VAL H . . . . . . . . . c19501_2mdq 1 . 16 . 3277 . 1 1 10 VAL HA H 2.240 -3.555 2.393 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HA . . . . . . . . . c19501_2mdq 1 . 16 . 3278 . 1 1 10 VAL HB H 0.896 -5.730 0.822 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HB . . . . . . . . . c19501_2mdq 1 . 16 . 3279 . 1 1 10 VAL HG11 H 3.149 -6.366 1.449 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG11 . . . . . . . . . c19501_2mdq 1 . 16 . 3280 . 1 1 10 VAL HG12 H 1.995 -7.266 2.438 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG12 . . . . . . . . . c19501_2mdq 1 . 16 . 3281 . 1 1 10 VAL HG13 H 2.852 -5.885 3.117 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG13 . . . . . . . . . c19501_2mdq 1 . 16 . 3282 . 1 1 10 VAL HG21 H 0.522 -4.923 3.700 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG21 . . . . . . . . . c19501_2mdq 1 . 16 . 3283 . 1 1 10 VAL HG22 H -0.195 -6.343 2.941 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG22 . . . . . . . . . c19501_2mdq 1 . 16 . 3284 . 1 1 10 VAL HG23 H -0.651 -4.728 2.398 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG23 . . . . . . . . . c19501_2mdq 1 . 16 . 3285 . 1 1 10 VAL N N 0.751 -3.038 1.090 . . . 1.0 . . . . . . . . . . . . A . 10 VAL N . . . . . . . . . c19501_2mdq 1 . 16 . 3286 . 1 1 10 VAL O O 4.113 -3.948 0.762 . . . 1.0 . . . . . . . . . . . . A . 10 VAL O . . . . . . . . . c19501_2mdq 1 . 16 . 3287 . 1 1 11 ASP C C 4.169 -2.895 -2.341 . . . 1.0 . . . . . . . . . . . . A . 11 ASP C . . . . . . . . . c19501_2mdq 1 . 16 . 3288 . 1 1 11 ASP CA C 3.542 -4.205 -1.900 . . . 1.0 . . . . . . . . . . . . A . 11 ASP CA . . . . . . . . . c19501_2mdq 1 . 16 . 3289 . 1 1 11 ASP CB C 3.041 -5.031 -3.096 . . . 1.0 . . . . . . . . . . . . A . 11 ASP CB . . . . . . . . . c19501_2mdq 1 . 16 . 3290 . 1 1 11 ASP CG C 1.992 -4.354 -3.943 . . . 1.0 . . . . . . . . . . . . A . 11 ASP CG . . . . . . . . . c19501_2mdq 1 . 16 . 3291 . 1 1 11 ASP H H 1.592 -3.975 -1.092 . . . 1.0 . . . . . . . . . . . . A . 11 ASP H . . . . . . . . . c19501_2mdq 1 . 16 . 3292 . 1 1 11 ASP HA H 4.342 -4.752 -1.426 . . . 1.0 . . . . . . . . . . . . A . 11 ASP HA . . . . . . . . . c19501_2mdq 1 . 16 . 3293 . 1 1 11 ASP HB2 H 3.878 -5.274 -3.733 . . . 1.0 . . . . . . . . . . . . A . 11 ASP HB2 . . . . . . . . . c19501_2mdq 1 . 16 . 3294 . 1 1 11 ASP HB3 H 2.628 -5.955 -2.715 . . . 1.0 . . . . . . . . . . . . A . 11 ASP HB3 . . . . . . . . . c19501_2mdq 1 . 16 . 3295 . 1 1 11 ASP N N 2.542 -4.042 -0.844 . . . 1.0 . . . . . . . . . . . . A . 11 ASP N . . . . . . . . . c19501_2mdq 1 . 16 . 3296 . 1 1 11 ASP O O 4.996 -2.871 -3.252 . . . 1.0 . . . . . . . . . . . . A . 11 ASP O . . . . . . . . . c19501_2mdq 1 . 16 . 3297 . 1 1 11 ASP OD1 O 0.806 -4.451 -3.612 . . . 1.0 . . . . . . . . . . . . A . 11 ASP OD1 . . . . . . . . . c19501_2mdq 1 . 16 . 3298 . 1 1 11 ASP OD2 O 2.340 -3.773 -4.998 . . . 1.0 . . . . . . . . . . . . A . 11 ASP OD2 . . . . . . . . . c19501_2mdq 1 . 16 . 3299 . 1 1 12 HIS C C 5.186 -0.123 -0.616 . . . 1.0 . . . . . . . . . . . . A . 12 HIS C . . . . . . . . . c19501_2mdq 1 . 16 . 3300 . 1 1 12 HIS CA C 4.432 -0.541 -1.884 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CA . . . . . . . . . c19501_2mdq 1 . 16 . 3301 . 1 1 12 HIS CB C 3.416 0.533 -2.217 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CB . . . . . . . . . c19501_2mdq 1 . 16 . 3302 . 1 1 12 HIS CD2 C 1.793 -0.109 -4.110 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CD2 . . . . . . . . . c19501_2mdq 1 . 16 . 3303 . 1 1 12 HIS CE1 C 2.607 1.096 -5.720 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CE1 . . . . . . . . . c19501_2mdq 1 . 16 . 3304 . 1 1 12 HIS CG C 2.858 0.532 -3.605 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CG . . . . . . . . . c19501_2mdq 1 . 16 . 3305 . 1 1 12 HIS H H 3.081 -1.851 -1.027 . . . 1.0 . . . . . . . . . . . . A . 12 HIS H . . . . . . . . . c19501_2mdq 1 . 16 . 3306 . 1 1 12 HIS HA H 5.124 -0.632 -2.704 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HA . . . . . . . . . c19501_2mdq 1 . 16 . 3307 . 1 1 12 HIS HB2 H 2.596 0.381 -1.538 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HB2 . . . . . . . . . c19501_2mdq 1 . 16 . 3308 . 1 1 12 HIS HB3 H 3.881 1.475 -2.003 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HB3 . . . . . . . . . c19501_2mdq 1 . 16 . 3309 . 1 1 12 HIS HD1 H 4.171 1.856 -4.621 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HD1 . . . . . . . . . c19501_2mdq 1 . 16 . 3310 . 1 1 12 HIS HD2 H 1.158 -0.796 -3.565 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HD2 . . . . . . . . . c19501_2mdq 1 . 16 . 3311 . 1 1 12 HIS HE1 H 2.769 1.566 -6.680 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HE1 . . . . . . . . . c19501_2mdq 1 . 16 . 3312 . 1 1 12 HIS N N 3.807 -1.816 -1.683 . . . 1.0 . . . . . . . . . . . . A . 12 HIS N . . . . . . . . . c19501_2mdq 1 . 16 . 3313 . 1 1 12 HIS ND1 N 3.366 1.290 -4.644 . . . 1.0 . . . . . . . . . . . . A . 12 HIS ND1 . . . . . . . . . c19501_2mdq 1 . 16 . 3314 . 1 1 12 HIS NE2 N 1.637 0.251 -5.453 . . . 1.0 . . . . . . . . . . . . A . 12 HIS NE2 . . . . . . . . . c19501_2mdq 1 . 16 . 3315 . 1 1 12 HIS O O 4.700 0.723 0.138 . . . 1.0 . . . . . . . . . . . . A . 12 HIS O . . . . . . . . . c19501_2mdq 1 . 16 . 3316 . 1 1 13 PRO C C 7.615 0.991 1.003 . . . 1.0 . . . . . . . . . . . . A . 13 PRO C . . . . . . . . . c19501_2mdq 1 . 16 . 3317 . 1 1 13 PRO CA C 7.133 -0.440 0.898 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CA . . . . . . . . . c19501_2mdq 1 . 16 . 3318 . 1 1 13 PRO CB C 8.325 -1.410 0.822 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CB . . . . . . . . . c19501_2mdq 1 . 16 . 3319 . 1 1 13 PRO CD C 7.123 -1.620 -1.228 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CD . . . . . . . . . c19501_2mdq 1 . 16 . 3320 . 1 1 13 PRO CG C 7.975 -2.378 -0.259 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CG . . . . . . . . . c19501_2mdq 1 . 16 . 3321 . 1 1 13 PRO HA H 6.532 -0.657 1.761 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HA . . . . . . . . . c19501_2mdq 1 . 16 . 3322 . 1 1 13 PRO HB2 H 9.220 -0.857 0.577 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HB2 . . . . . . . . . c19501_2mdq 1 . 16 . 3323 . 1 1 13 PRO HB3 H 8.453 -1.908 1.771 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HB3 . . . . . . . . . c19501_2mdq 1 . 16 . 3324 . 1 1 13 PRO HD2 H 7.733 -1.079 -1.934 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HD2 . . . . . . . . . c19501_2mdq 1 . 16 . 3325 . 1 1 13 PRO HD3 H 6.442 -2.284 -1.739 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HD3 . . . . . . . . . c19501_2mdq 1 . 16 . 3326 . 1 1 13 PRO HG2 H 8.874 -2.730 -0.743 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HG2 . . . . . . . . . c19501_2mdq 1 . 16 . 3327 . 1 1 13 PRO HG3 H 7.423 -3.209 0.155 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HG3 . . . . . . . . . c19501_2mdq 1 . 16 . 3328 . 1 1 13 PRO N N 6.386 -0.694 -0.351 . . . 1.0 . . . . . . . . . . . . A . 13 PRO N . . . . . . . . . c19501_2mdq 1 . 16 . 3329 . 1 1 13 PRO O O 7.672 1.581 2.085 . . . 1.0 . . . . . . . . . . . . A . 13 PRO O . . . . . . . . . c19501_2mdq 1 . 16 . 3330 . 1 1 14 GLU C C 7.306 3.909 -0.140 . . . 1.0 . . . . . . . . . . . . A . 14 GLU C . . . . . . . . . c19501_2mdq 1 . 16 . 3331 . 1 1 14 GLU CA C 8.415 2.863 -0.245 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CA . . . . . . . . . c19501_2mdq 1 . 16 . 3332 . 1 1 14 GLU CB C 9.150 2.981 -1.569 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CB . . . . . . . . . c19501_2mdq 1 . 16 . 3333 . 1 1 14 GLU CD C 9.058 2.742 -4.073 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CD . . . . . . . . . c19501_2mdq 1 . 16 . 3334 . 1 1 14 GLU CG C 8.299 2.644 -2.783 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CG . . . . . . . . . c19501_2mdq 1 . 16 . 3335 . 1 1 14 GLU H H 7.796 1.011 -0.936 . . . 1.0 . . . . . . . . . . . . A . 14 GLU H . . . . . . . . . c19501_2mdq 1 . 16 . 3336 . 1 1 14 GLU HA H 9.127 3.027 0.548 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HA . . . . . . . . . c19501_2mdq 1 . 16 . 3337 . 1 1 14 GLU HB2 H 9.466 4.001 -1.663 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HB2 . . . . . . . . . c19501_2mdq 1 . 16 . 3338 . 1 1 14 GLU HB3 H 10.014 2.333 -1.560 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HB3 . . . . . . . . . c19501_2mdq 1 . 16 . 3339 . 1 1 14 GLU HG2 H 7.919 1.638 -2.684 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HG2 . . . . . . . . . c19501_2mdq 1 . 16 . 3340 . 1 1 14 GLU HG3 H 7.473 3.338 -2.815 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HG3 . . . . . . . . . c19501_2mdq 1 . 16 . 3341 . 1 1 14 GLU N N 7.908 1.541 -0.125 . . . 1.0 . . . . . . . . . . . . A . 14 GLU N . . . . . . . . . c19501_2mdq 1 . 16 . 3342 . 1 1 14 GLU O O 7.553 5.053 0.217 . . . 1.0 . . . . . . . . . . . . A . 14 GLU O . . . . . . . . . c19501_2mdq 1 . 16 . 3343 . 1 1 14 GLU OE1 O 9.656 1.738 -4.498 . . . 1.0 . . . . . . . . . . . . A . 14 GLU OE1 . . . . . . . . . c19501_2mdq 1 . 16 . 3344 . 1 1 14 GLU OE2 O 9.058 3.807 -4.697 . . . 1.0 . . . . . . . . . . . . A . 14 GLU OE2 . . . . . . . . . c19501_2mdq 1 . 16 . 3345 . 1 1 15 ILE C C 4.217 4.315 0.875 . . . 1.0 . . . . . . . . . . . . A . 15 ILE C . . . . . . . . . c19501_2mdq 1 . 16 . 3346 . 1 1 15 ILE CA C 4.987 4.455 -0.412 . . . 1.0 . . . . . . . . . . . . A . 15 ILE CA . . . . . . . . . c19501_2mdq 1 . 16 . 3347 . 1 1 15 ILE CB C 4.008 4.226 -1.605 . . . 1.0 . . . . . . . . . . . . A . 15 ILE CB . . . . . . . . . c19501_2mdq 1 . 16 . 3348 . 1 1 15 ILE CD1 C 5.521 5.450 -3.284 . . . 1.0 . . . . . . . . . . . . A . 15 ILE CD1 . . . . . . . . . c19501_2mdq 1 . 16 . 3349 . 1 1 15 ILE CG1 C 4.749 4.188 -2.953 . . . 1.0 . . . . . . . . . . . . A . 15 ILE CG1 . . . . . . . . . c19501_2mdq 1 . 16 . 3350 . 1 1 15 ILE CG2 C 2.933 5.301 -1.628 . . . 1.0 . . . . . . . . . . . . A . 15 ILE CG2 . . . . . . . . . c19501_2mdq 1 . 16 . 3351 . 1 1 15 ILE H H 5.920 2.562 -0.600 . . . 1.0 . . . . . . . . . . . . A . 15 ILE H . . . . . . . . . c19501_2mdq 1 . 16 . 3352 . 1 1 15 ILE HA H 5.387 5.453 -0.474 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HA . . . . . . . . . c19501_2mdq 1 . 16 . 3353 . 1 1 15 ILE HB H 3.508 3.284 -1.449 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HB . . . . . . . . . c19501_2mdq 1 . 16 . 3354 . 1 1 15 ILE HD11 H 6.008 5.335 -4.241 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HD11 . . . . . . . . . c19501_2mdq 1 . 16 . 3355 . 1 1 15 ILE HD12 H 6.266 5.623 -2.521 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HD12 . . . . . . . . . c19501_2mdq 1 . 16 . 3356 . 1 1 15 ILE HD13 H 4.840 6.285 -3.321 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HD13 . . . . . . . . . c19501_2mdq 1 . 16 . 3357 . 1 1 15 ILE HG12 H 5.445 3.363 -2.948 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HG12 . . . . . . . . . c19501_2mdq 1 . 16 . 3358 . 1 1 15 ILE HG13 H 4.027 4.023 -3.740 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HG13 . . . . . . . . . c19501_2mdq 1 . 16 . 3359 . 1 1 15 ILE HG21 H 2.371 5.271 -0.706 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HG21 . . . . . . . . . c19501_2mdq 1 . 16 . 3360 . 1 1 15 ILE HG22 H 2.271 5.138 -2.464 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HG22 . . . . . . . . . c19501_2mdq 1 . 16 . 3361 . 1 1 15 ILE HG23 H 3.406 6.266 -1.728 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HG23 . . . . . . . . . c19501_2mdq 1 . 16 . 3362 . 1 1 15 ILE N N 6.086 3.510 -0.419 . . . 1.0 . . . . . . . . . . . . A . 15 ILE N . . . . . . . . . c19501_2mdq 1 . 16 . 3363 . 1 1 15 ILE O O 4.120 5.243 1.677 . . . 1.0 . . . . . . . . . . . . A . 15 ILE O . . . . . . . . . c19501_2mdq 1 . 16 . 3364 . 1 1 16 CYS C C 3.732 2.216 3.313 . . . 1.0 . . . . . . . . . . . . A . 16 CYS C . . . . . . . . . c19501_2mdq 1 . 16 . 3365 . 1 1 16 CYS CA C 2.908 2.849 2.204 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CA . . . . . . . . . c19501_2mdq 1 . 16 . 3366 . 1 1 16 CYS CB C 1.797 1.942 1.774 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CB . . . . . . . . . c19501_2mdq 1 . 16 . 3367 . 1 1 16 CYS H H 3.953 2.429 0.456 . . . 1.0 . . . . . . . . . . . . A . 16 CYS H . . . . . . . . . c19501_2mdq 1 . 16 . 3368 . 1 1 16 CYS HA H 2.477 3.765 2.563 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HA . . . . . . . . . c19501_2mdq 1 . 16 . 3369 . 1 1 16 CYS HB2 H 2.270 1.014 1.516 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB2 . . . . . . . . . c19501_2mdq 1 . 16 . 3370 . 1 1 16 CYS HB3 H 1.112 1.785 2.593 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB3 . . . . . . . . . c19501_2mdq 1 . 16 . 3371 . 1 1 16 CYS N N 3.733 3.148 1.085 . . . 1.0 . . . . . . . . . . . . A . 16 CYS N . . . . . . . . . c19501_2mdq 1 . 16 . 3372 . 1 1 16 CYS O O 3.993 2.842 4.329 . . . 1.0 . . . . . . . . . . . . A . 16 CYS O . . . . . . . . . c19501_2mdq 1 . 16 . 3373 . 1 1 16 CYS SG S 0.851 2.532 0.320 . . . 1.0 . . . . . . . . . . . . A . 16 CYS SG . . . . . . . . . c19501_2mdq 1 . 16 . 3374 . 1 1 17 NH2 HN1 H 3.910 0.523 2.283 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 HN1 . . . . . . . . . c19501_2mdq 1 . 16 . 3375 . 1 1 17 NH2 HN2 H 4.686 0.566 3.828 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 HN2 . . . . . . . . . c19501_2mdq 1 . 16 . 3376 . 1 1 17 NH2 N N 4.149 0.978 3.120 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 N . . . . . . . . . c19501_2mdq 1 . 17 . 3377 . 1 1 1 GLY C C -4.365 3.902 -3.339 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c19501_2mdq 1 . 17 . 3378 . 1 1 1 GLY CA C -4.788 5.066 -4.197 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c19501_2mdq 1 . 17 . 3379 . 1 1 1 GLY H1 H -5.094 6.384 -2.656 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c19501_2mdq 1 . 17 . 3380 . 1 1 1 GLY H2 H -6.468 5.531 -3.111 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H2 . . . . . . . . . c19501_2mdq 1 . 17 . 3381 . 1 1 1 GLY H3 H -5.897 6.796 -4.080 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H3 . . . . . . . . . c19501_2mdq 1 . 17 . 3382 . 1 1 1 GLY HA2 H -5.350 4.692 -5.038 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c19501_2mdq 1 . 17 . 3383 . 1 1 1 GLY HA3 H -3.906 5.574 -4.557 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c19501_2mdq 1 . 17 . 3384 . 1 1 1 GLY N N -5.616 6.003 -3.468 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c19501_2mdq 1 . 17 . 3385 . 1 1 1 GLY O O -5.014 3.601 -2.326 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c19501_2mdq 1 . 17 . 3386 . 1 1 2 CYS C C -2.419 2.186 -1.614 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . c19501_2mdq 1 . 17 . 3387 . 1 1 2 CYS CA C -2.726 2.109 -3.083 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . c19501_2mdq 1 . 17 . 3388 . 1 1 2 CYS CB C -1.558 1.612 -3.837 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . c19501_2mdq 1 . 17 . 3389 . 1 1 2 CYS H H -2.685 3.673 -4.418 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . c19501_2mdq 1 . 17 . 3390 . 1 1 2 CYS HA H -3.499 1.384 -3.225 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . c19501_2mdq 1 . 17 . 3391 . 1 1 2 CYS HB2 H -1.036 2.508 -4.124 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . c19501_2mdq 1 . 17 . 3392 . 1 1 2 CYS HB3 H -0.946 1.012 -3.191 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . c19501_2mdq 1 . 17 . 3393 . 1 1 2 CYS N N -3.237 3.307 -3.692 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . c19501_2mdq 1 . 17 . 3394 . 1 1 2 CYS O O -2.390 1.175 -0.939 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . c19501_2mdq 1 . 17 . 3395 . 1 1 2 CYS SG S -1.983 0.718 -5.355 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . c19501_2mdq 1 . 17 . 3396 . 1 1 3 CYS C C -3.145 3.252 1.134 . . . 1.0 . . . . . . . . . . . . A . 3 CYS C . . . . . . . . . c19501_2mdq 1 . 17 . 3397 . 1 1 3 CYS CA C -1.930 3.495 0.280 . . . 1.0 . . . . . . . . . . . . A . 3 CYS CA . . . . . . . . . c19501_2mdq 1 . 17 . 3398 . 1 1 3 CYS CB C -1.299 4.821 0.574 . . . 1.0 . . . . . . . . . . . . A . 3 CYS CB . . . . . . . . . c19501_2mdq 1 . 17 . 3399 . 1 1 3 CYS H H -2.217 4.124 -1.705 . . . 1.0 . . . . . . . . . . . . A . 3 CYS H . . . . . . . . . c19501_2mdq 1 . 17 . 3400 . 1 1 3 CYS HA H -1.234 2.710 0.513 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HA . . . . . . . . . c19501_2mdq 1 . 17 . 3401 . 1 1 3 CYS HB2 H -1.885 5.577 0.073 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HB2 . . . . . . . . . c19501_2mdq 1 . 17 . 3402 . 1 1 3 CYS HB3 H -1.387 4.971 1.629 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HB3 . . . . . . . . . c19501_2mdq 1 . 17 . 3403 . 1 1 3 CYS N N -2.212 3.344 -1.115 . . . 1.0 . . . . . . . . . . . . A . 3 CYS N . . . . . . . . . c19501_2mdq 1 . 17 . 3404 . 1 1 3 CYS O O -3.059 2.655 2.197 . . . 1.0 . . . . . . . . . . . . A . 3 CYS O . . . . . . . . . c19501_2mdq 1 . 17 . 3405 . 1 1 3 CYS SG S 0.429 4.991 0.019 . . . 1.0 . . . . . . . . . . . . A . 3 CYS SG . . . . . . . . . c19501_2mdq 1 . 17 . 3406 . 1 1 4 SER C C -6.047 2.021 1.011 . . . 1.0 . . . . . . . . . . . . A . 4 SER C . . . . . . . . . c19501_2mdq 1 . 17 . 3407 . 1 1 4 SER CA C -5.519 3.431 1.326 . . . 1.0 . . . . . . . . . . . . A . 4 SER CA . . . . . . . . . c19501_2mdq 1 . 17 . 3408 . 1 1 4 SER CB C -6.545 4.501 0.905 . . . 1.0 . . . . . . . . . . . . A . 4 SER CB . . . . . . . . . c19501_2mdq 1 . 17 . 3409 . 1 1 4 SER H H -4.200 4.125 -0.213 . . . 1.0 . . . . . . . . . . . . A . 4 SER H . . . . . . . . . c19501_2mdq 1 . 17 . 3410 . 1 1 4 SER HA H -5.340 3.509 2.388 . . . 1.0 . . . . . . . . . . . . A . 4 SER HA . . . . . . . . . c19501_2mdq 1 . 17 . 3411 . 1 1 4 SER HB2 H -6.156 5.481 1.138 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB2 . . . . . . . . . c19501_2mdq 1 . 17 . 3412 . 1 1 4 SER HB3 H -6.722 4.427 -0.157 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB3 . . . . . . . . . c19501_2mdq 1 . 17 . 3413 . 1 1 4 SER HG H -7.863 3.402 1.814 . . . 1.0 . . . . . . . . . . . . A . 4 SER HG . . . . . . . . . c19501_2mdq 1 . 17 . 3414 . 1 1 4 SER N N -4.259 3.651 0.643 . . . 1.0 . . . . . . . . . . . . A . 4 SER N . . . . . . . . . c19501_2mdq 1 . 17 . 3415 . 1 1 4 SER O O -7.112 1.627 1.471 . . . 1.0 . . . . . . . . . . . . A . 4 SER O . . . . . . . . . c19501_2mdq 1 . 17 . 3416 . 1 1 4 SER OG O -7.782 4.341 1.589 . . . 1.0 . . . . . . . . . . . . A . 4 SER OG . . . . . . . . . c19501_2mdq 1 . 17 . 3417 . 1 1 5 HIS C C -4.748 -1.072 0.469 . . . 1.0 . . . . . . . . . . . . A . 5 HIS C . . . . . . . . . c19501_2mdq 1 . 17 . 3418 . 1 1 5 HIS CA C -5.647 -0.047 -0.202 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CA . . . . . . . . . c19501_2mdq 1 . 17 . 3419 . 1 1 5 HIS CB C -5.503 -0.126 -1.714 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CB . . . . . . . . . c19501_2mdq 1 . 17 . 3420 . 1 1 5 HIS CD2 C -7.628 1.336 -2.022 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CD2 . . . . . . . . . c19501_2mdq 1 . 17 . 3421 . 1 1 5 HIS CE1 C -7.764 1.322 -4.180 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CE1 . . . . . . . . . c19501_2mdq 1 . 17 . 3422 . 1 1 5 HIS CG C -6.582 0.604 -2.475 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CG . . . . . . . . . c19501_2mdq 1 . 17 . 3423 . 1 1 5 HIS H H -4.417 1.631 -0.052 . . . 1.0 . . . . . . . . . . . . A . 5 HIS H . . . . . . . . . c19501_2mdq 1 . 17 . 3424 . 1 1 5 HIS HA H -6.678 -0.228 0.061 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HA . . . . . . . . . c19501_2mdq 1 . 17 . 3425 . 1 1 5 HIS HB2 H -4.557 0.353 -1.926 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB2 . . . . . . . . . c19501_2mdq 1 . 17 . 3426 . 1 1 5 HIS HB3 H -5.465 -1.153 -2.037 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB3 . . . . . . . . . c19501_2mdq 1 . 17 . 3427 . 1 1 5 HIS HD1 H -6.094 0.140 -4.472 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD1 . . . . . . . . . c19501_2mdq 1 . 17 . 3428 . 1 1 5 HIS HD2 H -7.846 1.531 -0.980 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD2 . . . . . . . . . c19501_2mdq 1 . 17 . 3429 . 1 1 5 HIS HE1 H -8.092 1.487 -5.197 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HE1 . . . . . . . . . c19501_2mdq 1 . 17 . 3430 . 1 1 5 HIS N N -5.288 1.285 0.236 . . . 1.0 . . . . . . . . . . . . A . 5 HIS N . . . . . . . . . c19501_2mdq 1 . 17 . 3431 . 1 1 5 HIS ND1 N -6.687 0.609 -3.844 . . . 1.0 . . . . . . . . . . . . A . 5 HIS ND1 . . . . . . . . . c19501_2mdq 1 . 17 . 3432 . 1 1 5 HIS NE2 N -8.376 1.790 -3.103 . . . 1.0 . . . . . . . . . . . . A . 5 HIS NE2 . . . . . . . . . c19501_2mdq 1 . 17 . 3433 . 1 1 5 HIS O O -3.576 -1.146 0.157 . . . 1.0 . . . . . . . . . . . . A . 5 HIS O . . . . . . . . . c19501_2mdq 1 . 17 . 3434 . 1 1 6 PRO C C -3.532 -3.726 1.433 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . c19501_2mdq 1 . 17 . 3435 . 1 1 6 PRO CA C -4.508 -2.820 2.211 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . c19501_2mdq 1 . 17 . 3436 . 1 1 6 PRO CB C -5.563 -3.663 2.925 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . c19501_2mdq 1 . 17 . 3437 . 1 1 6 PRO CD C -6.743 -1.998 1.673 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . c19501_2mdq 1 . 17 . 3438 . 1 1 6 PRO CG C -6.793 -2.825 2.924 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . c19501_2mdq 1 . 17 . 3439 . 1 1 6 PRO HA H -3.939 -2.275 2.947 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . c19501_2mdq 1 . 17 . 3440 . 1 1 6 PRO HB2 H -5.710 -4.580 2.379 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB2 . . . . . . . . . c19501_2mdq 1 . 17 . 3441 . 1 1 6 PRO HB3 H -5.237 -3.885 3.930 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . c19501_2mdq 1 . 17 . 3442 . 1 1 6 PRO HD2 H -7.264 -2.497 0.870 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD2 . . . . . . . . . c19501_2mdq 1 . 17 . 3443 . 1 1 6 PRO HD3 H -7.170 -1.024 1.860 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . c19501_2mdq 1 . 17 . 3444 . 1 1 6 PRO HG2 H -7.668 -3.458 2.921 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG2 . . . . . . . . . c19501_2mdq 1 . 17 . 3445 . 1 1 6 PRO HG3 H -6.799 -2.187 3.795 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . c19501_2mdq 1 . 17 . 3446 . 1 1 6 PRO N N -5.298 -1.895 1.379 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . c19501_2mdq 1 . 17 . 3447 . 1 1 6 PRO O O -2.345 -3.791 1.768 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . c19501_2mdq 1 . 17 . 3448 . 1 1 7 ALA C C -2.126 -4.599 -1.214 . . . 1.0 . . . . . . . . . . . . A . 7 ALA C . . . . . . . . . c19501_2mdq 1 . 17 . 3449 . 1 1 7 ALA CA C -3.162 -5.312 -0.352 . . . 1.0 . . . . . . . . . . . . A . 7 ALA CA . . . . . . . . . c19501_2mdq 1 . 17 . 3450 . 1 1 7 ALA CB C -3.981 -6.302 -1.165 . . . 1.0 . . . . . . . . . . . . A . 7 ALA CB . . . . . . . . . c19501_2mdq 1 . 17 . 3451 . 1 1 7 ALA H H -4.929 -4.222 0.113 . . . 1.0 . . . . . . . . . . . . A . 7 ALA H . . . . . . . . . c19501_2mdq 1 . 17 . 3452 . 1 1 7 ALA HA H -2.608 -5.869 0.390 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HA . . . . . . . . . c19501_2mdq 1 . 17 . 3453 . 1 1 7 ALA HB1 H -4.700 -6.793 -0.526 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB1 . . . . . . . . . c19501_2mdq 1 . 17 . 3454 . 1 1 7 ALA HB2 H -3.322 -7.043 -1.591 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB2 . . . . . . . . . c19501_2mdq 1 . 17 . 3455 . 1 1 7 ALA HB3 H -4.499 -5.788 -1.959 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB3 . . . . . . . . . c19501_2mdq 1 . 17 . 3456 . 1 1 7 ALA N N -4.005 -4.382 0.398 . . . 1.0 . . . . . . . . . . . . A . 7 ALA N . . . . . . . . . c19501_2mdq 1 . 17 . 3457 . 1 1 7 ALA O O -1.002 -5.077 -1.364 . . . 1.0 . . . . . . . . . . . . A . 7 ALA O . . . . . . . . . c19501_2mdq 1 . 17 . 3458 . 1 1 8 CYS C C -0.554 -1.936 -1.737 . . . 1.0 . . . . . . . . . . . . A . 8 CYS C . . . . . . . . . c19501_2mdq 1 . 17 . 3459 . 1 1 8 CYS CA C -1.545 -2.711 -2.600 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CA . . . . . . . . . c19501_2mdq 1 . 17 . 3460 . 1 1 8 CYS CB C -2.307 -1.750 -3.527 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CB . . . . . . . . . c19501_2mdq 1 . 17 . 3461 . 1 1 8 CYS H H -3.364 -3.069 -1.535 . . . 1.0 . . . . . . . . . . . . A . 8 CYS H . . . . . . . . . c19501_2mdq 1 . 17 . 3462 . 1 1 8 CYS HA H -1.005 -3.437 -3.189 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HA . . . . . . . . . c19501_2mdq 1 . 17 . 3463 . 1 1 8 CYS HB2 H -3.202 -2.234 -3.891 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB2 . . . . . . . . . c19501_2mdq 1 . 17 . 3464 . 1 1 8 CYS HB3 H -2.579 -0.885 -2.939 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB3 . . . . . . . . . c19501_2mdq 1 . 17 . 3465 . 1 1 8 CYS N N -2.471 -3.432 -1.727 . . . 1.0 . . . . . . . . . . . . A . 8 CYS N . . . . . . . . . c19501_2mdq 1 . 17 . 3466 . 1 1 8 CYS O O 0.543 -1.602 -2.152 . . . 1.0 . . . . . . . . . . . . A . 8 CYS O . . . . . . . . . c19501_2mdq 1 . 17 . 3467 . 1 1 8 CYS SG S -1.334 -1.167 -4.974 . . . 1.0 . . . . . . . . . . . . A . 8 CYS SG . . . . . . . . . c19501_2mdq 1 . 17 . 3468 . 1 1 9 ASN C C 1.071 -1.925 0.792 . . . 1.0 . . . . . . . . . . . . A . 9 ASN C . . . . . . . . . c19501_2mdq 1 . 17 . 3469 . 1 1 9 ASN CA C -0.122 -1.047 0.489 . . . 1.0 . . . . . . . . . . . . A . 9 ASN CA . . . . . . . . . c19501_2mdq 1 . 17 . 3470 . 1 1 9 ASN CB C -0.933 -0.892 1.758 . . . 1.0 . . . . . . . . . . . . A . 9 ASN CB . . . . . . . . . c19501_2mdq 1 . 17 . 3471 . 1 1 9 ASN CG C -0.296 -0.037 2.821 . . . 1.0 . . . . . . . . . . . . A . 9 ASN CG . . . . . . . . . c19501_2mdq 1 . 17 . 3472 . 1 1 9 ASN H H -1.857 -1.981 -0.254 . . . 1.0 . . . . . . . . . . . . A . 9 ASN H . . . . . . . . . c19501_2mdq 1 . 17 . 3473 . 1 1 9 ASN HA H 0.184 -0.079 0.129 . . . 1.0 . . . . . . . . . . . . A . 9 ASN HA . . . . . . . . . c19501_2mdq 1 . 17 . 3474 . 1 1 9 ASN HB2 H -1.910 -0.512 1.511 . . . 1.0 . . . . . . . . . . . . A . 9 ASN HB2 . . . . . . . . . c19501_2mdq 1 . 17 . 3475 . 1 1 9 ASN HB3 H -1.046 -1.890 2.141 . . . 1.0 . . . . . . . . . . . . A . 9 ASN HB3 . . . . . . . . . c19501_2mdq 1 . 17 . 3476 . 1 1 9 ASN HD21 H -1.415 1.470 2.264 . . . 1.0 . . . . . . . . . . . . A . 9 ASN HD21 . . . . . . . . . c19501_2mdq 1 . 17 . 3477 . 1 1 9 ASN HD22 H -0.324 1.779 3.572 . . . 1.0 . . . . . . . . . . . . A . 9 ASN HD22 . . . . . . . . . c19501_2mdq 1 . 17 . 3478 . 1 1 9 ASN N N -0.945 -1.715 -0.504 . . . 1.0 . . . . . . . . . . . . A . 9 ASN N . . . . . . . . . c19501_2mdq 1 . 17 . 3479 . 1 1 9 ASN ND2 N -0.716 1.187 2.895 . . . 1.0 . . . . . . . . . . . . A . 9 ASN ND2 . . . . . . . . . c19501_2mdq 1 . 17 . 3480 . 1 1 9 ASN O O 2.196 -1.461 0.915 . . . 1.0 . . . . . . . . . . . . A . 9 ASN O . . . . . . . . . c19501_2mdq 1 . 17 . 3481 . 1 1 9 ASN OD1 O 0.511 -0.502 3.618 . . . 1.0 . . . . . . . . . . . . A . 9 ASN OD1 . . . . . . . . . c19501_2mdq 1 . 17 . 3482 . 1 1 10 VAL C C 2.864 -4.285 0.077 . . . 1.0 . . . . . . . . . . . . A . 10 VAL C . . . . . . . . . c19501_2mdq 1 . 17 . 3483 . 1 1 10 VAL CA C 1.798 -4.229 1.169 . . . 1.0 . . . . . . . . . . . . A . 10 VAL CA . . . . . . . . . c19501_2mdq 1 . 17 . 3484 . 1 1 10 VAL CB C 1.156 -5.629 1.348 . . . 1.0 . . . . . . . . . . . . A . 10 VAL CB . . . . . . . . . c19501_2mdq 1 . 17 . 3485 . 1 1 10 VAL CG1 C 2.205 -6.704 1.624 . . . 1.0 . . . . . . . . . . . . A . 10 VAL CG1 . . . . . . . . . c19501_2mdq 1 . 17 . 3486 . 1 1 10 VAL CG2 C 0.138 -5.607 2.465 . . . 1.0 . . . . . . . . . . . . A . 10 VAL CG2 . . . . . . . . . c19501_2mdq 1 . 17 . 3487 . 1 1 10 VAL H H -0.147 -3.449 0.753 . . . 1.0 . . . . . . . . . . . . A . 10 VAL H . . . . . . . . . c19501_2mdq 1 . 17 . 3488 . 1 1 10 VAL HA H 2.276 -3.958 2.096 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HA . . . . . . . . . c19501_2mdq 1 . 17 . 3489 . 1 1 10 VAL HB H 0.645 -5.856 0.429 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HB . . . . . . . . . c19501_2mdq 1 . 17 . 3490 . 1 1 10 VAL HG11 H 2.893 -6.755 0.793 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG11 . . . . . . . . . c19501_2mdq 1 . 17 . 3491 . 1 1 10 VAL HG12 H 1.719 -7.661 1.749 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG12 . . . . . . . . . c19501_2mdq 1 . 17 . 3492 . 1 1 10 VAL HG13 H 2.747 -6.456 2.525 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG13 . . . . . . . . . c19501_2mdq 1 . 17 . 3493 . 1 1 10 VAL HG21 H -0.632 -4.886 2.234 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG21 . . . . . . . . . c19501_2mdq 1 . 17 . 3494 . 1 1 10 VAL HG22 H 0.622 -5.333 3.391 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG22 . . . . . . . . . c19501_2mdq 1 . 17 . 3495 . 1 1 10 VAL HG23 H -0.304 -6.586 2.563 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG23 . . . . . . . . . c19501_2mdq 1 . 17 . 3496 . 1 1 10 VAL N N 0.794 -3.209 0.882 . . . 1.0 . . . . . . . . . . . . A . 10 VAL N . . . . . . . . . c19501_2mdq 1 . 17 . 3497 . 1 1 10 VAL O O 4.052 -4.486 0.361 . . . 1.0 . . . . . . . . . . . . A . 10 VAL O . . . . . . . . . c19501_2mdq 1 . 17 . 3498 . 1 1 11 ASP C C 4.071 -2.754 -2.455 . . . 1.0 . . . . . . . . . . . . A . 11 ASP C . . . . . . . . . c19501_2mdq 1 . 17 . 3499 . 1 1 11 ASP CA C 3.443 -4.113 -2.243 . . . 1.0 . . . . . . . . . . . . A . 11 ASP CA . . . . . . . . . c19501_2mdq 1 . 17 . 3500 . 1 1 11 ASP CB C 2.902 -4.707 -3.562 . . . 1.0 . . . . . . . . . . . . A . 11 ASP CB . . . . . . . . . c19501_2mdq 1 . 17 . 3501 . 1 1 11 ASP CG C 1.877 -3.857 -4.269 . . . 1.0 . . . . . . . . . . . . A . 11 ASP CG . . . . . . . . . c19501_2mdq 1 . 17 . 3502 . 1 1 11 ASP H H 1.526 -3.890 -1.370 . . . 1.0 . . . . . . . . . . . . A . 11 ASP H . . . . . . . . . c19501_2mdq 1 . 17 . 3503 . 1 1 11 ASP HA H 4.236 -4.743 -1.875 . . . 1.0 . . . . . . . . . . . . A . 11 ASP HA . . . . . . . . . c19501_2mdq 1 . 17 . 3504 . 1 1 11 ASP HB2 H 3.728 -4.852 -4.243 . . . 1.0 . . . . . . . . . . . . A . 11 ASP HB2 . . . . . . . . . c19501_2mdq 1 . 17 . 3505 . 1 1 11 ASP HB3 H 2.460 -5.669 -3.347 . . . 1.0 . . . . . . . . . . . . A . 11 ASP HB3 . . . . . . . . . c19501_2mdq 1 . 17 . 3506 . 1 1 11 ASP N N 2.468 -4.079 -1.166 . . . 1.0 . . . . . . . . . . . . A . 11 ASP N . . . . . . . . . c19501_2mdq 1 . 17 . 3507 . 1 1 11 ASP O O 4.942 -2.587 -3.304 . . . 1.0 . . . . . . . . . . . . A . 11 ASP O . . . . . . . . . c19501_2mdq 1 . 17 . 3508 . 1 1 11 ASP OD1 O 2.271 -2.945 -5.032 . . . 1.0 . . . . . . . . . . . . A . 11 ASP OD1 . . . . . . . . . c19501_2mdq 1 . 17 . 3509 . 1 1 11 ASP OD2 O 0.681 -4.127 -4.129 . . . 1.0 . . . . . . . . . . . . A . 11 ASP OD2 . . . . . . . . . c19501_2mdq 1 . 17 . 3510 . 1 1 12 HIS C C 4.859 -0.160 -0.286 . . . 1.0 . . . . . . . . . . . . A . 12 HIS C . . . . . . . . . c19501_2mdq 1 . 17 . 3511 . 1 1 12 HIS CA C 4.228 -0.475 -1.657 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CA . . . . . . . . . c19501_2mdq 1 . 17 . 3512 . 1 1 12 HIS CB C 3.115 0.526 -1.877 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CB . . . . . . . . . c19501_2mdq 1 . 17 . 3513 . 1 1 12 HIS CD2 C 2.185 1.838 -3.862 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CD2 . . . . . . . . . c19501_2mdq 1 . 17 . 3514 . 1 1 12 HIS CE1 C 2.057 0.265 -5.333 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CE1 . . . . . . . . . c19501_2mdq 1 . 17 . 3515 . 1 1 12 HIS CG C 2.608 0.712 -3.266 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CG . . . . . . . . . c19501_2mdq 1 . 17 . 3516 . 1 1 12 HIS H H 2.938 -1.969 -1.017 . . . 1.0 . . . . . . . . . . . . A . 12 HIS H . . . . . . . . . c19501_2mdq 1 . 17 . 3517 . 1 1 12 HIS HA H 4.940 -0.378 -2.458 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HA . . . . . . . . . c19501_2mdq 1 . 17 . 3518 . 1 1 12 HIS HB2 H 2.288 0.194 -1.279 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HB2 . . . . . . . . . c19501_2mdq 1 . 17 . 3519 . 1 1 12 HIS HB3 H 3.454 1.465 -1.483 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HB3 . . . . . . . . . c19501_2mdq 1 . 17 . 3520 . 1 1 12 HIS HD1 H 2.676 -1.242 -4.114 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HD1 . . . . . . . . . c19501_2mdq 1 . 17 . 3521 . 1 1 12 HIS HD2 H 2.117 2.807 -3.391 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HD2 . . . . . . . . . c19501_2mdq 1 . 17 . 3522 . 1 1 12 HIS HE1 H 1.896 -0.292 -6.244 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HE1 . . . . . . . . . c19501_2mdq 1 . 17 . 3523 . 1 1 12 HIS N N 3.663 -1.799 -1.653 . . . 1.0 . . . . . . . . . . . . A . 12 HIS N . . . . . . . . . c19501_2mdq 1 . 17 . 3524 . 1 1 12 HIS ND1 N 2.510 -0.275 -4.216 . . . 1.0 . . . . . . . . . . . . A . 12 HIS ND1 . . . . . . . . . c19501_2mdq 1 . 17 . 3525 . 1 1 12 HIS NE2 N 1.837 1.561 -5.179 . . . 1.0 . . . . . . . . . . . . A . 12 HIS NE2 . . . . . . . . . c19501_2mdq 1 . 17 . 3526 . 1 1 12 HIS O O 4.390 0.747 0.422 . . . 1.0 . . . . . . . . . . . . A . 12 HIS O . . . . . . . . . c19501_2mdq 1 . 17 . 3527 . 1 1 13 PRO C C 7.382 0.695 1.465 . . . 1.0 . . . . . . . . . . . . A . 13 PRO C . . . . . . . . . c19501_2mdq 1 . 17 . 3528 . 1 1 13 PRO CA C 6.595 -0.599 1.393 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CA . . . . . . . . . c19501_2mdq 1 . 17 . 3529 . 1 1 13 PRO CB C 7.507 -1.813 1.547 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CB . . . . . . . . . c19501_2mdq 1 . 17 . 3530 . 1 1 13 PRO CD C 6.762 -1.760 -0.739 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CD . . . . . . . . . c19501_2mdq 1 . 17 . 3531 . 1 1 13 PRO CG C 7.906 -2.170 0.154 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CG . . . . . . . . . c19501_2mdq 1 . 17 . 3532 . 1 1 13 PRO HA H 5.846 -0.593 2.167 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HA . . . . . . . . . c19501_2mdq 1 . 17 . 3533 . 1 1 13 PRO HB2 H 8.363 -1.548 2.150 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HB2 . . . . . . . . . c19501_2mdq 1 . 17 . 3534 . 1 1 13 PRO HB3 H 6.963 -2.619 2.016 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HB3 . . . . . . . . . c19501_2mdq 1 . 17 . 3535 . 1 1 13 PRO HD2 H 7.126 -1.274 -1.631 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HD2 . . . . . . . . . c19501_2mdq 1 . 17 . 3536 . 1 1 13 PRO HD3 H 6.151 -2.614 -0.995 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HD3 . . . . . . . . . c19501_2mdq 1 . 17 . 3537 . 1 1 13 PRO HG2 H 8.802 -1.630 -0.118 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HG2 . . . . . . . . . c19501_2mdq 1 . 17 . 3538 . 1 1 13 PRO HG3 H 8.076 -3.234 0.081 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HG3 . . . . . . . . . c19501_2mdq 1 . 17 . 3539 . 1 1 13 PRO N N 5.992 -0.795 0.076 . . . 1.0 . . . . . . . . . . . . A . 13 PRO N . . . . . . . . . c19501_2mdq 1 . 17 . 3540 . 1 1 13 PRO O O 7.664 1.225 2.541 . . . 1.0 . . . . . . . . . . . . A . 13 PRO O . . . . . . . . . c19501_2mdq 1 . 17 . 3541 . 1 1 14 GLU C C 7.539 3.576 -0.157 . . . 1.0 . . . . . . . . . . . . A . 14 GLU C . . . . . . . . . c19501_2mdq 1 . 17 . 3542 . 1 1 14 GLU CA C 8.445 2.389 0.164 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CA . . . . . . . . . c19501_2mdq 1 . 17 . 3543 . 1 1 14 GLU CB C 9.471 2.175 -0.927 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CB . . . . . . . . . c19501_2mdq 1 . 17 . 3544 . 1 1 14 GLU CD C 10.007 1.544 -3.301 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CD . . . . . . . . . c19501_2mdq 1 . 17 . 3545 . 1 1 14 GLU CG C 8.916 1.703 -2.268 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CG . . . . . . . . . c19501_2mdq 1 . 17 . 3546 . 1 1 14 GLU H H 7.432 0.731 -0.497 . . . 1.0 . . . . . . . . . . . . A . 14 GLU H . . . . . . . . . c19501_2mdq 1 . 17 . 3547 . 1 1 14 GLU HA H 8.971 2.577 1.087 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HA . . . . . . . . . c19501_2mdq 1 . 17 . 3548 . 1 1 14 GLU HB2 H 9.915 3.136 -1.101 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HB2 . . . . . . . . . c19501_2mdq 1 . 17 . 3549 . 1 1 14 GLU HB3 H 10.220 1.475 -0.590 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HB3 . . . . . . . . . c19501_2mdq 1 . 17 . 3550 . 1 1 14 GLU HG2 H 8.427 0.750 -2.129 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HG2 . . . . . . . . . c19501_2mdq 1 . 17 . 3551 . 1 1 14 GLU HG3 H 8.200 2.428 -2.625 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HG3 . . . . . . . . . c19501_2mdq 1 . 17 . 3552 . 1 1 14 GLU N N 7.697 1.203 0.314 . . . 1.0 . . . . . . . . . . . . A . 14 GLU N . . . . . . . . . c19501_2mdq 1 . 17 . 3553 . 1 1 14 GLU O O 8.003 4.702 -0.329 . . . 1.0 . . . . . . . . . . . . A . 14 GLU O . . . . . . . . . c19501_2mdq 1 . 17 . 3554 . 1 1 14 GLU OE1 O 10.641 2.557 -3.654 . . . 1.0 . . . . . . . . . . . . A . 14 GLU OE1 . . . . . . . . . c19501_2mdq 1 . 17 . 3555 . 1 1 14 GLU OE2 O 10.274 0.406 -3.756 . . . 1.0 . . . . . . . . . . . . A . 14 GLU OE2 . . . . . . . . . c19501_2mdq 1 . 17 . 3556 . 1 1 15 ILE C C 4.426 4.601 0.650 . . . 1.0 . . . . . . . . . . . . A . 15 ILE C . . . . . . . . . c19501_2mdq 1 . 17 . 3557 . 1 1 15 ILE CA C 5.309 4.393 -0.545 . . . 1.0 . . . . . . . . . . . . A . 15 ILE CA . . . . . . . . . c19501_2mdq 1 . 17 . 3558 . 1 1 15 ILE CB C 4.380 4.046 -1.747 . . . 1.0 . . . . . . . . . . . . A . 15 ILE CB . . . . . . . . . c19501_2mdq 1 . 17 . 3559 . 1 1 15 ILE CD1 C 6.120 4.504 -3.558 . . . 1.0 . . . . . . . . . . . . A . 15 ILE CD1 . . . . . . . . . c19501_2mdq 1 . 17 . 3560 . 1 1 15 ILE CG1 C 5.168 3.517 -2.954 . . . 1.0 . . . . . . . . . . . . A . 15 ILE CG1 . . . . . . . . . c19501_2mdq 1 . 17 . 3561 . 1 1 15 ILE CG2 C 3.536 5.263 -2.149 . . . 1.0 . . . . . . . . . . . . A . 15 ILE CG2 . . . . . . . . . c19501_2mdq 1 . 17 . 3562 . 1 1 15 ILE H H 5.921 2.418 -0.060 . . . 1.0 . . . . . . . . . . . . A . 15 ILE H . . . . . . . . . c19501_2mdq 1 . 17 . 3563 . 1 1 15 ILE HA H 5.850 5.298 -0.760 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HA . . . . . . . . . c19501_2mdq 1 . 17 . 3564 . 1 1 15 ILE HB H 3.686 3.295 -1.412 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HB . . . . . . . . . c19501_2mdq 1 . 17 . 3565 . 1 1 15 ILE HD11 H 6.606 4.051 -4.409 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HD11 . . . . . . . . . c19501_2mdq 1 . 17 . 3566 . 1 1 15 ILE HD12 H 6.853 4.779 -2.816 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HD12 . . . . . . . . . c19501_2mdq 1 . 17 . 3567 . 1 1 15 ILE HD13 H 5.563 5.376 -3.870 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HD13 . . . . . . . . . c19501_2mdq 1 . 17 . 3568 . 1 1 15 ILE HG12 H 5.746 2.659 -2.644 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HG12 . . . . . . . . . c19501_2mdq 1 . 17 . 3569 . 1 1 15 ILE HG13 H 4.470 3.210 -3.719 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HG13 . . . . . . . . . c19501_2mdq 1 . 17 . 3570 . 1 1 15 ILE HG21 H 2.930 5.573 -1.311 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HG21 . . . . . . . . . c19501_2mdq 1 . 17 . 3571 . 1 1 15 ILE HG22 H 2.895 5.000 -2.977 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HG22 . . . . . . . . . c19501_2mdq 1 . 17 . 3572 . 1 1 15 ILE HG23 H 4.188 6.072 -2.443 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HG23 . . . . . . . . . c19501_2mdq 1 . 17 . 3573 . 1 1 15 ILE N N 6.249 3.325 -0.239 . . . 1.0 . . . . . . . . . . . . A . 15 ILE N . . . . . . . . . c19501_2mdq 1 . 17 . 3574 . 1 1 15 ILE O O 4.334 5.689 1.209 . . . 1.0 . . . . . . . . . . . . A . 15 ILE O . . . . . . . . . c19501_2mdq 1 . 17 . 3575 . 1 1 16 CYS C C 3.455 3.001 3.361 . . . 1.0 . . . . . . . . . . . . A . 16 CYS C . . . . . . . . . c19501_2mdq 1 . 17 . 3576 . 1 1 16 CYS CA C 2.856 3.549 2.080 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CA . . . . . . . . . c19501_2mdq 1 . 17 . 3577 . 1 1 16 CYS CB C 1.702 2.707 1.632 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CB . . . . . . . . . c19501_2mdq 1 . 17 . 3578 . 1 1 16 CYS H H 4.036 2.675 0.634 . . . 1.0 . . . . . . . . . . . . A . 16 CYS H . . . . . . . . . c19501_2mdq 1 . 17 . 3579 . 1 1 16 CYS HA H 2.501 4.550 2.233 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HA . . . . . . . . . c19501_2mdq 1 . 17 . 3580 . 1 1 16 CYS HB2 H 2.059 1.695 1.658 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB2 . . . . . . . . . c19501_2mdq 1 . 17 . 3581 . 1 1 16 CYS HB3 H 0.873 2.816 2.316 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB3 . . . . . . . . . c19501_2mdq 1 . 17 . 3582 . 1 1 16 CYS N N 3.824 3.539 1.048 . . . 1.0 . . . . . . . . . . . . A . 16 CYS N . . . . . . . . . c19501_2mdq 1 . 17 . 3583 . 1 1 16 CYS O O 3.501 1.797 3.571 . . . 1.0 . . . . . . . . . . . . A . 16 CYS O . . . . . . . . . c19501_2mdq 1 . 17 . 3584 . 1 1 16 CYS SG S 1.106 3.076 -0.067 . . . 1.0 . . . . . . . . . . . . A . 16 CYS SG . . . . . . . . . c19501_2mdq 1 . 17 . 3585 . 1 1 17 NH2 HN1 H 3.884 4.828 3.954 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 HN1 . . . . . . . . . c19501_2mdq 1 . 17 . 3586 . 1 1 17 NH2 HN2 H 4.387 3.549 5.007 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 HN2 . . . . . . . . . c19501_2mdq 1 . 17 . 3587 . 1 1 17 NH2 N N 3.960 3.880 4.190 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 N . . . . . . . . . c19501_2mdq 1 . 18 . 3588 . 1 1 1 GLY C C -3.776 4.146 -3.411 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c19501_2mdq 1 . 18 . 3589 . 1 1 1 GLY CA C -3.667 5.510 -4.044 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c19501_2mdq 1 . 18 . 3590 . 1 1 1 GLY H1 H -4.482 6.629 -5.555 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c19501_2mdq 1 . 18 . 3591 . 1 1 1 GLY H2 H -5.558 5.522 -4.846 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H2 . . . . . . . . . c19501_2mdq 1 . 18 . 3592 . 1 1 1 GLY H3 H -4.350 4.987 -5.907 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H3 . . . . . . . . . c19501_2mdq 1 . 18 . 3593 . 1 1 1 GLY HA2 H -2.654 5.663 -4.384 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c19501_2mdq 1 . 18 . 3594 . 1 1 1 GLY HA3 H -3.909 6.260 -3.306 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c19501_2mdq 1 . 18 . 3595 . 1 1 1 GLY N N -4.579 5.671 -5.159 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c19501_2mdq 1 . 18 . 3596 . 1 1 1 GLY O O -4.743 3.848 -2.682 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c19501_2mdq 1 . 18 . 3597 . 1 1 2 CYS C C -2.626 1.896 -1.654 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . c19501_2mdq 1 . 18 . 3598 . 1 1 2 CYS CA C -2.723 1.986 -3.146 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . c19501_2mdq 1 . 18 . 3599 . 1 1 2 CYS CB C -1.607 1.249 -3.782 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . c19501_2mdq 1 . 18 . 3600 . 1 1 2 CYS H H -2.020 3.615 -4.198 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . c19501_2mdq 1 . 18 . 3601 . 1 1 2 CYS HA H -3.631 1.511 -3.460 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . c19501_2mdq 1 . 18 . 3602 . 1 1 2 CYS HB2 H -0.885 2.015 -3.996 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . c19501_2mdq 1 . 18 . 3603 . 1 1 2 CYS HB3 H -1.193 0.529 -3.097 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . c19501_2mdq 1 . 18 . 3604 . 1 1 2 CYS N N -2.783 3.326 -3.650 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . c19501_2mdq 1 . 18 . 3605 . 1 1 2 CYS O O -2.942 0.885 -1.080 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . c19501_2mdq 1 . 18 . 3606 . 1 1 2 CYS SG S -2.038 0.449 -5.347 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . c19501_2mdq 1 . 18 . 3607 . 1 1 3 CYS C C -3.453 2.919 1.074 . . . 1.0 . . . . . . . . . . . . A . 3 CYS C . . . . . . . . . c19501_2mdq 1 . 18 . 3608 . 1 1 3 CYS CA C -2.113 2.970 0.383 . . . 1.0 . . . . . . . . . . . . A . 3 CYS CA . . . . . . . . . c19501_2mdq 1 . 18 . 3609 . 1 1 3 CYS CB C -1.262 4.108 0.855 . . . 1.0 . . . . . . . . . . . . A . 3 CYS CB . . . . . . . . . c19501_2mdq 1 . 18 . 3610 . 1 1 3 CYS H H -1.948 3.723 -1.559 . . . 1.0 . . . . . . . . . . . . A . 3 CYS H . . . . . . . . . c19501_2mdq 1 . 18 . 3611 . 1 1 3 CYS HA H -1.623 2.047 0.633 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HA . . . . . . . . . c19501_2mdq 1 . 18 . 3612 . 1 1 3 CYS HB2 H -1.477 4.960 0.226 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HB2 . . . . . . . . . c19501_2mdq 1 . 18 . 3613 . 1 1 3 CYS HB3 H -1.566 4.324 1.860 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HB3 . . . . . . . . . c19501_2mdq 1 . 18 . 3614 . 1 1 3 CYS N N -2.218 2.940 -1.035 . . . 1.0 . . . . . . . . . . . . A . 3 CYS N . . . . . . . . . c19501_2mdq 1 . 18 . 3615 . 1 1 3 CYS O O -3.584 2.327 2.139 . . . 1.0 . . . . . . . . . . . . A . 3 CYS O . . . . . . . . . c19501_2mdq 1 . 18 . 3616 . 1 1 3 CYS SG S 0.528 3.789 0.755 . . . 1.0 . . . . . . . . . . . . A . 3 CYS SG . . . . . . . . . c19501_2mdq 1 . 18 . 3617 . 1 1 4 SER C C -6.402 1.967 0.779 . . . 1.0 . . . . . . . . . . . . A . 4 SER C . . . . . . . . . c19501_2mdq 1 . 18 . 3618 . 1 1 4 SER CA C -5.816 3.404 0.938 . . . 1.0 . . . . . . . . . . . . A . 4 SER CA . . . . . . . . . c19501_2mdq 1 . 18 . 3619 . 1 1 4 SER CB C -6.668 4.411 0.161 . . . 1.0 . . . . . . . . . . . . A . 4 SER CB . . . . . . . . . c19501_2mdq 1 . 18 . 3620 . 1 1 4 SER H H -4.199 3.946 -0.379 . . . 1.0 . . . . . . . . . . . . A . 4 SER H . . . . . . . . . c19501_2mdq 1 . 18 . 3621 . 1 1 4 SER HA H -5.808 3.674 1.982 . . . 1.0 . . . . . . . . . . . . A . 4 SER HA . . . . . . . . . c19501_2mdq 1 . 18 . 3622 . 1 1 4 SER HB2 H -6.760 4.084 -0.865 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB2 . . . . . . . . . c19501_2mdq 1 . 18 . 3623 . 1 1 4 SER HB3 H -7.649 4.474 0.608 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB3 . . . . . . . . . c19501_2mdq 1 . 18 . 3624 . 1 1 4 SER HG H -6.167 6.042 1.084 . . . 1.0 . . . . . . . . . . . . A . 4 SER HG . . . . . . . . . c19501_2mdq 1 . 18 . 3625 . 1 1 4 SER N N -4.440 3.456 0.438 . . . 1.0 . . . . . . . . . . . . A . 4 SER N . . . . . . . . . c19501_2mdq 1 . 18 . 3626 . 1 1 4 SER O O -7.547 1.695 1.152 . . . 1.0 . . . . . . . . . . . . A . 4 SER O . . . . . . . . . c19501_2mdq 1 . 18 . 3627 . 1 1 4 SER OG O -6.067 5.711 0.181 . . . 1.0 . . . . . . . . . . . . A . 4 SER OG . . . . . . . . . c19501_2mdq 1 . 18 . 3628 . 1 1 5 HIS C C -4.924 -1.222 0.616 . . . 1.0 . . . . . . . . . . . . A . 5 HIS C . . . . . . . . . c19501_2mdq 1 . 18 . 3629 . 1 1 5 HIS CA C -5.957 -0.298 -0.037 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CA . . . . . . . . . c19501_2mdq 1 . 18 . 3630 . 1 1 5 HIS CB C -5.926 -0.542 -1.552 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CB . . . . . . . . . c19501_2mdq 1 . 18 . 3631 . 1 1 5 HIS CD2 C -6.924 1.522 -2.778 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CD2 . . . . . . . . . c19501_2mdq 1 . 18 . 3632 . 1 1 5 HIS CE1 C -8.752 0.624 -3.530 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CE1 . . . . . . . . . c19501_2mdq 1 . 18 . 3633 . 1 1 5 HIS CG C -6.937 0.231 -2.357 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CG . . . . . . . . . c19501_2mdq 1 . 18 . 3634 . 1 1 5 HIS H H -4.677 1.344 0.005 . . . 1.0 . . . . . . . . . . . . A . 5 HIS H . . . . . . . . . c19501_2mdq 1 . 18 . 3635 . 1 1 5 HIS HA H -6.952 -0.484 0.336 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HA . . . . . . . . . c19501_2mdq 1 . 18 . 3636 . 1 1 5 HIS HB2 H -4.944 -0.221 -1.873 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB2 . . . . . . . . . c19501_2mdq 1 . 18 . 3637 . 1 1 5 HIS HB3 H -6.040 -1.598 -1.750 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB3 . . . . . . . . . c19501_2mdq 1 . 18 . 3638 . 1 1 5 HIS HD1 H -8.404 -1.237 -2.701 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD1 . . . . . . . . . c19501_2mdq 1 . 18 . 3639 . 1 1 5 HIS HD2 H -6.144 2.243 -2.575 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD2 . . . . . . . . . c19501_2mdq 1 . 18 . 3640 . 1 1 5 HIS HE1 H -9.701 0.465 -4.022 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HE1 . . . . . . . . . c19501_2mdq 1 . 18 . 3641 . 1 1 5 HIS N N -5.594 1.076 0.231 . . . 1.0 . . . . . . . . . . . . A . 5 HIS N . . . . . . . . . c19501_2mdq 1 . 18 . 3642 . 1 1 5 HIS ND1 N -8.100 -0.311 -2.843 . . . 1.0 . . . . . . . . . . . . A . 5 HIS ND1 . . . . . . . . . c19501_2mdq 1 . 18 . 3643 . 1 1 5 HIS NE2 N -8.078 1.773 -3.523 . . . 1.0 . . . . . . . . . . . . A . 5 HIS NE2 . . . . . . . . . c19501_2mdq 1 . 18 . 3644 . 1 1 5 HIS O O -3.832 -1.357 0.098 . . . 1.0 . . . . . . . . . . . . A . 5 HIS O . . . . . . . . . c19501_2mdq 1 . 18 . 3645 . 1 1 6 PRO C C -3.585 -3.779 1.598 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . c19501_2mdq 1 . 18 . 3646 . 1 1 6 PRO CA C -4.291 -2.737 2.485 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . c19501_2mdq 1 . 18 . 3647 . 1 1 6 PRO CB C -5.158 -3.437 3.541 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . c19501_2mdq 1 . 18 . 3648 . 1 1 6 PRO CD C -6.539 -1.829 2.426 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . c19501_2mdq 1 . 18 . 3649 . 1 1 6 PRO CG C -6.565 -3.138 3.157 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . c19501_2mdq 1 . 18 . 3650 . 1 1 6 PRO HA H -3.537 -2.140 2.978 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . c19501_2mdq 1 . 18 . 3651 . 1 1 6 PRO HB2 H -4.961 -4.499 3.518 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB2 . . . . . . . . . c19501_2mdq 1 . 18 . 3652 . 1 1 6 PRO HB3 H -4.925 -3.048 4.521 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . c19501_2mdq 1 . 18 . 3653 . 1 1 6 PRO HD2 H -7.357 -1.792 1.723 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD2 . . . . . . . . . c19501_2mdq 1 . 18 . 3654 . 1 1 6 PRO HD3 H -6.595 -0.996 3.112 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . c19501_2mdq 1 . 18 . 3655 . 1 1 6 PRO HG2 H -6.946 -3.920 2.518 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG2 . . . . . . . . . c19501_2mdq 1 . 18 . 3656 . 1 1 6 PRO HG3 H -7.171 -3.057 4.046 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . c19501_2mdq 1 . 18 . 3657 . 1 1 6 PRO N N -5.243 -1.870 1.749 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . c19501_2mdq 1 . 18 . 3658 . 1 1 6 PRO O O -2.392 -4.065 1.785 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . c19501_2mdq 1 . 18 . 3659 . 1 1 7 ALA C C -2.661 -4.721 -1.174 . . . 1.0 . . . . . . . . . . . . A . 7 ALA C . . . . . . . . . c19501_2mdq 1 . 18 . 3660 . 1 1 7 ALA CA C -3.744 -5.300 -0.275 . . . 1.0 . . . . . . . . . . . . A . 7 ALA CA . . . . . . . . . c19501_2mdq 1 . 18 . 3661 . 1 1 7 ALA CB C -4.837 -5.938 -1.113 . . . 1.0 . . . . . . . . . . . . A . 7 ALA CB . . . . . . . . . c19501_2mdq 1 . 18 . 3662 . 1 1 7 ALA H H -5.218 -3.993 0.482 . . . 1.0 . . . . . . . . . . . . A . 7 ALA H . . . . . . . . . c19501_2mdq 1 . 18 . 3663 . 1 1 7 ALA HA H -3.302 -6.069 0.340 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HA . . . . . . . . . c19501_2mdq 1 . 18 . 3664 . 1 1 7 ALA HB1 H -5.603 -6.339 -0.467 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB1 . . . . . . . . . c19501_2mdq 1 . 18 . 3665 . 1 1 7 ALA HB2 H -4.415 -6.735 -1.707 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB2 . . . . . . . . . c19501_2mdq 1 . 18 . 3666 . 1 1 7 ALA HB3 H -5.270 -5.194 -1.766 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB3 . . . . . . . . . c19501_2mdq 1 . 18 . 3667 . 1 1 7 ALA N N -4.292 -4.296 0.613 . . . 1.0 . . . . . . . . . . . . A . 7 ALA N . . . . . . . . . c19501_2mdq 1 . 18 . 3668 . 1 1 7 ALA O O -1.711 -5.405 -1.500 . . . 1.0 . . . . . . . . . . . . A . 7 ALA O . . . . . . . . . c19501_2mdq 1 . 18 . 3669 . 1 1 8 CYS C C -0.804 -2.040 -1.639 . . . 1.0 . . . . . . . . . . . . A . 8 CYS C . . . . . . . . . c19501_2mdq 1 . 18 . 3670 . 1 1 8 CYS CA C -1.828 -2.831 -2.454 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CA . . . . . . . . . c19501_2mdq 1 . 18 . 3671 . 1 1 8 CYS CB C -2.558 -1.906 -3.441 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CB . . . . . . . . . c19501_2mdq 1 . 18 . 3672 . 1 1 8 CYS H H -3.557 -2.943 -1.213 . . . 1.0 . . . . . . . . . . . . A . 8 CYS H . . . . . . . . . c19501_2mdq 1 . 18 . 3673 . 1 1 8 CYS HA H -1.302 -3.599 -2.998 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HA . . . . . . . . . c19501_2mdq 1 . 18 . 3674 . 1 1 8 CYS HB2 H -3.493 -2.360 -3.732 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB2 . . . . . . . . . c19501_2mdq 1 . 18 . 3675 . 1 1 8 CYS HB3 H -2.760 -0.983 -2.913 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB3 . . . . . . . . . c19501_2mdq 1 . 18 . 3676 . 1 1 8 CYS N N -2.795 -3.463 -1.549 . . . 1.0 . . . . . . . . . . . . A . 8 CYS N . . . . . . . . . c19501_2mdq 1 . 18 . 3677 . 1 1 8 CYS O O 0.287 -1.720 -2.102 . . . 1.0 . . . . . . . . . . . . A . 8 CYS O . . . . . . . . . c19501_2mdq 1 . 18 . 3678 . 1 1 8 CYS SG S -1.614 -1.499 -4.967 . . . 1.0 . . . . . . . . . . . . A . 8 CYS SG . . . . . . . . . c19501_2mdq 1 . 18 . 3679 . 1 1 9 ASN C C 0.953 -1.680 0.784 . . . 1.0 . . . . . . . . . . . . A . 9 ASN C . . . . . . . . . c19501_2mdq 1 . 18 . 3680 . 1 1 9 ASN CA C -0.363 -0.985 0.531 . . . 1.0 . . . . . . . . . . . . A . 9 ASN CA . . . . . . . . . c19501_2mdq 1 . 18 . 3681 . 1 1 9 ASN CB C -1.104 -0.906 1.850 . . . 1.0 . . . . . . . . . . . . A . 9 ASN CB . . . . . . . . . c19501_2mdq 1 . 18 . 3682 . 1 1 9 ASN CG C -0.498 0.056 2.842 . . . 1.0 . . . . . . . . . . . . A . 9 ASN CG . . . . . . . . . c19501_2mdq 1 . 18 . 3683 . 1 1 9 ASN H H -2.066 -2.041 -0.123 . . . 1.0 . . . . . . . . . . . . A . 9 ASN H . . . . . . . . . c19501_2mdq 1 . 18 . 3684 . 1 1 9 ASN HA H -0.205 0.011 0.159 . . . 1.0 . . . . . . . . . . . . A . 9 ASN HA . . . . . . . . . c19501_2mdq 1 . 18 . 3685 . 1 1 9 ASN HB2 H -2.135 -0.647 1.671 . . . 1.0 . . . . . . . . . . . . A . 9 ASN HB2 . . . . . . . . . c19501_2mdq 1 . 18 . 3686 . 1 1 9 ASN HB3 H -1.059 -1.899 2.264 . . . 1.0 . . . . . . . . . . . . A . 9 ASN HB3 . . . . . . . . . c19501_2mdq 1 . 18 . 3687 . 1 1 9 ASN HD21 H -1.883 1.366 2.404 . . . 1.0 . . . . . . . . . . . . A . 9 ASN HD21 . . . . . . . . . c19501_2mdq 1 . 18 . 3688 . 1 1 9 ASN HD22 H -0.744 1.848 3.612 . . . 1.0 . . . . . . . . . . . . A . 9 ASN HD22 . . . . . . . . . c19501_2mdq 1 . 18 . 3689 . 1 1 9 ASN N N -1.173 -1.752 -0.411 . . . 1.0 . . . . . . . . . . . . A . 9 ASN N . . . . . . . . . c19501_2mdq 1 . 18 . 3690 . 1 1 9 ASN ND2 N -1.088 1.201 2.958 . . . 1.0 . . . . . . . . . . . . A . 9 ASN ND2 . . . . . . . . . c19501_2mdq 1 . 18 . 3691 . 1 1 9 ASN O O 2.023 -1.066 0.767 . . . 1.0 . . . . . . . . . . . . A . 9 ASN O . . . . . . . . . c19501_2mdq 1 . 18 . 3692 . 1 1 9 ASN OD1 O 0.448 -0.269 3.551 . . . 1.0 . . . . . . . . . . . . A . 9 ASN OD1 . . . . . . . . . c19501_2mdq 1 . 18 . 3693 . 1 1 10 VAL C C 2.979 -3.933 0.156 . . . 1.0 . . . . . . . . . . . . A . 10 VAL C . . . . . . . . . c19501_2mdq 1 . 18 . 3694 . 1 1 10 VAL CA C 1.977 -3.818 1.320 . . . 1.0 . . . . . . . . . . . . A . 10 VAL CA . . . . . . . . . c19501_2mdq 1 . 18 . 3695 . 1 1 10 VAL CB C 1.513 -5.228 1.826 . . . 1.0 . . . . . . . . . . . . A . 10 VAL CB . . . . . . . . . c19501_2mdq 1 . 18 . 3696 . 1 1 10 VAL CG1 C 0.737 -5.992 0.763 . . . 1.0 . . . . . . . . . . . . A . 10 VAL CG1 . . . . . . . . . c19501_2mdq 1 . 18 . 3697 . 1 1 10 VAL CG2 C 2.685 -6.054 2.352 . . . 1.0 . . . . . . . . . . . . A . 10 VAL CG2 . . . . . . . . . c19501_2mdq 1 . 18 . 3698 . 1 1 10 VAL H H -0.056 -3.346 0.928 . . . 1.0 . . . . . . . . . . . . A . 10 VAL H . . . . . . . . . c19501_2mdq 1 . 18 . 3699 . 1 1 10 VAL HA H 2.496 -3.326 2.131 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HA . . . . . . . . . c19501_2mdq 1 . 18 . 3700 . 1 1 10 VAL HB H 0.830 -5.056 2.646 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HB . . . . . . . . . c19501_2mdq 1 . 18 . 3701 . 1 1 10 VAL HG11 H 0.439 -6.954 1.155 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG11 . . . . . . . . . c19501_2mdq 1 . 18 . 3702 . 1 1 10 VAL HG12 H 1.366 -6.135 -0.104 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG12 . . . . . . . . . c19501_2mdq 1 . 18 . 3703 . 1 1 10 VAL HG13 H -0.140 -5.429 0.481 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG13 . . . . . . . . . c19501_2mdq 1 . 18 . 3704 . 1 1 10 VAL HG21 H 3.407 -6.197 1.561 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG21 . . . . . . . . . c19501_2mdq 1 . 18 . 3705 . 1 1 10 VAL HG22 H 2.327 -7.016 2.690 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG22 . . . . . . . . . c19501_2mdq 1 . 18 . 3706 . 1 1 10 VAL HG23 H 3.154 -5.535 3.175 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG23 . . . . . . . . . c19501_2mdq 1 . 18 . 3707 . 1 1 10 VAL N N 0.847 -2.972 0.992 . . . 1.0 . . . . . . . . . . . . A . 10 VAL N . . . . . . . . . c19501_2mdq 1 . 18 . 3708 . 1 1 10 VAL O O 4.186 -4.054 0.382 . . . 1.0 . . . . . . . . . . . . A . 10 VAL O . . . . . . . . . c19501_2mdq 1 . 18 . 3709 . 1 1 11 ASP C C 3.945 -2.597 -2.650 . . . 1.0 . . . . . . . . . . . . A . 11 ASP C . . . . . . . . . c19501_2mdq 1 . 18 . 3710 . 1 1 11 ASP CA C 3.411 -3.953 -2.215 . . . 1.0 . . . . . . . . . . . . A . 11 ASP CA . . . . . . . . . c19501_2mdq 1 . 18 . 3711 . 1 1 11 ASP CB C 2.881 -4.827 -3.385 . . . 1.0 . . . . . . . . . . . . A . 11 ASP CB . . . . . . . . . c19501_2mdq 1 . 18 . 3712 . 1 1 11 ASP CG C 1.621 -4.345 -4.064 . . . 1.0 . . . . . . . . . . . . A . 11 ASP CG . . . . . . . . . c19501_2mdq 1 . 18 . 3713 . 1 1 11 ASP H H 1.544 -3.703 -1.249 . . . 1.0 . . . . . . . . . . . . A . 11 ASP H . . . . . . . . . c19501_2mdq 1 . 18 . 3714 . 1 1 11 ASP HA H 4.272 -4.445 -1.785 . . . 1.0 . . . . . . . . . . . . A . 11 ASP HA . . . . . . . . . c19501_2mdq 1 . 18 . 3715 . 1 1 11 ASP HB2 H 3.648 -4.885 -4.142 . . . 1.0 . . . . . . . . . . . . A . 11 ASP HB2 . . . . . . . . . c19501_2mdq 1 . 18 . 3716 . 1 1 11 ASP HB3 H 2.707 -5.824 -3.008 . . . 1.0 . . . . . . . . . . . . A . 11 ASP HB3 . . . . . . . . . c19501_2mdq 1 . 18 . 3717 . 1 1 11 ASP N N 2.501 -3.847 -1.082 . . . 1.0 . . . . . . . . . . . . A . 11 ASP N . . . . . . . . . c19501_2mdq 1 . 18 . 3718 . 1 1 11 ASP O O 4.676 -2.478 -3.644 . . . 1.0 . . . . . . . . . . . . A . 11 ASP O . . . . . . . . . c19501_2mdq 1 . 18 . 3719 . 1 1 11 ASP OD1 O 0.528 -4.573 -3.531 . . . 1.0 . . . . . . . . . . . . A . 11 ASP OD1 . . . . . . . . . c19501_2mdq 1 . 18 . 3720 . 1 1 11 ASP OD2 O 1.705 -3.807 -5.184 . . . 1.0 . . . . . . . . . . . . A . 11 ASP OD2 . . . . . . . . . c19501_2mdq 1 . 18 . 3721 . 1 1 12 HIS C C 4.876 0.108 -0.681 . . . 1.0 . . . . . . . . . . . . A . 12 HIS C . . . . . . . . . c19501_2mdq 1 . 18 . 3722 . 1 1 12 HIS CA C 4.192 -0.272 -2.004 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CA . . . . . . . . . c19501_2mdq 1 . 18 . 3723 . 1 1 12 HIS CB C 3.149 0.778 -2.327 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CB . . . . . . . . . c19501_2mdq 1 . 18 . 3724 . 1 1 12 HIS CD2 C 1.667 0.016 -4.286 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CD2 . . . . . . . . . c19501_2mdq 1 . 18 . 3725 . 1 1 12 HIS CE1 C 2.350 1.397 -5.813 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CE1 . . . . . . . . . c19501_2mdq 1 . 18 . 3726 . 1 1 12 HIS CG C 2.625 0.775 -3.723 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CG . . . . . . . . . c19501_2mdq 1 . 18 . 3727 . 1 1 12 HIS H H 2.903 -1.656 -1.202 . . . 1.0 . . . . . . . . . . . . A . 12 HIS H . . . . . . . . . c19501_2mdq 1 . 18 . 3728 . 1 1 12 HIS HA H 4.917 -0.300 -2.799 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HA . . . . . . . . . c19501_2mdq 1 . 18 . 3729 . 1 1 12 HIS HB2 H 2.324 0.577 -1.667 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HB2 . . . . . . . . . c19501_2mdq 1 . 18 . 3730 . 1 1 12 HIS HB3 H 3.562 1.738 -2.082 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HB3 . . . . . . . . . c19501_2mdq 1 . 18 . 3731 . 1 1 12 HIS HD1 H 3.738 2.343 -4.627 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HD1 . . . . . . . . . c19501_2mdq 1 . 18 . 3732 . 1 1 12 HIS HD2 H 1.118 -0.775 -3.793 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HD2 . . . . . . . . . c19501_2mdq 1 . 18 . 3733 . 1 1 12 HIS HE1 H 2.473 1.928 -6.746 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HE1 . . . . . . . . . c19501_2mdq 1 . 18 . 3734 . 1 1 12 HIS N N 3.598 -1.568 -1.885 . . . 1.0 . . . . . . . . . . . . A . 12 HIS N . . . . . . . . . c19501_2mdq 1 . 18 . 3735 . 1 1 12 HIS ND1 N 3.049 1.647 -4.707 . . . 1.0 . . . . . . . . . . . . A . 12 HIS ND1 . . . . . . . . . c19501_2mdq 1 . 18 . 3736 . 1 1 12 HIS NE2 N 1.494 0.414 -5.615 . . . 1.0 . . . . . . . . . . . . A . 12 HIS NE2 . . . . . . . . . c19501_2mdq 1 . 18 . 3737 . 1 1 12 HIS O O 4.396 0.999 0.032 . . . 1.0 . . . . . . . . . . . . A . 12 HIS O . . . . . . . . . c19501_2mdq 1 . 18 . 3738 . 1 1 13 PRO C C 7.473 1.028 0.942 . . . 1.0 . . . . . . . . . . . . A . 13 PRO C . . . . . . . . . c19501_2mdq 1 . 18 . 3739 . 1 1 13 PRO CA C 6.697 -0.269 0.955 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CA . . . . . . . . . c19501_2mdq 1 . 18 . 3740 . 1 1 13 PRO CB C 7.649 -1.463 1.115 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CB . . . . . . . . . c19501_2mdq 1 . 18 . 3741 . 1 1 13 PRO CD C 6.746 -1.533 -1.095 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CD . . . . . . . . . c19501_2mdq 1 . 18 . 3742 . 1 1 13 PRO CG C 7.309 -2.389 -0.006 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CG . . . . . . . . . c19501_2mdq 1 . 18 . 3743 . 1 1 13 PRO HA H 5.991 -0.246 1.770 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HA . . . . . . . . . c19501_2mdq 1 . 18 . 3744 . 1 1 13 PRO HB2 H 8.668 -1.114 1.044 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HB2 . . . . . . . . . c19501_2mdq 1 . 18 . 3745 . 1 1 13 PRO HB3 H 7.490 -1.930 2.075 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HB3 . . . . . . . . . c19501_2mdq 1 . 18 . 3746 . 1 1 13 PRO HD2 H 7.535 -1.087 -1.683 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HD2 . . . . . . . . . c19501_2mdq 1 . 18 . 3747 . 1 1 13 PRO HD3 H 6.069 -2.096 -1.720 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HD3 . . . . . . . . . c19501_2mdq 1 . 18 . 3748 . 1 1 13 PRO HG2 H 8.198 -2.897 -0.346 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HG2 . . . . . . . . . c19501_2mdq 1 . 18 . 3749 . 1 1 13 PRO HG3 H 6.572 -3.105 0.326 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HG3 . . . . . . . . . c19501_2mdq 1 . 18 . 3750 . 1 1 13 PRO N N 6.023 -0.519 -0.327 . . . 1.0 . . . . . . . . . . . . A . 13 PRO N . . . . . . . . . c19501_2mdq 1 . 18 . 3751 . 1 1 13 PRO O O 7.921 1.516 1.975 . . . 1.0 . . . . . . . . . . . . A . 13 PRO O . . . . . . . . . c19501_2mdq 1 . 18 . 3752 . 1 1 14 GLU C C 7.333 3.960 -0.118 . . . 1.0 . . . . . . . . . . . . A . 14 GLU C . . . . . . . . . c19501_2mdq 1 . 18 . 3753 . 1 1 14 GLU CA C 8.274 2.805 -0.437 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CA . . . . . . . . . c19501_2mdq 1 . 18 . 3754 . 1 1 14 GLU CB C 8.777 2.870 -1.863 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CB . . . . . . . . . c19501_2mdq 1 . 18 . 3755 . 1 1 14 GLU CD C 8.308 2.645 -4.294 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CD . . . . . . . . . c19501_2mdq 1 . 18 . 3756 . 1 1 14 GLU CG C 7.751 2.502 -2.917 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CG . . . . . . . . . c19501_2mdq 1 . 18 . 3757 . 1 1 14 GLU H H 7.289 1.086 -1.014 . . . 1.0 . . . . . . . . . . . . A . 14 GLU H . . . . . . . . . c19501_2mdq 1 . 18 . 3758 . 1 1 14 GLU HA H 9.122 2.850 0.230 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HA . . . . . . . . . c19501_2mdq 1 . 18 . 3759 . 1 1 14 GLU HB2 H 9.066 3.888 -2.047 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HB2 . . . . . . . . . c19501_2mdq 1 . 18 . 3760 . 1 1 14 GLU HB3 H 9.635 2.224 -1.977 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HB3 . . . . . . . . . c19501_2mdq 1 . 18 . 3761 . 1 1 14 GLU HG2 H 7.445 1.476 -2.775 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HG2 . . . . . . . . . c19501_2mdq 1 . 18 . 3762 . 1 1 14 GLU HG3 H 6.896 3.154 -2.818 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HG3 . . . . . . . . . c19501_2mdq 1 . 18 . 3763 . 1 1 14 GLU N N 7.621 1.565 -0.231 . . . 1.0 . . . . . . . . . . . . A . 14 GLU N . . . . . . . . . c19501_2mdq 1 . 18 . 3764 . 1 1 14 GLU O O 7.765 5.077 0.157 . . . 1.0 . . . . . . . . . . . . A . 14 GLU O . . . . . . . . . c19501_2mdq 1 . 18 . 3765 . 1 1 14 GLU OE1 O 9.019 1.746 -4.759 . . . 1.0 . . . . . . . . . . . . A . 14 GLU OE1 . . . . . . . . . c19501_2mdq 1 . 18 . 3766 . 1 1 14 GLU OE2 O 8.061 3.684 -4.940 . . . 1.0 . . . . . . . . . . . . A . 14 GLU OE2 . . . . . . . . . c19501_2mdq 1 . 18 . 3767 . 1 1 15 ILE C C 4.590 4.393 1.599 . . . 1.0 . . . . . . . . . . . . A . 15 ILE C . . . . . . . . . c19501_2mdq 1 . 18 . 3768 . 1 1 15 ILE CA C 5.078 4.690 0.206 . . . 1.0 . . . . . . . . . . . . A . 15 ILE CA . . . . . . . . . c19501_2mdq 1 . 18 . 3769 . 1 1 15 ILE CB C 3.878 4.723 -0.774 . . . 1.0 . . . . . . . . . . . . A . 15 ILE CB . . . . . . . . . c19501_2mdq 1 . 18 . 3770 . 1 1 15 ILE CD1 C 3.262 4.874 -3.253 . . . 1.0 . . . . . . . . . . . . A . 15 ILE CD1 . . . . . . . . . c19501_2mdq 1 . 18 . 3771 . 1 1 15 ILE CG1 C 4.371 4.828 -2.224 . . . 1.0 . . . . . . . . . . . . A . 15 ILE CG1 . . . . . . . . . c19501_2mdq 1 . 18 . 3772 . 1 1 15 ILE CG2 C 2.978 5.909 -0.443 . . . 1.0 . . . . . . . . . . . . A . 15 ILE CG2 . . . . . . . . . c19501_2mdq 1 . 18 . 3773 . 1 1 15 ILE H H 5.758 2.778 -0.362 . . . 1.0 . . . . . . . . . . . . A . 15 ILE H . . . . . . . . . c19501_2mdq 1 . 18 . 3774 . 1 1 15 ILE HA H 5.571 5.647 0.215 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HA . . . . . . . . . c19501_2mdq 1 . 18 . 3775 . 1 1 15 ILE HB H 3.309 3.812 -0.656 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HB . . . . . . . . . c19501_2mdq 1 . 18 . 3776 . 1 1 15 ILE HD11 H 2.610 5.708 -3.033 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HD11 . . . . . . . . . c19501_2mdq 1 . 18 . 3777 . 1 1 15 ILE HD12 H 2.693 3.957 -3.213 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HD12 . . . . . . . . . c19501_2mdq 1 . 18 . 3778 . 1 1 15 ILE HD13 H 3.685 5.002 -4.237 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HD13 . . . . . . . . . c19501_2mdq 1 . 18 . 3779 . 1 1 15 ILE HG12 H 4.969 5.720 -2.340 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HG12 . . . . . . . . . c19501_2mdq 1 . 18 . 3780 . 1 1 15 ILE HG13 H 4.979 3.959 -2.435 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HG13 . . . . . . . . . c19501_2mdq 1 . 18 . 3781 . 1 1 15 ILE HG21 H 2.144 5.928 -1.130 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HG21 . . . . . . . . . c19501_2mdq 1 . 18 . 3782 . 1 1 15 ILE HG22 H 3.540 6.827 -0.535 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HG22 . . . . . . . . . c19501_2mdq 1 . 18 . 3783 . 1 1 15 ILE HG23 H 2.610 5.810 0.567 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HG23 . . . . . . . . . c19501_2mdq 1 . 18 . 3784 . 1 1 15 ILE N N 6.050 3.686 -0.138 . . . 1.0 . . . . . . . . . . . . A . 15 ILE N . . . . . . . . . c19501_2mdq 1 . 18 . 3785 . 1 1 15 ILE O O 4.679 5.215 2.506 . . . 1.0 . . . . . . . . . . . . A . 15 ILE O . . . . . . . . . c19501_2mdq 1 . 18 . 3786 . 1 1 16 CYS C C 4.445 1.499 3.463 . . . 1.0 . . . . . . . . . . . . A . 16 CYS C . . . . . . . . . c19501_2mdq 1 . 18 . 3787 . 1 1 16 CYS CA C 3.666 2.735 3.021 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CA . . . . . . . . . c19501_2mdq 1 . 18 . 3788 . 1 1 16 CYS CB C 2.184 2.482 2.959 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CB . . . . . . . . . c19501_2mdq 1 . 18 . 3789 . 1 1 16 CYS H H 4.106 2.574 1.011 . . . 1.0 . . . . . . . . . . . . A . 16 CYS H . . . . . . . . . c19501_2mdq 1 . 18 . 3790 . 1 1 16 CYS HA H 3.842 3.534 3.718 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HA . . . . . . . . . c19501_2mdq 1 . 18 . 3791 . 1 1 16 CYS HB2 H 2.054 1.830 2.116 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB2 . . . . . . . . . c19501_2mdq 1 . 18 . 3792 . 1 1 16 CYS HB3 H 1.861 1.989 3.860 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB3 . . . . . . . . . c19501_2mdq 1 . 18 . 3793 . 1 1 16 CYS N N 4.135 3.195 1.768 . . . 1.0 . . . . . . . . . . . . A . 16 CYS N . . . . . . . . . c19501_2mdq 1 . 18 . 3794 . 1 1 16 CYS O O 5.541 1.620 4.020 . . . 1.0 . . . . . . . . . . . . A . 16 CYS O . . . . . . . . . c19501_2mdq 1 . 18 . 3795 . 1 1 16 CYS SG S 1.166 3.976 2.675 . . . 1.0 . . . . . . . . . . . . A . 16 CYS SG . . . . . . . . . c19501_2mdq 1 . 18 . 3796 . 1 1 17 NH2 HN1 H 3.061 0.252 2.734 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 HN1 . . . . . . . . . c19501_2mdq 1 . 18 . 3797 . 1 1 17 NH2 HN2 H 4.451 -0.473 3.446 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 HN2 . . . . . . . . . c19501_2mdq 1 . 18 . 3798 . 1 1 17 NH2 N N 3.932 0.314 3.180 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 N . . . . . . . . . c19501_2mdq 1 . 19 . 3799 . 1 1 1 GLY C C -4.290 3.460 -3.696 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c19501_2mdq 1 . 19 . 3800 . 1 1 1 GLY CA C -4.435 4.775 -4.410 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c19501_2mdq 1 . 19 . 3801 . 1 1 1 GLY H1 H -5.595 5.650 -2.932 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c19501_2mdq 1 . 19 . 3802 . 1 1 1 GLY H2 H -6.474 4.881 -4.148 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H2 . . . . . . . . . c19501_2mdq 1 . 19 . 3803 . 1 1 1 GLY H3 H -5.766 6.378 -4.446 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H3 . . . . . . . . . c19501_2mdq 1 . 19 . 3804 . 1 1 1 GLY HA2 H -4.516 4.584 -5.469 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c19501_2mdq 1 . 19 . 3805 . 1 1 1 GLY HA3 H -3.571 5.396 -4.227 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c19501_2mdq 1 . 19 . 3806 . 1 1 1 GLY N N -5.639 5.468 -3.959 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c19501_2mdq 1 . 19 . 3807 . 1 1 1 GLY O O -5.144 3.095 -2.895 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c19501_2mdq 1 . 19 . 3808 . 1 1 2 CYS C C -2.684 1.572 -1.863 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . c19501_2mdq 1 . 19 . 3809 . 1 1 2 CYS CA C -3.006 1.480 -3.321 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . c19501_2mdq 1 . 19 . 3810 . 1 1 2 CYS CB C -2.011 0.679 -4.069 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . c19501_2mdq 1 . 19 . 3811 . 1 1 2 CYS H H -2.506 3.081 -4.531 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . c19501_2mdq 1 . 19 . 3812 . 1 1 2 CYS HA H -3.951 0.979 -3.402 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . c19501_2mdq 1 . 19 . 3813 . 1 1 2 CYS HB2 H -1.339 1.416 -4.469 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . c19501_2mdq 1 . 19 . 3814 . 1 1 2 CYS HB3 H -1.486 0.018 -3.403 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . c19501_2mdq 1 . 19 . 3815 . 1 1 2 CYS N N -3.215 2.753 -3.934 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . c19501_2mdq 1 . 19 . 3816 . 1 1 2 CYS O O -2.924 0.646 -1.123 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . c19501_2mdq 1 . 19 . 3817 . 1 1 2 CYS SG S -2.703 -0.243 -5.470 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . c19501_2mdq 1 . 19 . 3818 . 1 1 3 CYS C C -3.267 3.217 0.665 . . . 1.0 . . . . . . . . . . . . A . 3 CYS C . . . . . . . . . c19501_2mdq 1 . 19 . 3819 . 1 1 3 CYS CA C -1.966 2.952 -0.059 . . . 1.0 . . . . . . . . . . . . A . 3 CYS CA . . . . . . . . . c19501_2mdq 1 . 19 . 3820 . 1 1 3 CYS CB C -0.972 4.062 0.157 . . . 1.0 . . . . . . . . . . . . A . 3 CYS CB . . . . . . . . . c19501_2mdq 1 . 19 . 3821 . 1 1 3 CYS H H -1.951 3.371 -2.120 . . . 1.0 . . . . . . . . . . . . A . 3 CYS H . . . . . . . . . c19501_2mdq 1 . 19 . 3822 . 1 1 3 CYS HA H -1.564 2.038 0.349 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HA . . . . . . . . . c19501_2mdq 1 . 19 . 3823 . 1 1 3 CYS HB2 H -1.063 4.744 -0.677 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HB2 . . . . . . . . . c19501_2mdq 1 . 19 . 3824 . 1 1 3 CYS HB3 H -1.276 4.564 1.056 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HB3 . . . . . . . . . c19501_2mdq 1 . 19 . 3825 . 1 1 3 CYS N N -2.192 2.696 -1.453 . . . 1.0 . . . . . . . . . . . . A . 3 CYS N . . . . . . . . . c19501_2mdq 1 . 19 . 3826 . 1 1 3 CYS O O -3.380 3.003 1.864 . . . 1.0 . . . . . . . . . . . . A . 3 CYS O . . . . . . . . . c19501_2mdq 1 . 19 . 3827 . 1 1 3 CYS SG S 0.769 3.510 0.253 . . . 1.0 . . . . . . . . . . . . A . 3 CYS SG . . . . . . . . . c19501_2mdq 1 . 19 . 3828 . 1 1 4 SER C C -6.192 2.437 0.700 . . . 1.0 . . . . . . . . . . . . A . 4 SER C . . . . . . . . . c19501_2mdq 1 . 19 . 3829 . 1 1 4 SER CA C -5.593 3.835 0.443 . . . 1.0 . . . . . . . . . . . . A . 4 SER CA . . . . . . . . . c19501_2mdq 1 . 19 . 3830 . 1 1 4 SER CB C -6.444 4.570 -0.592 . . . 1.0 . . . . . . . . . . . . A . 4 SER CB . . . . . . . . . c19501_2mdq 1 . 19 . 3831 . 1 1 4 SER H H -4.011 3.908 -0.993 . . . 1.0 . . . . . . . . . . . . A . 4 SER H . . . . . . . . . c19501_2mdq 1 . 19 . 3832 . 1 1 4 SER HA H -5.553 4.400 1.363 . . . 1.0 . . . . . . . . . . . . A . 4 SER HA . . . . . . . . . c19501_2mdq 1 . 19 . 3833 . 1 1 4 SER HB2 H -6.717 3.886 -1.381 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB2 . . . . . . . . . c19501_2mdq 1 . 19 . 3834 . 1 1 4 SER HB3 H -7.337 4.950 -0.118 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB3 . . . . . . . . . c19501_2mdq 1 . 19 . 3835 . 1 1 4 SER HG H -5.600 6.321 -0.463 . . . 1.0 . . . . . . . . . . . . A . 4 SER HG . . . . . . . . . c19501_2mdq 1 . 19 . 3836 . 1 1 4 SER N N -4.244 3.661 -0.075 . . . 1.0 . . . . . . . . . . . . A . 4 SER N . . . . . . . . . c19501_2mdq 1 . 19 . 3837 . 1 1 4 SER O O -7.057 2.250 1.559 . . . 1.0 . . . . . . . . . . . . A . 4 SER O . . . . . . . . . c19501_2mdq 1 . 19 . 3838 . 1 1 4 SER OG O -5.722 5.662 -1.158 . . . 1.0 . . . . . . . . . . . . A . 4 SER OG . . . . . . . . . c19501_2mdq 1 . 19 . 3839 . 1 1 5 HIS C C -5.197 -0.647 1.048 . . . 1.0 . . . . . . . . . . . . A . 5 HIS C . . . . . . . . . c19501_2mdq 1 . 19 . 3840 . 1 1 5 HIS CA C -6.080 0.085 0.038 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CA . . . . . . . . . c19501_2mdq 1 . 19 . 3841 . 1 1 5 HIS CB C -5.944 -0.585 -1.337 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CB . . . . . . . . . c19501_2mdq 1 . 19 . 3842 . 1 1 5 HIS CD2 C -8.289 -0.163 -2.276 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CD2 . . . . . . . . . c19501_2mdq 1 . 19 . 3843 . 1 1 5 HIS CE1 C -7.793 0.529 -4.262 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CE1 . . . . . . . . . c19501_2mdq 1 . 19 . 3844 . 1 1 5 HIS CG C -6.949 -0.148 -2.350 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CG . . . . . . . . . c19501_2mdq 1 . 19 . 3845 . 1 1 5 HIS H H -4.970 1.707 -0.675 . . . 1.0 . . . . . . . . . . . . A . 5 HIS H . . . . . . . . . c19501_2mdq 1 . 19 . 3846 . 1 1 5 HIS HA H -7.112 0.041 0.349 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HA . . . . . . . . . c19501_2mdq 1 . 19 . 3847 . 1 1 5 HIS HB2 H -4.962 -0.375 -1.732 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB2 . . . . . . . . . c19501_2mdq 1 . 19 . 3848 . 1 1 5 HIS HB3 H -6.048 -1.648 -1.193 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB3 . . . . . . . . . c19501_2mdq 1 . 19 . 3849 . 1 1 5 HIS HD1 H -5.755 0.438 -4.019 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD1 . . . . . . . . . c19501_2mdq 1 . 19 . 3850 . 1 1 5 HIS HD2 H -8.864 -0.463 -1.412 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD2 . . . . . . . . . c19501_2mdq 1 . 19 . 3851 . 1 1 5 HIS HE1 H -7.869 0.885 -5.281 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HE1 . . . . . . . . . c19501_2mdq 1 . 19 . 3852 . 1 1 5 HIS N N -5.685 1.473 -0.048 . . . 1.0 . . . . . . . . . . . . A . 5 HIS N . . . . . . . . . c19501_2mdq 1 . 19 . 3853 . 1 1 5 HIS ND1 N -6.642 0.299 -3.623 . . . 1.0 . . . . . . . . . . . . A . 5 HIS ND1 . . . . . . . . . c19501_2mdq 1 . 19 . 3854 . 1 1 5 HIS NE2 N -8.828 0.262 -3.483 . . . 1.0 . . . . . . . . . . . . A . 5 HIS NE2 . . . . . . . . . c19501_2mdq 1 . 19 . 3855 . 1 1 5 HIS O O -4.093 -0.202 1.329 . . . 1.0 . . . . . . . . . . . . A . 5 HIS O . . . . . . . . . c19501_2mdq 1 . 19 . 3856 . 1 1 6 PRO C C -3.924 -3.556 1.923 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . c19501_2mdq 1 . 19 . 3857 . 1 1 6 PRO CA C -4.886 -2.535 2.579 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . c19501_2mdq 1 . 19 . 3858 . 1 1 6 PRO CB C -5.950 -3.242 3.419 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . c19501_2mdq 1 . 19 . 3859 . 1 1 6 PRO CD C -7.042 -2.298 1.474 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . c19501_2mdq 1 . 19 . 3860 . 1 1 6 PRO CG C -7.143 -3.376 2.523 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . c19501_2mdq 1 . 19 . 3861 . 1 1 6 PRO HA H -4.294 -1.894 3.214 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . c19501_2mdq 1 . 19 . 3862 . 1 1 6 PRO HB2 H -5.578 -4.204 3.735 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB2 . . . . . . . . . c19501_2mdq 1 . 19 . 3863 . 1 1 6 PRO HB3 H -6.184 -2.644 4.288 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . c19501_2mdq 1 . 19 . 3864 . 1 1 6 PRO HD2 H -7.174 -2.719 0.489 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD2 . . . . . . . . . c19501_2mdq 1 . 19 . 3865 . 1 1 6 PRO HD3 H -7.780 -1.531 1.657 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . c19501_2mdq 1 . 19 . 3866 . 1 1 6 PRO HG2 H -7.137 -4.347 2.051 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG2 . . . . . . . . . c19501_2mdq 1 . 19 . 3867 . 1 1 6 PRO HG3 H -8.048 -3.253 3.100 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . c19501_2mdq 1 . 19 . 3868 . 1 1 6 PRO N N -5.674 -1.760 1.628 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . c19501_2mdq 1 . 19 . 3869 . 1 1 6 PRO O O -2.745 -3.591 2.244 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . c19501_2mdq 1 . 19 . 3870 . 1 1 7 ALA C C -2.573 -4.802 -0.591 . . . 1.0 . . . . . . . . . . . . A . 7 ALA C . . . . . . . . . c19501_2mdq 1 . 19 . 3871 . 1 1 7 ALA CA C -3.582 -5.388 0.384 . . . 1.0 . . . . . . . . . . . . A . 7 ALA CA . . . . . . . . . c19501_2mdq 1 . 19 . 3872 . 1 1 7 ALA CB C -4.412 -6.483 -0.264 . . . 1.0 . . . . . . . . . . . . A . 7 ALA CB . . . . . . . . . c19501_2mdq 1 . 19 . 3873 . 1 1 7 ALA H H -5.351 -4.257 0.729 . . . 1.0 . . . . . . . . . . . . A . 7 ALA H . . . . . . . . . c19501_2mdq 1 . 19 . 3874 . 1 1 7 ALA HA H -3.015 -5.828 1.189 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HA . . . . . . . . . c19501_2mdq 1 . 19 . 3875 . 1 1 7 ALA HB1 H -3.763 -7.289 -0.570 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB1 . . . . . . . . . c19501_2mdq 1 . 19 . 3876 . 1 1 7 ALA HB2 H -4.918 -6.090 -1.131 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB2 . . . . . . . . . c19501_2mdq 1 . 19 . 3877 . 1 1 7 ALA HB3 H -5.138 -6.855 0.442 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB3 . . . . . . . . . c19501_2mdq 1 . 19 . 3878 . 1 1 7 ALA N N -4.416 -4.362 1.001 . . . 1.0 . . . . . . . . . . . . A . 7 ALA N . . . . . . . . . c19501_2mdq 1 . 19 . 3879 . 1 1 7 ALA O O -1.423 -5.213 -0.631 . . . 1.0 . . . . . . . . . . . . A . 7 ALA O . . . . . . . . . c19501_2mdq 1 . 19 . 3880 . 1 1 8 CYS C C -1.220 -2.140 -1.701 . . . 1.0 . . . . . . . . . . . . A . 8 CYS C . . . . . . . . . c19501_2mdq 1 . 19 . 3881 . 1 1 8 CYS CA C -2.152 -3.169 -2.354 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CA . . . . . . . . . c19501_2mdq 1 . 19 . 3882 . 1 1 8 CYS CB C -3.053 -2.480 -3.391 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CB . . . . . . . . . c19501_2mdq 1 . 19 . 3883 . 1 1 8 CYS H H -3.910 -3.466 -1.192 . . . 1.0 . . . . . . . . . . . . A . 8 CYS H . . . . . . . . . c19501_2mdq 1 . 19 . 3884 . 1 1 8 CYS HA H -1.567 -3.937 -2.838 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HA . . . . . . . . . c19501_2mdq 1 . 19 . 3885 . 1 1 8 CYS HB2 H -3.936 -3.079 -3.553 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB2 . . . . . . . . . c19501_2mdq 1 . 19 . 3886 . 1 1 8 CYS HB3 H -3.342 -1.526 -2.972 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB3 . . . . . . . . . c19501_2mdq 1 . 19 . 3887 . 1 1 8 CYS N N -2.991 -3.791 -1.324 . . . 1.0 . . . . . . . . . . . . A . 8 CYS N . . . . . . . . . c19501_2mdq 1 . 19 . 3888 . 1 1 8 CYS O O -0.418 -1.480 -2.354 . . . 1.0 . . . . . . . . . . . . A . 8 CYS O . . . . . . . . . c19501_2mdq 1 . 19 . 3889 . 1 1 8 CYS SG S -2.273 -2.169 -5.021 . . . 1.0 . . . . . . . . . . . . A . 8 CYS SG . . . . . . . . . c19501_2mdq 1 . 19 . 3890 . 1 1 9 ASN C C 0.844 -1.652 0.508 . . . 1.0 . . . . . . . . . . . . A . 9 ASN C . . . . . . . . . c19501_2mdq 1 . 19 . 3891 . 1 1 9 ASN CA C -0.554 -1.114 0.391 . . . 1.0 . . . . . . . . . . . . A . 9 ASN CA . . . . . . . . . c19501_2mdq 1 . 19 . 3892 . 1 1 9 ASN CB C -1.171 -1.050 1.763 . . . 1.0 . . . . . . . . . . . . A . 9 ASN CB . . . . . . . . . c19501_2mdq 1 . 19 . 3893 . 1 1 9 ASN CG C -0.623 0.024 2.641 . . . 1.0 . . . . . . . . . . . . A . 9 ASN CG . . . . . . . . . c19501_2mdq 1 . 19 . 3894 . 1 1 9 ASN H H -1.996 -2.601 0.051 . . . 1.0 . . . . . . . . . . . . A . 9 ASN H . . . . . . . . . c19501_2mdq 1 . 19 . 3895 . 1 1 9 ASN HA H -0.561 -0.129 -0.042 . . . 1.0 . . . . . . . . . . . . A . 9 ASN HA . . . . . . . . . c19501_2mdq 1 . 19 . 3896 . 1 1 9 ASN HB2 H -2.236 -0.921 1.657 . . . 1.0 . . . . . . . . . . . . A . 9 ASN HB2 . . . . . . . . . c19501_2mdq 1 . 19 . 3897 . 1 1 9 ASN HB3 H -0.993 -2.006 2.225 . . . 1.0 . . . . . . . . . . . . A . 9 ASN HB3 . . . . . . . . . c19501_2mdq 1 . 19 . 3898 . 1 1 9 ASN HD21 H -2.066 1.189 2.054 . . . 1.0 . . . . . . . . . . . . A . 9 ASN HD21 . . . . . . . . . c19501_2mdq 1 . 19 . 3899 . 1 1 9 ASN HD22 H -0.956 1.890 3.182 . . . 1.0 . . . . . . . . . . . . A . 9 ASN HD22 . . . . . . . . . c19501_2mdq 1 . 19 . 3900 . 1 1 9 ASN N N -1.340 -2.032 -0.402 . . . 1.0 . . . . . . . . . . . . A . 9 ASN N . . . . . . . . . c19501_2mdq 1 . 19 . 3901 . 1 1 9 ASN ND2 N -1.271 1.145 2.631 . . . 1.0 . . . . . . . . . . . . A . 9 ASN ND2 . . . . . . . . . c19501_2mdq 1 . 19 . 3902 . 1 1 9 ASN O O 1.837 -0.936 0.358 . . . 1.0 . . . . . . . . . . . . A . 9 ASN O . . . . . . . . . c19501_2mdq 1 . 19 . 3903 . 1 1 9 ASN OD1 O 0.350 -0.172 3.361 . . . 1.0 . . . . . . . . . . . . A . 9 ASN OD1 . . . . . . . . . c19501_2mdq 1 . 19 . 3904 . 1 1 10 VAL C C 3.098 -3.574 -0.234 . . . 1.0 . . . . . . . . . . . . A . 10 VAL C . . . . . . . . . c19501_2mdq 1 . 19 . 3905 . 1 1 10 VAL CA C 2.101 -3.705 0.927 . . . 1.0 . . . . . . . . . . . . A . 10 VAL CA . . . . . . . . . c19501_2mdq 1 . 19 . 3906 . 1 1 10 VAL CB C 1.781 -5.198 1.196 . . . 1.0 . . . . . . . . . . . . A . 10 VAL CB . . . . . . . . . c19501_2mdq 1 . 19 . 3907 . 1 1 10 VAL CG1 C 3.041 -6.009 1.469 . . . 1.0 . . . . . . . . . . . . A . 10 VAL CG1 . . . . . . . . . c19501_2mdq 1 . 19 . 3908 . 1 1 10 VAL CG2 C 0.796 -5.341 2.347 . . . 1.0 . . . . . . . . . . . . A . 10 VAL CG2 . . . . . . . . . c19501_2mdq 1 . 19 . 3909 . 1 1 10 VAL H H 0.024 -3.417 0.709 . . . 1.0 . . . . . . . . . . . . A . 10 VAL H . . . . . . . . . c19501_2mdq 1 . 19 . 3910 . 1 1 10 VAL HA H 2.559 -3.307 1.816 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HA . . . . . . . . . c19501_2mdq 1 . 19 . 3911 . 1 1 10 VAL HB H 1.313 -5.580 0.305 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HB . . . . . . . . . c19501_2mdq 1 . 19 . 3912 . 1 1 10 VAL HG11 H 3.539 -5.617 2.342 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG11 . . . . . . . . . c19501_2mdq 1 . 19 . 3913 . 1 1 10 VAL HG12 H 3.702 -5.942 0.617 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG12 . . . . . . . . . c19501_2mdq 1 . 19 . 3914 . 1 1 10 VAL HG13 H 2.775 -7.043 1.637 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG13 . . . . . . . . . c19501_2mdq 1 . 19 . 3915 . 1 1 10 VAL HG21 H 0.584 -6.388 2.512 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG21 . . . . . . . . . c19501_2mdq 1 . 19 . 3916 . 1 1 10 VAL HG22 H -0.121 -4.824 2.105 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG22 . . . . . . . . . c19501_2mdq 1 . 19 . 3917 . 1 1 10 VAL HG23 H 1.224 -4.916 3.243 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG23 . . . . . . . . . c19501_2mdq 1 . 19 . 3918 . 1 1 10 VAL N N 0.886 -2.953 0.706 . . . 1.0 . . . . . . . . . . . . A . 10 VAL N . . . . . . . . . c19501_2mdq 1 . 19 . 3919 . 1 1 10 VAL O O 4.309 -3.512 -0.012 . . . 1.0 . . . . . . . . . . . . A . 10 VAL O . . . . . . . . . c19501_2mdq 1 . 19 . 3920 . 1 1 11 ASP C C 4.036 -2.011 -2.875 . . . 1.0 . . . . . . . . . . . . A . 11 ASP C . . . . . . . . . c19501_2mdq 1 . 19 . 3921 . 1 1 11 ASP CA C 3.513 -3.407 -2.603 . . . 1.0 . . . . . . . . . . . . A . 11 ASP CA . . . . . . . . . c19501_2mdq 1 . 19 . 3922 . 1 1 11 ASP CB C 3.018 -4.127 -3.880 . . . 1.0 . . . . . . . . . . . . A . 11 ASP CB . . . . . . . . . c19501_2mdq 1 . 19 . 3923 . 1 1 11 ASP CG C 1.697 -3.656 -4.423 . . . 1.0 . . . . . . . . . . . . A . 11 ASP CG . . . . . . . . . c19501_2mdq 1 . 19 . 3924 . 1 1 11 ASP H H 1.636 -3.467 -1.609 . . . 1.0 . . . . . . . . . . . . A . 11 ASP H . . . . . . . . . c19501_2mdq 1 . 19 . 3925 . 1 1 11 ASP HA H 4.386 -3.936 -2.247 . . . 1.0 . . . . . . . . . . . . A . 11 ASP HA . . . . . . . . . c19501_2mdq 1 . 19 . 3926 . 1 1 11 ASP HB2 H 3.751 -3.986 -4.659 . . . 1.0 . . . . . . . . . . . . A . 11 ASP HB2 . . . . . . . . . c19501_2mdq 1 . 19 . 3927 . 1 1 11 ASP HB3 H 2.945 -5.184 -3.670 . . . 1.0 . . . . . . . . . . . . A . 11 ASP HB3 . . . . . . . . . c19501_2mdq 1 . 19 . 3928 . 1 1 11 ASP N N 2.607 -3.486 -1.462 . . . 1.0 . . . . . . . . . . . . A . 11 ASP N . . . . . . . . . c19501_2mdq 1 . 19 . 3929 . 1 1 11 ASP O O 4.748 -1.793 -3.849 . . . 1.0 . . . . . . . . . . . . A . 11 ASP O . . . . . . . . . c19501_2mdq 1 . 19 . 3930 . 1 1 11 ASP OD1 O 0.659 -4.056 -3.866 . . . 1.0 . . . . . . . . . . . . A . 11 ASP OD1 . . . . . . . . . c19501_2mdq 1 . 19 . 3931 . 1 1 11 ASP OD2 O 1.672 -2.969 -5.470 . . . 1.0 . . . . . . . . . . . . A . 11 ASP OD2 . . . . . . . . . c19501_2mdq 1 . 19 . 3932 . 1 1 12 HIS C C 5.263 0.322 -0.771 . . . 1.0 . . . . . . . . . . . . A . 12 HIS C . . . . . . . . . c19501_2mdq 1 . 19 . 3933 . 1 1 12 HIS CA C 4.345 0.230 -2.003 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CA . . . . . . . . . c19501_2mdq 1 . 19 . 3934 . 1 1 12 HIS CB C 3.308 1.337 -1.919 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CB . . . . . . . . . c19501_2mdq 1 . 19 . 3935 . 1 1 12 HIS CD2 C 1.550 0.902 -3.777 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CD2 . . . . . . . . . c19501_2mdq 1 . 19 . 3936 . 1 1 12 HIS CE1 C 1.679 2.796 -4.828 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CE1 . . . . . . . . . c19501_2mdq 1 . 19 . 3937 . 1 1 12 HIS CG C 2.507 1.629 -3.156 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CG . . . . . . . . . c19501_2mdq 1 . 19 . 3938 . 1 1 12 HIS H H 3.063 -1.225 -1.292 . . . 1.0 . . . . . . . . . . . . A . 12 HIS H . . . . . . . . . c19501_2mdq 1 . 19 . 3939 . 1 1 12 HIS HA H 4.920 0.336 -2.906 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HA . . . . . . . . . c19501_2mdq 1 . 19 . 3940 . 1 1 12 HIS HB2 H 2.625 1.042 -1.145 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HB2 . . . . . . . . . c19501_2mdq 1 . 19 . 3941 . 1 1 12 HIS HB3 H 3.824 2.223 -1.602 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HB3 . . . . . . . . . c19501_2mdq 1 . 19 . 3942 . 1 1 12 HIS HD1 H 3.169 3.592 -3.661 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HD1 . . . . . . . . . c19501_2mdq 1 . 19 . 3943 . 1 1 12 HIS HD2 H 1.231 -0.094 -3.499 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HD2 . . . . . . . . . c19501_2mdq 1 . 19 . 3944 . 1 1 12 HIS HE1 H 1.505 3.607 -5.521 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HE1 . . . . . . . . . c19501_2mdq 1 . 19 . 3945 . 1 1 12 HIS N N 3.729 -1.073 -1.997 . . . 1.0 . . . . . . . . . . . . A . 12 HIS N . . . . . . . . . c19501_2mdq 1 . 19 . 3946 . 1 1 12 HIS ND1 N 2.576 2.830 -3.846 . . . 1.0 . . . . . . . . . . . . A . 12 HIS ND1 . . . . . . . . . c19501_2mdq 1 . 19 . 3947 . 1 1 12 HIS NE2 N 1.028 1.650 -4.838 . . . 1.0 . . . . . . . . . . . . A . 12 HIS NE2 . . . . . . . . . c19501_2mdq 1 . 19 . 3948 . 1 1 12 HIS O O 4.950 1.027 0.185 . . . 1.0 . . . . . . . . . . . . A . 12 HIS O . . . . . . . . . c19501_2mdq 1 . 19 . 3949 . 1 1 13 PRO C C 7.858 0.741 0.935 . . . 1.0 . . . . . . . . . . . . A . 13 PRO C . . . . . . . . . c19501_2mdq 1 . 19 . 3950 . 1 1 13 PRO CA C 7.266 -0.538 0.418 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CA . . . . . . . . . c19501_2mdq 1 . 19 . 3951 . 1 1 13 PRO CB C 8.374 -1.496 -0.034 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CB . . . . . . . . . c19501_2mdq 1 . 19 . 3952 . 1 1 13 PRO CD C 7.079 -0.949 -1.959 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CD . . . . . . . . . c19501_2mdq 1 . 19 . 3953 . 1 1 13 PRO CG C 7.927 -2.017 -1.359 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CG . . . . . . . . . c19501_2mdq 1 . 19 . 3954 . 1 1 13 PRO HA H 6.703 -0.991 1.212 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HA . . . . . . . . . c19501_2mdq 1 . 19 . 3955 . 1 1 13 PRO HB2 H 9.301 -0.949 -0.119 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HB2 . . . . . . . . . c19501_2mdq 1 . 19 . 3956 . 1 1 13 PRO HB3 H 8.488 -2.292 0.686 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HB3 . . . . . . . . . c19501_2mdq 1 . 19 . 3957 . 1 1 13 PRO HD2 H 7.690 -0.217 -2.466 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HD2 . . . . . . . . . c19501_2mdq 1 . 19 . 3958 . 1 1 13 PRO HD3 H 6.344 -1.371 -2.628 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HD3 . . . . . . . . . c19501_2mdq 1 . 19 . 3959 . 1 1 13 PRO HG2 H 8.785 -2.213 -1.983 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HG2 . . . . . . . . . c19501_2mdq 1 . 19 . 3960 . 1 1 13 PRO HG3 H 7.350 -2.920 -1.229 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HG3 . . . . . . . . . c19501_2mdq 1 . 19 . 3961 . 1 1 13 PRO N N 6.435 -0.355 -0.786 . . . 1.0 . . . . . . . . . . . . A . 13 PRO N . . . . . . . . . c19501_2mdq 1 . 19 . 3962 . 1 1 13 PRO O O 7.950 0.963 2.140 . . . 1.0 . . . . . . . . . . . . A . 13 PRO O . . . . . . . . . c19501_2mdq 1 . 19 . 3963 . 1 1 14 GLU C C 7.821 3.925 0.596 . . . 1.0 . . . . . . . . . . . . A . 14 GLU C . . . . . . . . . c19501_2mdq 1 . 19 . 3964 . 1 1 14 GLU CA C 8.835 2.820 0.312 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CA . . . . . . . . . c19501_2mdq 1 . 19 . 3965 . 1 1 14 GLU CB C 9.706 3.184 -0.862 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CB . . . . . . . . . c19501_2mdq 1 . 19 . 3966 . 1 1 14 GLU CD C 9.899 3.602 -3.311 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CD . . . . . . . . . c19501_2mdq 1 . 19 . 3967 . 1 1 14 GLU CG C 8.973 3.245 -2.194 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CG . . . . . . . . . c19501_2mdq 1 . 19 . 3968 . 1 1 14 GLU H H 8.036 1.344 -0.901 . . . 1.0 . . . . . . . . . . . . A . 14 GLU H . . . . . . . . . c19501_2mdq 1 . 19 . 3969 . 1 1 14 GLU HA H 9.475 2.691 1.172 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HA . . . . . . . . . c19501_2mdq 1 . 19 . 3970 . 1 1 14 GLU HB2 H 10.098 4.164 -0.665 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HB2 . . . . . . . . . c19501_2mdq 1 . 19 . 3971 . 1 1 14 GLU HB3 H 10.516 2.476 -0.944 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HB3 . . . . . . . . . c19501_2mdq 1 . 19 . 3972 . 1 1 14 GLU HG2 H 8.531 2.282 -2.402 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HG2 . . . . . . . . . c19501_2mdq 1 . 19 . 3973 . 1 1 14 GLU HG3 H 8.198 3.994 -2.132 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HG3 . . . . . . . . . c19501_2mdq 1 . 19 . 3974 . 1 1 14 GLU N N 8.204 1.581 0.030 . . . 1.0 . . . . . . . . . . . . A . 14 GLU N . . . . . . . . . c19501_2mdq 1 . 19 . 3975 . 1 1 14 GLU O O 8.197 5.062 0.874 . . . 1.0 . . . . . . . . . . . . A . 14 GLU O . . . . . . . . . c19501_2mdq 1 . 19 . 3976 . 1 1 14 GLU OE1 O 10.091 4.797 -3.570 . . . 1.0 . . . . . . . . . . . . A . 14 GLU OE1 . . . . . . . . . c19501_2mdq 1 . 19 . 3977 . 1 1 14 GLU OE2 O 10.497 2.695 -3.913 . . . 1.0 . . . . . . . . . . . . A . 14 GLU OE2 . . . . . . . . . c19501_2mdq 1 . 19 . 3978 . 1 1 15 ILE C C 4.761 4.175 2.017 . . . 1.0 . . . . . . . . . . . . A . 15 ILE C . . . . . . . . . c19501_2mdq 1 . 19 . 3979 . 1 1 15 ILE CA C 5.510 4.574 0.767 . . . 1.0 . . . . . . . . . . . . A . 15 ILE CA . . . . . . . . . c19501_2mdq 1 . 19 . 3980 . 1 1 15 ILE CB C 4.499 4.668 -0.416 . . . 1.0 . . . . . . . . . . . . A . 15 ILE CB . . . . . . . . . c19501_2mdq 1 . 19 . 3981 . 1 1 15 ILE CD1 C 6.114 6.033 -1.901 . . . 1.0 . . . . . . . . . . . . A . 15 ILE CD1 . . . . . . . . . c19501_2mdq 1 . 19 . 3982 . 1 1 15 ILE CG1 C 5.220 4.810 -1.775 . . . 1.0 . . . . . . . . . . . . A . 15 ILE CG1 . . . . . . . . . c19501_2mdq 1 . 19 . 3983 . 1 1 15 ILE CG2 C 3.527 5.833 -0.206 . . . 1.0 . . . . . . . . . . . . A . 15 ILE CG2 . . . . . . . . . c19501_2mdq 1 . 19 . 3984 . 1 1 15 ILE H H 6.309 2.666 0.323 . . . 1.0 . . . . . . . . . . . . A . 15 ILE H . . . . . . . . . c19501_2mdq 1 . 19 . 3985 . 1 1 15 ILE HA H 5.967 5.535 0.927 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HA . . . . . . . . . c19501_2mdq 1 . 19 . 3986 . 1 1 15 ILE HB H 3.916 3.761 -0.417 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HB . . . . . . . . . c19501_2mdq 1 . 19 . 3987 . 1 1 15 ILE HD11 H 6.552 6.057 -2.887 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HD11 . . . . . . . . . c19501_2mdq 1 . 19 . 3988 . 1 1 15 ILE HD12 H 6.894 5.979 -1.155 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HD12 . . . . . . . . . c19501_2mdq 1 . 19 . 3989 . 1 1 15 ILE HD13 H 5.523 6.921 -1.741 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HD13 . . . . . . . . . c19501_2mdq 1 . 19 . 3990 . 1 1 15 ILE HG12 H 5.841 3.940 -1.933 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HG12 . . . . . . . . . c19501_2mdq 1 . 19 . 3991 . 1 1 15 ILE HG13 H 4.478 4.856 -2.558 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HG13 . . . . . . . . . c19501_2mdq 1 . 19 . 3992 . 1 1 15 ILE HG21 H 2.834 5.878 -1.033 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HG21 . . . . . . . . . c19501_2mdq 1 . 19 . 3993 . 1 1 15 ILE HG22 H 4.081 6.759 -0.152 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HG22 . . . . . . . . . c19501_2mdq 1 . 19 . 3994 . 1 1 15 ILE HG23 H 2.983 5.685 0.716 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HG23 . . . . . . . . . c19501_2mdq 1 . 19 . 3995 . 1 1 15 ILE N N 6.550 3.595 0.522 . . . 1.0 . . . . . . . . . . . . A . 15 ILE N . . . . . . . . . c19501_2mdq 1 . 19 . 3996 . 1 1 15 ILE O O 4.605 4.957 2.959 . . . 1.0 . . . . . . . . . . . . A . 15 ILE O . . . . . . . . . c19501_2mdq 1 . 19 . 3997 . 1 1 16 CYS C C 4.228 1.073 3.511 . . . 1.0 . . . . . . . . . . . . A . 16 CYS C . . . . . . . . . c19501_2mdq 1 . 19 . 3998 . 1 1 16 CYS CA C 3.591 2.392 3.088 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CA . . . . . . . . . c19501_2mdq 1 . 19 . 3999 . 1 1 16 CYS CB C 2.170 2.182 2.649 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CB . . . . . . . . . c19501_2mdq 1 . 19 . 4000 . 1 1 16 CYS H H 4.490 2.382 1.244 . . . 1.0 . . . . . . . . . . . . A . 16 CYS H . . . . . . . . . c19501_2mdq 1 . 19 . 4001 . 1 1 16 CYS HA H 3.594 3.086 3.909 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HA . . . . . . . . . c19501_2mdq 1 . 19 . 4002 . 1 1 16 CYS HB2 H 2.240 1.576 1.766 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB2 . . . . . . . . . c19501_2mdq 1 . 19 . 4003 . 1 1 16 CYS HB3 H 1.649 1.647 3.426 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB3 . . . . . . . . . c19501_2mdq 1 . 19 . 4004 . 1 1 16 CYS N N 4.326 2.963 2.018 . . . 1.0 . . . . . . . . . . . . A . 16 CYS N . . . . . . . . . c19501_2mdq 1 . 19 . 4005 . 1 1 16 CYS O O 3.900 0.006 2.991 . . . 1.0 . . . . . . . . . . . . A . 16 CYS O . . . . . . . . . c19501_2mdq 1 . 19 . 4006 . 1 1 16 CYS SG S 1.244 3.713 2.228 . . . 1.0 . . . . . . . . . . . . A . 16 CYS SG . . . . . . . . . c19501_2mdq 1 . 19 . 4007 . 1 1 17 NH2 HN1 H 5.370 2.040 4.765 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 HN1 . . . . . . . . . c19501_2mdq 1 . 19 . 4008 . 1 1 17 NH2 HN2 H 5.652 0.333 4.655 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 HN2 . . . . . . . . . c19501_2mdq 1 . 19 . 4009 . 1 1 17 NH2 N N 5.177 1.151 4.402 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 N . . . . . . . . . c19501_2mdq 1 . 20 . 4010 . 1 1 1 GLY C C -3.884 4.277 -3.277 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c19501_2mdq 1 . 20 . 4011 . 1 1 1 GLY CA C -3.806 5.697 -3.800 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c19501_2mdq 1 . 20 . 4012 . 1 1 1 GLY H1 H -5.757 5.819 -4.536 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c19501_2mdq 1 . 20 . 4013 . 1 1 1 GLY H2 H -4.623 5.306 -5.681 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H2 . . . . . . . . . c19501_2mdq 1 . 20 . 4014 . 1 1 1 GLY H3 H -4.691 6.936 -5.230 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H3 . . . . . . . . . c19501_2mdq 1 . 20 . 4015 . 1 1 1 GLY HA2 H -2.810 5.876 -4.177 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c19501_2mdq 1 . 20 . 4016 . 1 1 1 GLY HA3 H -3.998 6.380 -2.985 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c19501_2mdq 1 . 20 . 4017 . 1 1 1 GLY N N -4.788 5.958 -4.887 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c19501_2mdq 1 . 20 . 4018 . 1 1 1 GLY O O -4.836 3.915 -2.585 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c19501_2mdq 1 . 20 . 4019 . 1 1 2 CYS C C -2.760 1.983 -1.656 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . c19501_2mdq 1 . 20 . 4020 . 1 1 2 CYS CA C -2.828 2.087 -3.170 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . c19501_2mdq 1 . 20 . 4021 . 1 1 2 CYS CB C -1.626 1.401 -3.788 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . c19501_2mdq 1 . 20 . 4022 . 1 1 2 CYS H H -2.149 3.818 -4.157 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . c19501_2mdq 1 . 20 . 4023 . 1 1 2 CYS HA H -3.713 1.603 -3.514 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . c19501_2mdq 1 . 20 . 4024 . 1 1 2 CYS HB2 H -0.869 2.141 -3.954 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . c19501_2mdq 1 . 20 . 4025 . 1 1 2 CYS HB3 H -1.254 0.663 -3.104 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . c19501_2mdq 1 . 20 . 4026 . 1 1 2 CYS N N -2.879 3.471 -3.607 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . c19501_2mdq 1 . 20 . 4027 . 1 1 2 CYS O O -3.097 0.950 -1.076 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . c19501_2mdq 1 . 20 . 4028 . 1 1 2 CYS SG S -1.958 0.586 -5.382 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . c19501_2mdq 1 . 20 . 4029 . 1 1 3 CYS C C -3.558 3.003 1.085 . . . 1.0 . . . . . . . . . . . . A . 3 CYS C . . . . . . . . . c19501_2mdq 1 . 20 . 4030 . 1 1 3 CYS CA C -2.198 3.098 0.420 . . . 1.0 . . . . . . . . . . . . A . 3 CYS CA . . . . . . . . . c19501_2mdq 1 . 20 . 4031 . 1 1 3 CYS CB C -1.479 4.371 0.855 . . . 1.0 . . . . . . . . . . . . A . 3 CYS CB . . . . . . . . . c19501_2mdq 1 . 20 . 4032 . 1 1 3 CYS H H -2.064 3.841 -1.551 . . . 1.0 . . . . . . . . . . . . A . 3 CYS H . . . . . . . . . c19501_2mdq 1 . 20 . 4033 . 1 1 3 CYS HA H -1.621 2.246 0.717 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HA . . . . . . . . . c19501_2mdq 1 . 20 . 4034 . 1 1 3 CYS HB2 H -1.721 5.165 0.164 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HB2 . . . . . . . . . c19501_2mdq 1 . 20 . 4035 . 1 1 3 CYS HB3 H -1.816 4.644 1.840 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HB3 . . . . . . . . . c19501_2mdq 1 . 20 . 4036 . 1 1 3 CYS N N -2.318 3.057 -1.027 . . . 1.0 . . . . . . . . . . . . A . 3 CYS N . . . . . . . . . c19501_2mdq 1 . 20 . 4037 . 1 1 3 CYS O O -3.711 2.372 2.131 . . . 1.0 . . . . . . . . . . . . A . 3 CYS O . . . . . . . . . c19501_2mdq 1 . 20 . 4038 . 1 1 3 CYS SG S 0.337 4.217 0.902 . . . 1.0 . . . . . . . . . . . . A . 3 CYS SG . . . . . . . . . c19501_2mdq 1 . 20 . 4039 . 1 1 4 SER C C -6.432 2.177 0.930 . . . 1.0 . . . . . . . . . . . . A . 4 SER C . . . . . . . . . c19501_2mdq 1 . 20 . 4040 . 1 1 4 SER CA C -5.903 3.604 0.986 . . . 1.0 . . . . . . . . . . . . A . 4 SER CA . . . . . . . . . c19501_2mdq 1 . 20 . 4041 . 1 1 4 SER CB C -6.806 4.533 0.173 . . . 1.0 . . . . . . . . . . . . A . 4 SER CB . . . . . . . . . c19501_2mdq 1 . 20 . 4042 . 1 1 4 SER H H -4.342 4.131 -0.347 . . . 1.0 . . . . . . . . . . . . A . 4 SER H . . . . . . . . . c19501_2mdq 1 . 20 . 4043 . 1 1 4 SER HA H -5.881 3.933 2.014 . . . 1.0 . . . . . . . . . . . . A . 4 SER HA . . . . . . . . . c19501_2mdq 1 . 20 . 4044 . 1 1 4 SER HB2 H -6.838 4.196 -0.852 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB2 . . . . . . . . . c19501_2mdq 1 . 20 . 4045 . 1 1 4 SER HB3 H -7.803 4.516 0.589 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB3 . . . . . . . . . c19501_2mdq 1 . 20 . 4046 . 1 1 4 SER HG H -6.120 6.114 1.104 . . . 1.0 . . . . . . . . . . . . A . 4 SER HG . . . . . . . . . c19501_2mdq 1 . 20 . 4047 . 1 1 4 SER N N -4.541 3.635 0.470 . . . 1.0 . . . . . . . . . . . . A . 4 SER N . . . . . . . . . c19501_2mdq 1 . 20 . 4048 . 1 1 4 SER O O -7.473 1.855 1.503 . . . 1.0 . . . . . . . . . . . . A . 4 SER O . . . . . . . . . c19501_2mdq 1 . 20 . 4049 . 1 1 4 SER OG O -6.324 5.865 0.200 . . . 1.0 . . . . . . . . . . . . A . 4 SER OG . . . . . . . . . c19501_2mdq 1 . 20 . 4050 . 1 1 5 HIS C C -5.115 -0.939 0.931 . . . 1.0 . . . . . . . . . . . . A . 5 HIS C . . . . . . . . . c19501_2mdq 1 . 20 . 4051 . 1 1 5 HIS CA C -6.030 -0.072 0.068 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CA . . . . . . . . . c19501_2mdq 1 . 20 . 4052 . 1 1 5 HIS CB C -5.892 -0.474 -1.398 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CB . . . . . . . . . c19501_2mdq 1 . 20 . 4053 . 1 1 5 HIS CD2 C -6.935 1.311 -2.961 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CD2 . . . . . . . . . c19501_2mdq 1 . 20 . 4054 . 1 1 5 HIS CE1 C -8.825 0.349 -3.386 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CE1 . . . . . . . . . c19501_2mdq 1 . 20 . 4055 . 1 1 5 HIS CG C -6.937 0.133 -2.285 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CG . . . . . . . . . c19501_2mdq 1 . 20 . 4056 . 1 1 5 HIS H H -4.876 1.669 -0.208 . . . 1.0 . . . . . . . . . . . . A . 5 HIS H . . . . . . . . . c19501_2mdq 1 . 20 . 4057 . 1 1 5 HIS HA H -7.053 -0.208 0.383 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HA . . . . . . . . . c19501_2mdq 1 . 20 . 4058 . 1 1 5 HIS HB2 H -4.924 -0.152 -1.756 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB2 . . . . . . . . . c19501_2mdq 1 . 20 . 4059 . 1 1 5 HIS HB3 H -5.964 -1.548 -1.479 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB3 . . . . . . . . . c19501_2mdq 1 . 20 . 4060 . 1 1 5 HIS HD1 H -8.453 -1.331 -2.227 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD1 . . . . . . . . . c19501_2mdq 1 . 20 . 4061 . 1 1 5 HIS HD2 H -6.137 2.038 -2.966 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD2 . . . . . . . . . c19501_2mdq 1 . 20 . 4062 . 1 1 5 HIS HE1 H -9.811 0.138 -3.775 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HE1 . . . . . . . . . c19501_2mdq 1 . 20 . 4063 . 1 1 5 HIS N N -5.688 1.331 0.224 . . . 1.0 . . . . . . . . . . . . A . 5 HIS N . . . . . . . . . c19501_2mdq 1 . 20 . 4064 . 1 1 5 HIS ND1 N -8.145 -0.465 -2.567 . . . 1.0 . . . . . . . . . . . . A . 5 HIS ND1 . . . . . . . . . c19501_2mdq 1 . 20 . 4065 . 1 1 5 HIS NE2 N -8.135 1.441 -3.654 . . . 1.0 . . . . . . . . . . . . A . 5 HIS NE2 . . . . . . . . . c19501_2mdq 1 . 20 . 4066 . 1 1 5 HIS O O -3.969 -0.572 1.180 . . . 1.0 . . . . . . . . . . . . A . 5 HIS O . . . . . . . . . c19501_2mdq 1 . 20 . 4067 . 1 1 6 PRO C C -3.938 -3.950 1.423 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . c19501_2mdq 1 . 20 . 4068 . 1 1 6 PRO CA C -4.820 -3.005 2.238 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . c19501_2mdq 1 . 20 . 4069 . 1 1 6 PRO CB C -5.898 -3.791 2.978 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . c19501_2mdq 1 . 20 . 4070 . 1 1 6 PRO CD C -6.974 -2.612 1.179 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . c19501_2mdq 1 . 20 . 4071 . 1 1 6 PRO CG C -7.032 -3.869 2.013 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . c19501_2mdq 1 . 20 . 4072 . 1 1 6 PRO HA H -4.212 -2.464 2.948 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . c19501_2mdq 1 . 20 . 4073 . 1 1 6 PRO HB2 H -5.522 -4.772 3.232 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB2 . . . . . . . . . c19501_2mdq 1 . 20 . 4074 . 1 1 6 PRO HB3 H -6.180 -3.263 3.877 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . c19501_2mdq 1 . 20 . 4075 . 1 1 6 PRO HD2 H -7.131 -2.845 0.136 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD2 . . . . . . . . . c19501_2mdq 1 . 20 . 4076 . 1 1 6 PRO HD3 H -7.712 -1.901 1.520 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . c19501_2mdq 1 . 20 . 4077 . 1 1 6 PRO HG2 H -6.916 -4.740 1.385 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG2 . . . . . . . . . c19501_2mdq 1 . 20 . 4078 . 1 1 6 PRO HG3 H -7.967 -3.918 2.551 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . c19501_2mdq 1 . 20 . 4079 . 1 1 6 PRO N N -5.608 -2.099 1.403 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . c19501_2mdq 1 . 20 . 4080 . 1 1 6 PRO O O -2.804 -4.238 1.805 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . c19501_2mdq 1 . 20 . 4081 . 1 1 7 ALA C C -2.598 -4.674 -1.316 . . . 1.0 . . . . . . . . . . . . A . 7 ALA C . . . . . . . . . c19501_2mdq 1 . 20 . 4082 . 1 1 7 ALA CA C -3.737 -5.356 -0.559 . . . 1.0 . . . . . . . . . . . . A . 7 ALA CA . . . . . . . . . c19501_2mdq 1 . 20 . 4083 . 1 1 7 ALA CB C -4.693 -6.021 -1.538 . . . 1.0 . . . . . . . . . . . . A . 7 ALA CB . . . . . . . . . c19501_2mdq 1 . 20 . 4084 . 1 1 7 ALA H H -5.370 -4.150 0.043 . . . 1.0 . . . . . . . . . . . . A . 7 ALA H . . . . . . . . . c19501_2mdq 1 . 20 . 4085 . 1 1 7 ALA HA H -3.319 -6.128 0.070 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HA . . . . . . . . . c19501_2mdq 1 . 20 . 4086 . 1 1 7 ALA HB1 H -5.499 -6.488 -0.992 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB1 . . . . . . . . . c19501_2mdq 1 . 20 . 4087 . 1 1 7 ALA HB2 H -4.162 -6.770 -2.107 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB2 . . . . . . . . . c19501_2mdq 1 . 20 . 4088 . 1 1 7 ALA HB3 H -5.095 -5.278 -2.209 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB3 . . . . . . . . . c19501_2mdq 1 . 20 . 4089 . 1 1 7 ALA N N -4.466 -4.428 0.301 . . . 1.0 . . . . . . . . . . . . A . 7 ALA N . . . . . . . . . c19501_2mdq 1 . 20 . 4090 . 1 1 7 ALA O O -1.489 -5.202 -1.385 . . . 1.0 . . . . . . . . . . . . A . 7 ALA O . . . . . . . . . c19501_2mdq 1 . 20 . 4091 . 1 1 8 CYS C C -0.957 -1.945 -1.739 . . . 1.0 . . . . . . . . . . . . A . 8 CYS C . . . . . . . . . c19501_2mdq 1 . 20 . 4092 . 1 1 8 CYS CA C -1.865 -2.773 -2.648 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CA . . . . . . . . . c19501_2mdq 1 . 20 . 4093 . 1 1 8 CYS CB C -2.538 -1.867 -3.682 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CB . . . . . . . . . c19501_2mdq 1 . 20 . 4094 . 1 1 8 CYS H H -3.770 -3.118 -1.780 . . . 1.0 . . . . . . . . . . . . A . 8 CYS H . . . . . . . . . c19501_2mdq 1 . 20 . 4095 . 1 1 8 CYS HA H -1.261 -3.501 -3.166 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HA . . . . . . . . . c19501_2mdq 1 . 20 . 4096 . 1 1 8 CYS HB2 H -3.375 -2.391 -4.119 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB2 . . . . . . . . . c19501_2mdq 1 . 20 . 4097 . 1 1 8 CYS HB3 H -2.896 -0.975 -3.189 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB3 . . . . . . . . . c19501_2mdq 1 . 20 . 4098 . 1 1 8 CYS N N -2.873 -3.501 -1.881 . . . 1.0 . . . . . . . . . . . . A . 8 CYS N . . . . . . . . . c19501_2mdq 1 . 20 . 4099 . 1 1 8 CYS O O -0.196 -1.102 -2.212 . . . 1.0 . . . . . . . . . . . . A . 8 CYS O . . . . . . . . . c19501_2mdq 1 . 20 . 4100 . 1 1 8 CYS SG S -1.440 -1.347 -5.042 . . . 1.0 . . . . . . . . . . . . A . 8 CYS SG . . . . . . . . . c19501_2mdq 1 . 20 . 4101 . 1 1 9 ASN C C 1.102 -2.169 0.794 . . . 1.0 . . . . . . . . . . . . A . 9 ASN C . . . . . . . . . c19501_2mdq 1 . 20 . 4102 . 1 1 9 ASN CA C -0.221 -1.462 0.534 . . . 1.0 . . . . . . . . . . . . A . 9 ASN CA . . . . . . . . . c19501_2mdq 1 . 20 . 4103 . 1 1 9 ASN CB C -0.976 -1.312 1.850 . . . 1.0 . . . . . . . . . . . . A . 9 ASN CB . . . . . . . . . c19501_2mdq 1 . 20 . 4104 . 1 1 9 ASN CG C -0.432 -0.193 2.720 . . . 1.0 . . . . . . . . . . . . A . 9 ASN CG . . . . . . . . . c19501_2mdq 1 . 20 . 4105 . 1 1 9 ASN H H -1.656 -2.880 -0.115 . . . 1.0 . . . . . . . . . . . . A . 9 ASN H . . . . . . . . . c19501_2mdq 1 . 20 . 4106 . 1 1 9 ASN HA H -0.021 -0.490 0.133 . . . 1.0 . . . . . . . . . . . . A . 9 ASN HA . . . . . . . . . c19501_2mdq 1 . 20 . 4107 . 1 1 9 ASN HB2 H -2.012 -1.112 1.642 . . . 1.0 . . . . . . . . . . . . A . 9 ASN HB2 . . . . . . . . . c19501_2mdq 1 . 20 . 4108 . 1 1 9 ASN HB3 H -0.898 -2.234 2.397 . . . 1.0 . . . . . . . . . . . . A . 9 ASN HB3 . . . . . . . . . c19501_2mdq 1 . 20 . 4109 . 1 1 9 ASN HD21 H -0.164 0.968 1.126 . . . 1.0 . . . . . . . . . . . . A . 9 ASN HD21 . . . . . . . . . c19501_2mdq 1 . 20 . 4110 . 1 1 9 ASN HD22 H 0.285 1.659 2.642 . . . 1.0 . . . . . . . . . . . . A . 9 ASN HD22 . . . . . . . . . c19501_2mdq 1 . 20 . 4111 . 1 1 9 ASN N N -1.036 -2.192 -0.436 . . . 1.0 . . . . . . . . . . . . A . 9 ASN N . . . . . . . . . c19501_2mdq 1 . 20 . 4112 . 1 1 9 ASN ND2 N -0.067 0.924 2.099 . . . 1.0 . . . . . . . . . . . . A . 9 ASN ND2 . . . . . . . . . c19501_2mdq 1 . 20 . 4113 . 1 1 9 ASN O O 2.172 -1.565 0.724 . . . 1.0 . . . . . . . . . . . . A . 9 ASN O . . . . . . . . . c19501_2mdq 1 . 20 . 4114 . 1 1 9 ASN OD1 O -0.353 -0.326 3.941 . . . 1.0 . . . . . . . . . . . . A . 9 ASN OD1 . . . . . . . . . c19501_2mdq 1 . 20 . 4115 . 1 1 10 VAL C C 3.218 -4.238 0.292 . . . 1.0 . . . . . . . . . . . . A . 10 VAL C . . . . . . . . . c19501_2mdq 1 . 20 . 4116 . 1 1 10 VAL CA C 2.174 -4.271 1.407 . . . 1.0 . . . . . . . . . . . . A . 10 VAL CA . . . . . . . . . c19501_2mdq 1 . 20 . 4117 . 1 1 10 VAL CB C 1.772 -5.732 1.667 . . . 1.0 . . . . . . . . . . . . A . 10 VAL CB . . . . . . . . . c19501_2mdq 1 . 20 . 4118 . 1 1 10 VAL CG1 C 2.966 -6.537 2.157 . . . 1.0 . . . . . . . . . . . . A . 10 VAL CG1 . . . . . . . . . c19501_2mdq 1 . 20 . 4119 . 1 1 10 VAL CG2 C 0.626 -5.802 2.664 . . . 1.0 . . . . . . . . . . . . A . 10 VAL CG2 . . . . . . . . . c19501_2mdq 1 . 20 . 4120 . 1 1 10 VAL H H 0.114 -3.856 1.136 . . . 1.0 . . . . . . . . . . . . A . 10 VAL H . . . . . . . . . c19501_2mdq 1 . 20 . 4121 . 1 1 10 VAL HA H 2.620 -3.886 2.309 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HA . . . . . . . . . c19501_2mdq 1 . 20 . 4122 . 1 1 10 VAL HB H 1.437 -6.158 0.737 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HB . . . . . . . . . c19501_2mdq 1 . 20 . 4123 . 1 1 10 VAL HG11 H 3.323 -6.123 3.088 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG11 . . . . . . . . . c19501_2mdq 1 . 20 . 4124 . 1 1 10 VAL HG12 H 3.755 -6.498 1.420 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG12 . . . . . . . . . c19501_2mdq 1 . 20 . 4125 . 1 1 10 VAL HG13 H 2.669 -7.565 2.311 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG13 . . . . . . . . . c19501_2mdq 1 . 20 . 4126 . 1 1 10 VAL HG21 H 0.352 -6.833 2.824 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG21 . . . . . . . . . c19501_2mdq 1 . 20 . 4127 . 1 1 10 VAL HG22 H -0.223 -5.260 2.275 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG22 . . . . . . . . . c19501_2mdq 1 . 20 . 4128 . 1 1 10 VAL HG23 H 0.936 -5.362 3.601 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG23 . . . . . . . . . c19501_2mdq 1 . 20 . 4129 . 1 1 10 VAL N N 1.004 -3.450 1.105 . . . 1.0 . . . . . . . . . . . . A . 10 VAL N . . . . . . . . . c19501_2mdq 1 . 20 . 4130 . 1 1 10 VAL O O 4.416 -4.162 0.563 . . . 1.0 . . . . . . . . . . . . A . 10 VAL O . . . . . . . . . c19501_2mdq 1 . 20 . 4131 . 1 1 11 ASP C C 4.253 -2.906 -2.365 . . . 1.0 . . . . . . . . . . . . A . 11 ASP C . . . . . . . . . c19501_2mdq 1 . 20 . 4132 . 1 1 11 ASP CA C 3.686 -4.294 -2.093 . . . 1.0 . . . . . . . . . . . . A . 11 ASP CA . . . . . . . . . c19501_2mdq 1 . 20 . 4133 . 1 1 11 ASP CB C 2.993 -4.839 -3.346 . . . 1.0 . . . . . . . . . . . . A . 11 ASP CB . . . . . . . . . c19501_2mdq 1 . 20 . 4134 . 1 1 11 ASP CG C 1.693 -4.125 -3.647 . . . 1.0 . . . . . . . . . . . . A . 11 ASP CG . . . . . . . . . c19501_2mdq 1 . 20 . 4135 . 1 1 11 ASP H H 1.801 -4.343 -1.119 . . . 1.0 . . . . . . . . . . . . A . 11 ASP H . . . . . . . . . c19501_2mdq 1 . 20 . 4136 . 1 1 11 ASP HA H 4.504 -4.947 -1.842 . . . 1.0 . . . . . . . . . . . . A . 11 ASP HA . . . . . . . . . c19501_2mdq 1 . 20 . 4137 . 1 1 11 ASP HB2 H 3.653 -4.720 -4.193 . . . 1.0 . . . . . . . . . . . . A . 11 ASP HB2 . . . . . . . . . c19501_2mdq 1 . 20 . 4138 . 1 1 11 ASP HB3 H 2.783 -5.889 -3.204 . . . 1.0 . . . . . . . . . . . . A . 11 ASP HB3 . . . . . . . . . c19501_2mdq 1 . 20 . 4139 . 1 1 11 ASP N N 2.767 -4.298 -0.957 . . . 1.0 . . . . . . . . . . . . A . 11 ASP N . . . . . . . . . c19501_2mdq 1 . 20 . 4140 . 1 1 11 ASP O O 5.023 -2.715 -3.307 . . . 1.0 . . . . . . . . . . . . A . 11 ASP O . . . . . . . . . c19501_2mdq 1 . 20 . 4141 . 1 1 11 ASP OD1 O 0.671 -4.467 -3.017 . . . 1.0 . . . . . . . . . . . . A . 11 ASP OD1 . . . . . . . . . c19501_2mdq 1 . 20 . 4142 . 1 1 11 ASP OD2 O 1.695 -3.225 -4.513 . . . 1.0 . . . . . . . . . . . . A . 11 ASP OD2 . . . . . . . . . c19501_2mdq 1 . 20 . 4143 . 1 1 12 HIS C C 5.123 -0.122 -0.444 . . . 1.0 . . . . . . . . . . . . A . 12 HIS C . . . . . . . . . c19501_2mdq 1 . 20 . 4144 . 1 1 12 HIS CA C 4.355 -0.576 -1.687 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CA . . . . . . . . . c19501_2mdq 1 . 20 . 4145 . 1 1 12 HIS CB C 3.182 0.359 -1.948 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CB . . . . . . . . . c19501_2mdq 1 . 20 . 4146 . 1 1 12 HIS CD2 C 2.009 -0.217 -4.181 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CD2 . . . . . . . . . c19501_2mdq 1 . 20 . 4147 . 1 1 12 HIS CE1 C 2.855 1.326 -5.438 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CE1 . . . . . . . . . c19501_2mdq 1 . 20 . 4148 . 1 1 12 HIS CG C 2.844 0.511 -3.398 . . . 1.0 . . . . . . . . . . . . A . 12 HIS CG . . . . . . . . . c19501_2mdq 1 . 20 . 4149 . 1 1 12 HIS H H 3.253 -2.148 -0.815 . . . 1.0 . . . . . . . . . . . . A . 12 HIS H . . . . . . . . . c19501_2mdq 1 . 20 . 4150 . 1 1 12 HIS HA H 5.016 -0.548 -2.536 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HA . . . . . . . . . c19501_2mdq 1 . 20 . 4151 . 1 1 12 HIS HB2 H 2.312 -0.030 -1.447 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HB2 . . . . . . . . . c19501_2mdq 1 . 20 . 4152 . 1 1 12 HIS HB3 H 3.413 1.330 -1.550 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HB3 . . . . . . . . . c19501_2mdq 1 . 20 . 4153 . 1 1 12 HIS HD1 H 4.015 2.177 -3.945 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HD1 . . . . . . . . . c19501_2mdq 1 . 20 . 4154 . 1 1 12 HIS HD2 H 1.424 -1.068 -3.864 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HD2 . . . . . . . . . c19501_2mdq 1 . 20 . 4155 . 1 1 12 HIS HE1 H 3.091 1.949 -6.287 . . . 1.0 . . . . . . . . . . . . A . 12 HIS HE1 . . . . . . . . . c19501_2mdq 1 . 20 . 4156 . 1 1 12 HIS N N 3.873 -1.940 -1.538 . . . 1.0 . . . . . . . . . . . . A . 12 HIS N . . . . . . . . . c19501_2mdq 1 . 20 . 4157 . 1 1 12 HIS ND1 N 3.373 1.487 -4.212 . . . 1.0 . . . . . . . . . . . . A . 12 HIS ND1 . . . . . . . . . c19501_2mdq 1 . 20 . 4158 . 1 1 12 HIS NE2 N 2.021 0.304 -5.471 . . . 1.0 . . . . . . . . . . . . A . 12 HIS NE2 . . . . . . . . . c19501_2mdq 1 . 20 . 4159 . 1 1 12 HIS O O 4.644 0.720 0.317 . . . 1.0 . . . . . . . . . . . . A . 12 HIS O . . . . . . . . . c19501_2mdq 1 . 20 . 4160 . 1 1 13 PRO C C 7.834 1.051 0.761 . . . 1.0 . . . . . . . . . . . . A . 13 PRO C . . . . . . . . . c19501_2mdq 1 . 20 . 4161 . 1 1 13 PRO CA C 7.162 -0.303 0.925 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CA . . . . . . . . . c19501_2mdq 1 . 20 . 4162 . 1 1 13 PRO CB C 8.204 -1.420 0.970 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CB . . . . . . . . . c19501_2mdq 1 . 20 . 4163 . 1 1 13 PRO CD C 7.002 -1.656 -1.097 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CD . . . . . . . . . c19501_2mdq 1 . 20 . 4164 . 1 1 13 PRO CG C 8.346 -1.864 -0.446 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CG . . . . . . . . . c19501_2mdq 1 . 20 . 4165 . 1 1 13 PRO HA H 6.586 -0.307 1.834 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HA . . . . . . . . . c19501_2mdq 1 . 20 . 4166 . 1 1 13 PRO HB2 H 9.135 -1.031 1.359 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HB2 . . . . . . . . . c19501_2mdq 1 . 20 . 4167 . 1 1 13 PRO HB3 H 7.850 -2.221 1.601 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HB3 . . . . . . . . . c19501_2mdq 1 . 20 . 4168 . 1 1 13 PRO HD2 H 7.125 -1.273 -2.098 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HD2 . . . . . . . . . c19501_2mdq 1 . 20 . 4169 . 1 1 13 PRO HD3 H 6.446 -2.581 -1.112 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HD3 . . . . . . . . . c19501_2mdq 1 . 20 . 4170 . 1 1 13 PRO HG2 H 9.097 -1.268 -0.943 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HG2 . . . . . . . . . c19501_2mdq 1 . 20 . 4171 . 1 1 13 PRO HG3 H 8.617 -2.908 -0.475 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HG3 . . . . . . . . . c19501_2mdq 1 . 20 . 4172 . 1 1 13 PRO N N 6.339 -0.660 -0.232 . . . 1.0 . . . . . . . . . . . . A . 13 PRO N . . . . . . . . . c19501_2mdq 1 . 20 . 4173 . 1 1 13 PRO O O 8.410 1.593 1.704 . . . 1.0 . . . . . . . . . . . . A . 13 PRO O . . . . . . . . . c19501_2mdq 1 . 20 . 4174 . 1 1 14 GLU C C 7.325 4.001 -0.598 . . . 1.0 . . . . . . . . . . . . A . 14 GLU C . . . . . . . . . c19501_2mdq 1 . 20 . 4175 . 1 1 14 GLU CA C 8.344 2.876 -0.756 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CA . . . . . . . . . c19501_2mdq 1 . 20 . 4176 . 1 1 14 GLU CB C 8.894 2.863 -2.181 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CB . . . . . . . . . c19501_2mdq 1 . 20 . 4177 . 1 1 14 GLU CD C 8.595 2.100 -4.571 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CD . . . . . . . . . c19501_2mdq 1 . 20 . 4178 . 1 1 14 GLU CG C 8.034 2.083 -3.163 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CG . . . . . . . . . c19501_2mdq 1 . 20 . 4179 . 1 1 14 GLU H H 7.282 1.107 -1.151 . . . 1.0 . . . . . . . . . . . . A . 14 GLU H . . . . . . . . . c19501_2mdq 1 . 20 . 4180 . 1 1 14 GLU HA H 9.159 3.043 -0.068 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HA . . . . . . . . . c19501_2mdq 1 . 20 . 4181 . 1 1 14 GLU HB2 H 8.961 3.876 -2.529 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HB2 . . . . . . . . . c19501_2mdq 1 . 20 . 4182 . 1 1 14 GLU HB3 H 9.881 2.426 -2.173 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HB3 . . . . . . . . . c19501_2mdq 1 . 20 . 4183 . 1 1 14 GLU HG2 H 7.972 1.058 -2.830 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HG2 . . . . . . . . . c19501_2mdq 1 . 20 . 4184 . 1 1 14 GLU HG3 H 7.044 2.516 -3.179 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HG3 . . . . . . . . . c19501_2mdq 1 . 20 . 4185 . 1 1 14 GLU N N 7.753 1.589 -0.447 . . . 1.0 . . . . . . . . . . . . A . 14 GLU N . . . . . . . . . c19501_2mdq 1 . 20 . 4186 . 1 1 14 GLU O O 7.655 5.175 -0.769 . . . 1.0 . . . . . . . . . . . . A . 14 GLU O . . . . . . . . . c19501_2mdq 1 . 20 . 4187 . 1 1 14 GLU OE1 O 9.474 1.265 -4.870 . . . 1.0 . . . . . . . . . . . . A . 14 GLU OE1 . . . . . . . . . c19501_2mdq 1 . 20 . 4188 . 1 1 14 GLU OE2 O 8.154 2.948 -5.375 . . . 1.0 . . . . . . . . . . . . A . 14 GLU OE2 . . . . . . . . . c19501_2mdq 1 . 20 . 4189 . 1 1 15 ILE C C 4.598 4.713 1.365 . . . 1.0 . . . . . . . . . . . . A . 15 ILE C . . . . . . . . . c19501_2mdq 1 . 20 . 4190 . 1 1 15 ILE CA C 5.030 4.628 -0.094 . . . 1.0 . . . . . . . . . . . . A . 15 ILE CA . . . . . . . . . c19501_2mdq 1 . 20 . 4191 . 1 1 15 ILE CB C 3.799 4.310 -0.970 . . . 1.0 . . . . . . . . . . . . A . 15 ILE CB . . . . . . . . . c19501_2mdq 1 . 20 . 4192 . 1 1 15 ILE CD1 C 4.978 5.121 -3.085 . . . 1.0 . . . . . . . . . . . . A . 15 ILE CD1 . . . . . . . . . c19501_2mdq 1 . 20 . 4193 . 1 1 15 ILE CG1 C 4.226 3.995 -2.407 . . . 1.0 . . . . . . . . . . . . A . 15 ILE CG1 . . . . . . . . . c19501_2mdq 1 . 20 . 4194 . 1 1 15 ILE CG2 C 2.818 5.474 -0.948 . . . 1.0 . . . . . . . . . . . . A . 15 ILE CG2 . . . . . . . . . c19501_2mdq 1 . 20 . 4195 . 1 1 15 ILE H H 5.878 2.685 -0.146 . . . 1.0 . . . . . . . . . . . . A . 15 ILE H . . . . . . . . . c19501_2mdq 1 . 20 . 4196 . 1 1 15 ILE HA H 5.418 5.585 -0.394 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HA . . . . . . . . . c19501_2mdq 1 . 20 . 4197 . 1 1 15 ILE HB H 3.303 3.447 -0.552 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HB . . . . . . . . . c19501_2mdq 1 . 20 . 4198 . 1 1 15 ILE HD11 H 5.873 5.348 -2.524 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HD11 . . . . . . . . . c19501_2mdq 1 . 20 . 4199 . 1 1 15 ILE HD12 H 4.350 5.999 -3.131 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HD12 . . . . . . . . . c19501_2mdq 1 . 20 . 4200 . 1 1 15 ILE HD13 H 5.250 4.822 -4.087 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HD13 . . . . . . . . . c19501_2mdq 1 . 20 . 4201 . 1 1 15 ILE HG12 H 4.867 3.127 -2.402 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HG12 . . . . . . . . . c19501_2mdq 1 . 20 . 4202 . 1 1 15 ILE HG13 H 3.347 3.782 -2.997 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HG13 . . . . . . . . . c19501_2mdq 1 . 20 . 4203 . 1 1 15 ILE HG21 H 1.979 5.250 -1.589 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HG21 . . . . . . . . . c19501_2mdq 1 . 20 . 4204 . 1 1 15 ILE HG22 H 3.312 6.367 -1.299 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HG22 . . . . . . . . . c19501_2mdq 1 . 20 . 4205 . 1 1 15 ILE HG23 H 2.468 5.630 0.062 . . . 1.0 . . . . . . . . . . . . A . 15 ILE HG23 . . . . . . . . . c19501_2mdq 1 . 20 . 4206 . 1 1 15 ILE N N 6.086 3.638 -0.272 . . . 1.0 . . . . . . . . . . . . A . 15 ILE N . . . . . . . . . c19501_2mdq 1 . 20 . 4207 . 1 1 15 ILE O O 4.881 5.695 2.053 . . . 1.0 . . . . . . . . . . . . A . 15 ILE O . . . . . . . . . c19501_2mdq 1 . 20 . 4208 . 1 1 16 CYS C C 4.284 2.657 4.032 . . . 1.0 . . . . . . . . . . . . A . 16 CYS C . . . . . . . . . c19501_2mdq 1 . 20 . 4209 . 1 1 16 CYS CA C 3.441 3.621 3.203 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CA . . . . . . . . . c19501_2mdq 1 . 20 . 4210 . 1 1 16 CYS CB C 1.975 3.208 3.250 . . . 1.0 . . . . . . . . . . . . A . 16 CYS CB . . . . . . . . . c19501_2mdq 1 . 20 . 4211 . 1 1 16 CYS H H 3.722 2.934 1.220 . . . 1.0 . . . . . . . . . . . . A . 16 CYS H . . . . . . . . . c19501_2mdq 1 . 20 . 4212 . 1 1 16 CYS HA H 3.532 4.605 3.621 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HA . . . . . . . . . c19501_2mdq 1 . 20 . 4213 . 1 1 16 CYS HB2 H 1.821 2.419 2.542 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB2 . . . . . . . . . c19501_2mdq 1 . 20 . 4214 . 1 1 16 CYS HB3 H 1.739 2.850 4.240 . . . 1.0 . . . . . . . . . . . . A . 16 CYS HB3 . . . . . . . . . c19501_2mdq 1 . 20 . 4215 . 1 1 16 CYS N N 3.914 3.678 1.825 . . . 1.0 . . . . . . . . . . . . A . 16 CYS N . . . . . . . . . c19501_2mdq 1 . 20 . 4216 . 1 1 16 CYS O O 5.143 3.076 4.807 . . . 1.0 . . . . . . . . . . . . A . 16 CYS O . . . . . . . . . c19501_2mdq 1 . 20 . 4217 . 1 1 16 CYS SG S 0.807 4.549 2.848 . . . 1.0 . . . . . . . . . . . . A . 16 CYS SG . . . . . . . . . c19501_2mdq 1 . 20 . 4218 . 1 1 17 NH2 HN1 H 3.339 1.099 3.235 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 HN1 . . . . . . . . . c19501_2mdq 1 . 20 . 4219 . 1 1 17 NH2 HN2 H 4.565 0.721 4.391 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 HN2 . . . . . . . . . c19501_2mdq 1 . 20 . 4220 . 1 1 17 NH2 N N 4.037 1.362 3.869 . . . 1.0 . . . . . . . . . . . . A . 17 NH2 N . . . . . . . . . c19501_2mdq 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 c19501_2mdq _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 2mdq.mr . . 'MR format' 1 comment 'Not applicable' 'Not applicable' 0 c19501_2mdq 1 1 2mdq.mr . . DYANA/DIANA 2 distance NOE simple 0 c19501_2mdq 1 1 2mdq.mr . . XPLOR/CNS 3 distance NOE simple 117 c19501_2mdq 1 1 2mdq.mr . . 'MR format' 4 'nomenclature mapping' 'Not applicable' 'Not applicable' 0 c19501_2mdq 1 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_3 _Gen_dist_constraint_list.Entry_ID c19501_2mdq _Gen_dist_constraint_list.ID 1 _Gen_dist_constraint_list.Constraint_type NOE _Gen_dist_constraint_list.Details 'Generated by Wattos' _Gen_dist_constraint_list.Constraint_file_ID 1 _Gen_dist_constraint_list.Block_ID 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 . . . . c19501_2mdq 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 14 14 GLU H H . . . 1 1 14 14 GLU HB2 H . . . . . 2.580 1.8 3.36 . . . . . A . 14 GLU H . . A . 14 GLU HB2 . . . 14 . HN . . . . . 14 . HB2 . . c19501_2mdq 1 2 1 . . 1 1 14 14 GLU H H . . . 1 1 14 14 GLU HB3 H . . . . . 2.455 1.8 3.11 . . . . . A . 14 GLU H . . A . 14 GLU HB3 . . . 14 . HN . . . . . 14 . HB1 . . c19501_2mdq 1 3 1 . . 1 1 2 2 CYS H H . . . 1 1 2 2 CYS HB3 H . . . . . 2.710 2.1 3.32 . . . . . A . 2 CYS H . . A . 2 CYS HB3 . . . 2 . HN . . . . . 2 . HB1 . . c19501_2mdq 1 4 1 . . 1 1 2 2 CYS H H . . . 1 1 2 2 CYS HB2 H . . . . . 2.520 1.8 3.24 . . . . . A . 2 CYS H . . A . 2 CYS HB2 . . . 2 . HN . . . . . 2 . HB2 . . c19501_2mdq 1 5 1 . . 1 1 3 3 CYS H H . . . 1 1 3 3 CYS HB2 H . . . . . 2.285 1.8 2.77 . . . . . A . 3 CYS H . . A . 3 CYS HB2 . . . 3 . HN . . . . . 3 . HB2 . . c19501_2mdq 1 6 1 . . 1 1 3 3 CYS H H . . . 1 1 3 3 CYS HB3 H . . . . . 2.610 1.8 3.42 . . . . . A . 3 CYS H . . A . 3 CYS HB3 . . . 3 . HN . . . . . 3 . HB1 . . c19501_2mdq 1 7 1 . . 1 1 9 9 ASN H H . . . 1 1 9 9 ASN HB2 H . . . . . 2.255 1.8 2.71 . . . . . A . 9 ASN H . . A . 9 ASN HB2 . . . 9 . HN . . . . . 9 . HB2 . . c19501_2mdq 1 8 1 . . 1 1 9 9 ASN H H . . . 1 1 9 9 ASN HB3 H . . . . . 2.300 1.8 2.80 . . . . . A . 9 ASN H . . A . 9 ASN HB3 . . . 9 . HN . . . . . 9 . HB1 . . c19501_2mdq 1 9 1 . . 1 1 9 9 ASN H H . . . 1 1 9 9 ASN HA H . . . . . 2.400 1.8 3.00 . . . . . A . 9 ASN H . . A . 9 ASN HA . . . 9 . HN . . . . . 9 . HA . . c19501_2mdq 1 10 1 . . 1 1 15 15 ILE H H . . . 1 1 15 15 ILE HB H . . . . . 2.955 1.8 4.11 . . . . . A . 15 ILE H . . A . 15 ILE HB . . . 15 . HN . . . . . 15 . HB . . c19501_2mdq 1 11 1 . . 1 1 10 10 VAL H H . . . 1 1 10 10 VAL HB H . . . . . 2.380 1.8 2.96 . . . . . A . 10 VAL H . . A . 10 VAL HB . . . 10 . HN . . . . . 10 . HB . . c19501_2mdq 1 12 1 . . 1 1 12 12 HIS H H . . . 1 1 12 12 HIS HB2 H . . . . . 2.535 1.8 3.27 . . . . . A . 12 HIS H . . A . 12 HIS HB2 . . . 12 . HN . . . . . 12 . HB2 . . c19501_2mdq 1 13 1 . . 1 1 12 12 HIS H H . . . 1 1 12 12 HIS HB3 H . . . . . 2.610 1.8 3.42 . . . . . A . 12 HIS H . . A . 12 HIS HB3 . . . 12 . HN . . . . . 12 . HB1 . . c19501_2mdq 1 14 1 OR . 1 1 5 5 HIS H H . . . 1 1 5 5 HIS HB2 H . . . . . 2.910 1.8 4.02 . . . . . A . 5 HIS H . . A . 5 HIS HB2 . . . 5 . HN . . . . . 5 . HB# . . c19501_2mdq 1 14 2 OR . 1 1 5 5 HIS H H . . . 1 1 5 5 HIS HB3 H . . . . . 2.910 1.8 4.02 . . . . . A . 5 HIS H . . A . 5 HIS HB3 . . . 5 . HN . . . . . 5 . HB# . . c19501_2mdq 1 15 1 . . 1 1 16 16 CYS H H . . . 1 1 16 16 CYS HB3 H . . . . . 2.705 1.8 3.61 . . . . . A . 16 CYS H . . A . 16 CYS HB3 . . . 16 . HN . . . . . 16 . HB1 . . c19501_2mdq 1 16 1 . . 1 1 16 16 CYS H H . . . 1 1 16 16 CYS HB2 H . . . . . 2.300 1.8 2.80 . . . . . A . 16 CYS H . . A . 16 CYS HB2 . . . 16 . HN . . . . . 16 . HB2 . . c19501_2mdq 1 17 1 . . 1 1 3 3 CYS H H . . . 1 1 2 2 CYS HA H . . . . . 2.550 1.8 3.30 . . . . . A . 3 CYS H . . A . 2 CYS HA . . . 3 . HN . . . . . 2 . HA . . c19501_2mdq 1 18 1 . . 1 1 2 2 CYS HB3 H . . . 1 1 3 3 CYS H H . . . . . 2.705 1.8 3.61 . . . . . A . 2 CYS HB3 . . A . 3 CYS H . . . 2 . HB1 . . . . . 3 . HN . . c19501_2mdq 1 19 1 . . 1 1 2 2 CYS HB2 H . . . 1 1 3 3 CYS H H . . . . . 2.470 1.8 3.14 . . . . . A . 2 CYS HB2 . . A . 3 CYS H . . . 2 . HB2 . . . . . 3 . HN . . c19501_2mdq 1 20 1 . . 1 1 14 14 GLU H H . . . 1 1 15 15 ILE H H . . . . . 2.625 1.8 3.45 . . . . . A . 14 GLU H . . A . 15 ILE H . . . 14 . HN . . . . . 15 . HN . . c19501_2mdq 1 21 1 . . 1 1 16 16 CYS H H . . . 1 1 15 15 ILE HA H . . . . . 2.610 1.8 3.42 . . . . . A . 16 CYS H . . A . 15 ILE HA . . . 16 . HN . . . . . 15 . HA . . c19501_2mdq 1 22 1 . . 1 1 15 15 ILE HB H . . . 1 1 16 16 CYS H H . . . . . 2.470 1.8 3.14 . . . . . A . 15 ILE HB . . A . 16 CYS H . . . 15 . HB . . . . . 16 . HN . . c19501_2mdq 1 23 1 . . 1 1 14 14 GLU H H . . . 1 1 13 13 PRO HA H . . . . . 2.550 1.8 3.30 . . . . . A . 14 GLU H . . A . 13 PRO HA . . . 14 . HN . . . . . 13 . HA . . c19501_2mdq 1 24 1 OR . 1 1 14 14 GLU H H . . . 1 1 13 13 PRO HB2 H . . . . . 3.210 1.8 4.62 . . . . . A . 14 GLU H . . A . 13 PRO HB2 . . . 14 . HN . . . . . 13 . HB# . . c19501_2mdq 1 24 2 OR . 1 1 14 14 GLU H H . . . 1 1 13 13 PRO HB3 H . . . . . 3.210 1.8 4.62 . . . . . A . 14 GLU H . . A . 13 PRO HB3 . . . 14 . HN . . . . . 13 . HB# . . c19501_2mdq 1 25 1 . . 1 1 14 14 GLU H H . . . 1 1 12 12 HIS HA H . . . . . 3.465 1.8 5.13 . . . . . A . 14 GLU H . . A . 12 HIS HA . . . 14 . HN . . . . . 12 . HA . . c19501_2mdq 1 26 1 . . 1 1 15 15 ILE H H . . . 1 1 16 16 CYS H H . . . . . 2.180 1.8 2.56 . . . . . A . 15 ILE H . . A . 16 CYS H . . . 15 . HN . . . . . 16 . HN . . c19501_2mdq 1 27 1 . . 1 1 9 9 ASN HB3 H . . . 1 1 10 10 VAL H H . . . . . 2.315 1.8 2.83 . . . . . A . 9 ASN HB3 . . A . 10 VAL H . . . 9 . HB1 . . . . . 10 . HN . . c19501_2mdq 1 28 1 . . 1 1 9 9 ASN HB2 H . . . 1 1 10 10 VAL H H . . . . . 2.625 1.8 3.45 . . . . . A . 9 ASN HB2 . . A . 10 VAL H . . . 9 . HB2 . . . . . 10 . HN . . c19501_2mdq 1 29 1 . . 1 1 9 9 ASN HA H . . . 1 1 10 10 VAL H H . . . . . 2.610 1.8 3.42 . . . . . A . 9 ASN HA . . A . 10 VAL H . . . 9 . HA . . . . . 10 . HN . . c19501_2mdq 1 30 1 . . 1 1 7 7 ALA H H . . . 1 1 8 8 CYS H H . . . . . 2.485 1.8 3.17 . . . . . A . 7 ALA H . . A . 8 CYS H . . . 7 . HN . . . . . 8 . HN . . c19501_2mdq 1 31 1 OR . 1 1 9 9 ASN H H . . . 1 1 8 8 CYS HB2 H . . . . . 3.395 1.8 4.99 . . . . . A . 9 ASN H . . A . 8 CYS HB2 . . . 9 . HN . . . . . 8 . HB# . . c19501_2mdq 1 31 2 OR . 1 1 9 9 ASN H H . . . 1 1 8 8 CYS HB3 H . . . . . 3.395 1.8 4.99 . . . . . A . 9 ASN H . . A . 8 CYS HB3 . . . 9 . HN . . . . . 8 . HB# . . c19501_2mdq 1 32 1 . . 1 1 9 9 ASN H H . . . 1 1 8 8 CYS H H . . . . . 2.270 1.8 2.74 . . . . . A . 9 ASN H . . A . 8 CYS H . . . 9 . HN . . . . . 8 . HN . . c19501_2mdq 1 33 1 . . 1 1 2 2 CYS H H . . . 1 1 3 3 CYS H H . . . . . 2.780 1.8 3.76 . . . . . A . 2 CYS H . . A . 3 CYS H . . . 2 . HN . . . . . 3 . HN . . c19501_2mdq 1 34 1 . . 1 1 12 12 HIS HB2 H . . . 1 1 12 12 HIS HA H . . . . . 2.335 1.8 2.87 . . . . . A . 12 HIS HB2 . . A . 12 HIS HA . . . 12 . HB2 . . . . . 12 . HA . . c19501_2mdq 1 35 1 . . 1 1 16 16 CYS HB2 H . . . 1 1 16 16 CYS HA H . . . . . 2.300 1.8 2.80 . . . . . A . 16 CYS HB2 . . A . 16 CYS HA . . . 16 . HB2 . . . . . 16 . HA . . c19501_2mdq 1 36 1 OR . 1 1 3 3 CYS HA H . . . 1 1 4 4 SER HB2 H . . . . . 3.735 1.8 5.67 . . . . . A . 3 CYS HA . . A . 4 SER HB2 . . . 3 . HA . . . . . 4 . HB# . . c19501_2mdq 1 36 2 OR . 1 1 3 3 CYS HA H . . . 1 1 4 4 SER HB3 H . . . . . 3.735 1.8 5.67 . . . . . A . 3 CYS HA . . A . 4 SER HB3 . . . 3 . HA . . . . . 4 . HB# . . c19501_2mdq 1 37 1 . . 1 1 14 14 GLU HB3 H . . . 1 1 14 14 GLU HA H . . . . . 2.315 1.8 2.83 . . . . . A . 14 GLU HB3 . . A . 14 GLU HA . . . 14 . HB1 . . . . . 14 . HA . . c19501_2mdq 1 38 1 . . 1 1 14 14 GLU HB2 H . . . 1 1 14 14 GLU HA H . . . . . 2.395 1.8 2.99 . . . . . A . 14 GLU HB2 . . A . 14 GLU HA . . . 14 . HB2 . . . . . 14 . HA . . c19501_2mdq 1 39 1 . . 1 1 2 2 CYS HB3 H . . . 1 1 2 2 CYS HA H . . . . . 2.335 1.8 2.87 . . . . . A . 2 CYS HB3 . . A . 2 CYS HA . . . 2 . HB1 . . . . . 2 . HA . . c19501_2mdq 1 40 1 . . 1 1 2 2 CYS HB2 H . . . 1 1 2 2 CYS HA H . . . . . 2.255 1.8 2.71 . . . . . A . 2 CYS HB2 . . A . 2 CYS HA . . . 2 . HB2 . . . . . 2 . HA . . c19501_2mdq 1 41 1 . . 1 1 3 3 CYS HB2 H . . . 1 1 3 3 CYS HA H . . . . . 2.410 1.8 3.02 . . . . . A . 3 CYS HB2 . . A . 3 CYS HA . . . 3 . HB2 . . . . . 3 . HA . . c19501_2mdq 1 42 1 . . 1 1 9 9 ASN HB3 H . . . 1 1 9 9 ASN HA H . . . . . 2.335 1.8 2.87 . . . . . A . 9 ASN HB3 . . A . 9 ASN HA . . . 9 . HB1 . . . . . 9 . HA . . c19501_2mdq 1 43 1 . . 1 1 10 10 VAL HB H . . . 1 1 10 10 VAL HA H . . . . . 2.365 1.8 2.93 . . . . . A . 10 VAL HB . . A . 10 VAL HA . . . 10 . HB . . . . . 10 . HA . . c19501_2mdq 1 44 1 . . 1 1 7 7 ALA H H . . . 1 1 6 6 PRO HA H . . . . . 2.675 1.8 3.55 . . . . . A . 7 ALA H . . A . 6 PRO HA . . . 7 . HN . . . . . 6 . HA . . c19501_2mdq 1 45 1 OR . 1 1 7 7 ALA H H . . . 1 1 6 6 PRO HB2 H . . . . . 3.100 1.8 4.40 . . . . . A . 7 ALA H . . A . 6 PRO HB2 . . . 7 . HN . . . . . 6 . HB# . . c19501_2mdq 1 45 2 OR . 1 1 7 7 ALA H H . . . 1 1 6 6 PRO HB3 H . . . . . 3.100 1.8 4.40 . . . . . A . 7 ALA H . . A . 6 PRO HB3 . . . 7 . HN . . . . . 6 . HB# . . c19501_2mdq 1 46 1 . . 1 1 9 9 ASN HB3 H . . . 1 1 6 6 PRO HA H . . . . . 2.610 1.8 3.42 . . . . . A . 9 ASN HB3 . . A . 6 PRO HA . . . 9 . HB1 . . . . . 6 . HA . . c19501_2mdq 1 47 1 . . 1 1 9 9 ASN HB2 H . . . 1 1 6 6 PRO HA H . . . . . 2.440 1.8 3.08 . . . . . A . 9 ASN HB2 . . A . 6 PRO HA . . . 9 . HB2 . . . . . 6 . HA . . c19501_2mdq 1 48 1 OR . 1 1 5 5 HIS HA H . . . 1 1 6 6 PRO HB2 H . . . . . 4.090 1.8 6.38 . . . . . A . 5 HIS HA . . A . 6 PRO HB2 . . . 5 . HA . . . . . 6 . HB# . . c19501_2mdq 1 48 2 OR . 1 1 6 6 PRO HB3 H . . . 1 1 5 5 HIS HA H . . . . . 4.090 1.8 6.38 . . . . . A . 6 PRO HB3 . . A . 5 HIS HA . . . 6 . HB# . . . . . 5 . HA . . c19501_2mdq 1 49 1 OR . 1 1 7 7 ALA H H . . . 1 1 5 5 HIS HB2 H . . . . . 3.440 1.8 5.08 . . . . . A . 7 ALA H . . A . 5 HIS HB2 . . . 7 . HN . . . . . 5 . HB# . . c19501_2mdq 1 49 2 OR . 1 1 5 5 HIS HB3 H . . . 1 1 7 7 ALA H H . . . . . 3.440 1.8 5.08 . . . . . A . 5 HIS HB3 . . A . 7 ALA H . . . 5 . HB# . . . . . 7 . HN . . c19501_2mdq 1 50 1 OR . 1 1 4 4 SER H H . . . 1 1 4 4 SER HB2 H . . . . . 2.990 1.8 4.18 . . . . . A . 4 SER H . . A . 4 SER HB2 . . . 4 . HN . . . . . 4 . HB# . . c19501_2mdq 1 50 2 OR . 1 1 4 4 SER HB3 H . . . 1 1 4 4 SER H H . . . . . 2.990 1.8 4.18 . . . . . A . 4 SER HB3 . . A . 4 SER H . . . 4 . HB# . . . . . 4 . HN . . c19501_2mdq 1 51 1 . . 1 1 5 5 HIS H H . . . 1 1 3 3 CYS HA H . . . . . 3.000 1.8 4.20 . . . . . A . 5 HIS H . . A . 3 CYS HA . . . 5 . HN . . . . . 3 . HA . . c19501_2mdq 1 52 1 OR . 1 1 5 5 HIS H H . . . 1 1 4 4 SER HB2 H . . . . . 3.830 1.8 5.86 . . . . . A . 5 HIS H . . A . 4 SER HB2 . . . 5 . HN . . . . . 4 . HB# . . c19501_2mdq 1 52 2 OR . 1 1 5 5 HIS H H . . . 1 1 4 4 SER HB3 H . . . . . 3.830 1.8 5.86 . . . . . A . 5 HIS H . . A . 4 SER HB3 . . . 5 . HN . . . . . 4 . HB# . . c19501_2mdq 1 53 1 . . 1 1 3 3 CYS HA H . . . 1 1 4 4 SER H H . . . . . 2.550 1.8 3.30 . . . . . A . 3 CYS HA . . A . 4 SER H . . . 3 . HA . . . . . 4 . HN . . c19501_2mdq 1 54 1 . . 1 1 3 3 CYS HB2 H . . . 1 1 4 4 SER H H . . . . . 2.520 1.8 3.24 . . . . . A . 3 CYS HB2 . . A . 4 SER H . . . 3 . HB2 . . . . . 4 . HN . . c19501_2mdq 1 55 1 . . 1 1 3 3 CYS HB3 H . . . 1 1 4 4 SER H H . . . . . 2.565 1.8 3.33 . . . . . A . 3 CYS HB3 . . A . 4 SER H . . . 3 . HB1 . . . . . 4 . HN . . c19501_2mdq 1 56 1 . . 1 1 5 5 HIS H H . . . 1 1 4 4 SER H H . . . . . 2.240 1.8 2.68 . . . . . A . 5 HIS H . . A . 4 SER H . . . 5 . HN . . . . . 4 . HN . . c19501_2mdq 1 57 1 . . 1 1 3 3 CYS H H . . . 1 1 4 4 SER H H . . . . . 2.395 1.8 2.99 . . . . . A . 3 CYS H . . A . 4 SER H . . . 3 . HN . . . . . 4 . HN . . c19501_2mdq 1 58 1 OR . 1 1 3 3 CYS H H . . . 1 1 1 1 GLY HA2 H . . . . . 3.670 1.8 5.54 . . . . . A . 3 CYS H . . A . 1 GLY HA2 . . . 3 . HN . . . . . 1 . HA# . . c19501_2mdq 1 58 2 OR . 1 1 3 3 CYS H H . . . 1 1 1 1 GLY HA3 H . . . . . 3.670 1.8 5.54 . . . . . A . 3 CYS H . . A . 1 GLY HA3 . . . 3 . HN . . . . . 1 . HA# . . c19501_2mdq 1 59 1 OR . 1 1 8 8 CYS H H . . . 1 1 5 5 HIS HB2 H . . . . . 3.220 1.8 4.64 . . . . . A . 8 CYS H . . A . 5 HIS HB2 . . . 8 . HN . . . . . 5 . HB# . . c19501_2mdq 1 59 2 OR . 1 1 5 5 HIS HB3 H . . . 1 1 8 8 CYS H H . . . . . 3.220 1.8 4.64 . . . . . A . 5 HIS HB3 . . A . 8 CYS H . . . 5 . HB# . . . . . 8 . HN . . c19501_2mdq 1 60 1 . . 1 1 10 10 VAL H H . . . 1 1 7 7 ALA HA H . . . . . 3.075 1.8 4.35 . . . . . A . 10 VAL H . . A . 7 ALA HA . . . 10 . HN . . . . . 7 . HA . . c19501_2mdq 1 61 1 . . 1 1 5 5 HIS HA H . . . 1 1 4 4 SER HA H . . . . . 3.605 1.8 5.41 . . . . . A . 5 HIS HA . . A . 4 SER HA . . . 5 . HA . . . . . 4 . HA . . c19501_2mdq 1 62 1 OR . 1 1 2 2 CYS HA H . . . 1 1 5 5 HIS HB2 H . . . . . 3.485 1.8 5.17 . . . . . A . 2 CYS HA . . A . 5 HIS HB2 . . . 2 . HA . . . . . 5 . HB# . . c19501_2mdq 1 62 2 OR . 1 1 5 5 HIS HB3 H . . . 1 1 2 2 CYS HA H . . . . . 3.485 1.8 5.17 . . . . . A . 5 HIS HB3 . . A . 2 CYS HA . . . 5 . HB# . . . . . 2 . HA . . c19501_2mdq 1 63 1 OR . 1 1 3 3 CYS HA H . . . 1 1 5 5 HIS HB2 H . . . . . 3.150 1.8 4.50 . . . . . A . 3 CYS HA . . A . 5 HIS HB2 . . . 3 . HA . . . . . 5 . HB# . . c19501_2mdq 1 63 2 OR . 1 1 5 5 HIS HB3 H . . . 1 1 3 3 CYS HA H . . . . . 3.150 1.8 4.50 . . . . . A . 5 HIS HB3 . . A . 3 CYS HA . . . 5 . HB# . . . . . 3 . HA . . c19501_2mdq 1 64 1 . . 1 1 12 12 HIS H H . . . 1 1 11 11 ASP HA H . . . . . 2.470 1.8 3.14 . . . . . A . 12 HIS H . . A . 11 ASP HA . . . 12 . HN . . . . . 11 . HA . . c19501_2mdq 1 65 1 . . 1 1 11 11 ASP HA H . . . 1 1 11 11 ASP HB3 H . . . . . 2.380 1.8 2.96 . . . . . A . 11 ASP HA . . A . 11 ASP HB3 . . . 11 . HA . . . . . 11 . HB1 . . c19501_2mdq 1 66 1 . . 1 1 11 11 ASP HA H . . . 1 1 11 11 ASP HB2 H . . . . . 2.350 1.8 2.90 . . . . . A . 11 ASP HA . . A . 11 ASP HB2 . . . 11 . HA . . . . . 11 . HB2 . . c19501_2mdq 1 67 1 . . 1 1 14 14 GLU H H . . . 1 1 14 14 GLU HG3 H . . . . . 3.650 1.8 5.50 . . . . . A . 14 GLU H . . A . 14 GLU HG3 . . . 14 . HN . . . . . 14 . HG1 . . c19501_2mdq 1 68 1 . . 1 1 14 14 GLU H H . . . 1 1 14 14 GLU HG2 H . . . . . 3.650 1.8 5.50 . . . . . A . 14 GLU H . . A . 14 GLU HG2 . . . 14 . HN . . . . . 14 . HG2 . . c19501_2mdq 1 69 1 . . 1 1 16 16 CYS H H . . . 1 1 15 15 ILE HG13 H . . . . . 3.650 1.8 5.50 . . . . . A . 16 CYS H . . A . 15 ILE HG13 . . . 16 . HN . . . . . 15 . HG11 . . c19501_2mdq 1 70 1 . . 1 1 16 16 CYS H H . . . 1 1 15 15 ILE HG12 H . . . . . 3.650 1.8 5.50 . . . . . A . 16 CYS H . . A . 15 ILE HG12 . . . 16 . HN . . . . . 15 . HG12 . . c19501_2mdq 1 71 1 . . 1 1 7 7 ALA H H . . . 1 1 6 6 PRO HG3 H . . . . . 3.650 1.8 5.50 . . . . . A . 7 ALA H . . A . 6 PRO HG3 . . . 7 . HN . . . . . 6 . HG1 . . c19501_2mdq 1 72 1 . . 1 1 7 7 ALA H H . . . 1 1 6 6 PRO HG2 H . . . . . 3.650 1.8 5.50 . . . . . A . 7 ALA H . . A . 6 PRO HG2 . . . 7 . HN . . . . . 6 . HG2 . . c19501_2mdq 1 73 1 . . 1 1 5 5 HIS HA H . . . 1 1 6 6 PRO HD2 H . . . . . 2.315 1.8 2.83 . . . . . A . 5 HIS HA . . A . 6 PRO HD2 . . . 5 . HA . . . . . 6 . HD2 . . c19501_2mdq 1 74 1 . . 1 1 5 5 HIS HA H . . . 1 1 6 6 PRO HD3 H . . . . . 2.315 1.8 2.83 . . . . . A . 5 HIS HA . . A . 6 PRO HD3 . . . 5 . HA . . . . . 6 . HD1 . . c19501_2mdq 1 75 1 . . 1 1 12 12 HIS HA H . . . 1 1 13 13 PRO HD2 H . . . . . 2.660 1.8 3.52 . . . . . A . 12 HIS HA . . A . 13 PRO HD2 . . . 12 . HA . . . . . 13 . HD2 . . c19501_2mdq 1 76 1 . . 1 1 12 12 HIS HA H . . . 1 1 13 13 PRO HD3 H . . . . . 2.660 1.8 3.52 . . . . . A . 12 HIS HA . . A . 13 PRO HD3 . . . 12 . HA . . . . . 13 . HD1 . . c19501_2mdq 1 77 1 . . 1 1 15 15 ILE HB H . . . 1 1 12 12 HIS HB2 H . . . . . 2.935 1.8 4.07 . . . . . A . 15 ILE HB . . A . 12 HIS HB2 . . . 15 . HB . . . . . 12 . HB2 . . c19501_2mdq 1 78 1 . . 1 1 15 15 ILE HB H . . . 1 1 12 12 HIS HB3 H . . . . . 3.650 1.8 5.50 . . . . . A . 15 ILE HB . . A . 12 HIS HB3 . . . 15 . HB . . . . . 12 . HB1 . . c19501_2mdq 1 79 1 . . 1 1 5 5 HIS HA H . . . 1 1 6 6 PRO HG2 H . . . . . 3.650 1.8 5.50 . . . . . A . 5 HIS HA . . A . 6 PRO HG2 . . . 5 . HA . . . . . 6 . HG2 . . c19501_2mdq 1 80 1 . . 1 1 9 9 ASN HB2 H . . . 1 1 3 3 CYS HA H . . . . . 3.340 1.8 4.88 . . . . . A . 9 ASN HB2 . . A . 3 CYS HA . . . 9 . HB2 . . . . . 3 . HA . . c19501_2mdq 1 81 1 . . 1 1 9 9 ASN HA H . . . 1 1 12 12 HIS CD2 C . . . . . 3.280 1.8 4.76 . . . . . A . 9 ASN HA . . A . 12 HIS CD2 . . . 9 . HA . . . . . 12 . CD2 . . c19501_2mdq 1 82 1 OR . 1 1 5 5 HIS CD2 C . . . 1 1 4 4 SER HB2 H . . . . . 4.090 1.8 6.38 . . . . . A . 5 HIS CD2 . . A . 4 SER HB2 . . . 5 . CD2 . . . . . 4 . HB# . . c19501_2mdq 1 82 2 OR . 1 1 4 4 SER HB3 H . . . 1 1 5 5 HIS CD2 C . . . . . 4.090 1.8 6.38 . . . . . A . 4 SER HB3 . . A . 5 HIS CD2 . . . 4 . HB# . . . . . 5 . CD2 . . c19501_2mdq 1 83 1 . . 1 1 2 2 CYS HA H . . . 1 1 5 5 HIS CD2 C . . . . . 3.185 1.8 4.57 . . . . . A . 2 CYS HA . . A . 5 HIS CD2 . . . 2 . HA . . . . . 5 . CD2 . . c19501_2mdq 1 84 1 . . 1 1 9 9 ASN HB3 H . . . 1 1 3 3 CYS HA H . . . . . 3.325 1.8 4.85 . . . . . A . 9 ASN HB3 . . A . 3 CYS HA . . . 9 . HB1 . . . . . 3 . HA . . c19501_2mdq 1 85 1 . . 1 1 5 5 HIS HA H . . . 1 1 6 6 PRO HG3 H . . . . . 3.650 1.8 5.50 . . . . . A . 5 HIS HA . . A . 6 PRO HG3 . . . 5 . HA . . . . . 6 . HG1 . . c19501_2mdq 1 86 1 . . 1 1 11 11 ASP HA H . . . 1 1 13 13 PRO HD3 H . . . . . 3.650 1.8 5.50 . . . . . A . 11 ASP HA . . A . 13 PRO HD3 . . . 11 . HA . . . . . 13 . HD1 . . c19501_2mdq 1 87 1 . . 1 1 11 11 ASP HA H . . . 1 1 13 13 PRO HD2 H . . . . . 3.650 1.8 5.50 . . . . . A . 11 ASP HA . . A . 13 PRO HD2 . . . 11 . HA . . . . . 13 . HD2 . . c19501_2mdq 1 88 1 . . 1 1 7 7 ALA H H . . . 1 1 7 7 ALA MB H . . . . . 2.995 1.8 4.19 . . . . . A . 7 ALA H . . A . 7 ALA MB . . . 7 . HN . . . . . 7 . HB# . . c19501_2mdq 1 89 1 . . 1 1 15 15 ILE H H . . . 1 1 15 15 ILE MG H . . . . . 4.160 1.8 6.52 . . . . . A . 15 ILE H . . A . 15 ILE MG . . . 15 . HN . . . . . 15 . HG2# . . c19501_2mdq 1 90 1 OR . 1 1 10 10 VAL H H . . . 1 1 10 10 VAL MG1 H . . . . . 3.785 1.8 5.77 . . . . . A . 10 VAL H . . A . 10 VAL MG1 . . . 10 . HN . . . . . 10 . HG* . . c19501_2mdq 1 90 2 OR . 1 1 10 10 VAL H H . . . 1 1 10 10 VAL MG2 H . . . . . 3.785 1.8 5.77 . . . . . A . 10 VAL H . . A . 10 VAL MG2 . . . 10 . HN . . . . . 10 . HG* . . c19501_2mdq 1 91 1 . . 1 1 16 16 CYS H H . . . 1 1 15 15 ILE MG H . . . . . 3.755 1.8 5.71 . . . . . A . 16 CYS H . . A . 15 ILE MG . . . 16 . HN . . . . . 15 . HG2# . . c19501_2mdq 1 92 1 . . 1 1 8 8 CYS H H . . . 1 1 7 7 ALA MB H . . . . . 3.570 1.8 5.34 . . . . . A . 8 CYS H . . A . 7 ALA MB . . . 8 . HN . . . . . 7 . HB# . . c19501_2mdq 1 93 1 . . 1 1 7 7 ALA MB H . . . 1 1 8 8 CYS HA H . . . . . 4.160 1.8 6.52 . . . . . A . 7 ALA MB . . A . 8 CYS HA . . . 7 . HB# . . . . . 8 . HA . . c19501_2mdq 1 94 1 . . 1 1 6 6 PRO HA H . . . 1 1 7 7 ALA MB H . . . . . 4.160 1.8 6.52 . . . . . A . 6 PRO HA . . A . 7 ALA MB . . . 6 . HA . . . . . 7 . HB# . . c19501_2mdq 1 95 1 . . 1 1 15 15 ILE HA H . . . 1 1 15 15 ILE MD H . . . . . 4.035 1.8 6.27 . . . . . A . 15 ILE HA . . A . 15 ILE MD . . . 15 . HA . . . . . 15 . HD1# . . c19501_2mdq 1 96 1 . . 1 1 12 12 HIS HB2 H . . . 1 1 15 15 ILE MD H . . . . . 3.620 1.8 5.44 . . . . . A . 12 HIS HB2 . . A . 15 ILE MD . . . 12 . HB2 . . . . . 15 . HD1# . . c19501_2mdq 1 97 1 . . 1 1 12 12 HIS HB3 H . . . 1 1 15 15 ILE MD H . . . . . 4.160 1.8 6.52 . . . . . A . 12 HIS HB3 . . A . 15 ILE MD . . . 12 . HB1 . . . . . 15 . HD1# . . c19501_2mdq 1 98 1 OR . 1 1 7 7 ALA HA H . . . 1 1 10 10 VAL MG1 H . . . . . 4.485 1.8 7.17 . . . . . A . 7 ALA HA . . A . 10 VAL MG1 . . . 7 . HA . . . . . 10 . HG* . . c19501_2mdq 1 98 2 OR . 1 1 7 7 ALA HA H . . . 1 1 10 10 VAL MG2 H . . . . . 4.485 1.8 7.17 . . . . . A . 7 ALA HA . . A . 10 VAL MG2 . . . 7 . HA . . . . . 10 . HG* . . c19501_2mdq 1 99 1 OR . 1 1 3 3 CYS HA H . . . 1 1 9 9 ASN HD22 H . . . . . 3.570 1.8 5.34 . . . . . A . 3 CYS HA . . A . 9 ASN HD22 . . . 3 . HA . . . . . 9 . HD2# . . c19501_2mdq 1 99 2 OR . 1 1 3 3 CYS HA H . . . 1 1 9 9 ASN HD21 H . . . . . 3.570 1.8 5.34 . . . . . A . 3 CYS HA . . A . 9 ASN HD21 . . . 3 . HA . . . . . 9 . HD2# . . c19501_2mdq 1 100 1 OR . 1 1 5 5 HIS HA H . . . 1 1 6 6 PRO HD2 H . . . . . 2.070 1.8 2.34 . . . . . A . 5 HIS HA . . A . 6 PRO HD2 . . . 5 . HA . . . . . 6 . HD# . . c19501_2mdq 1 100 2 OR . 1 1 5 5 HIS HA H . . . 1 1 6 6 PRO HD3 H . . . . . 2.070 1.8 2.34 . . . . . A . 5 HIS HA . . A . 6 PRO HD3 . . . 5 . HA . . . . . 6 . HD# . . c19501_2mdq 1 101 1 OR . 1 1 7 7 ALA H H . . . 1 1 6 6 PRO HD2 H . . . . . 3.125 1.8 4.45 . . . . . A . 7 ALA H . . A . 6 PRO HD2 . . . 7 . HN . . . . . 6 . HD# . . c19501_2mdq 1 101 2 OR . 1 1 7 7 ALA H H . . . 1 1 6 6 PRO HD3 H . . . . . 3.125 1.8 4.45 . . . . . A . 7 ALA H . . A . 6 PRO HD3 . . . 7 . HN . . . . . 6 . HD# . . c19501_2mdq 1 102 1 OR . 1 1 7 7 ALA MB H . . . 1 1 6 6 PRO HD2 H . . . . . 4.045 1.8 6.29 . . . . . A . 7 ALA MB . . A . 6 PRO HD2 . . . 7 . HB# . . . . . 6 . HD# . . c19501_2mdq 1 102 2 OR . 1 1 7 7 ALA MB H . . . 1 1 6 6 PRO HD3 H . . . . . 4.045 1.8 6.29 . . . . . A . 7 ALA MB . . A . 6 PRO HD3 . . . 7 . HB# . . . . . 6 . HD# . . c19501_2mdq 1 103 1 OR . 1 1 8 8 CYS HB3 H . . . 1 1 9 9 ASN HD22 H . . . . . 3.575 1.8 5.35 . . . . . A . 8 CYS HB3 . . A . 9 ASN HD22 . . . 8 . HB# . . . . . 9 . HD2# . . c19501_2mdq 1 103 2 OR . 1 1 9 9 ASN HD21 H . . . 1 1 8 8 CYS HB2 H . . . . . 3.575 1.8 5.35 . . . . . A . 9 ASN HD21 . . A . 8 CYS HB2 . . . 9 . HD2# . . . . . 8 . HB# . . c19501_2mdq 1 103 3 OR . 1 1 8 8 CYS HB3 H . . . 1 1 9 9 ASN HD21 H . . . . . 3.575 1.8 5.35 . . . . . A . 8 CYS HB3 . . A . 9 ASN HD21 . . . 8 . HB# . . . . . 9 . HD2# . . c19501_2mdq 1 103 4 OR . 1 1 8 8 CYS HB2 H . . . 1 1 9 9 ASN HD22 H . . . . . 3.575 1.8 5.35 . . . . . A . 8 CYS HB2 . . A . 9 ASN HD22 . . . 8 . HB# . . . . . 9 . HD2# . . c19501_2mdq 1 104 1 OR . 1 1 9 9 ASN H H . . . 1 1 9 9 ASN HD22 H . . . . . 3.570 1.8 5.34 . . . . . A . 9 ASN H . . A . 9 ASN HD22 . . . 9 . HN . . . . . 9 . HD2# . . c19501_2mdq 1 104 2 OR . 1 1 9 9 ASN H H . . . 1 1 9 9 ASN HD21 H . . . . . 3.570 1.8 5.34 . . . . . A . 9 ASN H . . A . 9 ASN HD21 . . . 9 . HN . . . . . 9 . HD2# . . c19501_2mdq 1 105 1 OR . 1 1 9 9 ASN HA H . . . 1 1 9 9 ASN HD22 H . . . . . 3.190 1.8 4.58 . . . . . A . 9 ASN HA . . A . 9 ASN HD22 . . . 9 . HA . . . . . 9 . HD2# . . c19501_2mdq 1 105 2 OR . 1 1 9 9 ASN HA H . . . 1 1 9 9 ASN HD21 H . . . . . 3.190 1.8 4.58 . . . . . A . 9 ASN HA . . A . 9 ASN HD21 . . . 9 . HA . . . . . 9 . HD2# . . c19501_2mdq 1 106 1 OR . 1 1 9 9 ASN HB2 H . . . 1 1 9 9 ASN HD22 H . . . . . 2.530 1.8 3.26 . . . . . A . 9 ASN HB2 . . A . 9 ASN HD22 . . . 9 . HB2 . . . . . 9 . HD2# . . c19501_2mdq 1 106 2 OR . 1 1 9 9 ASN HB2 H . . . 1 1 9 9 ASN HD21 H . . . . . 2.530 1.8 3.26 . . . . . A . 9 ASN HB2 . . A . 9 ASN HD21 . . . 9 . HB2 . . . . . 9 . HD2# . . c19501_2mdq 1 107 1 OR . 1 1 12 12 HIS HA H . . . 1 1 13 13 PRO HD2 H . . . . . 2.250 1.8 2.70 . . . . . A . 12 HIS HA . . A . 13 PRO HD2 . . . 12 . HA . . . . . 13 . HD# . . c19501_2mdq 1 107 2 OR . 1 1 12 12 HIS HA H . . . 1 1 13 13 PRO HD3 H . . . . . 2.250 1.8 2.70 . . . . . A . 12 HIS HA . . A . 13 PRO HD3 . . . 12 . HA . . . . . 13 . HD# . . c19501_2mdq 1 108 1 OR . 1 1 12 12 HIS HB2 H . . . 1 1 15 15 ILE HG13 H . . . . . 3.015 1.8 4.23 . . . . . A . 12 HIS HB2 . . A . 15 ILE HG13 . . . 12 . HB2 . . . . . 15 . HG1# . . c19501_2mdq 1 108 2 OR . 1 1 12 12 HIS HB2 H . . . 1 1 15 15 ILE HG12 H . . . . . 3.015 1.8 4.23 . . . . . A . 12 HIS HB2 . . A . 15 ILE HG12 . . . 12 . HB2 . . . . . 15 . HG1# . . c19501_2mdq 1 109 1 OR . 1 1 12 12 HIS HB3 H . . . 1 1 15 15 ILE HG13 H . . . . . 3.015 1.8 4.23 . . . . . A . 12 HIS HB3 . . A . 15 ILE HG13 . . . 12 . HB1 . . . . . 15 . HG1# . . c19501_2mdq 1 109 2 OR . 1 1 12 12 HIS HB3 H . . . 1 1 15 15 ILE HG12 H . . . . . 3.015 1.8 4.23 . . . . . A . 12 HIS HB3 . . A . 15 ILE HG12 . . . 12 . HB1 . . . . . 15 . HG1# . . c19501_2mdq 1 110 1 OR . 1 1 14 14 GLU H H . . . 1 1 13 13 PRO HG2 H . . . . . 3.415 1.8 5.03 . . . . . A . 14 GLU H . . A . 13 PRO HG2 . . . 14 . HN . . . . . 13 . HG# . . c19501_2mdq 1 110 2 OR . 1 1 14 14 GLU H H . . . 1 1 13 13 PRO HG3 H . . . . . 3.415 1.8 5.03 . . . . . A . 14 GLU H . . A . 13 PRO HG3 . . . 14 . HN . . . . . 13 . HG# . . c19501_2mdq 1 111 1 OR . 1 1 14 14 GLU H H . . . 1 1 13 13 PRO HD2 H . . . . . 3.235 1.8 4.67 . . . . . A . 14 GLU H . . A . 13 PRO HD2 . . . 14 . HN . . . . . 13 . HD# . . c19501_2mdq 1 111 2 OR . 1 1 14 14 GLU H H . . . 1 1 13 13 PRO HD3 H . . . . . 3.235 1.8 4.67 . . . . . A . 14 GLU H . . A . 13 PRO HD3 . . . 14 . HN . . . . . 13 . HD# . . c19501_2mdq 1 112 1 OR . 1 1 15 15 ILE H H . . . 1 1 15 15 ILE HG13 H . . . . . 3.570 1.8 5.34 . . . . . A . 15 ILE H . . A . 15 ILE HG13 . . . 15 . HN . . . . . 15 . HG1# . . c19501_2mdq 1 112 2 OR . 1 1 15 15 ILE H H . . . 1 1 15 15 ILE HG12 H . . . . . 3.570 1.8 5.34 . . . . . A . 15 ILE H . . A . 15 ILE HG12 . . . 15 . HN . . . . . 15 . HG1# . . c19501_2mdq 1 stop_ loop_ _Gen_dist_constraint_conv_err.ID _Gen_dist_constraint_conv_err.Gen_dist_constraint_parse_file_ID _Gen_dist_constraint_conv_err.Parse_file_constraint_ID _Gen_dist_constraint_conv_err.Conv_error_type _Gen_dist_constraint_conv_err.Conv_error_note _Gen_dist_constraint_conv_err.Entry_ID _Gen_dist_constraint_conv_err.Gen_dist_constraint_list_ID 1 3 71 1 "Not handling restraint 71, item 1, resonance(s) ' .16.H1' (nmrStar names) not linked" c19501_2mdq 1 2 3 82 1 "Not handling restraint 82, item 1, resonance(s) ' .16.H1' (nmrStar names) not linked" c19501_2mdq 1 3 3 83 1 "Not handling restraint 83, item 1, resonance(s) ' .16.H1' (nmrStar names) not linked" c19501_2mdq 1 4 3 85 1 "Not handling restraint 85, item 1, resonance(s) ' .16.H2' (nmrStar names) not linked" c19501_2mdq 1 5 3 86 1 "Not handling restraint 86, item 1, resonance(s) ' .16.H1' (nmrStar names) not linked" c19501_2mdq 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 c19501_2mdq _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 16-SEP-13 2MDQ *TITLE A NOVEL 4/7-CONOTOXIN LVIA FROM CONUS LIVIDUS THAT SELECTIVELY BLOCKS *TITLE 2 3 2 VS. 6/3 2 3 NICOTINIC ACETYLCHOLINE RECEPTORS *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: ALPHA-CONOTOXIN-LIKE; *COMPND 3 CHAIN: A; *COMPND 4 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 ORGANISM_SCIENTIFIC: CONUS LIVIDUS; *SOURCE 4 ORGANISM_COMMON: LIVID CONE; *SOURCE 5 ORGANISM_TAXID: 89426 *KEYWDS CONOTOXIN, DISULFIDE RICH, TOXIN, ALFA-CONOTOXINS, NICOTINIC *KEYWDS 2 ACETYLCHOLINE RECEPTOR *EXPDTA SOLUTION NMR *NUMMDL 20 *AUTHOR C.I.SCHROEDER *REVDAT 1 12-FEB-14 2MDQ 0' save_