data_c19468_2md1 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID c19468_2md1 _Entry.Title ; Fragment based approach and binding behavior of LFampinB with Lipopolysaccharide:biophysical aspects ; _Entry.Version_type original _Entry.Submission_date 2013-08-29 _Entry.Accession_date 2013-08-29 _Entry.Last_release_date 2013-09-23 _Entry.Original_release_date 2013-09-23 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.44 _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 Anirban Bhunia . . . c19468_2md1 2 Subhrangsu Chatterjee . . . c19468_2md1 3 Anirban Ghosh . . . c19468_2md1 4 Jagannath Jana . . . c19468_2md1 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' . c19468_2md1 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Peptide . c19468_2md1 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 c19468_2md1 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 100 c19468_2md1 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2013-09-23 2013-08-29 original author . c19468_2md1 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 19469 WK10_LPS c19468_2md1 BMRB 19470 KR8_LPS c19468_2md1 BMRB 19471 WG12_LPS c19468_2md1 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID c19468_2md1 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Fragment based approach and binding behavior of LFampinB with Lipopolysaccharide: biophysical aspects' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _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 . _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 Anirban Bhunia . . . c19468_2md1 1 2 Subhrangsu Chatterjee . . . c19468_2md1 1 3 Anirban Ghosh . . . c19468_2md1 1 4 Jagannath Jana . . . c19468_2md1 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID c19468_2md1 _Assembly.ID 1 _Assembly.Name WR17_LPS _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 WR17_LPS 1 $entity A . yes native no no . . . c19468_2md1 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID c19468_2md1 _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 WKLLSKAQEKFGKNKSR _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 17 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 2054.460 _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 . TRP . c19468_2md1 1 2 . LYS . c19468_2md1 1 3 . LEU . c19468_2md1 1 4 . LEU . c19468_2md1 1 5 . SER . c19468_2md1 1 6 . LYS . c19468_2md1 1 7 . ALA . c19468_2md1 1 8 . GLN . c19468_2md1 1 9 . GLU . c19468_2md1 1 10 . LYS . c19468_2md1 1 11 . PHE . c19468_2md1 1 12 . GLY . c19468_2md1 1 13 . LYS . c19468_2md1 1 14 . ASN . c19468_2md1 1 15 . LYS . c19468_2md1 1 16 . SER . c19468_2md1 1 17 . ARG . c19468_2md1 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 . TRP 1 1 c19468_2md1 1 . LYS 2 2 c19468_2md1 1 . LEU 3 3 c19468_2md1 1 . LEU 4 4 c19468_2md1 1 . SER 5 5 c19468_2md1 1 . LYS 6 6 c19468_2md1 1 . ALA 7 7 c19468_2md1 1 . GLN 8 8 c19468_2md1 1 . GLU 9 9 c19468_2md1 1 . LYS 10 10 c19468_2md1 1 . PHE 11 11 c19468_2md1 1 . GLY 12 12 c19468_2md1 1 . LYS 13 13 c19468_2md1 1 . ASN 14 14 c19468_2md1 1 . LYS 15 15 c19468_2md1 1 . SER 16 16 c19468_2md1 1 . ARG 17 17 c19468_2md1 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 c19468_2md1 _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' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . c19468_2md1 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 c19468_2md1 _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' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . c19468_2md1 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID c19468_2md1 _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 WR17_LPS 'natural abundance' . . 1 $entity . . 1.1 . . mM . . . . c19468_2md1 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . c19468_2md1 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . c19468_2md1 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID c19468_2md1 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID temperature 298 . K c19468_2md1 1 pH 4.5 . pH c19468_2md1 1 pressure 1 . atm c19468_2md1 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID c19468_2md1 _Software.ID 1 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . c19468_2md1 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' c19468_2md1 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID c19468_2md1 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID c19468_2md1 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 500 . . . c19468_2md1 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 c19468_2md1 _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.X_ray_instrument_ID _Experiment.X_ray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-1H NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . c19468_2md1 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 c19468_2md1 _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 1 _NMR_spec_expt.Software_label $CYANA _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 c19468_2md1 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.0 . . . . . . . . . c19468_2md1 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 c19468_2md1 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H NOESY' 1 $sample_1 . c19468_2md1 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 TRP HA H 1 4.652 0.004 . 1 . . . A 1 TRP HA . c19468_2md1 1 2 . 1 1 1 1 TRP HB2 H 1 3.200 0.008 . 2 . . . A 1 TRP HB2 . c19468_2md1 1 3 . 1 1 1 1 TRP HB3 H 1 3.200 0.008 . 2 . . . A 1 TRP HB3 . c19468_2md1 1 4 . 1 1 1 1 TRP H H 1 8.180 -0.035 . 1 . . . A 1 TRP H1 . c19468_2md1 1 5 . 1 1 2 2 LYS H H 1 8.307 0.007 . 1 . . . A 2 LYS H . c19468_2md1 1 6 . 1 1 2 2 LYS HA H 1 4.337 0.011 . 1 . . . A 2 LYS HA . c19468_2md1 1 7 . 1 1 2 2 LYS HB2 H 1 1.992 -0.005 . 2 . . . A 2 LYS HB2 . c19468_2md1 1 8 . 1 1 2 2 LYS HB3 H 1 1.992 -0.005 . 2 . . . A 2 LYS HB3 . c19468_2md1 1 9 . 1 1 2 2 LYS HD2 H 1 1.164 -0.002 . 2 . . . A 2 LYS HD2 . c19468_2md1 1 10 . 1 1 2 2 LYS HD3 H 1 1.164 -0.002 . 2 . . . A 2 LYS HD3 . c19468_2md1 1 11 . 1 1 3 3 LEU H H 1 8.230 0.007 . 1 . . . A 3 LEU H . c19468_2md1 1 12 . 1 1 3 3 LEU HA H 1 4.240 0.001 . 1 . . . A 3 LEU HA . c19468_2md1 1 13 . 1 1 3 3 LEU HB2 H 1 1.595 0.002 . 2 . . . A 3 LEU HB2 . c19468_2md1 1 14 . 1 1 3 3 LEU HB3 H 1 1.595 0.002 . 2 . . . A 3 LEU HB3 . c19468_2md1 1 15 . 1 1 3 3 LEU HD11 H 1 0.897 -0.919 . 1 . . . A 3 LEU HD11 . c19468_2md1 1 16 . 1 1 3 3 LEU HD12 H 1 0.897 -0.919 . 1 . . . A 3 LEU HD12 . c19468_2md1 1 17 . 1 1 3 3 LEU HD13 H 1 0.897 -0.919 . 1 . . . A 3 LEU HD13 . c19468_2md1 1 18 . 1 1 3 3 LEU HD21 H 1 0.897 -0.919 . 1 . . . A 3 LEU HD21 . c19468_2md1 1 19 . 1 1 3 3 LEU HD22 H 1 0.897 -0.919 . 1 . . . A 3 LEU HD22 . c19468_2md1 1 20 . 1 1 3 3 LEU HD23 H 1 0.897 -0.919 . 1 . . . A 3 LEU HD23 . c19468_2md1 1 21 . 1 1 4 4 LEU H H 1 8.36 0.010 . 1 . . . A 4 LEU H . c19468_2md1 1 22 . 1 1 4 4 LEU HA H 1 4.390 0.001 . 1 . . . A 4 LEU HA . c19468_2md1 1 23 . 1 1 4 4 LEU HB2 H 1 1.630 0.002 . 2 . . . A 4 LEU HB2 . c19468_2md1 1 24 . 1 1 4 4 LEU HB3 H 1 1.630 0.002 . 2 . . . A 4 LEU HB3 . c19468_2md1 1 25 . 1 1 4 4 LEU HD11 H 1 0.900 -0.006 . 1 . . . A 4 LEU HD11 . c19468_2md1 1 26 . 1 1 4 4 LEU HD12 H 1 0.900 -0.006 . 1 . . . A 4 LEU HD12 . c19468_2md1 1 27 . 1 1 4 4 LEU HD13 H 1 0.900 -0.006 . 1 . . . A 4 LEU HD13 . c19468_2md1 1 28 . 1 1 4 4 LEU HD21 H 1 0.900 -0.006 . 1 . . . A 4 LEU HD21 . c19468_2md1 1 29 . 1 1 4 4 LEU HD22 H 1 0.900 -0.006 . 1 . . . A 4 LEU HD22 . c19468_2md1 1 30 . 1 1 4 4 LEU HD23 H 1 0.900 -0.006 . 1 . . . A 4 LEU HD23 . c19468_2md1 1 31 . 1 1 5 5 SER H H 1 8.300 0.004 . 1 . . . A 5 SER H . c19468_2md1 1 32 . 1 1 5 5 SER HA H 1 4.450 0.001 . 1 . . . A 5 SER HA . c19468_2md1 1 33 . 1 1 5 5 SER HB2 H 1 3.890 0.003 . 2 . . . A 5 SER HB2 . c19468_2md1 1 34 . 1 1 5 5 SER HB3 H 1 3.890 0.003 . 2 . . . A 5 SER HB3 . c19468_2md1 1 35 . 1 1 6 6 LYS H H 1 8.420 0.001 . 1 . . . A 6 LYS H . c19468_2md1 1 36 . 1 1 6 6 LYS HA H 1 4.300 0.002 . 1 . . . A 6 LYS HA . c19468_2md1 1 37 . 1 1 6 6 LYS HB2 H 1 1.850 -0.004 . 2 . . . A 6 LYS HB2 . c19468_2md1 1 38 . 1 1 6 6 LYS HB3 H 1 1.850 -0.004 . 2 . . . A 6 LYS HB3 . c19468_2md1 1 39 . 1 1 6 6 LYS HG2 H 1 1.430 0.002 . 2 . . . A 6 LYS HG2 . c19468_2md1 1 40 . 1 1 6 6 LYS HG3 H 1 1.430 0.002 . 2 . . . A 6 LYS HG3 . c19468_2md1 1 41 . 1 1 6 6 LYS HD2 H 1 1.740 -0.003 . 2 . . . A 6 LYS HD2 . c19468_2md1 1 42 . 1 1 6 6 LYS HD3 H 1 1.740 -0.003 . 2 . . . A 6 LYS HD3 . c19468_2md1 1 43 . 1 1 7 7 ALA H H 1 8.275 0.002 . 1 . . . A 7 ALA H . c19468_2md1 1 44 . 1 1 7 7 ALA HA H 1 4.390 0.004 . 1 . . . A 7 ALA HA . c19468_2md1 1 45 . 1 1 7 7 ALA HB1 H 1 1.490 0.003 . 1 . . . A 7 ALA HB1 . c19468_2md1 1 46 . 1 1 7 7 ALA HB2 H 1 1.490 0.003 . 1 . . . A 7 ALA HB2 . c19468_2md1 1 47 . 1 1 7 7 ALA HB3 H 1 1.490 0.003 . 1 . . . A 7 ALA HB3 . c19468_2md1 1 48 . 1 1 8 8 GLN H H 1 8.294 0.004 . 1 . . . A 8 GLN H . c19468_2md1 1 49 . 1 1 8 8 GLN HA H 1 4.256 0.005 . 1 . . . A 8 GLN HA . c19468_2md1 1 50 . 1 1 8 8 GLN HB2 H 1 2.080 0.001 . 2 . . . A 8 GLN HB2 . c19468_2md1 1 51 . 1 1 8 8 GLN HB3 H 1 2.080 0.001 . 2 . . . A 8 GLN HB3 . c19468_2md1 1 52 . 1 1 9 9 GLU H H 1 8.356 0.003 . 1 . . . A 9 GLU H . c19468_2md1 1 53 . 1 1 9 9 GLU HA H 1 4.417 0.005 . 1 . . . A 9 GLU HA . c19468_2md1 1 54 . 1 1 9 9 GLU HB2 H 1 1.950 0.002 . 2 . . . A 9 GLU HB2 . c19468_2md1 1 55 . 1 1 9 9 GLU HB3 H 1 1.950 0.002 . 2 . . . A 9 GLU HB3 . c19468_2md1 1 56 . 1 1 9 9 GLU HG2 H 1 2.224 0.004 . 2 . . . A 9 GLU HG2 . c19468_2md1 1 57 . 1 1 9 9 GLU HG3 H 1 2.224 0.004 . 2 . . . A 9 GLU HG3 . c19468_2md1 1 58 . 1 1 10 10 LYS H H 1 7.888 0.003 . 1 . . . A 10 LYS H . c19468_2md1 1 59 . 1 1 10 10 LYS HA H 1 4.113 0.003 . 1 . . . A 10 LYS HA . c19468_2md1 1 60 . 1 1 10 10 LYS HB2 H 1 1.889 0.003 . 2 . . . A 10 LYS HB2 . c19468_2md1 1 61 . 1 1 10 10 LYS HB3 H 1 1.889 0.003 . 2 . . . A 10 LYS HB3 . c19468_2md1 1 62 . 1 1 10 10 LYS HG2 H 1 1.414 -0.002 . 2 . . . A 10 LYS HG2 . c19468_2md1 1 63 . 1 1 10 10 LYS HG3 H 1 1.414 -0.002 . 2 . . . A 10 LYS HG3 . c19468_2md1 1 64 . 1 1 10 10 LYS HD2 H 1 1.600 0.001 . 2 . . . A 10 LYS HD2 . c19468_2md1 1 65 . 1 1 10 10 LYS HD3 H 1 1.600 0.001 . 2 . . . A 10 LYS HD3 . c19468_2md1 1 66 . 1 1 11 11 PHE H H 1 8.190 0.003 . 1 . . . A 11 PHE H . c19468_2md1 1 67 . 1 1 11 11 PHE HA H 1 4.200 -0.003 . 1 . . . A 11 PHE HA . c19468_2md1 1 68 . 1 1 11 11 PHE HB2 H 1 3.200 0.002 . 2 . . . A 11 PHE HB2 . c19468_2md1 1 69 . 1 1 11 11 PHE HB3 H 1 3.085 0.005 . 2 . . . A 11 PHE HB3 . c19468_2md1 1 70 . 1 1 12 12 GLY H H 1 8.201 0.002 . 1 . . . A 12 GLY H . c19468_2md1 1 71 . 1 1 12 12 GLY HA2 H 1 3.908 0.002 . 2 . . . A 12 GLY HA2 . c19468_2md1 1 72 . 1 1 12 12 GLY HA3 H 1 3.908 0.002 . 2 . . . A 12 GLY HA3 . c19468_2md1 1 73 . 1 1 13 13 LYS H H 1 8.254 -0.003 . 1 . . . A 13 LYS H . c19468_2md1 1 74 . 1 1 13 13 LYS HA H 1 4.289 -0.001 . 1 . . . A 13 LYS HA . c19468_2md1 1 75 . 1 1 13 13 LYS HB2 H 1 1.920 -0.002 . 2 . . . A 13 LYS HB2 . c19468_2md1 1 76 . 1 1 13 13 LYS HB3 H 1 1.920 -0.002 . 2 . . . A 13 LYS HB3 . c19468_2md1 1 77 . 1 1 13 13 LYS HG2 H 1 1.420 -0.002 . 2 . . . A 13 LYS HG2 . c19468_2md1 1 78 . 1 1 13 13 LYS HG3 H 1 1.420 -0.002 . 2 . . . A 13 LYS HG3 . c19468_2md1 1 79 . 1 1 13 13 LYS HD2 H 1 1.710 0.002 . 2 . . . A 13 LYS HD2 . c19468_2md1 1 80 . 1 1 13 13 LYS HD3 H 1 1.710 0.002 . 2 . . . A 13 LYS HD3 . c19468_2md1 1 81 . 1 1 14 14 ASN H H 1 8.476 -0.003 . 1 . . . A 14 ASN H . c19468_2md1 1 82 . 1 1 14 14 ASN HA H 1 4.688 0.002 . 1 . . . A 14 ASN HA . c19468_2md1 1 83 . 1 1 14 14 ASN HB2 H 1 2.773 0.003 . 2 . . . A 14 ASN HB2 . c19468_2md1 1 84 . 1 1 14 14 ASN HB3 H 1 2.773 0.003 . 2 . . . A 14 ASN HB3 . c19468_2md1 1 85 . 1 1 15 15 LYS H H 1 8.206 0.001 . 1 . . . A 15 LYS H . c19468_2md1 1 86 . 1 1 15 15 LYS HA H 1 4.254 0.003 . 1 . . . A 15 LYS HA . c19468_2md1 1 87 . 1 1 15 15 LYS HB2 H 1 1.866 0.003 . 2 . . . A 15 LYS HB2 . c19468_2md1 1 88 . 1 1 15 15 LYS HB3 H 1 1.866 0.003 . 2 . . . A 15 LYS HB3 . c19468_2md1 1 89 . 1 1 15 15 LYS HD2 H 1 1.771 0.005 . 2 . . . A 15 LYS HD2 . c19468_2md1 1 90 . 1 1 15 15 LYS HD3 H 1 1.771 0.005 . 2 . . . A 15 LYS HD3 . c19468_2md1 1 91 . 1 1 16 16 SER H H 1 8.410 -0.002 . 1 . . . A 16 SER H . c19468_2md1 1 92 . 1 1 16 16 SER HA H 1 4.426 0.003 . 1 . . . A 16 SER HA . c19468_2md1 1 93 . 1 1 16 16 SER HB2 H 1 3.877 0.002 . 2 . . . A 16 SER HB2 . c19468_2md1 1 94 . 1 1 16 16 SER HB3 H 1 3.877 0.002 . 2 . . . A 16 SER HB3 . c19468_2md1 1 95 . 1 1 17 17 ARG H H 1 7.961 0.003 . 1 . . . A 17 ARG H . c19468_2md1 1 96 . 1 1 17 17 ARG HA H 1 4.159 0.002 . 1 . . . A 17 ARG HA . c19468_2md1 1 97 . 1 1 17 17 ARG HB2 H 1 1.831 -0.005 . 2 . . . A 17 ARG HB2 . c19468_2md1 1 98 . 1 1 17 17 ARG HB3 H 1 1.831 -0.005 . 2 . . . A 17 ARG HB3 . c19468_2md1 1 99 . 1 1 17 17 ARG HG2 H 1 1.710 -0.004 . 2 . . . A 17 ARG HG2 . c19468_2md1 1 100 . 1 1 17 17 ARG HG3 H 1 1.710 -0.004 . 2 . . . A 17 ARG HG3 . c19468_2md1 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 c19468_2md1 _Conformer_stat_list.ID 1 _Conformer_stat_list.Conf_family_coord_set_ID 1 _Conformer_stat_list.Conf_family_coord_set_label $Original_constraints_and_structures _Conformer_stat_list.Conformer_submitted_total_num 10 save_ ##################################### # Conformer family coordinate set # ##################################### save_ensemble_of_conformers _Conformer_family_coord_set.Sf_category conformer_family_coord_set _Conformer_family_coord_set.Sf_framecode ensemble_of_conformers _Conformer_family_coord_set.Entry_ID c19468_2md1 _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 . . . c19468_2md1 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 . . . . c19468_2md1 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 TRP C C 2.068 1.377 -1.897 . . . 1.0 . . . . . . . . . . . . A . 1 TRP C . . . . . . . . . c19468_2md1 1 . 1 . 2 . 1 1 1 TRP CA C 2.092 0.000 -1.242 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CA . . . . . . . . . c19468_2md1 1 . 1 . 3 . 1 1 1 TRP CB C 1.535 -1.047 -2.208 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CB . . . . . . . . . c19468_2md1 1 . 1 . 4 . 1 1 1 TRP CD1 C 3.843 -1.816 -3.013 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD1 . . . . . . . . . c19468_2md1 1 . 1 . 5 . 1 1 1 TRP CD2 C 2.298 -1.695 -4.629 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD2 . . . . . . . . . c19468_2md1 1 . 1 . 6 . 1 1 1 TRP CE2 C 3.511 -2.126 -5.199 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE2 . . . . . . . . . c19468_2md1 1 . 1 . 7 . 1 1 1 TRP CE3 C 1.181 -1.547 -5.456 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE3 . . . . . . . . . c19468_2md1 1 . 1 . 8 . 1 1 1 TRP CG C 2.532 -1.503 -3.230 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CG . . . . . . . . . c19468_2md1 1 . 1 . 9 . 1 1 1 TRP CH2 C 2.528 -2.254 -7.343 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CH2 . . . . . . . . . c19468_2md1 1 . 1 . 10 . 1 1 1 TRP CZ2 C 3.637 -2.408 -6.557 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ2 . . . . . . . . . c19468_2md1 1 . 1 . 11 . 1 1 1 TRP CZ3 C 1.307 -1.827 -6.803 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ3 . . . . . . . . . c19468_2md1 1 . 1 . 12 . 1 1 1 TRP H1 H 1.807 0.000 0.856 . . . 1.0 . . . . . . . . . . . . A . 1 TRP H1 . . . . . . . . . c19468_2md1 1 . 1 . 13 . 1 1 1 TRP HA H 3.114 -0.253 -1.002 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HA . . . . . . . . . c19468_2md1 1 . 1 . 14 . 1 1 1 TRP HB2 H 1.214 -1.911 -1.646 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB2 . . . . . . . . . c19468_2md1 1 . 1 . 15 . 1 1 1 TRP HB3 H 0.687 -0.628 -2.732 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB3 . . . . . . . . . c19468_2md1 1 . 1 . 16 . 1 1 1 TRP HD1 H 4.328 -1.769 -2.050 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HD1 . . . . . . . . . c19468_2md1 1 . 1 . 17 . 1 1 1 TRP HE1 H 5.375 -2.463 -4.296 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE1 . . . . . . . . . c19468_2md1 1 . 1 . 18 . 1 1 1 TRP HE3 H 0.232 -1.218 -5.059 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE3 . . . . . . . . . c19468_2md1 1 . 1 . 19 . 1 1 1 TRP HH2 H 2.580 -2.462 -8.401 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HH2 . . . . . . . . . c19468_2md1 1 . 1 . 20 . 1 1 1 TRP HZ2 H 4.571 -2.740 -6.988 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ2 . . . . . . . . . c19468_2md1 1 . 1 . 21 . 1 1 1 TRP HZ3 H 0.455 -1.717 -7.458 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ3 . . . . . . . . . c19468_2md1 1 . 1 . 22 . 1 1 1 TRP N N 1.328 0.000 0.000 . . . 1.0 . . . . . . . . . . . . A . 1 TRP N . . . . . . . . . c19468_2md1 1 . 1 . 23 . 1 1 1 TRP NE1 N 4.438 -2.191 -4.193 . . . 1.0 . . . . . . . . . . . . A . 1 TRP NE1 . . . . . . . . . c19468_2md1 1 . 1 . 24 . 1 1 1 TRP O O 1.044 1.804 -2.430 . . . 1.0 . . . . . . . . . . . . A . 1 TRP O . . . . . . . . . c19468_2md1 1 . 1 . 25 . 1 1 2 LYS C C 2.809 3.397 -3.882 . . . 1.0 . . . . . . . . . . . . A . 2 LYS C . . . . . . . . . c19468_2md1 1 . 1 . 26 . 1 1 2 LYS CA C 3.311 3.398 -2.442 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CA . . . . . . . . . c19468_2md1 1 . 1 . 27 . 1 1 2 LYS CB C 4.763 3.880 -2.397 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CB . . . . . . . . . c19468_2md1 1 . 1 . 28 . 1 1 2 LYS CD C 6.587 2.275 -1.760 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CD . . . . . . . . . c19468_2md1 1 . 1 . 29 . 1 1 2 LYS CE C 7.863 3.073 -1.538 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CE . . . . . . . . . c19468_2md1 1 . 1 . 30 . 1 1 2 LYS CG C 5.761 2.851 -2.898 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CG . . . . . . . . . c19468_2md1 1 . 1 . 31 . 1 1 2 LYS H H 3.984 1.675 -1.412 . . . 1.0 . . . . . . . . . . . . A . 2 LYS H . . . . . . . . . c19468_2md1 1 . 1 . 32 . 1 1 2 LYS HA H 2.699 4.070 -1.860 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HA . . . . . . . . . c19468_2md1 1 . 1 . 33 . 1 1 2 LYS HB2 H 4.854 4.766 -3.007 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB2 . . . . . . . . . c19468_2md1 1 . 1 . 34 . 1 1 2 LYS HB3 H 5.015 4.128 -1.376 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB3 . . . . . . . . . c19468_2md1 1 . 1 . 35 . 1 1 2 LYS HD2 H 6.000 2.297 -0.853 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD2 . . . . . . . . . c19468_2md1 1 . 1 . 36 . 1 1 2 LYS HD3 H 6.848 1.253 -1.997 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD3 . . . . . . . . . c19468_2md1 1 . 1 . 37 . 1 1 2 LYS HE2 H 8.650 2.394 -1.246 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE2 . . . . . . . . . c19468_2md1 1 . 1 . 38 . 1 1 2 LYS HE3 H 8.133 3.559 -2.464 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE3 . . . . . . . . . c19468_2md1 1 . 1 . 39 . 1 1 2 LYS HG2 H 5.225 2.047 -3.381 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG2 . . . . . . . . . c19468_2md1 1 . 1 . 40 . 1 1 2 LYS HG3 H 6.424 3.322 -3.609 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG3 . . . . . . . . . c19468_2md1 1 . 1 . 41 . 1 1 2 LYS HZ1 H 6.905 3.850 0.148 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ1 . . . . . . . . . c19468_2md1 1 . 1 . 42 . 1 1 2 LYS HZ2 H 7.495 5.031 -0.910 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ2 . . . . . . . . . c19468_2md1 1 . 1 . 43 . 1 1 2 LYS HZ3 H 8.563 4.181 0.088 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ3 . . . . . . . . . c19468_2md1 1 . 1 . 44 . 1 1 2 LYS N N 3.201 2.069 -1.852 . . . 1.0 . . . . . . . . . . . . A . 2 LYS N . . . . . . . . . c19468_2md1 1 . 1 . 45 . 1 1 2 LYS NZ N 7.695 4.105 -0.479 . . . 1.0 . . . . . . . . . . . . A . 2 LYS NZ . . . . . . . . . c19468_2md1 1 . 1 . 46 . 1 1 2 LYS O O 2.382 4.429 -4.402 . . . 1.0 . . . . . . . . . . . . A . 2 LYS O . . . . . . . . . c19468_2md1 1 . 1 . 47 . 1 1 3 LEU C C 0.886 2.118 -5.981 . . . 1.0 . . . . . . . . . . . . A . 3 LEU C . . . . . . . . . c19468_2md1 1 . 1 . 48 . 1 1 3 LEU CA C 2.409 2.098 -5.902 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CA . . . . . . . . . c19468_2md1 1 . 1 . 49 . 1 1 3 LEU CB C 2.946 0.801 -6.510 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CB . . . . . . . . . c19468_2md1 1 . 1 . 50 . 1 1 3 LEU CD1 C 3.324 1.902 -8.730 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CD1 . . . . . . . . . c19468_2md1 1 . 1 . 51 . 1 1 3 LEU CD2 C 5.260 1.464 -7.208 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CD2 . . . . . . . . . c19468_2md1 1 . 1 . 52 . 1 1 3 LEU CG C 3.907 0.960 -7.688 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CG . . . . . . . . . c19468_2md1 1 . 1 . 53 . 1 1 3 LEU H H 3.210 1.446 -4.055 . . . 1.0 . . . . . . . . . . . . A . 3 LEU H . . . . . . . . . c19468_2md1 1 . 1 . 54 . 1 1 3 LEU HA H 2.797 2.936 -6.461 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HA . . . . . . . . . c19468_2md1 1 . 1 . 55 . 1 1 3 LEU HB2 H 3.462 0.260 -5.732 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HB2 . . . . . . . . . c19468_2md1 1 . 1 . 56 . 1 1 3 LEU HB3 H 2.099 0.220 -6.848 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HB3 . . . . . . . . . c19468_2md1 1 . 1 . 57 . 1 1 3 LEU HD11 H 3.111 1.352 -9.633 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD11 . . . . . . . . . c19468_2md1 1 . 1 . 58 . 1 1 3 LEU HD12 H 4.036 2.685 -8.945 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD12 . . . . . . . . . c19468_2md1 1 . 1 . 59 . 1 1 3 LEU HD13 H 2.413 2.339 -8.349 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD13 . . . . . . . . . c19468_2md1 1 . 1 . 60 . 1 1 3 LEU HD21 H 5.151 2.461 -6.807 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD21 . . . . . . . . . c19468_2md1 1 . 1 . 61 . 1 1 3 LEU HD22 H 5.952 1.483 -8.037 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD22 . . . . . . . . . c19468_2md1 1 . 1 . 62 . 1 1 3 LEU HD23 H 5.638 0.805 -6.439 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD23 . . . . . . . . . c19468_2md1 1 . 1 . 63 . 1 1 3 LEU HG H 4.055 -0.004 -8.156 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HG . . . . . . . . . c19468_2md1 1 . 1 . 64 . 1 1 3 LEU N N 2.860 2.233 -4.521 . . . 1.0 . . . . . . . . . . . . A . 3 LEU N . . . . . . . . . c19468_2md1 1 . 1 . 65 . 1 1 3 LEU O O 0.308 2.724 -6.884 . . . 1.0 . . . . . . . . . . . . A . 3 LEU O . . . . . . . . . c19468_2md1 1 . 1 . 66 . 1 1 4 LEU C C -1.792 2.632 -4.305 . . . 1.0 . . . . . . . . . . . . A . 4 LEU C . . . . . . . . . c19468_2md1 1 . 1 . 67 . 1 1 4 LEU CA C -1.217 1.396 -4.989 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CA . . . . . . . . . c19468_2md1 1 . 1 . 68 . 1 1 4 LEU CB C -1.678 0.133 -4.259 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CB . . . . . . . . . c19468_2md1 1 . 1 . 69 . 1 1 4 LEU CD1 C -1.873 -0.765 -6.591 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD1 . . . . . . . . . c19468_2md1 1 . 1 . 70 . 1 1 4 LEU CD2 C -1.799 -2.340 -4.650 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD2 . . . . . . . . . c19468_2md1 1 . 1 . 71 . 1 1 4 LEU CG C -2.262 -0.975 -5.136 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CG . . . . . . . . . c19468_2md1 1 . 1 . 72 . 1 1 4 LEU H H 0.755 0.989 -4.336 . . . 1.0 . . . . . . . . . . . . A . 4 LEU H . . . . . . . . . c19468_2md1 1 . 1 . 73 . 1 1 4 LEU HA H -1.575 1.364 -6.007 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HA . . . . . . . . . c19468_2md1 1 . 1 . 74 . 1 1 4 LEU HB2 H -0.827 -0.274 -3.734 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB2 . . . . . . . . . c19468_2md1 1 . 1 . 75 . 1 1 4 LEU HB3 H -2.434 0.424 -3.543 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB3 . . . . . . . . . c19468_2md1 1 . 1 . 76 . 1 1 4 LEU HD11 H -2.492 0.007 -7.021 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD11 . . . . . . . . . c19468_2md1 1 . 1 . 77 . 1 1 4 LEU HD12 H -2.012 -1.686 -7.137 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD12 . . . . . . . . . c19468_2md1 1 . 1 . 78 . 1 1 4 LEU HD13 H -0.835 -0.467 -6.646 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD13 . . . . . . . . . c19468_2md1 1 . 1 . 79 . 1 1 4 LEU HD21 H -1.091 -2.751 -5.353 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD21 . . . . . . . . . c19468_2md1 1 . 1 . 80 . 1 1 4 LEU HD22 H -2.650 -3.000 -4.567 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD22 . . . . . . . . . c19468_2md1 1 . 1 . 81 . 1 1 4 LEU HD23 H -1.328 -2.237 -3.682 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD23 . . . . . . . . . c19468_2md1 1 . 1 . 82 . 1 1 4 LEU HG H -3.341 -0.944 -5.072 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HG . . . . . . . . . c19468_2md1 1 . 1 . 83 . 1 1 4 LEU N N 0.240 1.453 -5.029 . . . 1.0 . . . . . . . . . . . . A . 4 LEU N . . . . . . . . . c19468_2md1 1 . 1 . 84 . 1 1 4 LEU O O -2.904 3.062 -4.611 . . . 1.0 . . . . . . . . . . . . A . 4 LEU O . . . . . . . . . c19468_2md1 1 . 1 . 85 . 1 1 5 SER C C -1.350 5.630 -3.523 . . . 1.0 . . . . . . . . . . . . A . 5 SER C . . . . . . . . . c19468_2md1 1 . 1 . 86 . 1 1 5 SER CA C -1.460 4.385 -2.649 . . . 1.0 . . . . . . . . . . . . A . 5 SER CA . . . . . . . . . c19468_2md1 1 . 1 . 87 . 1 1 5 SER CB C -0.624 4.563 -1.380 . . . 1.0 . . . . . . . . . . . . A . 5 SER CB . . . . . . . . . c19468_2md1 1 . 1 . 88 . 1 1 5 SER H H -0.149 2.808 -3.179 . . . 1.0 . . . . . . . . . . . . A . 5 SER H . . . . . . . . . c19468_2md1 1 . 1 . 89 . 1 1 5 SER HA H -2.494 4.244 -2.372 . . . 1.0 . . . . . . . . . . . . A . 5 SER HA . . . . . . . . . c19468_2md1 1 . 1 . 90 . 1 1 5 SER HB2 H 0.418 4.400 -1.612 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB2 . . . . . . . . . c19468_2md1 1 . 1 . 91 . 1 1 5 SER HB3 H -0.757 5.567 -1.003 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB3 . . . . . . . . . c19468_2md1 1 . 1 . 92 . 1 1 5 SER HG H -0.272 3.085 -0.143 . . . 1.0 . . . . . . . . . . . . A . 5 SER HG . . . . . . . . . c19468_2md1 1 . 1 . 93 . 1 1 5 SER N N -1.026 3.199 -3.378 . . . 1.0 . . . . . . . . . . . . A . 5 SER N . . . . . . . . . c19468_2md1 1 . 1 . 94 . 1 1 5 SER O O -1.963 6.660 -3.238 . . . 1.0 . . . . . . . . . . . . A . 5 SER O . . . . . . . . . c19468_2md1 1 . 1 . 95 . 1 1 5 SER OG O -1.017 3.643 -0.377 . . . 1.0 . . . . . . . . . . . . A . 5 SER OG . . . . . . . . . c19468_2md1 1 . 1 . 96 . 1 1 6 LYS C C -1.186 6.447 -6.783 . . . 1.0 . . . . . . . . . . . . A . 6 LYS C . . . . . . . . . c19468_2md1 1 . 1 . 97 . 1 1 6 LYS CA C -0.373 6.646 -5.508 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CA . . . . . . . . . c19468_2md1 1 . 1 . 98 . 1 1 6 LYS CB C 1.110 6.799 -5.855 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CB . . . . . . . . . c19468_2md1 1 . 1 . 99 . 1 1 6 LYS CD C 1.466 6.208 -8.271 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CD . . . . . . . . . c19468_2md1 1 . 1 . 100 . 1 1 6 LYS CE C 2.705 5.883 -9.092 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CE . . . . . . . . . c19468_2md1 1 . 1 . 101 . 1 1 6 LYS CG C 1.618 5.750 -6.830 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CG . . . . . . . . . c19468_2md1 1 . 1 . 102 . 1 1 6 LYS H H -0.102 4.682 -4.764 . . . 1.0 . . . . . . . . . . . . A . 6 LYS H . . . . . . . . . c19468_2md1 1 . 1 . 103 . 1 1 6 LYS HA H -0.713 7.543 -5.015 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HA . . . . . . . . . c19468_2md1 1 . 1 . 104 . 1 1 6 LYS HB2 H 1.265 7.774 -6.294 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB2 . . . . . . . . . c19468_2md1 1 . 1 . 105 . 1 1 6 LYS HB3 H 1.689 6.726 -4.946 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB3 . . . . . . . . . c19468_2md1 1 . 1 . 106 . 1 1 6 LYS HD2 H 0.616 5.709 -8.711 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD2 . . . . . . . . . c19468_2md1 1 . 1 . 107 . 1 1 6 LYS HD3 H 1.306 7.277 -8.285 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD3 . . . . . . . . . c19468_2md1 1 . 1 . 108 . 1 1 6 LYS HE2 H 3.295 5.156 -8.556 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE2 . . . . . . . . . c19468_2md1 1 . 1 . 109 . 1 1 6 LYS HE3 H 2.393 5.467 -10.039 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE3 . . . . . . . . . c19468_2md1 1 . 1 . 110 . 1 1 6 LYS HG2 H 2.663 5.563 -6.631 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG2 . . . . . . . . . c19468_2md1 1 . 1 . 111 . 1 1 6 LYS HG3 H 1.054 4.839 -6.690 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG3 . . . . . . . . . c19468_2md1 1 . 1 . 112 . 1 1 6 LYS HZ1 H 4.064 7.349 -8.486 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ1 . . . . . . . . . c19468_2md1 1 . 1 . 113 . 1 1 6 LYS HZ2 H 2.929 7.892 -9.617 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ2 . . . . . . . . . c19468_2md1 1 . 1 . 114 . 1 1 6 LYS HZ3 H 4.212 6.908 -10.112 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ3 . . . . . . . . . c19468_2md1 1 . 1 . 115 . 1 1 6 LYS N N -0.564 5.529 -4.590 . . . 1.0 . . . . . . . . . . . . A . 6 LYS N . . . . . . . . . c19468_2md1 1 . 1 . 116 . 1 1 6 LYS NZ N 3.536 7.093 -9.344 . . . 1.0 . . . . . . . . . . . . A . 6 LYS NZ . . . . . . . . . c19468_2md1 1 . 1 . 117 . 1 1 6 LYS O O -1.451 7.399 -7.516 . . . 1.0 . . . . . . . . . . . . A . 6 LYS O . . . . . . . . . c19468_2md1 1 . 1 . 118 . 1 1 7 ALA C C -3.846 4.738 -7.879 . . . 1.0 . . . . . . . . . . . . A . 7 ALA C . . . . . . . . . c19468_2md1 1 . 1 . 119 . 1 1 7 ALA CA C -2.367 4.881 -8.224 . . . 1.0 . . . . . . . . . . . . A . 7 ALA CA . . . . . . . . . c19468_2md1 1 . 1 . 120 . 1 1 7 ALA CB C -1.848 3.606 -8.871 . . . 1.0 . . . . . . . . . . . . A . 7 ALA CB . . . . . . . . . c19468_2md1 1 . 1 . 121 . 1 1 7 ALA H H -1.338 4.487 -6.418 . . . 1.0 . . . . . . . . . . . . A . 7 ALA H . . . . . . . . . c19468_2md1 1 . 1 . 122 . 1 1 7 ALA HA H -2.250 5.689 -8.933 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HA . . . . . . . . . c19468_2md1 1 . 1 . 123 . 1 1 7 ALA HB1 H -2.380 3.429 -9.795 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB1 . . . . . . . . . c19468_2md1 1 . 1 . 124 . 1 1 7 ALA HB2 H -0.794 3.710 -9.077 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB2 . . . . . . . . . c19468_2md1 1 . 1 . 125 . 1 1 7 ALA HB3 H -2.004 2.774 -8.201 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB3 . . . . . . . . . c19468_2md1 1 . 1 . 126 . 1 1 7 ALA N N -1.581 5.204 -7.040 . . . 1.0 . . . . . . . . . . . . A . 7 ALA N . . . . . . . . . c19468_2md1 1 . 1 . 127 . 1 1 7 ALA O O -4.698 4.701 -8.766 . . . 1.0 . . . . . . . . . . . . A . 7 ALA O . . . . . . . . . c19468_2md1 1 . 1 . 128 . 1 1 8 GLN C C -5.983 5.780 -5.407 . . . 1.0 . . . . . . . . . . . . A . 8 GLN C . . . . . . . . . c19468_2md1 1 . 1 . 129 . 1 1 8 GLN CA C -5.518 4.517 -6.125 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CA . . . . . . . . . c19468_2md1 1 . 1 . 130 . 1 1 8 GLN CB C -5.645 3.310 -5.194 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CB . . . . . . . . . c19468_2md1 1 . 1 . 131 . 1 1 8 GLN CD C -6.285 1.297 -6.580 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CD . . . . . . . . . c19468_2md1 1 . 1 . 132 . 1 1 8 GLN CG C -5.181 2.006 -5.822 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CG . . . . . . . . . c19468_2md1 1 . 1 . 133 . 1 1 8 GLN H H -3.418 4.694 -5.927 . . . 1.0 . . . . . . . . . . . . A . 8 GLN H . . . . . . . . . c19468_2md1 1 . 1 . 134 . 1 1 8 GLN HA H -6.143 4.360 -6.991 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HA . . . . . . . . . c19468_2md1 1 . 1 . 135 . 1 1 8 GLN HB2 H -5.054 3.490 -4.309 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB2 . . . . . . . . . c19468_2md1 1 . 1 . 136 . 1 1 8 GLN HB3 H -6.681 3.198 -4.909 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB3 . . . . . . . . . c19468_2md1 1 . 1 . 137 . 1 1 8 GLN HE21 H -7.340 1.097 -4.907 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE21 . . . . . . . . . c19468_2md1 1 . 1 . 138 . 1 1 8 GLN HE22 H -8.065 0.447 -6.334 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE22 . . . . . . . . . c19468_2md1 1 . 1 . 139 . 1 1 8 GLN HG2 H -4.374 2.218 -6.507 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG2 . . . . . . . . . c19468_2md1 1 . 1 . 140 . 1 1 8 GLN HG3 H -4.824 1.352 -5.039 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG3 . . . . . . . . . c19468_2md1 1 . 1 . 141 . 1 1 8 GLN N N -4.142 4.658 -6.586 . . . 1.0 . . . . . . . . . . . . A . 8 GLN N . . . . . . . . . c19468_2md1 1 . 1 . 142 . 1 1 8 GLN NE2 N -7.336 0.907 -5.869 . . . 1.0 . . . . . . . . . . . . A . 8 GLN NE2 . . . . . . . . . c19468_2md1 1 . 1 . 143 . 1 1 8 GLN O O -7.179 6.060 -5.338 . . . 1.0 . . . . . . . . . . . . A . 8 GLN O . . . . . . . . . c19468_2md1 1 . 1 . 144 . 1 1 8 GLN OE1 O -6.195 1.102 -7.793 . . . 1.0 . . . . . . . . . . . . A . 8 GLN OE1 . . . . . . . . . c19468_2md1 1 . 1 . 145 . 1 1 9 GLU C C -6.121 8.732 -5.052 . . . 1.0 . . . . . . . . . . . . A . 9 GLU C . . . . . . . . . c19468_2md1 1 . 1 . 146 . 1 1 9 GLU CA C -5.343 7.769 -4.160 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CA . . . . . . . . . c19468_2md1 1 . 1 . 147 . 1 1 9 GLU CB C -4.060 8.439 -3.665 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CB . . . . . . . . . c19468_2md1 1 . 1 . 148 . 1 1 9 GLU CD C -2.987 10.523 -2.724 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CD . . . . . . . . . c19468_2md1 1 . 1 . 149 . 1 1 9 GLU CG C -4.224 9.918 -3.358 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CG . . . . . . . . . c19468_2md1 1 . 1 . 150 . 1 1 9 GLU H H -4.094 6.260 -4.962 . . . 1.0 . . . . . . . . . . . . A . 9 GLU H . . . . . . . . . c19468_2md1 1 . 1 . 151 . 1 1 9 GLU HA H -5.955 7.512 -3.308 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HA . . . . . . . . . c19468_2md1 1 . 1 . 152 . 1 1 9 GLU HB2 H -3.731 7.940 -2.765 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HB2 . . . . . . . . . c19468_2md1 1 . 1 . 153 . 1 1 9 GLU HB3 H -3.298 8.333 -4.423 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HB3 . . . . . . . . . c19468_2md1 1 . 1 . 154 . 1 1 9 GLU HG2 H -4.431 10.443 -4.279 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HG2 . . . . . . . . . c19468_2md1 1 . 1 . 155 . 1 1 9 GLU HG3 H -5.056 10.042 -2.680 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HG3 . . . . . . . . . c19468_2md1 1 . 1 . 156 . 1 1 9 GLU N N -5.030 6.537 -4.874 . . . 1.0 . . . . . . . . . . . . A . 9 GLU N . . . . . . . . . c19468_2md1 1 . 1 . 157 . 1 1 9 GLU O O -6.898 9.556 -4.568 . . . 1.0 . . . . . . . . . . . . A . 9 GLU O . . . . . . . . . c19468_2md1 1 . 1 . 158 . 1 1 9 GLU OE1 O -2.883 10.492 -1.480 . . . 1.0 . . . . . . . . . . . . A . 9 GLU OE1 . . . . . . . . . c19468_2md1 1 . 1 . 159 . 1 1 9 GLU OE2 O -2.123 11.029 -3.471 . . . 1.0 . . . . . . . . . . . . A . 9 GLU OE2 . . . . . . . . . c19468_2md1 1 . 1 . 160 . 1 1 10 LYS C C -7.947 8.905 -7.698 . . . 1.0 . . . . . . . . . . . . A . 10 LYS C . . . . . . . . . c19468_2md1 1 . 1 . 161 . 1 1 10 LYS CA C -6.586 9.482 -7.321 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CA . . . . . . . . . c19468_2md1 1 . 1 . 162 . 1 1 10 LYS CB C -5.728 9.655 -8.576 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CB . . . . . . . . . c19468_2md1 1 . 1 . 163 . 1 1 10 LYS CD C -5.950 8.290 -10.673 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CD . . . . . . . . . c19468_2md1 1 . 1 . 164 . 1 1 10 LYS CE C -5.010 8.941 -11.676 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CE . . . . . . . . . c19468_2md1 1 . 1 . 165 . 1 1 10 LYS CG C -5.384 8.345 -9.264 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CG . . . . . . . . . c19468_2md1 1 . 1 . 166 . 1 1 10 LYS H H -5.275 7.946 -6.684 . . . 1.0 . . . . . . . . . . . . A . 10 LYS H . . . . . . . . . c19468_2md1 1 . 1 . 167 . 1 1 10 LYS HA H -6.733 10.446 -6.859 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HA . . . . . . . . . c19468_2md1 1 . 1 . 168 . 1 1 10 LYS HB2 H -6.262 10.278 -9.279 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB2 . . . . . . . . . c19468_2md1 1 . 1 . 169 . 1 1 10 LYS HB3 H -4.806 10.147 -8.302 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB3 . . . . . . . . . c19468_2md1 1 . 1 . 170 . 1 1 10 LYS HD2 H -6.097 7.258 -10.952 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD2 . . . . . . . . . c19468_2md1 1 . 1 . 171 . 1 1 10 LYS HD3 H -6.898 8.809 -10.692 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD3 . . . . . . . . . c19468_2md1 1 . 1 . 172 . 1 1 10 LYS HE2 H -4.237 9.467 -11.138 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE2 . . . . . . . . . c19468_2md1 1 . 1 . 173 . 1 1 10 LYS HE3 H -4.562 8.168 -12.283 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE3 . . . . . . . . . c19468_2md1 1 . 1 . 174 . 1 1 10 LYS HG2 H -4.310 8.247 -9.314 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG2 . . . . . . . . . c19468_2md1 1 . 1 . 175 . 1 1 10 LYS HG3 H -5.796 7.528 -8.688 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG3 . . . . . . . . . c19468_2md1 1 . 1 . 176 . 1 1 10 LYS HZ1 H -6.627 9.494 -12.878 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ1 . . . . . . . . . c19468_2md1 1 . 1 . 177 . 1 1 10 LYS HZ2 H -5.142 10.115 -13.399 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ2 . . . . . . . . . c19468_2md1 1 . 1 . 178 . 1 1 10 LYS HZ3 H -5.913 10.786 -12.052 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ3 . . . . . . . . . c19468_2md1 1 . 1 . 179 . 1 1 10 LYS N N -5.906 8.623 -6.359 . . . 1.0 . . . . . . . . . . . . A . 10 LYS N . . . . . . . . . c19468_2md1 1 . 1 . 180 . 1 1 10 LYS NZ N -5.723 9.901 -12.563 . . . 1.0 . . . . . . . . . . . . A . 10 LYS NZ . . . . . . . . . c19468_2md1 1 . 1 . 181 . 1 1 10 LYS O O -8.575 9.349 -8.660 . . . 1.0 . . . . . . . . . . . . A . 10 LYS O . . . . . . . . . c19468_2md1 1 . 1 . 182 . 1 1 11 PHE C C -10.607 7.415 -5.980 . . . 1.0 . . . . . . . . . . . . A . 11 PHE C . . . . . . . . . c19468_2md1 1 . 1 . 183 . 1 1 11 PHE CA C -9.686 7.280 -7.188 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CA . . . . . . . . . c19468_2md1 1 . 1 . 184 . 1 1 11 PHE CB C -9.489 5.802 -7.531 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CB . . . . . . . . . c19468_2md1 1 . 1 . 185 . 1 1 11 PHE CD1 C -9.663 6.220 -9.999 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CD1 . . . . . . . . . c19468_2md1 1 . 1 . 186 . 1 1 11 PHE CD2 C -8.001 4.696 -9.222 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CD2 . . . . . . . . . c19468_2md1 1 . 1 . 187 . 1 1 11 PHE CE1 C -9.254 6.008 -11.302 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CE1 . . . . . . . . . c19468_2md1 1 . 1 . 188 . 1 1 11 PHE CE2 C -7.588 4.481 -10.523 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CE2 . . . . . . . . . c19468_2md1 1 . 1 . 189 . 1 1 11 PHE CG C -9.042 5.568 -8.945 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CG . . . . . . . . . c19468_2md1 1 . 1 . 190 . 1 1 11 PHE CZ C -8.216 5.136 -11.564 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CZ . . . . . . . . . c19468_2md1 1 . 1 . 191 . 1 1 11 PHE H H -7.852 7.606 -6.181 . . . 1.0 . . . . . . . . . . . . A . 11 PHE H . . . . . . . . . c19468_2md1 1 . 1 . 192 . 1 1 11 PHE HA H -10.140 7.778 -8.030 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HA . . . . . . . . . c19468_2md1 1 . 1 . 193 . 1 1 11 PHE HB2 H -8.741 5.384 -6.874 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HB2 . . . . . . . . . c19468_2md1 1 . 1 . 194 . 1 1 11 PHE HB3 H -10.422 5.279 -7.385 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HB3 . . . . . . . . . c19468_2md1 1 . 1 . 195 . 1 1 11 PHE HD1 H -10.476 6.902 -9.794 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HD1 . . . . . . . . . c19468_2md1 1 . 1 . 196 . 1 1 11 PHE HD2 H -7.510 4.182 -8.410 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HD2 . . . . . . . . . c19468_2md1 1 . 1 . 197 . 1 1 11 PHE HE1 H -9.748 6.522 -12.113 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HE1 . . . . . . . . . c19468_2md1 1 . 1 . 198 . 1 1 11 PHE HE2 H -6.776 3.798 -10.726 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HE2 . . . . . . . . . c19468_2md1 1 . 1 . 199 . 1 1 11 PHE HZ H -7.894 4.969 -12.582 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HZ . . . . . . . . . c19468_2md1 1 . 1 . 200 . 1 1 11 PHE N N -8.398 7.916 -6.934 . . . 1.0 . . . . . . . . . . . . A . 11 PHE N . . . . . . . . . c19468_2md1 1 . 1 . 201 . 1 1 11 PHE O O -11.030 6.420 -5.393 . . . 1.0 . . . . . . . . . . . . A . 11 PHE O . . . . . . . . . c19468_2md1 1 . 1 . 202 . 1 1 12 GLY C C -13.251 8.868 -4.851 . . . 1.0 . . . . . . . . . . . . A . 12 GLY C . . . . . . . . . c19468_2md1 1 . 1 . 203 . 1 1 12 GLY CA C -11.783 8.900 -4.476 . . . 1.0 . . . . . . . . . . . . A . 12 GLY CA . . . . . . . . . c19468_2md1 1 . 1 . 204 . 1 1 12 GLY H H -10.548 9.412 -6.118 . . . 1.0 . . . . . . . . . . . . A . 12 GLY H . . . . . . . . . c19468_2md1 1 . 1 . 205 . 1 1 12 GLY HA2 H -11.597 8.146 -3.726 . . . 1.0 . . . . . . . . . . . . A . 12 GLY HA2 . . . . . . . . . c19468_2md1 1 . 1 . 206 . 1 1 12 GLY HA3 H -11.551 9.871 -4.063 . . . 1.0 . . . . . . . . . . . . A . 12 GLY HA3 . . . . . . . . . c19468_2md1 1 . 1 . 207 . 1 1 12 GLY N N -10.914 8.656 -5.613 . . . 1.0 . . . . . . . . . . . . A . 12 GLY N . . . . . . . . . c19468_2md1 1 . 1 . 208 . 1 1 12 GLY O O -14.121 9.085 -4.007 . . . 1.0 . . . . . . . . . . . . A . 12 GLY O . . . . . . . . . c19468_2md1 1 . 1 . 209 . 1 1 13 LYS C C -15.257 7.126 -7.067 . . . 1.0 . . . . . . . . . . . . A . 13 LYS C . . . . . . . . . c19468_2md1 1 . 1 . 210 . 1 1 13 LYS CA C -14.903 8.538 -6.609 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CA . . . . . . . . . c19468_2md1 1 . 1 . 211 . 1 1 13 LYS CB C -15.100 9.524 -7.762 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CB . . . . . . . . . c19468_2md1 1 . 1 . 212 . 1 1 13 LYS CD C -13.042 10.724 -8.558 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CD . . . . . . . . . c19468_2md1 1 . 1 . 213 . 1 1 13 LYS CE C -13.070 11.846 -9.585 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CE . . . . . . . . . c19468_2md1 1 . 1 . 214 . 1 1 13 LYS CG C -14.253 10.779 -7.642 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CG . . . . . . . . . c19468_2md1 1 . 1 . 215 . 1 1 13 LYS H H -12.793 8.433 -6.748 . . . 1.0 . . . . . . . . . . . . A . 13 LYS H . . . . . . . . . c19468_2md1 1 . 1 . 216 . 1 1 13 LYS HA H -15.556 8.813 -5.795 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HA . . . . . . . . . c19468_2md1 1 . 1 . 217 . 1 1 13 LYS HB2 H -14.846 9.031 -8.689 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB2 . . . . . . . . . c19468_2md1 1 . 1 . 218 . 1 1 13 LYS HB3 H -16.140 9.818 -7.794 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB3 . . . . . . . . . c19468_2md1 1 . 1 . 219 . 1 1 13 LYS HD2 H -12.146 10.819 -7.963 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD2 . . . . . . . . . c19468_2md1 1 . 1 . 220 . 1 1 13 LYS HD3 H -13.035 9.775 -9.075 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD3 . . . . . . . . . c19468_2md1 1 . 1 . 221 . 1 1 13 LYS HE2 H -14.095 12.138 -9.752 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE2 . . . . . . . . . c19468_2md1 1 . 1 . 222 . 1 1 13 LYS HE3 H -12.515 12.687 -9.195 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE3 . . . . . . . . . c19468_2md1 1 . 1 . 223 . 1 1 13 LYS HG2 H -14.855 11.635 -7.908 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG2 . . . . . . . . . c19468_2md1 1 . 1 . 224 . 1 1 13 LYS HG3 H -13.916 10.877 -6.620 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG3 . . . . . . . . . c19468_2md1 1 . 1 . 225 . 1 1 13 LYS HZ1 H -12.972 11.875 -11.671 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ1 . . . . . . . . . c19468_2md1 1 . 1 . 226 . 1 1 13 LYS HZ2 H -12.527 10.394 -10.984 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ2 . . . . . . . . . c19468_2md1 1 . 1 . 227 . 1 1 13 LYS HZ3 H -11.467 11.709 -10.917 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ3 . . . . . . . . . c19468_2md1 1 . 1 . 228 . 1 1 13 LYS N N -13.530 8.597 -6.122 . . . 1.0 . . . . . . . . . . . . A . 13 LYS N . . . . . . . . . c19468_2md1 1 . 1 . 229 . 1 1 13 LYS NZ N -12.467 11.427 -10.880 . . . 1.0 . . . . . . . . . . . . A . 13 LYS NZ . . . . . . . . . c19468_2md1 1 . 1 . 230 . 1 1 13 LYS O O -16.431 6.770 -7.159 . . . 1.0 . . . . . . . . . . . . A . 13 LYS O . . . . . . . . . c19468_2md1 1 . 1 . 231 . 1 1 14 ASN C C -14.781 4.044 -6.622 . . . 1.0 . . . . . . . . . . . . A . 14 ASN C . . . . . . . . . c19468_2md1 1 . 1 . 232 . 1 1 14 ASN CA C -14.438 4.954 -7.798 . . . 1.0 . . . . . . . . . . . . A . 14 ASN CA . . . . . . . . . c19468_2md1 1 . 1 . 233 . 1 1 14 ASN CB C -13.186 4.436 -8.509 . . . 1.0 . . . . . . . . . . . . A . 14 ASN CB . . . . . . . . . c19468_2md1 1 . 1 . 234 . 1 1 14 ASN CG C -12.981 5.085 -9.864 . . . 1.0 . . . . . . . . . . . . A . 14 ASN CG . . . . . . . . . c19468_2md1 1 . 1 . 235 . 1 1 14 ASN H H -13.320 6.669 -7.258 . . . 1.0 . . . . . . . . . . . . A . 14 ASN H . . . . . . . . . c19468_2md1 1 . 1 . 236 . 1 1 14 ASN HA H -15.263 4.951 -8.493 . . . 1.0 . . . . . . . . . . . . A . 14 ASN HA . . . . . . . . . c19468_2md1 1 . 1 . 237 . 1 1 14 ASN HB2 H -12.320 4.644 -7.897 . . . 1.0 . . . . . . . . . . . . A . 14 ASN HB2 . . . . . . . . . c19468_2md1 1 . 1 . 238 . 1 1 14 ASN HB3 H -13.274 3.369 -8.650 . . . 1.0 . . . . . . . . . . . . A . 14 ASN HB3 . . . . . . . . . c19468_2md1 1 . 1 . 239 . 1 1 14 ASN HD21 H -11.760 3.613 -10.411 . . . 1.0 . . . . . . . . . . . . A . 14 ASN HD21 . . . . . . . . . c19468_2md1 1 . 1 . 240 . 1 1 14 ASN HD22 H -12.022 4.850 -11.590 . . . 1.0 . . . . . . . . . . . . A . 14 ASN HD22 . . . . . . . . . c19468_2md1 1 . 1 . 241 . 1 1 14 ASN N N -14.234 6.327 -7.351 . . . 1.0 . . . . . . . . . . . . A . 14 ASN N . . . . . . . . . c19468_2md1 1 . 1 . 242 . 1 1 14 ASN ND2 N -12.173 4.452 -10.707 . . . 1.0 . . . . . . . . . . . . A . 14 ASN ND2 . . . . . . . . . c19468_2md1 1 . 1 . 243 . 1 1 14 ASN O O -15.316 2.951 -6.804 . . . 1.0 . . . . . . . . . . . . A . 14 ASN O . . . . . . . . . c19468_2md1 1 . 1 . 244 . 1 1 14 ASN OD1 O -13.542 6.143 -10.150 . . . 1.0 . . . . . . . . . . . . A . 14 ASN OD1 . . . . . . . . . c19468_2md1 1 . 1 . 245 . 1 1 15 LYS C C -15.991 4.261 -3.500 . . . 1.0 . . . . . . . . . . . . A . 15 LYS C . . . . . . . . . c19468_2md1 1 . 1 . 246 . 1 1 15 LYS CA C -14.746 3.734 -4.208 . . . 1.0 . . . . . . . . . . . . A . 15 LYS CA . . . . . . . . . c19468_2md1 1 . 1 . 247 . 1 1 15 LYS CB C -13.547 3.786 -3.259 . . . 1.0 . . . . . . . . . . . . A . 15 LYS CB . . . . . . . . . c19468_2md1 1 . 1 . 248 . 1 1 15 LYS CD C -12.239 2.139 -4.633 . . . 1.0 . . . . . . . . . . . . A . 15 LYS CD . . . . . . . . . c19468_2md1 1 . 1 . 249 . 1 1 15 LYS CE C -10.889 1.444 -4.536 . . . 1.0 . . . . . . . . . . . . A . 15 LYS CE . . . . . . . . . c19468_2md1 1 . 1 . 250 . 1 1 15 LYS CG C -12.221 3.490 -3.939 . . . 1.0 . . . . . . . . . . . . A . 15 LYS CG . . . . . . . . . c19468_2md1 1 . 1 . 251 . 1 1 15 LYS H H -14.044 5.384 -5.334 . . . 1.0 . . . . . . . . . . . . A . 15 LYS H . . . . . . . . . c19468_2md1 1 . 1 . 252 . 1 1 15 LYS HA H -14.920 2.710 -4.500 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HA . . . . . . . . . c19468_2md1 1 . 1 . 253 . 1 1 15 LYS HB2 H -13.491 4.772 -2.821 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HB2 . . . . . . . . . c19468_2md1 1 . 1 . 254 . 1 1 15 LYS HB3 H -13.694 3.060 -2.472 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HB3 . . . . . . . . . c19468_2md1 1 . 1 . 255 . 1 1 15 LYS HD2 H -12.986 1.514 -4.166 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HD2 . . . . . . . . . c19468_2md1 1 . 1 . 256 . 1 1 15 LYS HD3 H -12.487 2.282 -5.675 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HD3 . . . . . . . . . c19468_2md1 1 . 1 . 257 . 1 1 15 LYS HE2 H -10.920 0.542 -5.128 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HE2 . . . . . . . . . c19468_2md1 1 . 1 . 258 . 1 1 15 LYS HE3 H -10.130 2.106 -4.927 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HE3 . . . . . . . . . c19468_2md1 1 . 1 . 259 . 1 1 15 LYS HG2 H -12.024 4.257 -4.673 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HG2 . . . . . . . . . c19468_2md1 1 . 1 . 260 . 1 1 15 LYS HG3 H -11.437 3.492 -3.195 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HG3 . . . . . . . . . c19468_2md1 1 . 1 . 261 . 1 1 15 LYS HZ1 H -9.753 1.674 -2.799 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HZ1 . . . . . . . . . c19468_2md1 1 . 1 . 262 . 1 1 15 LYS HZ2 H -10.276 0.088 -3.071 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HZ2 . . . . . . . . . c19468_2md1 1 . 1 . 263 . 1 1 15 LYS HZ3 H -11.366 1.254 -2.511 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HZ3 . . . . . . . . . c19468_2md1 1 . 1 . 264 . 1 1 15 LYS N N -14.470 4.504 -5.415 . . . 1.0 . . . . . . . . . . . . A . 15 LYS N . . . . . . . . . c19468_2md1 1 . 1 . 265 . 1 1 15 LYS NZ N -10.547 1.091 -3.131 . . . 1.0 . . . . . . . . . . . . A . 15 LYS NZ . . . . . . . . . c19468_2md1 1 . 1 . 266 . 1 1 15 LYS O O -15.943 4.614 -2.322 . . . 1.0 . . . . . . . . . . . . A . 15 LYS O . . . . . . . . . c19468_2md1 1 . 1 . 267 . 1 1 16 SER C C -19.432 3.713 -3.720 . . . 1.0 . . . . . . . . . . . . A . 16 SER C . . . . . . . . . c19468_2md1 1 . 1 . 268 . 1 1 16 SER CA C -18.359 4.796 -3.667 . . . 1.0 . . . . . . . . . . . . A . 16 SER CA . . . . . . . . . c19468_2md1 1 . 1 . 269 . 1 1 16 SER CB C -18.833 6.037 -4.427 . . . 1.0 . . . . . . . . . . . . A . 16 SER CB . . . . . . . . . c19468_2md1 1 . 1 . 270 . 1 1 16 SER H H -17.077 4.015 -5.160 . . . 1.0 . . . . . . . . . . . . A . 16 SER H . . . . . . . . . c19468_2md1 1 . 1 . 271 . 1 1 16 SER HA H -18.183 5.061 -2.636 . . . 1.0 . . . . . . . . . . . . A . 16 SER HA . . . . . . . . . c19468_2md1 1 . 1 . 272 . 1 1 16 SER HB2 H -19.810 6.324 -4.068 . . . 1.0 . . . . . . . . . . . . A . 16 SER HB2 . . . . . . . . . c19468_2md1 1 . 1 . 273 . 1 1 16 SER HB3 H -18.136 6.845 -4.261 . . . 1.0 . . . . . . . . . . . . A . 16 SER HB3 . . . . . . . . . c19468_2md1 1 . 1 . 274 . 1 1 16 SER HG H -19.271 6.554 -6.265 . . . 1.0 . . . . . . . . . . . . A . 16 SER HG . . . . . . . . . c19468_2md1 1 . 1 . 275 . 1 1 16 SER N N -17.103 4.310 -4.226 . . . 1.0 . . . . . . . . . . . . A . 16 SER N . . . . . . . . . c19468_2md1 1 . 1 . 276 . 1 1 16 SER O O -20.617 4.004 -3.884 . . . 1.0 . . . . . . . . . . . . A . 16 SER O . . . . . . . . . c19468_2md1 1 . 1 . 277 . 1 1 16 SER OG O -18.916 5.782 -5.818 . . . 1.0 . . . . . . . . . . . . A . 16 SER OG . . . . . . . . . c19468_2md1 1 . 1 . 278 . 1 1 17 ARG C C -20.304 0.894 -2.200 . . . 1.0 . . . . . . . . . . . . A . 17 ARG C . . . . . . . . . c19468_2md1 1 . 1 . 279 . 1 1 17 ARG CA C -19.931 1.333 -3.613 . . . 1.0 . . . . . . . . . . . . A . 17 ARG CA . . . . . . . . . c19468_2md1 1 . 1 . 280 . 1 1 17 ARG CB C -19.310 0.161 -4.376 . . . 1.0 . . . . . . . . . . . . A . 17 ARG CB . . . . . . . . . c19468_2md1 1 . 1 . 281 . 1 1 17 ARG CD C -18.813 0.190 -6.839 . . . 1.0 . . . . . . . . . . . . A . 17 ARG CD . . . . . . . . . c19468_2md1 1 . 1 . 282 . 1 1 17 ARG CG C -19.877 -0.025 -5.774 . . . 1.0 . . . . . . . . . . . . A . 17 ARG CG . . . . . . . . . c19468_2md1 1 . 1 . 283 . 1 1 17 ARG CZ C -18.269 -0.628 -9.092 . . . 1.0 . . . . . . . . . . . . A . 17 ARG CZ . . . . . . . . . c19468_2md1 1 . 1 . 284 . 1 1 17 ARG H H -18.051 2.292 -3.453 . . . 1.0 . . . . . . . . . . . . A . 17 ARG H . . . . . . . . . c19468_2md1 1 . 1 . 285 . 1 1 17 ARG HA H -20.826 1.651 -4.127 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HA . . . . . . . . . c19468_2md1 1 . 1 . 286 . 1 1 17 ARG HB2 H -18.246 0.325 -4.461 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HB2 . . . . . . . . . c19468_2md1 1 . 1 . 287 . 1 1 17 ARG HB3 H -19.482 -0.747 -3.818 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HB3 . . . . . . . . . c19468_2md1 1 . 1 . 288 . 1 1 17 ARG HD2 H -18.863 1.214 -7.178 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HD2 . . . . . . . . . c19468_2md1 1 . 1 . 289 . 1 1 17 ARG HD3 H -17.843 0.003 -6.402 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HD3 . . . . . . . . . c19468_2md1 1 . 1 . 290 . 1 1 17 ARG HE H -19.699 -1.378 -7.922 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HE . . . . . . . . . c19468_2md1 1 . 1 . 291 . 1 1 17 ARG HG2 H -20.264 -1.029 -5.865 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HG2 . . . . . . . . . c19468_2md1 1 . 1 . 292 . 1 1 17 ARG HG3 H -20.675 0.686 -5.926 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HG3 . . . . . . . . . c19468_2md1 1 . 1 . 293 . 1 1 17 ARG HH11 H -17.137 0.919 -8.454 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HH11 . . . . . . . . . c19468_2md1 1 . 1 . 294 . 1 1 17 ARG HH12 H -16.764 0.332 -10.041 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HH12 . . . . . . . . . c19468_2md1 1 . 1 . 295 . 1 1 17 ARG HH21 H -19.217 -2.160 -10.010 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HH21 . . . . . . . . . c19468_2md1 1 . 1 . 296 . 1 1 17 ARG HH22 H -17.948 -1.418 -10.925 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HH22 . . . . . . . . . c19468_2md1 1 . 1 . 297 . 1 1 17 ARG N N -19.008 2.461 -3.580 . . . 1.0 . . . . . . . . . . . . A . 17 ARG N . . . . . . . . . c19468_2md1 1 . 1 . 298 . 1 1 17 ARG NE N -18.997 -0.698 -7.984 . . . 1.0 . . . . . . . . . . . . A . 17 ARG NE . . . . . . . . . c19468_2md1 1 . 1 . 299 . 1 1 17 ARG NH1 N -17.312 0.283 -9.205 . . . 1.0 . . . . . . . . . . . . A . 17 ARG NH1 . . . . . . . . . c19468_2md1 1 . 1 . 300 . 1 1 17 ARG NH2 N -18.497 -1.471 -10.091 . . . 1.0 . . . . . . . . . . . . A . 17 ARG NH2 . . . . . . . . . c19468_2md1 1 . 1 . 301 . 1 1 17 ARG O O -20.669 1.717 -1.361 . . . 1.0 . . . . . . . . . . . . A . 17 ARG O . . . . . . . . . c19468_2md1 1 . 2 . 302 . 1 1 1 TRP C C 2.557 0.449 -2.068 . . . 1.0 . . . . . . . . . . . . A . 1 TRP C . . . . . . . . . c19468_2md1 1 . 2 . 303 . 1 1 1 TRP CA C 2.667 -1.041 -1.767 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CA . . . . . . . . . c19468_2md1 1 . 2 . 304 . 1 1 1 TRP CB C 2.441 -1.851 -3.045 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CB . . . . . . . . . c19468_2md1 1 . 2 . 305 . 1 1 1 TRP CD1 C 4.940 -2.157 -3.524 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD1 . . . . . . . . . c19468_2md1 1 . 2 . 306 . 1 1 1 TRP CD2 C 3.694 -1.774 -5.345 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD2 . . . . . . . . . c19468_2md1 1 . 2 . 307 . 1 1 1 TRP CE2 C 5.037 -1.923 -5.742 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE2 . . . . . . . . . c19468_2md1 1 . 2 . 308 . 1 1 1 TRP CE3 C 2.726 -1.527 -6.322 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE3 . . . . . . . . . c19468_2md1 1 . 2 . 309 . 1 1 1 TRP CG C 3.654 -1.928 -3.922 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CG . . . . . . . . . c19468_2md1 1 . 2 . 310 . 1 1 1 TRP CH2 C 4.465 -1.589 -8.009 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CH2 . . . . . . . . . c19468_2md1 1 . 2 . 311 . 1 1 1 TRP CZ2 C 5.433 -1.831 -7.074 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ2 . . . . . . . . . c19468_2md1 1 . 2 . 312 . 1 1 1 TRP CZ3 C 3.121 -1.436 -7.643 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ3 . . . . . . . . . c19468_2md1 1 . 2 . 313 . 1 1 1 TRP H1 H 1.939 -2.168 -0.128 . . . 1.0 . . . . . . . . . . . . A . 1 TRP H1 . . . . . . . . . c19468_2md1 1 . 2 . 314 . 1 1 1 TRP HA H 3.658 -1.249 -1.391 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HA . . . . . . . . . c19468_2md1 1 . 2 . 315 . 1 1 1 TRP HB2 H 2.156 -2.858 -2.780 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB2 . . . . . . . . . c19468_2md1 1 . 2 . 316 . 1 1 1 TRP HB3 H 1.645 -1.393 -3.615 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB3 . . . . . . . . . c19468_2md1 1 . 2 . 317 . 1 1 1 TRP HD1 H 5.240 -2.313 -2.499 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HD1 . . . . . . . . . c19468_2md1 1 . 2 . 318 . 1 1 1 TRP HE1 H 6.746 -2.298 -4.586 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE1 . . . . . . . . . c19468_2md1 1 . 2 . 319 . 1 1 1 TRP HE3 H 1.685 -1.407 -6.059 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE3 . . . . . . . . . c19468_2md1 1 . 2 . 320 . 1 1 1 TRP HH2 H 4.728 -1.509 -9.053 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HH2 . . . . . . . . . c19468_2md1 1 . 2 . 321 . 1 1 1 TRP HZ2 H 6.465 -1.947 -7.372 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ2 . . . . . . . . . c19468_2md1 1 . 2 . 322 . 1 1 1 TRP HZ3 H 2.387 -1.245 -8.412 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ3 . . . . . . . . . c19468_2md1 1 . 2 . 323 . 1 1 1 TRP N N 1.709 -1.438 -0.741 . . . 1.0 . . . . . . . . . . . . A . 1 TRP N . . . . . . . . . c19468_2md1 1 . 2 . 324 . 1 1 1 TRP NE1 N 5.777 -2.155 -4.613 . . . 1.0 . . . . . . . . . . . . A . 1 TRP NE1 . . . . . . . . . c19468_2md1 1 . 2 . 325 . 1 1 1 TRP O O 1.586 0.900 -2.676 . . . 1.0 . . . . . . . . . . . . A . 1 TRP O . . . . . . . . . c19468_2md1 1 . 2 . 326 . 1 1 2 LYS C C 3.334 2.975 -3.335 . . . 1.0 . . . . . . . . . . . . A . 2 LYS C . . . . . . . . . c19468_2md1 1 . 2 . 327 . 1 1 2 LYS CA C 3.575 2.651 -1.864 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CA . . . . . . . . . c19468_2md1 1 . 2 . 328 . 1 1 2 LYS CB C 4.913 3.243 -1.413 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CB . . . . . . . . . c19468_2md1 1 . 2 . 329 . 1 1 2 LYS CD C 6.732 3.548 -3.119 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CD . . . . . . . . . c19468_2md1 1 . 2 . 330 . 1 1 2 LYS CE C 7.737 4.493 -2.479 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CE . . . . . . . . . c19468_2md1 1 . 2 . 331 . 1 1 2 LYS CG C 6.116 2.612 -2.092 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CG . . . . . . . . . c19468_2md1 1 . 2 . 332 . 1 1 2 LYS H H 4.305 0.793 -1.160 . . . 1.0 . . . . . . . . . . . . A . 2 LYS H . . . . . . . . . c19468_2md1 1 . 2 . 333 . 1 1 2 LYS HA H 2.782 3.088 -1.277 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HA . . . . . . . . . c19468_2md1 1 . 2 . 334 . 1 1 2 LYS HB2 H 4.916 4.301 -1.631 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB2 . . . . . . . . . c19468_2md1 1 . 2 . 335 . 1 1 2 LYS HB3 H 5.013 3.103 -0.347 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB3 . . . . . . . . . c19468_2md1 1 . 2 . 336 . 1 1 2 LYS HD2 H 7.236 2.960 -3.872 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD2 . . . . . . . . . c19468_2md1 1 . 2 . 337 . 1 1 2 LYS HD3 H 5.946 4.130 -3.579 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD3 . . . . . . . . . c19468_2md1 1 . 2 . 338 . 1 1 2 LYS HE2 H 7.481 4.620 -1.439 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE2 . . . . . . . . . c19468_2md1 1 . 2 . 339 . 1 1 2 LYS HE3 H 8.722 4.056 -2.556 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE3 . . . . . . . . . c19468_2md1 1 . 2 . 340 . 1 1 2 LYS HG2 H 6.859 2.378 -1.343 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG2 . . . . . . . . . c19468_2md1 1 . 2 . 341 . 1 1 2 LYS HG3 H 5.804 1.704 -2.588 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG3 . . . . . . . . . c19468_2md1 1 . 2 . 342 . 1 1 2 LYS HZ1 H 7.554 6.573 -2.446 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ1 . . . . . . . . . c19468_2md1 1 . 2 . 343 . 1 1 2 LYS HZ2 H 7.015 5.861 -3.882 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ2 . . . . . . . . . c19468_2md1 1 . 2 . 344 . 1 1 2 LYS HZ3 H 8.672 6.002 -3.579 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ3 . . . . . . . . . c19468_2md1 1 . 2 . 345 . 1 1 2 LYS N N 3.558 1.211 -1.639 . . . 1.0 . . . . . . . . . . . . A . 2 LYS N . . . . . . . . . c19468_2md1 1 . 2 . 346 . 1 1 2 LYS NZ N 7.745 5.826 -3.143 . . . 1.0 . . . . . . . . . . . . A . 2 LYS NZ . . . . . . . . . c19468_2md1 1 . 2 . 347 . 1 1 2 LYS O O 2.869 4.064 -3.673 . . . 1.0 . . . . . . . . . . . . A . 2 LYS O . . . . . . . . . c19468_2md1 1 . 2 . 348 . 1 1 3 LEU C C 1.994 2.092 -6.020 . . . 1.0 . . . . . . . . . . . . A . 3 LEU C . . . . . . . . . c19468_2md1 1 . 2 . 349 . 1 1 3 LEU CA C 3.467 2.206 -5.641 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CA . . . . . . . . . c19468_2md1 1 . 2 . 350 . 1 1 3 LEU CB C 4.287 1.174 -6.416 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CB . . . . . . . . . c19468_2md1 1 . 2 . 351 . 1 1 3 LEU CD1 C 4.880 2.853 -8.180 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CD1 . . . . . . . . . c19468_2md1 1 . 2 . 352 . 1 1 3 LEU CD2 C 6.566 2.217 -6.446 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CD2 . . . . . . . . . c19468_2md1 1 . 2 . 353 . 1 1 3 LEU CG C 5.404 1.730 -7.299 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CG . . . . . . . . . c19468_2md1 1 . 2 . 354 . 1 1 3 LEU H H 4.017 1.176 -3.876 . . . 1.0 . . . . . . . . . . . . A . 3 LEU H . . . . . . . . . c19468_2md1 1 . 2 . 355 . 1 1 3 LEU HA H 3.816 3.196 -5.896 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HA . . . . . . . . . c19468_2md1 1 . 2 . 356 . 1 1 3 LEU HB2 H 4.735 0.502 -5.700 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HB2 . . . . . . . . . c19468_2md1 1 . 2 . 357 . 1 1 3 LEU HB3 H 3.607 0.621 -7.049 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HB3 . . . . . . . . . c19468_2md1 1 . 2 . 358 . 1 1 3 LEU HD11 H 4.933 2.554 -9.215 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD11 . . . . . . . . . c19468_2md1 1 . 2 . 359 . 1 1 3 LEU HD12 H 5.480 3.739 -8.029 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD12 . . . . . . . . . c19468_2md1 1 . 2 . 360 . 1 1 3 LEU HD13 H 3.854 3.066 -7.918 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD13 . . . . . . . . . c19468_2md1 1 . 2 . 361 . 1 1 3 LEU HD21 H 6.905 1.414 -5.807 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD21 . . . . . . . . . c19468_2md1 1 . 2 . 362 . 1 1 3 LEU HD22 H 6.242 3.049 -5.838 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD22 . . . . . . . . . c19468_2md1 1 . 2 . 363 . 1 1 3 LEU HD23 H 7.376 2.534 -7.087 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD23 . . . . . . . . . c19468_2md1 1 . 2 . 364 . 1 1 3 LEU HG H 5.769 0.943 -7.945 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HG . . . . . . . . . c19468_2md1 1 . 2 . 365 . 1 1 3 LEU N N 3.651 2.023 -4.205 . . . 1.0 . . . . . . . . . . . . A . 3 LEU N . . . . . . . . . c19468_2md1 1 . 2 . 366 . 1 1 3 LEU O O 1.498 2.843 -6.861 . . . 1.0 . . . . . . . . . . . . A . 3 LEU O . . . . . . . . . c19468_2md1 1 . 2 . 367 . 1 1 4 LEU C C -0.979 1.889 -4.837 . . . 1.0 . . . . . . . . . . . . A . 4 LEU C . . . . . . . . . c19468_2md1 1 . 2 . 368 . 1 1 4 LEU CA C -0.119 0.938 -5.663 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CA . . . . . . . . . c19468_2md1 1 . 2 . 369 . 1 1 4 LEU CB C -0.505 -0.511 -5.359 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CB . . . . . . . . . c19468_2md1 1 . 2 . 370 . 1 1 4 LEU CD1 C -0.180 -0.783 -7.829 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD1 . . . . . . . . . c19468_2md1 1 . 2 . 371 . 1 1 4 LEU CD2 C -0.193 -2.795 -6.344 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD2 . . . . . . . . . c19468_2md1 1 . 2 . 372 . 1 1 4 LEU CG C -0.767 -1.404 -6.572 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CG . . . . . . . . . c19468_2md1 1 . 2 . 373 . 1 1 4 LEU H H 1.749 0.582 -4.733 . . . 1.0 . . . . . . . . . . . . A . 4 LEU H . . . . . . . . . c19468_2md1 1 . 2 . 374 . 1 1 4 LEU HA H -0.290 1.135 -6.711 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HA . . . . . . . . . c19468_2md1 1 . 2 . 375 . 1 1 4 LEU HB2 H 0.297 -0.954 -4.789 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB2 . . . . . . . . . c19468_2md1 1 . 2 . 376 . 1 1 4 LEU HB3 H -1.404 -0.494 -4.759 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB3 . . . . . . . . . c19468_2md1 1 . 2 . 377 . 1 1 4 LEU HD11 H -0.100 -1.536 -8.599 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD11 . . . . . . . . . c19468_2md1 1 . 2 . 378 . 1 1 4 LEU HD12 H 0.800 -0.386 -7.610 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD12 . . . . . . . . . c19468_2md1 1 . 2 . 379 . 1 1 4 LEU HD13 H -0.823 0.015 -8.171 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD13 . . . . . . . . . c19468_2md1 1 . 2 . 380 . 1 1 4 LEU HD21 H 0.671 -2.936 -6.975 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD21 . . . . . . . . . c19468_2md1 1 . 2 . 381 . 1 1 4 LEU HD22 H -0.941 -3.537 -6.585 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD22 . . . . . . . . . c19468_2md1 1 . 2 . 382 . 1 1 4 LEU HD23 H 0.096 -2.900 -5.308 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD23 . . . . . . . . . c19468_2md1 1 . 2 . 383 . 1 1 4 LEU HG H -1.835 -1.502 -6.716 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HG . . . . . . . . . c19468_2md1 1 . 2 . 384 . 1 1 4 LEU N N 1.299 1.149 -5.393 . . . 1.0 . . . . . . . . . . . . A . 4 LEU N . . . . . . . . . c19468_2md1 1 . 2 . 385 . 1 1 4 LEU O O -2.077 2.265 -5.247 . . . 1.0 . . . . . . . . . . . . A . 4 LEU O . . . . . . . . . c19468_2md1 1 . 2 . 386 . 1 1 5 SER C C -1.120 4.618 -3.303 . . . 1.0 . . . . . . . . . . . . A . 5 SER C . . . . . . . . . c19468_2md1 1 . 2 . 387 . 1 1 5 SER CA C -1.192 3.184 -2.787 . . . 1.0 . . . . . . . . . . . . A . 5 SER CA . . . . . . . . . c19468_2md1 1 . 2 . 388 . 1 1 5 SER CB C -0.620 3.110 -1.370 . . . 1.0 . . . . . . . . . . . . A . 5 SER CB . . . . . . . . . c19468_2md1 1 . 2 . 389 . 1 1 5 SER H H 0.410 1.943 -3.400 . . . 1.0 . . . . . . . . . . . . A . 5 SER H . . . . . . . . . c19468_2md1 1 . 2 . 390 . 1 1 5 SER HA H -2.226 2.873 -2.765 . . . 1.0 . . . . . . . . . . . . A . 5 SER HA . . . . . . . . . c19468_2md1 1 . 2 . 391 . 1 1 5 SER HB2 H 0.458 3.094 -1.420 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB2 . . . . . . . . . c19468_2md1 1 . 2 . 392 . 1 1 5 SER HB3 H -0.942 3.976 -0.809 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB3 . . . . . . . . . c19468_2md1 1 . 2 . 393 . 1 1 5 SER HG H -0.511 1.784 0.068 . . . 1.0 . . . . . . . . . . . . A . 5 SER HG . . . . . . . . . c19468_2md1 1 . 2 . 394 . 1 1 5 SER N N -0.470 2.277 -3.672 . . . 1.0 . . . . . . . . . . . . A . 5 SER N . . . . . . . . . c19468_2md1 1 . 2 . 395 . 1 1 5 SER O O -1.926 5.468 -2.924 . . . 1.0 . . . . . . . . . . . . A . 5 SER O . . . . . . . . . c19468_2md1 1 . 2 . 396 . 1 1 5 SER OG O -1.064 1.943 -0.701 . . . 1.0 . . . . . . . . . . . . A . 5 SER OG . . . . . . . . . c19468_2md1 1 . 2 . 397 . 1 1 6 LYS C C -0.554 6.282 -6.147 . . . 1.0 . . . . . . . . . . . . A . 6 LYS C . . . . . . . . . c19468_2md1 1 . 2 . 398 . 1 1 6 LYS CA C 0.032 6.210 -4.740 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CA . . . . . . . . . c19468_2md1 1 . 2 . 399 . 1 1 6 LYS CB C 1.517 6.576 -4.775 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CB . . . . . . . . . c19468_2md1 1 . 2 . 400 . 1 1 6 LYS CD C 2.312 6.639 -7.157 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CD . . . . . . . . . c19468_2md1 1 . 2 . 401 . 1 1 6 LYS CE C 3.710 6.703 -7.754 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CE . . . . . . . . . c19468_2md1 1 . 2 . 402 . 1 1 6 LYS CG C 2.297 5.851 -5.859 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CG . . . . . . . . . c19468_2md1 1 . 2 . 403 . 1 1 6 LYS H H 0.464 4.160 -4.433 . . . 1.0 . . . . . . . . . . . . A . 6 LYS H . . . . . . . . . c19468_2md1 1 . 2 . 404 . 1 1 6 LYS HA H -0.489 6.914 -4.110 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HA . . . . . . . . . c19468_2md1 1 . 2 . 405 . 1 1 6 LYS HB2 H 1.610 7.639 -4.945 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB2 . . . . . . . . . c19468_2md1 1 . 2 . 406 . 1 1 6 LYS HB3 H 1.958 6.333 -3.820 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB3 . . . . . . . . . c19468_2md1 1 . 2 . 407 . 1 1 6 LYS HD2 H 1.652 6.162 -7.866 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD2 . . . . . . . . . c19468_2md1 1 . 2 . 408 . 1 1 6 LYS HD3 H 1.968 7.645 -6.962 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD3 . . . . . . . . . c19468_2md1 1 . 2 . 409 . 1 1 6 LYS HE2 H 4.135 5.711 -7.749 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE2 . . . . . . . . . c19468_2md1 1 . 2 . 410 . 1 1 6 LYS HE3 H 3.637 7.058 -8.771 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE3 . . . . . . . . . c19468_2md1 1 . 2 . 411 . 1 1 6 LYS HG2 H 3.314 5.709 -5.524 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG2 . . . . . . . . . c19468_2md1 1 . 2 . 412 . 1 1 6 LYS HG3 H 1.837 4.889 -6.037 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG3 . . . . . . . . . c19468_2md1 1 . 2 . 413 . 1 1 6 LYS HZ1 H 5.233 8.128 -7.632 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ1 . . . . . . . . . c19468_2md1 1 . 2 . 414 . 1 1 6 LYS HZ2 H 5.177 7.069 -6.313 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ2 . . . . . . . . . c19468_2md1 1 . 2 . 415 . 1 1 6 LYS HZ3 H 4.032 8.306 -6.454 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ3 . . . . . . . . . c19468_2md1 1 . 2 . 416 . 1 1 6 LYS N N -0.148 4.880 -4.169 . . . 1.0 . . . . . . . . . . . . A . 6 LYS N . . . . . . . . . c19468_2md1 1 . 2 . 417 . 1 1 6 LYS NZ N 4.601 7.616 -6.985 . . . 1.0 . . . . . . . . . . . . A . 6 LYS NZ . . . . . . . . . c19468_2md1 1 . 2 . 418 . 1 1 6 LYS O O -0.867 7.363 -6.644 . . . 1.0 . . . . . . . . . . . . A . 6 LYS O . . . . . . . . . c19468_2md1 1 . 2 . 419 . 1 1 7 ALA C C -2.730 4.678 -8.099 . . . 1.0 . . . . . . . . . . . . A . 7 ALA C . . . . . . . . . c19468_2md1 1 . 2 . 420 . 1 1 7 ALA CA C -1.253 5.056 -8.129 . . . 1.0 . . . . . . . . . . . . A . 7 ALA CA . . . . . . . . . c19468_2md1 1 . 2 . 421 . 1 1 7 ALA CB C -0.468 4.061 -8.971 . . . 1.0 . . . . . . . . . . . . A . 7 ALA CB . . . . . . . . . c19468_2md1 1 . 2 . 422 . 1 1 7 ALA H H -0.433 4.295 -6.333 . . . 1.0 . . . . . . . . . . . . A . 7 ALA H . . . . . . . . . c19468_2md1 1 . 2 . 423 . 1 1 7 ALA HA H -1.150 6.032 -8.581 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HA . . . . . . . . . c19468_2md1 1 . 2 . 424 . 1 1 7 ALA HB1 H -0.614 3.065 -8.579 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB1 . . . . . . . . . c19468_2md1 1 . 2 . 425 . 1 1 7 ALA HB2 H -0.815 4.101 -9.993 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB2 . . . . . . . . . c19468_2md1 1 . 2 . 426 . 1 1 7 ALA HB3 H 0.582 4.310 -8.937 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB3 . . . . . . . . . c19468_2md1 1 . 2 . 427 . 1 1 7 ALA N N -0.701 5.124 -6.782 . . . 1.0 . . . . . . . . . . . . A . 7 ALA N . . . . . . . . . c19468_2md1 1 . 2 . 428 . 1 1 7 ALA O O -3.431 4.802 -9.103 . . . 1.0 . . . . . . . . . . . . A . 7 ALA O . . . . . . . . . c19468_2md1 1 . 2 . 429 . 1 1 8 GLN C C -5.346 4.823 -5.923 . . . 1.0 . . . . . . . . . . . . A . 8 GLN C . . . . . . . . . c19468_2md1 1 . 2 . 430 . 1 1 8 GLN CA C -4.588 3.818 -6.784 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CA . . . . . . . . . c19468_2md1 1 . 2 . 431 . 1 1 8 GLN CB C -4.675 2.424 -6.159 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CB . . . . . . . . . c19468_2md1 1 . 2 . 432 . 1 1 8 GLN CD C -6.140 0.376 -6.359 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CD . . . . . . . . . c19468_2md1 1 . 2 . 433 . 1 1 8 GLN CG C -6.089 1.869 -6.105 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CG . . . . . . . . . c19468_2md1 1 . 2 . 434 . 1 1 8 GLN H H -2.586 4.140 -6.179 . . . 1.0 . . . . . . . . . . . . A . 8 GLN H . . . . . . . . . c19468_2md1 1 . 2 . 435 . 1 1 8 GLN HA H -5.039 3.792 -7.765 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HA . . . . . . . . . c19468_2md1 1 . 2 . 436 . 1 1 8 GLN HB2 H -4.066 1.745 -6.738 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB2 . . . . . . . . . c19468_2md1 1 . 2 . 437 . 1 1 8 GLN HB3 H -4.290 2.470 -5.151 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB3 . . . . . . . . . c19468_2md1 1 . 2 . 438 . 1 1 8 GLN HE21 H -7.464 0.147 -4.894 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE21 . . . . . . . . . c19468_2md1 1 . 2 . 439 . 1 1 8 GLN HE22 H -7.003 -1.298 -5.722 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE22 . . . . . . . . . c19468_2md1 1 . 2 . 440 . 1 1 8 GLN HG2 H -6.502 2.066 -5.126 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG2 . . . . . . . . . c19468_2md1 1 . 2 . 441 . 1 1 8 GLN HG3 H -6.687 2.368 -6.853 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG3 . . . . . . . . . c19468_2md1 1 . 2 . 442 . 1 1 8 GLN N N -3.194 4.216 -6.943 . . . 1.0 . . . . . . . . . . . . A . 8 GLN N . . . . . . . . . c19468_2md1 1 . 2 . 443 . 1 1 8 GLN NE2 N -6.950 -0.330 -5.579 . . . 1.0 . . . . . . . . . . . . A . 8 GLN NE2 . . . . . . . . . c19468_2md1 1 . 2 . 444 . 1 1 8 GLN O O -6.564 4.954 -6.034 . . . 1.0 . . . . . . . . . . . . A . 8 GLN O . . . . . . . . . c19468_2md1 1 . 2 . 445 . 1 1 8 GLN OE1 O -5.458 -0.138 -7.246 . . . 1.0 . . . . . . . . . . . . A . 8 GLN OE1 . . . . . . . . . c19468_2md1 1 . 2 . 446 . 1 1 9 GLU C C -5.970 7.578 -4.988 . . . 1.0 . . . . . . . . . . . . A . 9 GLU C . . . . . . . . . c19468_2md1 1 . 2 . 447 . 1 1 9 GLU CA C -5.221 6.520 -4.183 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CA . . . . . . . . . c19468_2md1 1 . 2 . 448 . 1 1 9 GLU CB C -4.150 7.186 -3.316 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CB . . . . . . . . . c19468_2md1 1 . 2 . 449 . 1 1 9 GLU CD C -3.753 8.899 -1.503 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CD . . . . . . . . . c19468_2md1 1 . 2 . 450 . 1 1 9 GLU CG C -4.598 8.499 -2.697 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CG . . . . . . . . . c19468_2md1 1 . 2 . 451 . 1 1 9 GLU H H -3.649 5.378 -5.022 . . . 1.0 . . . . . . . . . . . . A . 9 GLU H . . . . . . . . . c19468_2md1 1 . 2 . 452 . 1 1 9 GLU HA H -5.924 6.009 -3.542 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HA . . . . . . . . . c19468_2md1 1 . 2 . 453 . 1 1 9 GLU HB2 H -3.877 6.509 -2.519 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HB2 . . . . . . . . . c19468_2md1 1 . 2 . 454 . 1 1 9 GLU HB3 H -3.280 7.378 -3.926 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HB3 . . . . . . . . . c19468_2md1 1 . 2 . 455 . 1 1 9 GLU HG2 H -4.530 9.276 -3.443 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HG2 . . . . . . . . . c19468_2md1 1 . 2 . 456 . 1 1 9 GLU HG3 H -5.624 8.399 -2.375 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HG3 . . . . . . . . . c19468_2md1 1 . 2 . 457 . 1 1 9 GLU N N -4.616 5.528 -5.064 . . . 1.0 . . . . . . . . . . . . A . 9 GLU N . . . . . . . . . c19468_2md1 1 . 2 . 458 . 1 1 9 GLU O O -6.922 8.187 -4.500 . . . 1.0 . . . . . . . . . . . . A . 9 GLU O . . . . . . . . . c19468_2md1 1 . 2 . 459 . 1 1 9 GLU OE1 O -4.057 8.443 -0.381 . . . 1.0 . . . . . . . . . . . . A . 9 GLU OE1 . . . . . . . . . c19468_2md1 1 . 2 . 460 . 1 1 9 GLU OE2 O -2.787 9.668 -1.691 . . . 1.0 . . . . . . . . . . . . A . 9 GLU OE2 . . . . . . . . . c19468_2md1 1 . 2 . 461 . 1 1 10 LYS C C -7.331 8.162 -7.856 . . . 1.0 . . . . . . . . . . . . A . 10 LYS C . . . . . . . . . c19468_2md1 1 . 2 . 462 . 1 1 10 LYS CA C -6.159 8.776 -7.099 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CA . . . . . . . . . c19468_2md1 1 . 2 . 463 . 1 1 10 LYS CB C -5.134 9.335 -8.089 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CB . . . . . . . . . c19468_2md1 1 . 2 . 464 . 1 1 10 LYS CD C -3.735 8.956 -10.141 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CD . . . . . . . . . c19468_2md1 1 . 2 . 465 . 1 1 10 LYS CE C -4.297 10.158 -10.883 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CE . . . . . . . . . c19468_2md1 1 . 2 . 466 . 1 1 10 LYS CG C -4.759 8.358 -9.191 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CG . . . . . . . . . c19468_2md1 1 . 2 . 467 . 1 1 10 LYS H H -4.767 7.276 -6.556 . . . 1.0 . . . . . . . . . . . . A . 10 LYS H . . . . . . . . . c19468_2md1 1 . 2 . 468 . 1 1 10 LYS HA H -6.526 9.582 -6.482 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HA . . . . . . . . . c19468_2md1 1 . 2 . 469 . 1 1 10 LYS HB2 H -5.542 10.223 -8.548 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB2 . . . . . . . . . c19468_2md1 1 . 2 . 470 . 1 1 10 LYS HB3 H -4.236 9.598 -7.550 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB3 . . . . . . . . . c19468_2md1 1 . 2 . 471 . 1 1 10 LYS HD2 H -2.871 9.269 -9.574 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD2 . . . . . . . . . c19468_2md1 1 . 2 . 472 . 1 1 10 LYS HD3 H -3.442 8.204 -10.860 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD3 . . . . . . . . . c19468_2md1 1 . 2 . 473 . 1 1 10 LYS HE2 H -4.199 9.988 -11.944 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE2 . . . . . . . . . c19468_2md1 1 . 2 . 474 . 1 1 10 LYS HE3 H -5.342 10.264 -10.630 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE3 . . . . . . . . . c19468_2md1 1 . 2 . 475 . 1 1 10 LYS HG2 H -4.343 7.468 -8.744 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG2 . . . . . . . . . c19468_2md1 1 . 2 . 476 . 1 1 10 LYS HG3 H -5.648 8.101 -9.750 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG3 . . . . . . . . . c19468_2md1 1 . 2 . 477 . 1 1 10 LYS HZ1 H -4.189 12.014 -9.928 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ1 . . . . . . . . . c19468_2md1 1 . 2 . 478 . 1 1 10 LYS HZ2 H -3.334 11.942 -11.386 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ2 . . . . . . . . . c19468_2md1 1 . 2 . 479 . 1 1 10 LYS HZ3 H -2.711 11.194 -10.003 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ3 . . . . . . . . . c19468_2md1 1 . 2 . 480 . 1 1 10 LYS N N -5.531 7.793 -6.224 . . . 1.0 . . . . . . . . . . . . A . 10 LYS N . . . . . . . . . c19468_2md1 1 . 2 . 481 . 1 1 10 LYS NZ N -3.583 11.415 -10.525 . . . 1.0 . . . . . . . . . . . . A . 10 LYS NZ . . . . . . . . . c19468_2md1 1 . 2 . 482 . 1 1 10 LYS O O -7.820 8.731 -8.832 . . . 1.0 . . . . . . . . . . . . A . 10 LYS O . . . . . . . . . c19468_2md1 1 . 2 . 483 . 1 1 11 PHE C C -10.040 6.099 -7.044 . . . 1.0 . . . . . . . . . . . . A . 11 PHE C . . . . . . . . . c19468_2md1 1 . 2 . 484 . 1 1 11 PHE CA C -8.896 6.306 -8.033 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CA . . . . . . . . . c19468_2md1 1 . 2 . 485 . 1 1 11 PHE CB C -8.438 4.957 -8.590 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CB . . . . . . . . . c19468_2md1 1 . 2 . 486 . 1 1 11 PHE CD1 C -6.302 5.561 -9.760 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CD1 . . . . . . . . . c19468_2md1 1 . 2 . 487 . 1 1 11 PHE CD2 C -8.102 4.697 -11.063 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CD2 . . . . . . . . . c19468_2md1 1 . 2 . 488 . 1 1 11 PHE CE1 C -5.527 5.671 -10.898 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CE1 . . . . . . . . . c19468_2md1 1 . 2 . 489 . 1 1 11 PHE CE2 C -7.331 4.804 -12.205 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CE2 . . . . . . . . . c19468_2md1 1 . 2 . 490 . 1 1 11 PHE CG C -7.597 5.074 -9.829 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CG . . . . . . . . . c19468_2md1 1 . 2 . 491 . 1 1 11 PHE CZ C -6.041 5.290 -12.122 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CZ . . . . . . . . . c19468_2md1 1 . 2 . 492 . 1 1 11 PHE H H -7.349 6.593 -6.616 . . . 1.0 . . . . . . . . . . . . A . 11 PHE H . . . . . . . . . c19468_2md1 1 . 2 . 493 . 1 1 11 PHE HA H -9.247 6.921 -8.847 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HA . . . . . . . . . c19468_2md1 1 . 2 . 494 . 1 1 11 PHE HB2 H -7.853 4.446 -7.840 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HB2 . . . . . . . . . c19468_2md1 1 . 2 . 495 . 1 1 11 PHE HB3 H -9.306 4.362 -8.831 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HB3 . . . . . . . . . c19468_2md1 1 . 2 . 496 . 1 1 11 PHE HD1 H -5.897 5.858 -8.803 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HD1 . . . . . . . . . c19468_2md1 1 . 2 . 497 . 1 1 11 PHE HD2 H -9.111 4.315 -11.128 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HD2 . . . . . . . . . c19468_2md1 1 . 2 . 498 . 1 1 11 PHE HE1 H -4.518 6.051 -10.831 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HE1 . . . . . . . . . c19468_2md1 1 . 2 . 499 . 1 1 11 PHE HE2 H -7.737 4.505 -13.160 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HE2 . . . . . . . . . c19468_2md1 1 . 2 . 500 . 1 1 11 PHE HZ H -5.438 5.376 -13.014 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HZ . . . . . . . . . c19468_2md1 1 . 2 . 501 . 1 1 11 PHE N N -7.780 6.997 -7.399 . . . 1.0 . . . . . . . . . . . . A . 11 PHE N . . . . . . . . . c19468_2md1 1 . 2 . 502 . 1 1 11 PHE O O -10.537 4.986 -6.877 . . . 1.0 . . . . . . . . . . . . A . 11 PHE O . . . . . . . . . c19468_2md1 1 . 2 . 503 . 1 1 12 GLY C C -12.865 7.526 -6.008 . . . 1.0 . . . . . . . . . . . . A . 12 GLY C . . . . . . . . . c19468_2md1 1 . 2 . 504 . 1 1 12 GLY CA C -11.533 7.097 -5.425 . . . 1.0 . . . . . . . . . . . . A . 12 GLY CA . . . . . . . . . c19468_2md1 1 . 2 . 505 . 1 1 12 GLY H H -10.019 8.042 -6.564 . . . 1.0 . . . . . . . . . . . . A . 12 GLY H . . . . . . . . . c19468_2md1 1 . 2 . 506 . 1 1 12 GLY HA2 H -11.615 6.077 -5.080 . . . 1.0 . . . . . . . . . . . . A . 12 GLY HA2 . . . . . . . . . c19468_2md1 1 . 2 . 507 . 1 1 12 GLY HA3 H -11.300 7.734 -4.584 . . . 1.0 . . . . . . . . . . . . A . 12 GLY HA3 . . . . . . . . . c19468_2md1 1 . 2 . 508 . 1 1 12 GLY N N -10.452 7.180 -6.390 . . . 1.0 . . . . . . . . . . . . A . 12 GLY N . . . . . . . . . c19468_2md1 1 . 2 . 509 . 1 1 12 GLY O O -13.709 8.082 -5.306 . . . 1.0 . . . . . . . . . . . . A . 12 GLY O . . . . . . . . . c19468_2md1 1 . 2 . 510 . 1 1 13 LYS C C -15.408 6.650 -7.636 . . . 1.0 . . . . . . . . . . . . A . 13 LYS C . . . . . . . . . c19468_2md1 1 . 2 . 511 . 1 1 13 LYS CA C -14.293 7.632 -7.977 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CA . . . . . . . . . c19468_2md1 1 . 2 . 512 . 1 1 13 LYS CB C -14.076 7.668 -9.492 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CB . . . . . . . . . c19468_2md1 1 . 2 . 513 . 1 1 13 LYS CD C -15.711 6.279 -10.798 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CD . . . . . . . . . c19468_2md1 1 . 2 . 514 . 1 1 13 LYS CE C -15.561 6.183 -12.308 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CE . . . . . . . . . c19468_2md1 1 . 2 . 515 . 1 1 13 LYS CG C -15.367 7.669 -10.291 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CG . . . . . . . . . c19468_2md1 1 . 2 . 516 . 1 1 13 LYS H H -12.344 6.823 -7.806 . . . 1.0 . . . . . . . . . . . . A . 13 LYS H . . . . . . . . . c19468_2md1 1 . 2 . 517 . 1 1 13 LYS HA H -14.580 8.616 -7.639 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HA . . . . . . . . . c19468_2md1 1 . 2 . 518 . 1 1 13 LYS HB2 H -13.521 8.560 -9.743 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB2 . . . . . . . . . c19468_2md1 1 . 2 . 519 . 1 1 13 LYS HB3 H -13.498 6.802 -9.782 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB3 . . . . . . . . . c19468_2md1 1 . 2 . 520 . 1 1 13 LYS HD2 H -15.047 5.563 -10.336 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD2 . . . . . . . . . c19468_2md1 1 . 2 . 521 . 1 1 13 LYS HD3 H -16.733 6.050 -10.531 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD3 . . . . . . . . . c19468_2md1 1 . 2 . 522 . 1 1 13 LYS HE2 H -14.590 6.563 -12.586 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE2 . . . . . . . . . c19468_2md1 1 . 2 . 523 . 1 1 13 LYS HE3 H -15.638 5.146 -12.599 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE3 . . . . . . . . . c19468_2md1 1 . 2 . 524 . 1 1 13 LYS HG2 H -16.171 8.019 -9.660 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG2 . . . . . . . . . c19468_2md1 1 . 2 . 525 . 1 1 13 LYS HG3 H -15.256 8.333 -11.137 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG3 . . . . . . . . . c19468_2md1 1 . 2 . 526 . 1 1 13 LYS HZ1 H -16.171 7.729 -13.574 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ1 . . . . . . . . . c19468_2md1 1 . 2 . 527 . 1 1 13 LYS HZ2 H -17.269 7.385 -12.334 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ2 . . . . . . . . . c19468_2md1 1 . 2 . 528 . 1 1 13 LYS HZ3 H -17.142 6.346 -13.663 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ3 . . . . . . . . . c19468_2md1 1 . 2 . 529 . 1 1 13 LYS N N -13.054 7.269 -7.298 . . . 1.0 . . . . . . . . . . . . A . 13 LYS N . . . . . . . . . c19468_2md1 1 . 2 . 530 . 1 1 13 LYS NZ N -16.609 6.966 -13.020 . . . 1.0 . . . . . . . . . . . . A . 13 LYS NZ . . . . . . . . . c19468_2md1 1 . 2 . 531 . 1 1 13 LYS O O -16.588 6.997 -7.677 . . . 1.0 . . . . . . . . . . . . A . 13 LYS O . . . . . . . . . c19468_2md1 1 . 2 . 532 . 1 1 14 ASN C C -15.820 3.946 -5.501 . . . 1.0 . . . . . . . . . . . . A . 14 ASN C . . . . . . . . . c19468_2md1 1 . 2 . 533 . 1 1 14 ASN CA C -15.996 4.389 -6.950 . . . 1.0 . . . . . . . . . . . . A . 14 ASN CA . . . . . . . . . c19468_2md1 1 . 2 . 534 . 1 1 14 ASN CB C -15.851 3.187 -7.884 . . . 1.0 . . . . . . . . . . . . A . 14 ASN CB . . . . . . . . . c19468_2md1 1 . 2 . 535 . 1 1 14 ASN CG C -16.569 3.390 -9.204 . . . 1.0 . . . . . . . . . . . . A . 14 ASN CG . . . . . . . . . c19468_2md1 1 . 2 . 536 . 1 1 14 ASN H H -14.072 5.205 -7.285 . . . 1.0 . . . . . . . . . . . . A . 14 ASN H . . . . . . . . . c19468_2md1 1 . 2 . 537 . 1 1 14 ASN HA H -16.984 4.808 -7.068 . . . 1.0 . . . . . . . . . . . . A . 14 ASN HA . . . . . . . . . c19468_2md1 1 . 2 . 538 . 1 1 14 ASN HB2 H -14.803 3.023 -8.089 . . . 1.0 . . . . . . . . . . . . A . 14 ASN HB2 . . . . . . . . . c19468_2md1 1 . 2 . 539 . 1 1 14 ASN HB3 H -16.260 2.312 -7.403 . . . 1.0 . . . . . . . . . . . . A . 14 ASN HB3 . . . . . . . . . c19468_2md1 1 . 2 . 540 . 1 1 14 ASN HD21 H -15.012 2.649 -10.194 . . . 1.0 . . . . . . . . . . . . A . 14 ASN HD21 . . . . . . . . . c19468_2md1 1 . 2 . 541 . 1 1 14 ASN HD22 H -16.353 3.145 -11.165 . . . 1.0 . . . . . . . . . . . . A . 14 ASN HD22 . . . . . . . . . c19468_2md1 1 . 2 . 542 . 1 1 14 ASN N N -15.027 5.422 -7.299 . . . 1.0 . . . . . . . . . . . . A . 14 ASN N . . . . . . . . . c19468_2md1 1 . 2 . 543 . 1 1 14 ASN ND2 N -15.912 3.024 -10.298 . . . 1.0 . . . . . . . . . . . . A . 14 ASN ND2 . . . . . . . . . c19468_2md1 1 . 2 . 544 . 1 1 14 ASN O O -15.637 2.761 -5.220 . . . 1.0 . . . . . . . . . . . . A . 14 ASN O . . . . . . . . . c19468_2md1 1 . 2 . 545 . 1 1 14 ASN OD1 O -17.703 3.870 -9.239 . . . 1.0 . . . . . . . . . . . . A . 14 ASN OD1 . . . . . . . . . c19468_2md1 1 . 2 . 546 . 1 1 15 LYS C C -16.812 3.655 -2.684 . . . 1.0 . . . . . . . . . . . . A . 15 LYS C . . . . . . . . . c19468_2md1 1 . 2 . 547 . 1 1 15 LYS CA C -15.727 4.615 -3.162 . . . 1.0 . . . . . . . . . . . . A . 15 LYS CA . . . . . . . . . c19468_2md1 1 . 2 . 548 . 1 1 15 LYS CB C -15.782 5.909 -2.348 . . . 1.0 . . . . . . . . . . . . A . 15 LYS CB . . . . . . . . . c19468_2md1 1 . 2 . 549 . 1 1 15 LYS CD C -13.641 6.947 -1.543 . . . 1.0 . . . . . . . . . . . . A . 15 LYS CD . . . . . . . . . c19468_2md1 1 . 2 . 550 . 1 1 15 LYS CE C -12.820 7.274 -0.305 . . . 1.0 . . . . . . . . . . . . A . 15 LYS CE . . . . . . . . . c19468_2md1 1 . 2 . 551 . 1 1 15 LYS CG C -14.758 5.967 -1.227 . . . 1.0 . . . . . . . . . . . . A . 15 LYS CG . . . . . . . . . c19468_2md1 1 . 2 . 552 . 1 1 15 LYS H H -16.027 5.831 -4.869 . . . 1.0 . . . . . . . . . . . . A . 15 LYS H . . . . . . . . . c19468_2md1 1 . 2 . 553 . 1 1 15 LYS HA H -14.763 4.150 -3.019 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HA . . . . . . . . . c19468_2md1 1 . 2 . 554 . 1 1 15 LYS HB2 H -15.608 6.745 -3.010 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HB2 . . . . . . . . . c19468_2md1 1 . 2 . 555 . 1 1 15 LYS HB3 H -16.767 6.005 -1.912 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HB3 . . . . . . . . . c19468_2md1 1 . 2 . 556 . 1 1 15 LYS HD2 H -12.991 6.512 -2.288 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HD2 . . . . . . . . . c19468_2md1 1 . 2 . 557 . 1 1 15 LYS HD3 H -14.073 7.860 -1.930 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HD3 . . . . . . . . . c19468_2md1 1 . 2 . 558 . 1 1 15 LYS HE2 H -13.485 7.619 0.471 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HE2 . . . . . . . . . c19468_2md1 1 . 2 . 559 . 1 1 15 LYS HE3 H -12.317 6.377 0.024 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HE3 . . . . . . . . . c19468_2md1 1 . 2 . 560 . 1 1 15 LYS HG2 H -15.250 6.280 -0.318 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HG2 . . . . . . . . . c19468_2md1 1 . 2 . 561 . 1 1 15 LYS HG3 H -14.333 4.983 -1.089 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HG3 . . . . . . . . . c19468_2md1 1 . 2 . 562 . 1 1 15 LYS HZ1 H -11.951 9.139 0.058 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HZ1 . . . . . . . . . c19468_2md1 1 . 2 . 563 . 1 1 15 LYS HZ2 H -11.880 8.653 -1.562 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HZ2 . . . . . . . . . c19468_2md1 1 . 2 . 564 . 1 1 15 LYS HZ3 H -10.847 7.951 -0.422 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HZ3 . . . . . . . . . c19468_2md1 1 . 2 . 565 . 1 1 15 LYS N N -15.878 4.905 -4.583 . . . 1.0 . . . . . . . . . . . . A . 15 LYS N . . . . . . . . . c19468_2md1 1 . 2 . 566 . 1 1 15 LYS NZ N -11.803 8.328 -0.577 . . . 1.0 . . . . . . . . . . . . A . 15 LYS NZ . . . . . . . . . c19468_2md1 1 . 2 . 567 . 1 1 15 LYS O O -16.521 2.536 -2.260 . . . 1.0 . . . . . . . . . . . . A . 15 LYS O . . . . . . . . . c19468_2md1 1 . 2 . 568 . 1 1 16 SER C C -19.227 1.962 -3.099 . . . 1.0 . . . . . . . . . . . . A . 16 SER C . . . . . . . . . c19468_2md1 1 . 2 . 569 . 1 1 16 SER CA C -19.191 3.279 -2.331 . . . 1.0 . . . . . . . . . . . . A . 16 SER CA . . . . . . . . . c19468_2md1 1 . 2 . 570 . 1 1 16 SER CB C -20.504 4.037 -2.533 . . . 1.0 . . . . . . . . . . . . A . 16 SER CB . . . . . . . . . c19468_2md1 1 . 2 . 571 . 1 1 16 SER H H -18.230 5.000 -3.106 . . . 1.0 . . . . . . . . . . . . A . 16 SER H . . . . . . . . . c19468_2md1 1 . 2 . 572 . 1 1 16 SER HA H -19.067 3.066 -1.280 . . . 1.0 . . . . . . . . . . . . A . 16 SER HA . . . . . . . . . c19468_2md1 1 . 2 . 573 . 1 1 16 SER HB2 H -20.693 4.149 -3.590 . . . 1.0 . . . . . . . . . . . . A . 16 SER HB2 . . . . . . . . . c19468_2md1 1 . 2 . 574 . 1 1 16 SER HB3 H -21.312 3.479 -2.081 . . . 1.0 . . . . . . . . . . . . A . 16 SER HB3 . . . . . . . . . c19468_2md1 1 . 2 . 575 . 1 1 16 SER HG H -21.340 5.643 -1.784 . . . 1.0 . . . . . . . . . . . . A . 16 SER HG . . . . . . . . . c19468_2md1 1 . 2 . 576 . 1 1 16 SER N N -18.063 4.099 -2.758 . . . 1.0 . . . . . . . . . . . . A . 16 SER N . . . . . . . . . c19468_2md1 1 . 2 . 577 . 1 1 16 SER O O -19.080 0.887 -2.517 . . . 1.0 . . . . . . . . . . . . A . 16 SER O . . . . . . . . . c19468_2md1 1 . 2 . 578 . 1 1 16 SER OG O -20.448 5.323 -1.940 . . . 1.0 . . . . . . . . . . . . A . 16 SER OG . . . . . . . . . c19468_2md1 1 . 2 . 579 . 1 1 17 ARG C C -18.126 0.170 -5.308 . . . 1.0 . . . . . . . . . . . . A . 17 ARG C . . . . . . . . . c19468_2md1 1 . 2 . 580 . 1 1 17 ARG CA C -19.481 0.870 -5.260 . . . 1.0 . . . . . . . . . . . . A . 17 ARG CA . . . . . . . . . c19468_2md1 1 . 2 . 581 . 1 1 17 ARG CB C -19.921 1.252 -6.674 . . . 1.0 . . . . . . . . . . . . A . 17 ARG CB . . . . . . . . . c19468_2md1 1 . 2 . 582 . 1 1 17 ARG CD C -21.737 2.979 -6.863 . . . 1.0 . . . . . . . . . . . . A . 17 ARG CD . . . . . . . . . c19468_2md1 1 . 2 . 583 . 1 1 17 ARG CG C -21.416 1.494 -6.802 . . . 1.0 . . . . . . . . . . . . A . 17 ARG CG . . . . . . . . . c19468_2md1 1 . 2 . 584 . 1 1 17 ARG CZ C -22.307 4.679 -8.544 . . . 1.0 . . . . . . . . . . . . A . 17 ARG CZ . . . . . . . . . c19468_2md1 1 . 2 . 585 . 1 1 17 ARG H H -19.534 2.939 -4.817 . . . 1.0 . . . . . . . . . . . . A . 17 ARG H . . . . . . . . . c19468_2md1 1 . 2 . 586 . 1 1 17 ARG HA H -20.207 0.193 -4.837 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HA . . . . . . . . . c19468_2md1 1 . 2 . 587 . 1 1 17 ARG HB2 H -19.406 2.155 -6.968 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HB2 . . . . . . . . . c19468_2md1 1 . 2 . 588 . 1 1 17 ARG HB3 H -19.648 0.455 -7.350 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HB3 . . . . . . . . . c19468_2md1 1 . 2 . 589 . 1 1 17 ARG HD2 H -22.587 3.176 -6.226 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HD2 . . . . . . . . . c19468_2md1 1 . 2 . 590 . 1 1 17 ARG HD3 H -20.882 3.533 -6.503 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HD3 . . . . . . . . . c19468_2md1 1 . 2 . 591 . 1 1 17 ARG HE H -22.068 2.736 -8.924 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HE . . . . . . . . . c19468_2md1 1 . 2 . 592 . 1 1 17 ARG HG2 H -21.771 1.023 -7.707 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HG2 . . . . . . . . . c19468_2md1 1 . 2 . 593 . 1 1 17 ARG HG3 H -21.916 1.060 -5.949 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HG3 . . . . . . . . . c19468_2md1 1 . 2 . 594 . 1 1 17 ARG HH11 H -22.080 5.385 -6.665 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HH11 . . . . . . . . . c19468_2md1 1 . 2 . 595 . 1 1 17 ARG HH12 H -22.482 6.573 -7.860 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HH12 . . . . . . . . . c19468_2md1 1 . 2 . 596 . 1 1 17 ARG HH21 H -22.597 4.290 -10.507 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HH21 . . . . . . . . . c19468_2md1 1 . 2 . 597 . 1 1 17 ARG HH22 H -22.777 5.949 -10.045 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HH22 . . . . . . . . . c19468_2md1 1 . 2 . 598 . 1 1 17 ARG N N -19.424 2.054 -4.410 . . . 1.0 . . . . . . . . . . . . A . 17 ARG N . . . . . . . . . c19468_2md1 1 . 2 . 599 . 1 1 17 ARG NE N -22.049 3.417 -8.220 . . . 1.0 . . . . . . . . . . . . A . 17 ARG NE . . . . . . . . . c19468_2md1 1 . 2 . 600 . 1 1 17 ARG NH1 N -22.289 5.623 -7.613 . . . 1.0 . . . . . . . . . . . . A . 17 ARG NH1 . . . . . . . . . c19468_2md1 1 . 2 . 601 . 1 1 17 ARG NH2 N -22.583 4.999 -9.802 . . . 1.0 . . . . . . . . . . . . A . 17 ARG NH2 . . . . . . . . . c19468_2md1 1 . 2 . 602 . 1 1 17 ARG O O -17.156 0.710 -5.842 . . . 1.0 . . . . . . . . . . . . A . 17 ARG O . . . . . . . . . c19468_2md1 1 . 3 . 603 . 1 1 1 TRP C C 2.468 1.204 -1.975 . . . 1.0 . . . . . . . . . . . . A . 1 TRP C . . . . . . . . . c19468_2md1 1 . 3 . 604 . 1 1 1 TRP CA C 2.901 -0.217 -1.634 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CA . . . . . . . . . c19468_2md1 1 . 3 . 605 . 1 1 1 TRP CB C 3.166 -1.005 -2.918 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CB . . . . . . . . . c19468_2md1 1 . 3 . 606 . 1 1 1 TRP CD1 C 5.701 -0.632 -2.853 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD1 . . . . . . . . . c19468_2md1 1 . 3 . 607 . 1 1 1 TRP CD2 C 4.804 -0.511 -4.902 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD2 . . . . . . . . . c19468_2md1 1 . 3 . 608 . 1 1 1 TRP CE2 C 6.191 -0.290 -5.005 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE2 . . . . . . . . . c19468_2md1 1 . 3 . 609 . 1 1 1 TRP CE3 C 4.030 -0.484 -6.065 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE3 . . . . . . . . . c19468_2md1 1 . 3 . 610 . 1 1 1 TRP CG C 4.511 -0.729 -3.517 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CG . . . . . . . . . c19468_2md1 1 . 3 . 611 . 1 1 1 TRP CH2 C 6.035 -0.022 -7.346 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CH2 . . . . . . . . . c19468_2md1 1 . 3 . 612 . 1 1 1 TRP CZ2 C 6.817 -0.044 -6.224 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ2 . . . . . . . . . c19468_2md1 1 . 3 . 613 . 1 1 1 TRP CZ3 C 4.652 -0.239 -7.274 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ3 . . . . . . . . . c19468_2md1 1 . 3 . 614 . 1 1 1 TRP H1 H 1.963 -0.865 0.151 . . . 1.0 . . . . . . . . . . . . A . 1 TRP H1 . . . . . . . . . c19468_2md1 1 . 3 . 615 . 1 1 1 TRP HA H 3.812 -0.175 -1.054 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HA . . . . . . . . . c19468_2md1 1 . 3 . 616 . 1 1 1 TRP HB2 H 3.107 -2.061 -2.703 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB2 . . . . . . . . . c19468_2md1 1 . 3 . 617 . 1 1 1 TRP HB3 H 2.414 -0.748 -3.650 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB3 . . . . . . . . . c19468_2md1 1 . 3 . 618 . 1 1 1 TRP HD1 H 5.812 -0.747 -1.786 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HD1 . . . . . . . . . c19468_2md1 1 . 3 . 619 . 1 1 1 TRP HE1 H 7.661 -0.256 -3.508 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE1 . . . . . . . . . c19468_2md1 1 . 3 . 620 . 1 1 1 TRP HE3 H 2.963 -0.648 -6.030 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE3 . . . . . . . . . c19468_2md1 1 . 3 . 621 . 1 1 1 TRP HH2 H 6.479 0.165 -8.312 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HH2 . . . . . . . . . c19468_2md1 1 . 3 . 622 . 1 1 1 TRP HZ2 H 7.882 0.125 -6.296 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ2 . . . . . . . . . c19468_2md1 1 . 3 . 623 . 1 1 1 TRP HZ3 H 4.070 -0.214 -8.184 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ3 . . . . . . . . . c19468_2md1 1 . 3 . 624 . 1 1 1 TRP N N 1.890 -0.890 -0.827 . . . 1.0 . . . . . . . . . . . . A . 1 TRP N . . . . . . . . . c19468_2md1 1 . 3 . 625 . 1 1 1 TRP NE1 N 6.715 -0.368 -3.742 . . . 1.0 . . . . . . . . . . . . A . 1 TRP NE1 . . . . . . . . . c19468_2md1 1 . 3 . 626 . 1 1 1 TRP O O 1.562 1.412 -2.782 . . . 1.0 . . . . . . . . . . . . A . 1 TRP O . . . . . . . . . c19468_2md1 1 . 3 . 627 . 1 1 2 LYS C C 2.798 3.895 -3.087 . . . 1.0 . . . . . . . . . . . . A . 2 LYS C . . . . . . . . . c19468_2md1 1 . 3 . 628 . 1 1 2 LYS CA C 2.805 3.585 -1.594 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CA . . . . . . . . . c19468_2md1 1 . 3 . 629 . 1 1 2 LYS CB C 3.816 4.486 -0.880 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CB . . . . . . . . . c19468_2md1 1 . 3 . 630 . 1 1 2 LYS CD C 5.925 3.437 -0.008 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CD . . . . . . . . . c19468_2md1 1 . 3 . 631 . 1 1 2 LYS CE C 7.415 3.736 0.050 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CE . . . . . . . . . c19468_2md1 1 . 3 . 632 . 1 1 2 LYS CG C 5.262 4.135 -1.184 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CG . . . . . . . . . c19468_2md1 1 . 3 . 633 . 1 1 2 LYS H H 3.834 1.954 -0.722 . . . 1.0 . . . . . . . . . . . . A . 2 LYS H . . . . . . . . . c19468_2md1 1 . 3 . 634 . 1 1 2 LYS HA H 1.821 3.776 -1.194 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HA . . . . . . . . . c19468_2md1 1 . 3 . 635 . 1 1 2 LYS HB2 H 3.644 5.508 -1.182 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB2 . . . . . . . . . c19468_2md1 1 . 3 . 636 . 1 1 2 LYS HB3 H 3.664 4.403 0.186 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB3 . . . . . . . . . c19468_2md1 1 . 3 . 637 . 1 1 2 LYS HD2 H 5.465 3.777 0.908 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD2 . . . . . . . . . c19468_2md1 1 . 3 . 638 . 1 1 2 LYS HD3 H 5.785 2.370 -0.109 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD3 . . . . . . . . . c19468_2md1 1 . 3 . 639 . 1 1 2 LYS HE2 H 7.913 2.922 0.554 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE2 . . . . . . . . . c19468_2md1 1 . 3 . 640 . 1 1 2 LYS HE3 H 7.792 3.820 -0.958 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE3 . . . . . . . . . c19468_2md1 1 . 3 . 641 . 1 1 2 LYS HG2 H 5.293 3.480 -2.041 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG2 . . . . . . . . . c19468_2md1 1 . 3 . 642 . 1 1 2 LYS HG3 H 5.805 5.044 -1.403 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG3 . . . . . . . . . c19468_2md1 1 . 3 . 643 . 1 1 2 LYS HZ1 H 7.722 4.828 1.805 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ1 . . . . . . . . . c19468_2md1 1 . 3 . 644 . 1 1 2 LYS HZ2 H 6.958 5.706 0.576 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ2 . . . . . . . . . c19468_2md1 1 . 3 . 645 . 1 1 2 LYS HZ3 H 8.617 5.389 0.484 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ3 . . . . . . . . . c19468_2md1 1 . 3 . 646 . 1 1 2 LYS N N 3.121 2.182 -1.355 . . . 1.0 . . . . . . . . . . . . A . 2 LYS N . . . . . . . . . c19468_2md1 1 . 3 . 647 . 1 1 2 LYS NZ N 7.698 5.003 0.780 . . . 1.0 . . . . . . . . . . . . A . 2 LYS NZ . . . . . . . . . c19468_2md1 1 . 3 . 648 . 1 1 2 LYS O O 2.141 4.837 -3.533 . . . 1.0 . . . . . . . . . . . . A . 2 LYS O . . . . . . . . . c19468_2md1 1 . 3 . 649 . 1 1 3 LEU C C 2.327 2.806 -5.980 . . . 1.0 . . . . . . . . . . . . A . 3 LEU C . . . . . . . . . c19468_2md1 1 . 3 . 650 . 1 1 3 LEU CA C 3.606 3.284 -5.301 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CA . . . . . . . . . c19468_2md1 1 . 3 . 651 . 1 1 3 LEU CB C 4.811 2.532 -5.869 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CB . . . . . . . . . c19468_2md1 1 . 3 . 652 . 1 1 3 LEU CD1 C 5.303 4.377 -7.492 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CD1 . . . . . . . . . c19468_2md1 1 . 3 . 653 . 1 1 3 LEU CD2 C 6.688 4.133 -5.424 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CD2 . . . . . . . . . c19468_2md1 1 . 3 . 654 . 1 1 3 LEU CG C 5.905 3.395 -6.499 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CG . . . . . . . . . c19468_2md1 1 . 3 . 655 . 1 1 3 LEU H H 4.031 2.362 -3.443 . . . 1.0 . . . . . . . . . . . . A . 3 LEU H . . . . . . . . . c19468_2md1 1 . 3 . 656 . 1 1 3 LEU HA H 3.728 4.339 -5.491 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HA . . . . . . . . . c19468_2md1 1 . 3 . 657 . 1 1 3 LEU HB2 H 5.258 1.967 -5.065 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HB2 . . . . . . . . . c19468_2md1 1 . 3 . 658 . 1 1 3 LEU HB3 H 4.448 1.851 -6.626 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HB3 . . . . . . . . . c19468_2md1 1 . 3 . 659 . 1 1 3 LEU HD11 H 5.622 5.379 -7.245 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD11 . . . . . . . . . c19468_2md1 1 . 3 . 660 . 1 1 3 LEU HD12 H 4.226 4.320 -7.447 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD12 . . . . . . . . . c19468_2md1 1 . 3 . 661 . 1 1 3 LEU HD13 H 5.635 4.129 -8.490 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD13 . . . . . . . . . c19468_2md1 1 . 3 . 662 . 1 1 3 LEU HD21 H 6.029 4.809 -4.899 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD21 . . . . . . . . . c19468_2md1 1 . 3 . 663 . 1 1 3 LEU HD22 H 7.488 4.694 -5.883 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD22 . . . . . . . . . c19468_2md1 1 . 3 . 664 . 1 1 3 LEU HD23 H 7.102 3.419 -4.726 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD23 . . . . . . . . . c19468_2md1 1 . 3 . 665 . 1 1 3 LEU HG H 6.593 2.757 -7.037 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HG . . . . . . . . . c19468_2md1 1 . 3 . 666 . 1 1 3 LEU N N 3.530 3.096 -3.856 . . . 1.0 . . . . . . . . . . . . A . 3 LEU N . . . . . . . . . c19468_2md1 1 . 3 . 667 . 1 1 3 LEU O O 1.836 3.437 -6.917 . . . 1.0 . . . . . . . . . . . . A . 3 LEU O . . . . . . . . . c19468_2md1 1 . 3 . 668 . 1 1 4 LEU C C -0.665 1.789 -5.451 . . . 1.0 . . . . . . . . . . . . A . 4 LEU C . . . . . . . . . c19468_2md1 1 . 3 . 669 . 1 1 4 LEU CA C 0.566 1.127 -6.061 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CA . . . . . . . . . c19468_2md1 1 . 3 . 670 . 1 1 4 LEU CB C 0.519 -0.383 -5.822 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CB . . . . . . . . . c19468_2md1 1 . 3 . 671 . 1 1 4 LEU CD1 C 1.412 -0.462 -8.163 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD1 . . . . . . . . . c19468_2md1 1 . 3 . 672 . 1 1 4 LEU CD2 C 1.618 -2.466 -6.680 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD2 . . . . . . . . . c19468_2md1 1 . 3 . 673 . 1 1 4 LEU CG C 0.759 -1.264 -7.048 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CG . . . . . . . . . c19468_2md1 1 . 3 . 674 . 1 1 4 LEU H H 2.227 1.231 -4.754 . . . 1.0 . . . . . . . . . . . . A . 4 LEU H . . . . . . . . . c19468_2md1 1 . 3 . 675 . 1 1 4 LEU HA H 0.571 1.315 -7.125 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HA . . . . . . . . . c19468_2md1 1 . 3 . 676 . 1 1 4 LEU HB2 H 1.272 -0.625 -5.088 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB2 . . . . . . . . . c19468_2md1 1 . 3 . 677 . 1 1 4 LEU HB3 H -0.458 -0.623 -5.426 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB3 . . . . . . . . . c19468_2md1 1 . 3 . 678 . 1 1 4 LEU HD11 H 1.847 -1.136 -8.885 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD11 . . . . . . . . . c19468_2md1 1 . 3 . 679 . 1 1 4 LEU HD12 H 2.184 0.168 -7.748 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD12 . . . . . . . . . c19468_2md1 1 . 3 . 680 . 1 1 4 LEU HD13 H 0.667 0.153 -8.647 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD13 . . . . . . . . . c19468_2md1 1 . 3 . 681 . 1 1 4 LEU HD21 H 2.599 -2.354 -7.116 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD21 . . . . . . . . . c19468_2md1 1 . 3 . 682 . 1 1 4 LEU HD22 H 1.156 -3.366 -7.059 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD22 . . . . . . . . . c19468_2md1 1 . 3 . 683 . 1 1 4 LEU HD23 H 1.705 -2.531 -5.605 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD23 . . . . . . . . . c19468_2md1 1 . 3 . 684 . 1 1 4 LEU HG H -0.191 -1.630 -7.413 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HG . . . . . . . . . c19468_2md1 1 . 3 . 685 . 1 1 4 LEU N N 1.791 1.689 -5.501 . . . 1.0 . . . . . . . . . . . . A . 4 LEU N . . . . . . . . . c19468_2md1 1 . 3 . 686 . 1 1 4 LEU O O -1.713 1.884 -6.091 . . . 1.0 . . . . . . . . . . . . A . 4 LEU O . . . . . . . . . c19468_2md1 1 . 3 . 687 . 1 1 5 SER C C -1.832 4.325 -4.024 . . . 1.0 . . . . . . . . . . . . A . 5 SER C . . . . . . . . . c19468_2md1 1 . 3 . 688 . 1 1 5 SER CA C -1.633 2.901 -3.514 . . . 1.0 . . . . . . . . . . . . A . 5 SER CA . . . . . . . . . c19468_2md1 1 . 3 . 689 . 1 1 5 SER CB C -1.371 2.918 -2.006 . . . 1.0 . . . . . . . . . . . . A . 5 SER CB . . . . . . . . . c19468_2md1 1 . 3 . 690 . 1 1 5 SER H H 0.330 2.143 -3.753 . . . 1.0 . . . . . . . . . . . . A . 5 SER H . . . . . . . . . c19468_2md1 1 . 3 . 691 . 1 1 5 SER HA H -2.531 2.333 -3.708 . . . 1.0 . . . . . . . . . . . . A . 5 SER HA . . . . . . . . . c19468_2md1 1 . 3 . 692 . 1 1 5 SER HB2 H -0.341 3.185 -1.826 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB2 . . . . . . . . . c19468_2md1 1 . 3 . 693 . 1 1 5 SER HB3 H -2.019 3.647 -1.540 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB3 . . . . . . . . . c19468_2md1 1 . 3 . 694 . 1 1 5 SER HG H -2.078 1.762 -0.592 . . . 1.0 . . . . . . . . . . . . A . 5 SER HG . . . . . . . . . c19468_2md1 1 . 3 . 695 . 1 1 5 SER N N -0.531 2.248 -4.211 . . . 1.0 . . . . . . . . . . . . A . 5 SER N . . . . . . . . . c19468_2md1 1 . 3 . 696 . 1 1 5 SER O O -2.893 4.921 -3.838 . . . 1.0 . . . . . . . . . . . . A . 5 SER O . . . . . . . . . c19468_2md1 1 . 3 . 697 . 1 1 5 SER OG O -1.623 1.649 -1.430 . . . 1.0 . . . . . . . . . . . . A . 5 SER OG . . . . . . . . . c19468_2md1 1 . 3 . 698 . 1 1 6 LYS C C -1.135 6.194 -6.708 . . . 1.0 . . . . . . . . . . . . A . 6 LYS C . . . . . . . . . c19468_2md1 1 . 3 . 699 . 1 1 6 LYS CA C -0.862 6.218 -5.208 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CA . . . . . . . . . c19468_2md1 1 . 3 . 700 . 1 1 6 LYS CB C 0.448 6.957 -4.929 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CB . . . . . . . . . c19468_2md1 1 . 3 . 701 . 1 1 6 LYS CD C 1.673 7.328 -7.091 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CD . . . . . . . . . c19468_2md1 1 . 3 . 702 . 1 1 6 LYS CE C 3.100 7.759 -7.395 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CE . . . . . . . . . c19468_2md1 1 . 3 . 703 . 1 1 6 LYS CG C 1.600 6.509 -5.813 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CG . . . . . . . . . c19468_2md1 1 . 3 . 704 . 1 1 6 LYS H H 0.017 4.339 -4.785 . . . 1.0 . . . . . . . . . . . . A . 6 LYS H . . . . . . . . . c19468_2md1 1 . 3 . 705 . 1 1 6 LYS HA H -1.670 6.736 -4.715 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HA . . . . . . . . . c19468_2md1 1 . 3 . 706 . 1 1 6 LYS HB2 H 0.292 8.014 -5.086 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB2 . . . . . . . . . c19468_2md1 1 . 3 . 707 . 1 1 6 LYS HB3 H 0.728 6.793 -3.898 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB3 . . . . . . . . . c19468_2md1 1 . 3 . 708 . 1 1 6 LYS HD2 H 1.306 6.731 -7.912 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD2 . . . . . . . . . c19468_2md1 1 . 3 . 709 . 1 1 6 LYS HD3 H 1.056 8.209 -6.979 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD3 . . . . . . . . . c19468_2md1 1 . 3 . 710 . 1 1 6 LYS HE2 H 3.766 7.264 -6.706 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE2 . . . . . . . . . c19468_2md1 1 . 3 . 711 . 1 1 6 LYS HE3 H 3.343 7.464 -8.406 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE3 . . . . . . . . . c19468_2md1 1 . 3 . 712 . 1 1 6 LYS HG2 H 2.526 6.626 -5.269 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG2 . . . . . . . . . c19468_2md1 1 . 3 . 713 . 1 1 6 LYS HG3 H 1.460 5.469 -6.070 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG3 . . . . . . . . . c19468_2md1 1 . 3 . 714 . 1 1 6 LYS HZ1 H 3.402 9.490 -6.266 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ1 . . . . . . . . . c19468_2md1 1 . 3 . 715 . 1 1 6 LYS HZ2 H 2.436 9.725 -7.635 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ2 . . . . . . . . . c19468_2md1 1 . 3 . 716 . 1 1 6 LYS HZ3 H 4.109 9.542 -7.801 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ3 . . . . . . . . . c19468_2md1 1 . 3 . 717 . 1 1 6 LYS N N -0.803 4.864 -4.668 . . . 1.0 . . . . . . . . . . . . A . 6 LYS N . . . . . . . . . c19468_2md1 1 . 3 . 718 . 1 1 6 LYS NZ N 3.274 9.232 -7.265 . . . 1.0 . . . . . . . . . . . . A . 6 LYS NZ . . . . . . . . . c19468_2md1 1 . 3 . 719 . 1 1 6 LYS O O -1.607 7.178 -7.278 . . . 1.0 . . . . . . . . . . . . A . 6 LYS O . . . . . . . . . c19468_2md1 1 . 3 . 720 . 1 1 7 ALA C C -2.353 4.162 -9.057 . . . 1.0 . . . . . . . . . . . . A . 7 ALA C . . . . . . . . . c19468_2md1 1 . 3 . 721 . 1 1 7 ALA CA C -1.055 4.912 -8.775 . . . 1.0 . . . . . . . . . . . . A . 7 ALA CA . . . . . . . . . c19468_2md1 1 . 3 . 722 . 1 1 7 ALA CB C 0.122 4.191 -9.414 . . . 1.0 . . . . . . . . . . . . A . 7 ALA CB . . . . . . . . . c19468_2md1 1 . 3 . 723 . 1 1 7 ALA H H -0.465 4.315 -6.832 . . . 1.0 . . . . . . . . . . . . A . 7 ALA H . . . . . . . . . c19468_2md1 1 . 3 . 724 . 1 1 7 ALA HA H -1.120 5.899 -9.209 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HA . . . . . . . . . c19468_2md1 1 . 3 . 725 . 1 1 7 ALA HB1 H -0.002 4.180 -10.487 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB1 . . . . . . . . . c19468_2md1 1 . 3 . 726 . 1 1 7 ALA HB2 H 1.038 4.705 -9.162 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB2 . . . . . . . . . c19468_2md1 1 . 3 . 727 . 1 1 7 ALA HB3 H 0.166 3.177 -9.046 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB3 . . . . . . . . . c19468_2md1 1 . 3 . 728 . 1 1 7 ALA N N -0.838 5.064 -7.342 . . . 1.0 . . . . . . . . . . . . A . 7 ALA N . . . . . . . . . c19468_2md1 1 . 3 . 729 . 1 1 7 ALA O O -2.834 4.141 -10.189 . . . 1.0 . . . . . . . . . . . . A . 7 ALA O . . . . . . . . . c19468_2md1 1 . 3 . 730 . 1 1 8 GLN C C -5.315 3.536 -7.501 . . . 1.0 . . . . . . . . . . . . A . 8 GLN C . . . . . . . . . c19468_2md1 1 . 3 . 731 . 1 1 8 GLN CA C -4.155 2.796 -8.158 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CA . . . . . . . . . c19468_2md1 1 . 3 . 732 . 1 1 8 GLN CB C -4.005 1.405 -7.538 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CB . . . . . . . . . c19468_2md1 1 . 3 . 733 . 1 1 8 GLN CD C -4.808 -0.969 -7.858 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CD . . . . . . . . . c19468_2md1 1 . 3 . 734 . 1 1 8 GLN CG C -5.196 0.495 -7.790 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CG . . . . . . . . . c19468_2md1 1 . 3 . 735 . 1 1 8 GLN H H -2.482 3.602 -7.142 . . . 1.0 . . . . . . . . . . . . A . 8 GLN H . . . . . . . . . c19468_2md1 1 . 3 . 736 . 1 1 8 GLN HA H -4.363 2.690 -9.211 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HA . . . . . . . . . c19468_2md1 1 . 3 . 737 . 1 1 8 GLN HB2 H -3.125 0.934 -7.950 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB2 . . . . . . . . . c19468_2md1 1 . 3 . 738 . 1 1 8 GLN HB3 H -3.880 1.512 -6.470 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB3 . . . . . . . . . c19468_2md1 1 . 3 . 739 . 1 1 8 GLN HE21 H -6.343 -1.455 -6.692 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE21 . . . . . . . . . c19468_2md1 1 . 3 . 740 . 1 1 8 GLN HE22 H -5.350 -2.769 -7.214 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE22 . . . . . . . . . c19468_2md1 1 . 3 . 741 . 1 1 8 GLN HG2 H -5.908 0.625 -6.988 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG2 . . . . . . . . . c19468_2md1 1 . 3 . 742 . 1 1 8 GLN HG3 H -5.655 0.776 -8.726 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG3 . . . . . . . . . c19468_2md1 1 . 3 . 743 . 1 1 8 GLN N N -2.913 3.548 -8.020 . . . 1.0 . . . . . . . . . . . . A . 8 GLN N . . . . . . . . . c19468_2md1 1 . 3 . 744 . 1 1 8 GLN NE2 N -5.577 -1.817 -7.186 . . . 1.0 . . . . . . . . . . . . A . 8 GLN NE2 . . . . . . . . . c19468_2md1 1 . 3 . 745 . 1 1 8 GLN O O -6.472 3.358 -7.882 . . . 1.0 . . . . . . . . . . . . A . 8 GLN O . . . . . . . . . c19468_2md1 1 . 3 . 746 . 1 1 8 GLN OE1 O -3.828 -1.333 -8.508 . . . 1.0 . . . . . . . . . . . . A . 8 GLN OE1 . . . . . . . . . c19468_2md1 1 . 3 . 747 . 1 1 9 GLU C C -6.808 6.009 -6.765 . . . 1.0 . . . . . . . . . . . . A . 9 GLU C . . . . . . . . . c19468_2md1 1 . 3 . 748 . 1 1 9 GLU CA C -6.016 5.130 -5.801 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CA . . . . . . . . . c19468_2md1 1 . 3 . 749 . 1 1 9 GLU CB C -5.371 5.996 -4.717 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CB . . . . . . . . . c19468_2md1 1 . 3 . 750 . 1 1 9 GLU CD C -5.671 7.854 -3.032 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CD . . . . . . . . . c19468_2md1 1 . 3 . 751 . 1 1 9 GLU CG C -6.279 7.098 -4.198 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CG . . . . . . . . . c19468_2md1 1 . 3 . 752 . 1 1 9 GLU H H -4.058 4.463 -6.252 . . . 1.0 . . . . . . . . . . . . A . 9 GLU H . . . . . . . . . c19468_2md1 1 . 3 . 753 . 1 1 9 GLU HA H -6.692 4.430 -5.333 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HA . . . . . . . . . c19468_2md1 1 . 3 . 754 . 1 1 9 GLU HB2 H -5.093 5.365 -3.886 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HB2 . . . . . . . . . c19468_2md1 1 . 3 . 755 . 1 1 9 GLU HB3 H -4.480 6.454 -5.122 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HB3 . . . . . . . . . c19468_2md1 1 . 3 . 756 . 1 1 9 GLU HG2 H -6.471 7.797 -4.999 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HG2 . . . . . . . . . c19468_2md1 1 . 3 . 757 . 1 1 9 GLU HG3 H -7.210 6.657 -3.875 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HG3 . . . . . . . . . c19468_2md1 1 . 3 . 758 . 1 1 9 GLU N N -4.998 4.365 -6.511 . . . 1.0 . . . . . . . . . . . . A . 9 GLU N . . . . . . . . . c19468_2md1 1 . 3 . 759 . 1 1 9 GLU O O -7.951 6.376 -6.493 . . . 1.0 . . . . . . . . . . . . A . 9 GLU O . . . . . . . . . c19468_2md1 1 . 3 . 760 . 1 1 9 GLU OE1 O -5.062 7.206 -2.156 . . . 1.0 . . . . . . . . . . . . A . 9 GLU OE1 . . . . . . . . . c19468_2md1 1 . 3 . 761 . 1 1 9 GLU OE2 O -5.804 9.096 -2.997 . . . 1.0 . . . . . . . . . . . . A . 9 GLU OE2 . . . . . . . . . c19468_2md1 1 . 3 . 762 . 1 1 10 LYS C C -7.685 6.333 -9.845 . . . 1.0 . . . . . . . . . . . . A . 10 LYS C . . . . . . . . . c19468_2md1 1 . 3 . 763 . 1 1 10 LYS CA C -6.836 7.177 -8.900 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CA . . . . . . . . . c19468_2md1 1 . 3 . 764 . 1 1 10 LYS CB C -5.786 7.954 -9.697 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CB . . . . . . . . . c19468_2md1 1 . 3 . 765 . 1 1 10 LYS CD C -4.696 7.360 -11.881 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CD . . . . . . . . . c19468_2md1 1 . 3 . 766 . 1 1 10 LYS CE C -3.906 8.630 -12.160 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CE . . . . . . . . . c19468_2md1 1 . 3 . 767 . 1 1 10 LYS CG C -4.769 7.065 -10.392 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CG . . . . . . . . . c19468_2md1 1 . 3 . 768 . 1 1 10 LYS H H -5.279 6.019 -8.054 . . . 1.0 . . . . . . . . . . . . A . 10 LYS H . . . . . . . . . c19468_2md1 1 . 3 . 769 . 1 1 10 LYS HA H -7.478 7.878 -8.388 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HA . . . . . . . . . c19468_2md1 1 . 3 . 770 . 1 1 10 LYS HB2 H -6.287 8.547 -10.448 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB2 . . . . . . . . . c19468_2md1 1 . 3 . 771 . 1 1 10 LYS HB3 H -5.256 8.614 -9.025 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB3 . . . . . . . . . c19468_2md1 1 . 3 . 772 . 1 1 10 LYS HD2 H -4.213 6.533 -12.380 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD2 . . . . . . . . . c19468_2md1 1 . 3 . 773 . 1 1 10 LYS HD3 H -5.699 7.479 -12.266 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD3 . . . . . . . . . c19468_2md1 1 . 3 . 774 . 1 1 10 LYS HE2 H -4.572 9.476 -12.085 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE2 . . . . . . . . . c19468_2md1 1 . 3 . 775 . 1 1 10 LYS HE3 H -3.125 8.721 -11.420 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE3 . . . . . . . . . c19468_2md1 1 . 3 . 776 . 1 1 10 LYS HG2 H -3.797 7.235 -9.954 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG2 . . . . . . . . . c19468_2md1 1 . 3 . 777 . 1 1 10 LYS HG3 H -5.054 6.032 -10.253 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG3 . . . . . . . . . c19468_2md1 1 . 3 . 778 . 1 1 10 LYS HZ1 H -4.033 8.655 -14.245 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ1 . . . . . . . . . c19468_2md1 1 . 3 . 779 . 1 1 10 LYS HZ2 H -2.738 7.744 -13.647 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ2 . . . . . . . . . c19468_2md1 1 . 3 . 780 . 1 1 10 LYS HZ3 H -2.661 9.433 -13.632 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ3 . . . . . . . . . c19468_2md1 1 . 3 . 781 . 1 1 10 LYS N N -6.191 6.343 -7.894 . . . 1.0 . . . . . . . . . . . . A . 10 LYS N . . . . . . . . . c19468_2md1 1 . 3 . 782 . 1 1 10 LYS NZ N -3.292 8.615 -13.516 . . . 1.0 . . . . . . . . . . . . A . 10 LYS NZ . . . . . . . . . c19468_2md1 1 . 3 . 783 . 1 1 10 LYS O O -8.116 6.804 -10.898 . . . 1.0 . . . . . . . . . . . . A . 10 LYS O . . . . . . . . . c19468_2md1 1 . 3 . 784 . 1 1 11 PHE C C -9.936 3.675 -9.501 . . . 1.0 . . . . . . . . . . . . A . 11 PHE C . . . . . . . . . c19468_2md1 1 . 3 . 785 . 1 1 11 PHE CA C -8.719 4.172 -10.276 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CA . . . . . . . . . c19468_2md1 1 . 3 . 786 . 1 1 11 PHE CB C -7.869 2.983 -10.731 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CB . . . . . . . . . c19468_2md1 1 . 3 . 787 . 1 1 11 PHE CD1 C -7.361 4.038 -12.950 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CD1 . . . . . . . . . c19468_2md1 1 . 3 . 788 . 1 1 11 PHE CD2 C -5.604 2.903 -11.806 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CD2 . . . . . . . . . c19468_2md1 1 . 3 . 789 . 1 1 11 PHE CE1 C -6.495 4.343 -13.983 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CE1 . . . . . . . . . c19468_2md1 1 . 3 . 790 . 1 1 11 PHE CE2 C -4.733 3.206 -12.836 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CE2 . . . . . . . . . c19468_2md1 1 . 3 . 791 . 1 1 11 PHE CG C -6.926 3.315 -11.851 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CG . . . . . . . . . c19468_2md1 1 . 3 . 792 . 1 1 11 PHE CZ C -5.179 3.928 -13.925 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CZ . . . . . . . . . c19468_2md1 1 . 3 . 793 . 1 1 11 PHE H H -7.550 4.764 -8.613 . . . 1.0 . . . . . . . . . . . . A . 11 PHE H . . . . . . . . . c19468_2md1 1 . 3 . 794 . 1 1 11 PHE HA H -9.057 4.715 -11.145 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HA . . . . . . . . . c19468_2md1 1 . 3 . 795 . 1 1 11 PHE HB2 H -7.282 2.630 -9.897 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HB2 . . . . . . . . . c19468_2md1 1 . 3 . 796 . 1 1 11 PHE HB3 H -8.522 2.192 -11.067 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HB3 . . . . . . . . . c19468_2md1 1 . 3 . 797 . 1 1 11 PHE HD1 H -8.390 4.364 -12.996 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HD1 . . . . . . . . . c19468_2md1 1 . 3 . 798 . 1 1 11 PHE HD2 H -5.253 2.339 -10.953 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HD2 . . . . . . . . . c19468_2md1 1 . 3 . 799 . 1 1 11 PHE HE1 H -6.847 4.908 -14.834 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HE1 . . . . . . . . . c19468_2md1 1 . 3 . 800 . 1 1 11 PHE HE2 H -3.704 2.880 -12.787 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HE2 . . . . . . . . . c19468_2md1 1 . 3 . 801 . 1 1 11 PHE HZ H -4.501 4.165 -14.731 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HZ . . . . . . . . . c19468_2md1 1 . 3 . 802 . 1 1 11 PHE N N -7.921 5.082 -9.463 . . . 1.0 . . . . . . . . . . . . A . 11 PHE N . . . . . . . . . c19468_2md1 1 . 3 . 803 . 1 1 11 PHE O O -10.998 3.439 -10.076 . . . 1.0 . . . . . . . . . . . . A . 11 PHE O . . . . . . . . . c19468_2md1 1 . 3 . 804 . 1 1 12 GLY C C -11.360 4.112 -6.400 . . . 1.0 . . . . . . . . . . . . A . 12 GLY C . . . . . . . . . c19468_2md1 1 . 3 . 805 . 1 1 12 GLY CA C -10.864 3.048 -7.358 . . . 1.0 . . . . . . . . . . . . A . 12 GLY CA . . . . . . . . . c19468_2md1 1 . 3 . 806 . 1 1 12 GLY H H -8.903 3.720 -7.787 . . . 1.0 . . . . . . . . . . . . A . 12 GLY H . . . . . . . . . c19468_2md1 1 . 3 . 807 . 1 1 12 GLY HA2 H -11.681 2.741 -7.994 . . . 1.0 . . . . . . . . . . . . A . 12 GLY HA2 . . . . . . . . . c19468_2md1 1 . 3 . 808 . 1 1 12 GLY HA3 H -10.526 2.195 -6.787 . . . 1.0 . . . . . . . . . . . . A . 12 GLY HA3 . . . . . . . . . c19468_2md1 1 . 3 . 809 . 1 1 12 GLY N N -9.772 3.517 -8.191 . . . 1.0 . . . . . . . . . . . . A . 12 GLY N . . . . . . . . . c19468_2md1 1 . 3 . 810 . 1 1 12 GLY O O -11.599 3.837 -5.223 . . . 1.0 . . . . . . . . . . . . A . 12 GLY O . . . . . . . . . c19468_2md1 1 . 3 . 811 . 1 1 13 LYS C C -13.491 6.351 -5.853 . . . 1.0 . . . . . . . . . . . . A . 13 LYS C . . . . . . . . . c19468_2md1 1 . 3 . 812 . 1 1 13 LYS CA C -11.986 6.443 -6.082 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CA . . . . . . . . . c19468_2md1 1 . 3 . 813 . 1 1 13 LYS CB C -11.642 7.777 -6.749 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CB . . . . . . . . . c19468_2md1 1 . 3 . 814 . 1 1 13 LYS CD C -13.605 9.318 -7.032 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CD . . . . . . . . . c19468_2md1 1 . 3 . 815 . 1 1 13 LYS CE C -13.446 10.692 -7.666 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CE . . . . . . . . . c19468_2md1 1 . 3 . 816 . 1 1 13 LYS CG C -12.403 8.959 -6.174 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CG . . . . . . . . . c19468_2md1 1 . 3 . 817 . 1 1 13 LYS H H -11.309 5.490 -7.847 . . . 1.0 . . . . . . . . . . . . A . 13 LYS H . . . . . . . . . c19468_2md1 1 . 3 . 818 . 1 1 13 LYS HA H -11.484 6.388 -5.128 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HA . . . . . . . . . c19468_2md1 1 . 3 . 819 . 1 1 13 LYS HB2 H -10.585 7.964 -6.629 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB2 . . . . . . . . . c19468_2md1 1 . 3 . 820 . 1 1 13 LYS HB3 H -11.868 7.708 -7.803 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB3 . . . . . . . . . c19468_2md1 1 . 3 . 821 . 1 1 13 LYS HD2 H -13.710 8.583 -7.816 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD2 . . . . . . . . . c19468_2md1 1 . 3 . 822 . 1 1 13 LYS HD3 H -14.491 9.317 -6.414 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD3 . . . . . . . . . c19468_2md1 1 . 3 . 823 . 1 1 13 LYS HE2 H -13.478 11.439 -6.888 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE2 . . . . . . . . . c19468_2md1 1 . 3 . 824 . 1 1 13 LYS HE3 H -12.490 10.734 -8.167 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE3 . . . . . . . . . c19468_2md1 1 . 3 . 825 . 1 1 13 LYS HG2 H -12.746 8.706 -5.182 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG2 . . . . . . . . . c19468_2md1 1 . 3 . 826 . 1 1 13 LYS HG3 H -11.741 9.811 -6.123 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG3 . . . . . . . . . c19468_2md1 1 . 3 . 827 . 1 1 13 LYS HZ1 H -15.361 10.393 -8.447 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ1 . . . . . . . . . c19468_2md1 1 . 3 . 828 . 1 1 13 LYS HZ2 H -14.193 10.756 -9.616 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ2 . . . . . . . . . c19468_2md1 1 . 3 . 829 . 1 1 13 LYS HZ3 H -14.793 11.978 -8.612 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ3 . . . . . . . . . c19468_2md1 1 . 3 . 830 . 1 1 13 LYS N N -11.515 5.333 -6.902 . . . 1.0 . . . . . . . . . . . . A . 13 LYS N . . . . . . . . . c19468_2md1 1 . 3 . 831 . 1 1 13 LYS NZ N -14.524 10.974 -8.654 . . . 1.0 . . . . . . . . . . . . A . 13 LYS NZ . . . . . . . . . c19468_2md1 1 . 3 . 832 . 1 1 13 LYS O O -14.007 6.849 -4.854 . . . 1.0 . . . . . . . . . . . . A . 13 LYS O . . . . . . . . . c19468_2md1 1 . 3 . 833 . 1 1 14 ASN C C -15.990 4.259 -5.953 . . . 1.0 . . . . . . . . . . . . A . 14 ASN C . . . . . . . . . c19468_2md1 1 . 3 . 834 . 1 1 14 ASN CA C -15.635 5.551 -6.683 . . . 1.0 . . . . . . . . . . . . A . 14 ASN CA . . . . . . . . . c19468_2md1 1 . 3 . 835 . 1 1 14 ASN CB C -16.268 5.554 -8.075 . . . 1.0 . . . . . . . . . . . . A . 14 ASN CB . . . . . . . . . c19468_2md1 1 . 3 . 836 . 1 1 14 ASN CG C -17.742 5.910 -8.039 . . . 1.0 . . . . . . . . . . . . A . 14 ASN CG . . . . . . . . . c19468_2md1 1 . 3 . 837 . 1 1 14 ASN H H -13.720 5.333 -7.559 . . . 1.0 . . . . . . . . . . . . A . 14 ASN H . . . . . . . . . c19468_2md1 1 . 3 . 838 . 1 1 14 ASN HA H -16.021 6.386 -6.119 . . . 1.0 . . . . . . . . . . . . A . 14 ASN HA . . . . . . . . . c19468_2md1 1 . 3 . 839 . 1 1 14 ASN HB2 H -15.758 6.278 -8.694 . . . 1.0 . . . . . . . . . . . . A . 14 ASN HB2 . . . . . . . . . c19468_2md1 1 . 3 . 840 . 1 1 14 ASN HB3 H -16.164 4.574 -8.515 . . . 1.0 . . . . . . . . . . . . A . 14 ASN HB3 . . . . . . . . . c19468_2md1 1 . 3 . 841 . 1 1 14 ASN HD21 H -17.573 6.890 -9.762 . . . 1.0 . . . . . . . . . . . . A . 14 ASN HD21 . . . . . . . . . c19468_2md1 1 . 3 . 842 . 1 1 14 ASN HD22 H -19.150 6.876 -9.057 . . . 1.0 . . . . . . . . . . . . A . 14 ASN HD22 . . . . . . . . . c19468_2md1 1 . 3 . 843 . 1 1 14 ASN N N -14.188 5.709 -6.785 . . . 1.0 . . . . . . . . . . . . A . 14 ASN N . . . . . . . . . c19468_2md1 1 . 3 . 844 . 1 1 14 ASN ND2 N -18.201 6.631 -9.055 . . . 1.0 . . . . . . . . . . . . A . 14 ASN ND2 . . . . . . . . . c19468_2md1 1 . 3 . 845 . 1 1 14 ASN O O -16.831 3.485 -6.412 . . . 1.0 . . . . . . . . . . . . A . 14 ASN O . . . . . . . . . c19468_2md1 1 . 3 . 846 . 1 1 14 ASN OD1 O -18.458 5.541 -7.108 . . . 1.0 . . . . . . . . . . . . A . 14 ASN OD1 . . . . . . . . . c19468_2md1 1 . 3 . 847 . 1 1 15 LYS C C -17.042 2.788 -3.545 . . . 1.0 . . . . . . . . . . . . A . 15 LYS C . . . . . . . . . c19468_2md1 1 . 3 . 848 . 1 1 15 LYS CA C -15.593 2.835 -4.019 . . . 1.0 . . . . . . . . . . . . A . 15 LYS CA . . . . . . . . . c19468_2md1 1 . 3 . 849 . 1 1 15 LYS CB C -14.650 2.794 -2.815 . . . 1.0 . . . . . . . . . . . . A . 15 LYS CB . . . . . . . . . c19468_2md1 1 . 3 . 850 . 1 1 15 LYS CD C -13.773 4.177 -0.910 . . . 1.0 . . . . . . . . . . . . A . 15 LYS CD . . . . . . . . . c19468_2md1 1 . 3 . 851 . 1 1 15 LYS CE C -13.307 5.594 -1.202 . . . 1.0 . . . . . . . . . . . . A . 15 LYS CE . . . . . . . . . c19468_2md1 1 . 3 . 852 . 1 1 15 LYS CG C -14.993 3.809 -1.739 . . . 1.0 . . . . . . . . . . . . A . 15 LYS CG . . . . . . . . . c19468_2md1 1 . 3 . 853 . 1 1 15 LYS H H -14.685 4.686 -4.500 . . . 1.0 . . . . . . . . . . . . A . 15 LYS H . . . . . . . . . c19468_2md1 1 . 3 . 854 . 1 1 15 LYS HA H -15.403 1.976 -4.644 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HA . . . . . . . . . c19468_2md1 1 . 3 . 855 . 1 1 15 LYS HB2 H -14.689 1.808 -2.376 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HB2 . . . . . . . . . c19468_2md1 1 . 3 . 856 . 1 1 15 LYS HB3 H -13.643 2.987 -3.155 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HB3 . . . . . . . . . c19468_2md1 1 . 3 . 857 . 1 1 15 LYS HD2 H -14.024 4.101 0.138 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HD2 . . . . . . . . . c19468_2md1 1 . 3 . 858 . 1 1 15 LYS HD3 H -12.972 3.489 -1.140 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HD3 . . . . . . . . . c19468_2md1 1 . 3 . 859 . 1 1 15 LYS HE2 H -13.332 5.755 -2.269 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HE2 . . . . . . . . . c19468_2md1 1 . 3 . 860 . 1 1 15 LYS HE3 H -13.979 6.287 -0.718 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HE3 . . . . . . . . . c19468_2md1 1 . 3 . 861 . 1 1 15 LYS HG2 H -15.377 4.702 -2.208 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HG2 . . . . . . . . . c19468_2md1 1 . 3 . 862 . 1 1 15 LYS HG3 H -15.746 3.390 -1.087 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HG3 . . . . . . . . . c19468_2md1 1 . 3 . 863 . 1 1 15 LYS HZ1 H -11.443 6.531 -1.315 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HZ1 . . . . . . . . . c19468_2md1 1 . 3 . 864 . 1 1 15 LYS HZ2 H -11.380 4.949 -0.718 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HZ2 . . . . . . . . . c19468_2md1 1 . 3 . 865 . 1 1 15 LYS HZ3 H -11.950 6.202 0.265 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HZ3 . . . . . . . . . c19468_2md1 1 . 3 . 866 . 1 1 15 LYS N N -15.345 4.032 -4.815 . . . 1.0 . . . . . . . . . . . . A . 15 LYS N . . . . . . . . . c19468_2md1 1 . 3 . 867 . 1 1 15 LYS NZ N -11.923 5.836 -0.708 . . . 1.0 . . . . . . . . . . . . A . 15 LYS NZ . . . . . . . . . c19468_2md1 1 . 3 . 868 . 1 1 15 LYS O O -17.602 1.711 -3.336 . . . 1.0 . . . . . . . . . . . . A . 15 LYS O . . . . . . . . . c19468_2md1 1 . 3 . 869 . 1 1 16 SER C C -19.969 3.375 -3.920 . . . 1.0 . . . . . . . . . . . . A . 16 SER C . . . . . . . . . c19468_2md1 1 . 3 . 870 . 1 1 16 SER CA C -19.028 4.053 -2.928 . . . 1.0 . . . . . . . . . . . . A . 16 SER CA . . . . . . . . . c19468_2md1 1 . 3 . 871 . 1 1 16 SER CB C -19.431 5.517 -2.744 . . . 1.0 . . . . . . . . . . . . A . 16 SER CB . . . . . . . . . c19468_2md1 1 . 3 . 872 . 1 1 16 SER H H -17.145 4.784 -3.563 . . . 1.0 . . . . . . . . . . . . A . 16 SER H . . . . . . . . . c19468_2md1 1 . 3 . 873 . 1 1 16 SER HA H -19.101 3.546 -1.977 . . . 1.0 . . . . . . . . . . . . A . 16 SER HA . . . . . . . . . c19468_2md1 1 . 3 . 874 . 1 1 16 SER HB2 H -18.883 5.937 -1.915 . . . 1.0 . . . . . . . . . . . . A . 16 SER HB2 . . . . . . . . . c19468_2md1 1 . 3 . 875 . 1 1 16 SER HB3 H -19.198 6.067 -3.645 . . . 1.0 . . . . . . . . . . . . A . 16 SER HB3 . . . . . . . . . c19468_2md1 1 . 3 . 876 . 1 1 16 SER HG H -20.952 6.190 -1.710 . . . 1.0 . . . . . . . . . . . . A . 16 SER HG . . . . . . . . . c19468_2md1 1 . 3 . 877 . 1 1 16 SER N N -17.644 3.961 -3.379 . . . 1.0 . . . . . . . . . . . . A . 16 SER N . . . . . . . . . c19468_2md1 1 . 3 . 878 . 1 1 16 SER O O -20.535 2.320 -3.634 . . . 1.0 . . . . . . . . . . . . A . 16 SER O . . . . . . . . . c19468_2md1 1 . 3 . 879 . 1 1 16 SER OG O -20.818 5.635 -2.482 . . . 1.0 . . . . . . . . . . . . A . 16 SER OG . . . . . . . . . c19468_2md1 1 . 3 . 880 . 1 1 17 ARG C C -20.205 2.634 -7.135 . . . 1.0 . . . . . . . . . . . . A . 17 ARG C . . . . . . . . . c19468_2md1 1 . 3 . 881 . 1 1 17 ARG CA C -21.004 3.449 -6.121 . . . 1.0 . . . . . . . . . . . . A . 17 ARG CA . . . . . . . . . c19468_2md1 1 . 3 . 882 . 1 1 17 ARG CB C -21.749 4.579 -6.833 . . . 1.0 . . . . . . . . . . . . A . 17 ARG CB . . . . . . . . . c19468_2md1 1 . 3 . 883 . 1 1 17 ARG CD C -23.963 4.137 -5.729 . . . 1.0 . . . . . . . . . . . . A . 17 ARG CD . . . . . . . . . c19468_2md1 1 . 3 . 884 . 1 1 17 ARG CG C -22.885 5.171 -6.014 . . . 1.0 . . . . . . . . . . . . A . 17 ARG CG . . . . . . . . . c19468_2md1 1 . 3 . 885 . 1 1 17 ARG CZ C -26.410 4.077 -5.501 . . . 1.0 . . . . . . . . . . . . A . 17 ARG CZ . . . . . . . . . c19468_2md1 1 . 3 . 886 . 1 1 17 ARG H H -19.653 4.829 -5.256 . . . 1.0 . . . . . . . . . . . . A . 17 ARG H . . . . . . . . . c19468_2md1 1 . 3 . 887 . 1 1 17 ARG HA H -21.723 2.801 -5.643 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HA . . . . . . . . . c19468_2md1 1 . 3 . 888 . 1 1 17 ARG HB2 H -21.049 5.370 -7.060 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HB2 . . . . . . . . . c19468_2md1 1 . 3 . 889 . 1 1 17 ARG HB3 H -22.160 4.198 -7.756 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HB3 . . . . . . . . . c19468_2md1 1 . 3 . 890 . 1 1 17 ARG HD2 H -24.033 3.467 -6.573 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HD2 . . . . . . . . . c19468_2md1 1 . 3 . 891 . 1 1 17 ARG HD3 H -23.683 3.578 -4.848 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HD3 . . . . . . . . . c19468_2md1 1 . 3 . 892 . 1 1 17 ARG HE H -25.291 5.721 -5.350 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HE . . . . . . . . . c19468_2md1 1 . 3 . 893 . 1 1 17 ARG HG2 H -22.490 5.531 -5.076 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HG2 . . . . . . . . . c19468_2md1 1 . 3 . 894 . 1 1 17 ARG HG3 H -23.321 5.992 -6.562 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HG3 . . . . . . . . . c19468_2md1 1 . 3 . 895 . 1 1 17 ARG HH11 H -25.546 2.288 -5.867 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HH11 . . . . . . . . . c19468_2md1 1 . 3 . 896 . 1 1 17 ARG HH12 H -27.270 2.259 -5.704 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HH12 . . . . . . . . . c19468_2md1 1 . 3 . 897 . 1 1 17 ARG HH21 H -27.562 5.697 -5.133 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HH21 . . . . . . . . . c19468_2md1 1 . 3 . 898 . 1 1 17 ARG HH22 H -28.416 4.199 -5.287 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HH22 . . . . . . . . . c19468_2md1 1 . 3 . 899 . 1 1 17 ARG N N -20.131 3.990 -5.087 . . . 1.0 . . . . . . . . . . . . A . 17 ARG N . . . . . . . . . c19468_2md1 1 . 3 . 900 . 1 1 17 ARG NE N -25.267 4.754 -5.505 . . . 1.0 . . . . . . . . . . . . A . 17 ARG NE . . . . . . . . . c19468_2md1 1 . 3 . 901 . 1 1 17 ARG NH1 N -26.409 2.767 -5.708 . . . 1.0 . . . . . . . . . . . . A . 17 ARG NH1 . . . . . . . . . c19468_2md1 1 . 3 . 902 . 1 1 17 ARG NH2 N -27.557 4.709 -5.290 . . . 1.0 . . . . . . . . . . . . A . 17 ARG NH2 . . . . . . . . . c19468_2md1 1 . 3 . 903 . 1 1 17 ARG O O -20.705 2.300 -8.209 . . . 1.0 . . . . . . . . . . . . A . 17 ARG O . . . . . . . . . c19468_2md1 1 . 4 . 904 . 1 1 1 TRP C C 2.282 1.720 -1.890 . . . 1.0 . . . . . . . . . . . . A . 1 TRP C . . . . . . . . . c19468_2md1 1 . 4 . 905 . 1 1 1 TRP CA C 2.389 0.497 -0.985 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CA . . . . . . . . . c19468_2md1 1 . 4 . 906 . 1 1 1 TRP CB C 1.664 -0.689 -1.622 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CB . . . . . . . . . c19468_2md1 1 . 4 . 907 . 1 1 1 TRP CD1 C 3.798 -1.713 -2.605 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD1 . . . . . . . . . c19468_2md1 1 . 4 . 908 . 1 1 1 TRP CD2 C 2.012 -1.836 -3.952 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD2 . . . . . . . . . c19468_2md1 1 . 4 . 909 . 1 1 1 TRP CE2 C 3.110 -2.429 -4.606 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE2 . . . . . . . . . c19468_2md1 1 . 4 . 910 . 1 1 1 TRP CE3 C 0.779 -1.798 -4.608 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE3 . . . . . . . . . c19468_2md1 1 . 4 . 911 . 1 1 1 TRP CG C 2.474 -1.385 -2.674 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CG . . . . . . . . . c19468_2md1 1 . 4 . 912 . 1 1 1 TRP CH2 C 1.789 -2.926 -6.500 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CH2 . . . . . . . . . c19468_2md1 1 . 4 . 913 . 1 1 1 TRP CZ2 C 3.009 -2.977 -5.882 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ2 . . . . . . . . . c19468_2md1 1 . 4 . 914 . 1 1 1 TRP CZ3 C 0.680 -2.342 -5.874 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ3 . . . . . . . . . c19468_2md1 1 . 4 . 915 . 1 1 1 TRP H1 H 2.407 0.666 1.125 . . . 1.0 . . . . . . . . . . . . A . 1 TRP H1 . . . . . . . . . c19468_2md1 1 . 4 . 916 . 1 1 1 TRP HA H 3.432 0.246 -0.861 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HA . . . . . . . . . c19468_2md1 1 . 4 . 917 . 1 1 1 TRP HB2 H 1.423 -1.410 -0.856 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB2 . . . . . . . . . c19468_2md1 1 . 4 . 918 . 1 1 1 TRP HB3 H 0.751 -0.339 -2.081 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB3 . . . . . . . . . c19468_2md1 1 . 4 . 919 . 1 1 1 TRP HD1 H 4.433 -1.502 -1.759 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HD1 . . . . . . . . . c19468_2md1 1 . 4 . 920 . 1 1 1 TRP HE1 H 5.089 -2.673 -3.955 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE1 . . . . . . . . . c19468_2md1 1 . 4 . 921 . 1 1 1 TRP HE3 H -0.088 -1.352 -4.142 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE3 . . . . . . . . . c19468_2md1 1 . 4 . 922 . 1 1 1 TRP HH2 H 1.666 -3.339 -7.489 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HH2 . . . . . . . . . c19468_2md1 1 . 4 . 923 . 1 1 1 TRP HZ2 H 3.854 -3.432 -6.377 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ2 . . . . . . . . . c19468_2md1 1 . 4 . 924 . 1 1 1 TRP HZ3 H -0.266 -2.321 -6.396 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ3 . . . . . . . . . c19468_2md1 1 . 4 . 925 . 1 1 1 TRP N N 1.837 0.777 0.336 . . . 1.0 . . . . . . . . . . . . A . 1 TRP N . . . . . . . . . c19468_2md1 1 . 4 . 926 . 1 1 1 TRP NE1 N 4.187 -2.341 -3.764 . . . 1.0 . . . . . . . . . . . . A . 1 TRP NE1 . . . . . . . . . c19468_2md1 1 . 4 . 927 . 1 1 1 TRP O O 1.192 2.088 -2.327 . . . 1.0 . . . . . . . . . . . . A . 1 TRP O . . . . . . . . . c19468_2md1 1 . 4 . 928 . 1 1 2 LYS C C 2.727 3.269 -4.337 . . . 1.0 . . . . . . . . . . . . A . 2 LYS C . . . . . . . . . c19468_2md1 1 . 4 . 929 . 1 1 2 LYS CA C 3.456 3.527 -3.022 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CA . . . . . . . . . c19468_2md1 1 . 4 . 930 . 1 1 2 LYS CB C 4.904 3.936 -3.302 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CB . . . . . . . . . c19468_2md1 1 . 4 . 931 . 1 1 2 LYS CD C 6.561 3.032 -4.959 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CD . . . . . . . . . c19468_2md1 1 . 4 . 932 . 1 1 2 LYS CE C 7.675 4.048 -4.758 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CE . . . . . . . . . c19468_2md1 1 . 4 . 933 . 1 1 2 LYS CG C 5.807 2.770 -3.666 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CG . . . . . . . . . c19468_2md1 1 . 4 . 934 . 1 1 2 LYS H H 4.259 2.005 -1.789 . . . 1.0 . . . . . . . . . . . . A . 2 LYS H . . . . . . . . . c19468_2md1 1 . 4 . 935 . 1 1 2 LYS HA H 2.959 4.330 -2.500 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HA . . . . . . . . . c19468_2md1 1 . 4 . 936 . 1 1 2 LYS HB2 H 4.915 4.642 -4.119 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB2 . . . . . . . . . c19468_2md1 1 . 4 . 937 . 1 1 2 LYS HB3 H 5.307 4.414 -2.420 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB3 . . . . . . . . . c19468_2md1 1 . 4 . 938 . 1 1 2 LYS HD2 H 6.993 2.106 -5.308 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD2 . . . . . . . . . c19468_2md1 1 . 4 . 939 . 1 1 2 LYS HD3 H 5.870 3.410 -5.699 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD3 . . . . . . . . . c19468_2md1 1 . 4 . 940 . 1 1 2 LYS HE2 H 7.483 4.598 -3.850 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE2 . . . . . . . . . c19468_2md1 1 . 4 . 941 . 1 1 2 LYS HE3 H 8.613 3.521 -4.669 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE3 . . . . . . . . . c19468_2md1 1 . 4 . 942 . 1 1 2 LYS HG2 H 6.520 2.616 -2.871 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG2 . . . . . . . . . c19468_2md1 1 . 4 . 943 . 1 1 2 LYS HG3 H 5.201 1.883 -3.787 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG3 . . . . . . . . . c19468_2md1 1 . 4 . 944 . 1 1 2 LYS HZ1 H 6.969 5.677 -5.860 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ1 . . . . . . . . . c19468_2md1 1 . 4 . 945 . 1 1 2 LYS HZ2 H 7.728 4.492 -6.799 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ2 . . . . . . . . . c19468_2md1 1 . 4 . 946 . 1 1 2 LYS HZ3 H 8.655 5.538 -5.846 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ3 . . . . . . . . . c19468_2md1 1 . 4 . 947 . 1 1 2 LYS N N 3.421 2.346 -2.168 . . . 1.0 . . . . . . . . . . . . A . 2 LYS N . . . . . . . . . c19468_2md1 1 . 4 . 948 . 1 1 2 LYS NZ N 7.763 5.006 -5.895 . . . 1.0 . . . . . . . . . . . . A . 2 LYS NZ . . . . . . . . . c19468_2md1 1 . 4 . 949 . 1 1 2 LYS O O 2.248 4.201 -4.985 . . . 1.0 . . . . . . . . . . . . A . 2 LYS O . . . . . . . . . c19468_2md1 1 . 4 . 950 . 1 1 3 LEU C C 0.457 1.693 -5.801 . . . 1.0 . . . . . . . . . . . . A . 3 LEU C . . . . . . . . . c19468_2md1 1 . 4 . 951 . 1 1 3 LEU CA C 1.973 1.621 -5.961 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CA . . . . . . . . . c19468_2md1 1 . 4 . 952 . 1 1 3 LEU CB C 2.387 0.208 -6.377 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CB . . . . . . . . . c19468_2md1 1 . 4 . 953 . 1 1 3 LEU CD1 C 2.428 0.837 -8.803 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CD1 . . . . . . . . . c19468_2md1 1 . 4 . 954 . 1 1 3 LEU CD2 C 4.572 0.627 -7.532 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CD2 . . . . . . . . . c19468_2md1 1 . 4 . 955 . 1 1 3 LEU CG C 3.156 0.094 -7.693 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CG . . . . . . . . . c19468_2md1 1 . 4 . 956 . 1 1 3 LEU H H 3.047 1.304 -4.166 . . . 1.0 . . . . . . . . . . . . A . 3 LEU H . . . . . . . . . c19468_2md1 1 . 4 . 957 . 1 1 3 LEU HA H 2.275 2.317 -6.730 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HA . . . . . . . . . c19468_2md1 1 . 4 . 958 . 1 1 3 LEU HB2 H 3.009 -0.197 -5.594 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HB2 . . . . . . . . . c19468_2md1 1 . 4 . 959 . 1 1 3 LEU HB3 H 1.488 -0.386 -6.464 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HB3 . . . . . . . . . c19468_2md1 1 . 4 . 960 . 1 1 3 LEU HD11 H 2.047 0.127 -9.522 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD11 . . . . . . . . . c19468_2md1 1 . 4 . 961 . 1 1 3 LEU HD12 H 3.113 1.513 -9.293 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD12 . . . . . . . . . c19468_2md1 1 . 4 . 962 . 1 1 3 LEU HD13 H 1.607 1.399 -8.382 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD13 . . . . . . . . . c19468_2md1 1 . 4 . 963 . 1 1 3 LEU HD21 H 5.121 0.472 -8.448 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD21 . . . . . . . . . c19468_2md1 1 . 4 . 964 . 1 1 3 LEU HD22 H 5.063 0.105 -6.724 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD22 . . . . . . . . . c19468_2md1 1 . 4 . 965 . 1 1 3 LEU HD23 H 4.535 1.684 -7.307 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD23 . . . . . . . . . c19468_2md1 1 . 4 . 966 . 1 1 3 LEU HG H 3.220 -0.948 -7.976 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HG . . . . . . . . . c19468_2md1 1 . 4 . 967 . 1 1 3 LEU N N 2.645 2.001 -4.724 . . . 1.0 . . . . . . . . . . . . A . 3 LEU N . . . . . . . . . c19468_2md1 1 . 4 . 968 . 1 1 3 LEU O O -0.254 2.126 -6.709 . . . 1.0 . . . . . . . . . . . . A . 3 LEU O . . . . . . . . . c19468_2md1 1 . 4 . 969 . 1 1 4 LEU C C -1.901 2.657 -3.856 . . . 1.0 . . . . . . . . . . . . A . 4 LEU C . . . . . . . . . c19468_2md1 1 . 4 . 970 . 1 1 4 LEU CA C -1.462 1.286 -4.361 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CA . . . . . . . . . c19468_2md1 1 . 4 . 971 . 1 1 4 LEU CB C -1.813 0.213 -3.328 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CB . . . . . . . . . c19468_2md1 1 . 4 . 972 . 1 1 4 LEU CD1 C -2.416 -1.106 -5.373 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD1 . . . . . . . . . c19468_2md1 1 . 4 . 973 . 1 1 4 LEU CD2 C -2.032 -2.281 -3.198 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD2 . . . . . . . . . c19468_2md1 1 . 4 . 974 . 1 1 4 LEU CG C -2.553 -1.014 -3.861 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CG . . . . . . . . . c19468_2md1 1 . 4 . 975 . 1 1 4 LEU H H 0.585 0.934 -3.957 . . . 1.0 . . . . . . . . . . . . A . 4 LEU H . . . . . . . . . c19468_2md1 1 . 4 . 976 . 1 1 4 LEU HA H -1.983 1.072 -5.282 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HA . . . . . . . . . c19468_2md1 1 . 4 . 977 . 1 1 4 LEU HB2 H -0.893 -0.125 -2.878 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB2 . . . . . . . . . c19468_2md1 1 . 4 . 978 . 1 1 4 LEU HB3 H -2.434 0.673 -2.573 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB3 . . . . . . . . . c19468_2md1 1 . 4 . 979 . 1 1 4 LEU HD11 H -1.398 -0.883 -5.656 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD11 . . . . . . . . . c19468_2md1 1 . 4 . 980 . 1 1 4 LEU HD12 H -3.083 -0.396 -5.839 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD12 . . . . . . . . . c19468_2md1 1 . 4 . 981 . 1 1 4 LEU HD13 H -2.670 -2.105 -5.697 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD13 . . . . . . . . . c19468_2md1 1 . 4 . 982 . 1 1 4 LEU HD21 H -2.864 -2.867 -2.838 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD21 . . . . . . . . . c19468_2md1 1 . 4 . 983 . 1 1 4 LEU HD22 H -1.392 -2.015 -2.369 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD22 . . . . . . . . . c19468_2md1 1 . 4 . 984 . 1 1 4 LEU HD23 H -1.468 -2.857 -3.917 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD23 . . . . . . . . . c19468_2md1 1 . 4 . 985 . 1 1 4 LEU HG H -3.605 -0.922 -3.627 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HG . . . . . . . . . c19468_2md1 1 . 4 . 986 . 1 1 4 LEU N N -0.031 1.268 -4.641 . . . 1.0 . . . . . . . . . . . . A . 4 LEU N . . . . . . . . . c19468_2md1 1 . 4 . 987 . 1 1 4 LEU O O -3.044 3.067 -4.056 . . . 1.0 . . . . . . . . . . . . A . 4 LEU O . . . . . . . . . c19468_2md1 1 . 4 . 988 . 1 1 5 SER C C -1.291 5.731 -3.779 . . . 1.0 . . . . . . . . . . . . A . 5 SER C . . . . . . . . . c19468_2md1 1 . 4 . 989 . 1 1 5 SER CA C -1.276 4.687 -2.667 . . . 1.0 . . . . . . . . . . . . A . 5 SER CA . . . . . . . . . c19468_2md1 1 . 4 . 990 . 1 1 5 SER CB C -0.243 5.071 -1.606 . . . 1.0 . . . . . . . . . . . . A . 5 SER CB . . . . . . . . . c19468_2md1 1 . 4 . 991 . 1 1 5 SER H H -0.089 2.981 -3.074 . . . 1.0 . . . . . . . . . . . . A . 5 SER H . . . . . . . . . c19468_2md1 1 . 4 . 992 . 1 1 5 SER HA H -2.253 4.651 -2.209 . . . 1.0 . . . . . . . . . . . . A . 5 SER HA . . . . . . . . . c19468_2md1 1 . 4 . 993 . 1 1 5 SER HB2 H 0.743 4.799 -1.952 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB2 . . . . . . . . . c19468_2md1 1 . 4 . 994 . 1 1 5 SER HB3 H -0.283 6.137 -1.437 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB3 . . . . . . . . . c19468_2md1 1 . 4 . 995 . 1 1 5 SER HG H 0.200 3.767 -0.213 . . . 1.0 . . . . . . . . . . . . A . 5 SER HG . . . . . . . . . c19468_2md1 1 . 4 . 996 . 1 1 5 SER N N -0.983 3.362 -3.202 . . . 1.0 . . . . . . . . . . . . A . 5 SER N . . . . . . . . . c19468_2md1 1 . 4 . 997 . 1 1 5 SER O O -1.846 6.818 -3.619 . . . 1.0 . . . . . . . . . . . . A . 5 SER O . . . . . . . . . c19468_2md1 1 . 4 . 998 . 1 1 5 SER OG O -0.497 4.405 -0.381 . . . 1.0 . . . . . . . . . . . . A . 5 SER OG . . . . . . . . . c19468_2md1 1 . 4 . 999 . 1 1 6 LYS C C -1.662 5.919 -7.098 . . . 1.0 . . . . . . . . . . . . A . 6 LYS C . . . . . . . . . c19468_2md1 1 . 4 . 1000 . 1 1 6 LYS CA C -0.620 6.298 -6.050 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CA . . . . . . . . . c19468_2md1 1 . 4 . 1001 . 1 1 6 LYS CB C 0.777 6.277 -6.673 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CB . . . . . . . . . c19468_2md1 1 . 4 . 1002 . 1 1 6 LYS CD C 0.672 5.189 -8.935 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CD . . . . . . . . . c19468_2md1 1 . 4 . 1003 . 1 1 6 LYS CE C 1.738 4.633 -9.867 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CE . . . . . . . . . c19468_2md1 1 . 4 . 1004 . 1 1 6 LYS CG C 1.066 5.021 -7.477 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CG . . . . . . . . . c19468_2md1 1 . 4 . 1005 . 1 1 6 LYS H H -0.253 4.511 -4.975 . . . 1.0 . . . . . . . . . . . . A . 6 LYS H . . . . . . . . . c19468_2md1 1 . 4 . 1006 . 1 1 6 LYS HA H -0.831 7.295 -5.693 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HA . . . . . . . . . c19468_2md1 1 . 4 . 1007 . 1 1 6 LYS HB2 H 0.879 7.130 -7.329 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB2 . . . . . . . . . c19468_2md1 1 . 4 . 1008 . 1 1 6 LYS HB3 H 1.512 6.351 -5.884 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB3 . . . . . . . . . c19468_2md1 1 . 4 . 1009 . 1 1 6 LYS HD2 H -0.254 4.662 -9.111 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD2 . . . . . . . . . c19468_2md1 1 . 4 . 1010 . 1 1 6 LYS HD3 H 0.536 6.240 -9.143 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD3 . . . . . . . . . c19468_2md1 1 . 4 . 1011 . 1 1 6 LYS HE2 H 2.260 5.458 -10.328 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE2 . . . . . . . . . c19468_2md1 1 . 4 . 1012 . 1 1 6 LYS HE3 H 2.434 4.046 -9.288 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE3 . . . . . . . . . c19468_2md1 1 . 4 . 1013 . 1 1 6 LYS HG2 H 2.123 4.806 -7.423 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG2 . . . . . . . . . c19468_2md1 1 . 4 . 1014 . 1 1 6 LYS HG3 H 0.508 4.198 -7.054 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG3 . . . . . . . . . c19468_2md1 1 . 4 . 1015 . 1 1 6 LYS HZ1 H 1.208 2.775 -10.660 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ1 . . . . . . . . . c19468_2md1 1 . 4 . 1016 . 1 1 6 LYS HZ2 H 1.666 3.912 -11.826 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ2 . . . . . . . . . c19468_2md1 1 . 4 . 1017 . 1 1 6 LYS HZ3 H 0.151 4.026 -11.083 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ3 . . . . . . . . . c19468_2md1 1 . 4 . 1018 . 1 1 6 LYS N N -0.677 5.392 -4.908 . . . 1.0 . . . . . . . . . . . . A . 6 LYS N . . . . . . . . . c19468_2md1 1 . 4 . 1019 . 1 1 6 LYS NZ N 1.149 3.776 -10.934 . . . 1.0 . . . . . . . . . . . . A . 6 LYS NZ . . . . . . . . . c19468_2md1 1 . 4 . 1020 . 1 1 6 LYS O O -2.053 6.743 -7.923 . . . 1.0 . . . . . . . . . . . . A . 6 LYS O . . . . . . . . . c19468_2md1 1 . 4 . 1021 . 1 1 7 ALA C C -4.498 4.184 -7.377 . . . 1.0 . . . . . . . . . . . . A . 7 ALA C . . . . . . . . . c19468_2md1 1 . 4 . 1022 . 1 1 7 ALA CA C -3.106 4.181 -8.000 . . . 1.0 . . . . . . . . . . . . A . 7 ALA CA . . . . . . . . . c19468_2md1 1 . 4 . 1023 . 1 1 7 ALA CB C -2.743 2.783 -8.479 . . . 1.0 . . . . . . . . . . . . A . 7 ALA CB . . . . . . . . . c19468_2md1 1 . 4 . 1024 . 1 1 7 ALA H H -1.757 4.058 -6.375 . . . 1.0 . . . . . . . . . . . . A . 7 ALA H . . . . . . . . . c19468_2md1 1 . 4 . 1025 . 1 1 7 ALA HA H -3.105 4.840 -8.857 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HA . . . . . . . . . c19468_2md1 1 . 4 . 1026 . 1 1 7 ALA HB1 H -3.431 2.480 -9.255 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB1 . . . . . . . . . c19468_2md1 1 . 4 . 1027 . 1 1 7 ALA HB2 H -1.737 2.787 -8.870 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB2 . . . . . . . . . c19468_2md1 1 . 4 . 1028 . 1 1 7 ALA HB3 H -2.806 2.092 -7.652 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB3 . . . . . . . . . c19468_2md1 1 . 4 . 1029 . 1 1 7 ALA N N -2.107 4.668 -7.057 . . . 1.0 . . . . . . . . . . . . A . 7 ALA N . . . . . . . . . c19468_2md1 1 . 4 . 1030 . 1 1 7 ALA O O -5.500 4.038 -8.076 . . . 1.0 . . . . . . . . . . . . A . 7 ALA O . . . . . . . . . c19468_2md1 1 . 4 . 1031 . 1 1 8 GLN C C -6.151 5.781 -4.862 . . . 1.0 . . . . . . . . . . . . A . 8 GLN C . . . . . . . . . c19468_2md1 1 . 4 . 1032 . 1 1 8 GLN CA C -5.820 4.372 -5.343 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CA . . . . . . . . . c19468_2md1 1 . 4 . 1033 . 1 1 8 GLN CB C -5.774 3.412 -4.153 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CB . . . . . . . . . c19468_2md1 1 . 4 . 1034 . 1 1 8 GLN CD C -7.269 1.883 -2.807 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CD . . . . . . . . . c19468_2md1 1 . 4 . 1035 . 1 1 8 GLN CG C -7.114 3.246 -3.454 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CG . . . . . . . . . c19468_2md1 1 . 4 . 1036 . 1 1 8 GLN H H -3.717 4.463 -5.558 . . . 1.0 . . . . . . . . . . . . A . 8 GLN H . . . . . . . . . c19468_2md1 1 . 4 . 1037 . 1 1 8 GLN HA H -6.591 4.048 -6.026 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HA . . . . . . . . . c19468_2md1 1 . 4 . 1038 . 1 1 8 GLN HB2 H -5.451 2.442 -4.501 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB2 . . . . . . . . . c19468_2md1 1 . 4 . 1039 . 1 1 8 GLN HB3 H -5.061 3.784 -3.433 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB3 . . . . . . . . . c19468_2md1 1 . 4 . 1040 . 1 1 8 GLN HE21 H -8.823 1.477 -3.978 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE21 . . . . . . . . . c19468_2md1 1 . 4 . 1041 . 1 1 8 GLN HE22 H -8.380 0.236 -2.861 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE22 . . . . . . . . . c19468_2md1 1 . 4 . 1042 . 1 1 8 GLN HG2 H -7.202 4.002 -2.688 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG2 . . . . . . . . . c19468_2md1 1 . 4 . 1043 . 1 1 8 GLN HG3 H -7.903 3.376 -4.180 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG3 . . . . . . . . . c19468_2md1 1 . 4 . 1044 . 1 1 8 GLN N N -4.551 4.352 -6.060 . . . 1.0 . . . . . . . . . . . . A . 8 GLN N . . . . . . . . . c19468_2md1 1 . 4 . 1045 . 1 1 8 GLN NE2 N -8.258 1.122 -3.260 . . . 1.0 . . . . . . . . . . . . A . 8 GLN NE2 . . . . . . . . . c19468_2md1 1 . 4 . 1046 . 1 1 8 GLN O O -7.317 6.122 -4.667 . . . 1.0 . . . . . . . . . . . . A . 8 GLN O . . . . . . . . . c19468_2md1 1 . 4 . 1047 . 1 1 8 GLN OE1 O -6.508 1.519 -1.910 . . . 1.0 . . . . . . . . . . . . A . 8 GLN OE1 . . . . . . . . . c19468_2md1 1 . 4 . 1048 . 1 1 9 GLU C C -6.208 8.742 -5.163 . . . 1.0 . . . . . . . . . . . . A . 9 GLU C . . . . . . . . . c19468_2md1 1 . 4 . 1049 . 1 1 9 GLU CA C -5.300 7.967 -4.213 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CA . . . . . . . . . c19468_2md1 1 . 4 . 1050 . 1 1 9 GLU CB C -3.947 8.672 -4.094 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CB . . . . . . . . . c19468_2md1 1 . 4 . 1051 . 1 1 9 GLU CD C -3.002 10.805 -3.126 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CD . . . . . . . . . c19468_2md1 1 . 4 . 1052 . 1 1 9 GLU CG C -4.054 10.186 -4.025 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CG . . . . . . . . . c19468_2md1 1 . 4 . 1053 . 1 1 9 GLU H H -4.211 6.265 -4.845 . . . 1.0 . . . . . . . . . . . . A . 9 GLU H . . . . . . . . . c19468_2md1 1 . 4 . 1054 . 1 1 9 GLU HA H -5.764 7.931 -3.239 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HA . . . . . . . . . c19468_2md1 1 . 4 . 1055 . 1 1 9 GLU HB2 H -3.451 8.325 -3.199 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HB2 . . . . . . . . . c19468_2md1 1 . 4 . 1056 . 1 1 9 GLU HB3 H -3.343 8.414 -4.951 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HB3 . . . . . . . . . c19468_2md1 1 . 4 . 1057 . 1 1 9 GLU HG2 H -3.937 10.588 -5.020 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HG2 . . . . . . . . . c19468_2md1 1 . 4 . 1058 . 1 1 9 GLU HG3 H -5.031 10.448 -3.645 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HG3 . . . . . . . . . c19468_2md1 1 . 4 . 1059 . 1 1 9 GLU N N -5.117 6.595 -4.673 . . . 1.0 . . . . . . . . . . . . A . 9 GLU N . . . . . . . . . c19468_2md1 1 . 4 . 1060 . 1 1 9 GLU O O -6.886 9.687 -4.758 . . . 1.0 . . . . . . . . . . . . A . 9 GLU O . . . . . . . . . c19468_2md1 1 . 4 . 1061 . 1 1 9 GLU OE1 O -1.876 10.268 -3.072 . . . 1.0 . . . . . . . . . . . . A . 9 GLU OE1 . . . . . . . . . c19468_2md1 1 . 4 . 1062 . 1 1 9 GLU OE2 O -3.305 11.828 -2.477 . . . 1.0 . . . . . . . . . . . . A . 9 GLU OE2 . . . . . . . . . c19468_2md1 1 . 4 . 1063 . 1 1 10 LYS C C -8.442 8.391 -7.466 . . . 1.0 . . . . . . . . . . . . A . 10 LYS C . . . . . . . . . c19468_2md1 1 . 4 . 1064 . 1 1 10 LYS CA C -7.040 8.991 -7.437 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CA . . . . . . . . . c19468_2md1 1 . 4 . 1065 . 1 1 10 LYS CB C -6.391 8.864 -8.817 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CB . . . . . . . . . c19468_2md1 1 . 4 . 1066 . 1 1 10 LYS CD C -5.901 7.418 -10.811 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CD . . . . . . . . . c19468_2md1 1 . 4 . 1067 . 1 1 10 LYS CE C -6.601 8.365 -11.773 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CE . . . . . . . . . c19468_2md1 1 . 4 . 1068 . 1 1 10 LYS CG C -6.518 7.478 -9.424 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CG . . . . . . . . . c19468_2md1 1 . 4 . 1069 . 1 1 10 LYS H H -5.653 7.577 -6.690 . . . 1.0 . . . . . . . . . . . . A . 10 LYS H . . . . . . . . . c19468_2md1 1 . 4 . 1070 . 1 1 10 LYS HA H -7.114 10.036 -7.178 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HA . . . . . . . . . c19468_2md1 1 . 4 . 1071 . 1 1 10 LYS HB2 H -6.856 9.572 -9.487 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB2 . . . . . . . . . c19468_2md1 1 . 4 . 1072 . 1 1 10 LYS HB3 H -5.340 9.101 -8.730 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB3 . . . . . . . . . c19468_2md1 1 . 4 . 1073 . 1 1 10 LYS HD2 H -4.859 7.695 -10.745 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD2 . . . . . . . . . c19468_2md1 1 . 4 . 1074 . 1 1 10 LYS HD3 H -5.984 6.409 -11.189 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD3 . . . . . . . . . c19468_2md1 1 . 4 . 1075 . 1 1 10 LYS HE2 H -7.642 8.434 -11.497 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE2 . . . . . . . . . c19468_2md1 1 . 4 . 1076 . 1 1 10 LYS HE3 H -6.143 9.340 -11.696 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE3 . . . . . . . . . c19468_2md1 1 . 4 . 1077 . 1 1 10 LYS HG2 H -6.012 6.768 -8.786 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG2 . . . . . . . . . c19468_2md1 1 . 4 . 1078 . 1 1 10 LYS HG3 H -7.565 7.220 -9.493 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG3 . . . . . . . . . c19468_2md1 1 . 4 . 1079 . 1 1 10 LYS HZ1 H -6.654 6.867 -13.228 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ1 . . . . . . . . . c19468_2md1 1 . 4 . 1080 . 1 1 10 LYS HZ2 H -5.565 8.115 -13.569 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ2 . . . . . . . . . c19468_2md1 1 . 4 . 1081 . 1 1 10 LYS HZ3 H -7.226 8.365 -13.767 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ3 . . . . . . . . . c19468_2md1 1 . 4 . 1082 . 1 1 10 LYS N N -6.216 8.337 -6.428 . . . 1.0 . . . . . . . . . . . . A . 10 LYS N . . . . . . . . . c19468_2md1 1 . 4 . 1083 . 1 1 10 LYS NZ N -6.505 7.895 -13.183 . . . 1.0 . . . . . . . . . . . . A . 10 LYS NZ . . . . . . . . . c19468_2md1 1 . 4 . 1084 . 1 1 10 LYS O O -9.204 8.613 -8.408 . . . 1.0 . . . . . . . . . . . . A . 10 LYS O . . . . . . . . . c19468_2md1 1 . 4 . 1085 . 1 1 11 PHE C C -10.826 7.459 -5.080 . . . 1.0 . . . . . . . . . . . . A . 11 PHE C . . . . . . . . . c19468_2md1 1 . 4 . 1086 . 1 1 11 PHE CA C -10.090 7.001 -6.336 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CA . . . . . . . . . c19468_2md1 1 . 4 . 1087 . 1 1 11 PHE CB C -9.947 5.478 -6.330 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CB . . . . . . . . . c19468_2md1 1 . 4 . 1088 . 1 1 11 PHE CD1 C -8.329 4.994 -8.186 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CD1 . . . . . . . . . c19468_2md1 1 . 4 . 1089 . 1 1 11 PHE CD2 C -10.587 4.267 -8.432 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CD2 . . . . . . . . . c19468_2md1 1 . 4 . 1090 . 1 1 11 PHE CE1 C -8.020 4.464 -9.425 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CE1 . . . . . . . . . c19468_2md1 1 . 4 . 1091 . 1 1 11 PHE CE2 C -10.283 3.736 -9.671 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CE2 . . . . . . . . . c19468_2md1 1 . 4 . 1092 . 1 1 11 PHE CG C -9.614 4.901 -7.676 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CG . . . . . . . . . c19468_2md1 1 . 4 . 1093 . 1 1 11 PHE CZ C -8.999 3.835 -10.169 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CZ . . . . . . . . . c19468_2md1 1 . 4 . 1094 . 1 1 11 PHE H H -8.128 7.492 -5.708 . . . 1.0 . . . . . . . . . . . . A . 11 PHE H . . . . . . . . . c19468_2md1 1 . 4 . 1095 . 1 1 11 PHE HA H -10.661 7.297 -7.202 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HA . . . . . . . . . c19468_2md1 1 . 4 . 1096 . 1 1 11 PHE HB2 H -9.158 5.200 -5.647 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HB2 . . . . . . . . . c19468_2md1 1 . 4 . 1097 . 1 1 11 PHE HB3 H -10.875 5.038 -5.999 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HB3 . . . . . . . . . c19468_2md1 1 . 4 . 1098 . 1 1 11 PHE HD1 H -7.562 5.486 -7.605 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HD1 . . . . . . . . . c19468_2md1 1 . 4 . 1099 . 1 1 11 PHE HD2 H -11.592 4.190 -8.045 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HD2 . . . . . . . . . c19468_2md1 1 . 4 . 1100 . 1 1 11 PHE HE1 H -7.014 4.544 -9.811 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HE1 . . . . . . . . . c19468_2md1 1 . 4 . 1101 . 1 1 11 PHE HE2 H -11.051 3.244 -10.251 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HE2 . . . . . . . . . c19468_2md1 1 . 4 . 1102 . 1 1 11 PHE HZ H -8.759 3.420 -11.136 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HZ . . . . . . . . . c19468_2md1 1 . 4 . 1103 . 1 1 11 PHE N N -8.778 7.632 -6.429 . . . 1.0 . . . . . . . . . . . . A . 11 PHE N . . . . . . . . . c19468_2md1 1 . 4 . 1104 . 1 1 11 PHE O O -11.676 6.745 -4.551 . . . 1.0 . . . . . . . . . . . . A . 11 PHE O . . . . . . . . . c19468_2md1 1 . 4 . 1105 . 1 1 12 GLY C C -12.605 9.464 -3.626 . . . 1.0 . . . . . . . . . . . . A . 12 GLY C . . . . . . . . . c19468_2md1 1 . 4 . 1106 . 1 1 12 GLY CA C -11.129 9.190 -3.419 . . . 1.0 . . . . . . . . . . . . A . 12 GLY CA . . . . . . . . . c19468_2md1 1 . 4 . 1107 . 1 1 12 GLY H H -9.806 9.182 -5.072 . . . 1.0 . . . . . . . . . . . . A . 12 GLY H . . . . . . . . . c19468_2md1 1 . 4 . 1108 . 1 1 12 GLY HA2 H -11.014 8.480 -2.614 . . . 1.0 . . . . . . . . . . . . A . 12 GLY HA2 . . . . . . . . . c19468_2md1 1 . 4 . 1109 . 1 1 12 GLY HA3 H -10.639 10.112 -3.145 . . . 1.0 . . . . . . . . . . . . A . 12 GLY HA3 . . . . . . . . . c19468_2md1 1 . 4 . 1110 . 1 1 12 GLY N N -10.491 8.656 -4.609 . . . 1.0 . . . . . . . . . . . . A . 12 GLY N . . . . . . . . . c19468_2md1 1 . 4 . 1111 . 1 1 12 GLY O O -13.391 9.421 -2.679 . . . 1.0 . . . . . . . . . . . . A . 12 GLY O . . . . . . . . . c19468_2md1 1 . 4 . 1112 . 1 1 13 LYS C C -14.954 8.944 -6.098 . . . 1.0 . . . . . . . . . . . . A . 13 LYS C . . . . . . . . . c19468_2md1 1 . 4 . 1113 . 1 1 13 LYS CA C -14.376 10.030 -5.197 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CA . . . . . . . . . c19468_2md1 1 . 4 . 1114 . 1 1 13 LYS CB C -14.493 11.393 -5.884 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CB . . . . . . . . . c19468_2md1 1 . 4 . 1115 . 1 1 13 LYS CD C -12.563 12.952 -6.281 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CD . . . . . . . . . c19468_2md1 1 . 4 . 1116 . 1 1 13 LYS CE C -11.431 13.698 -5.594 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CE . . . . . . . . . c19468_2md1 1 . 4 . 1117 . 1 1 13 LYS CG C -13.594 12.458 -5.280 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CG . . . . . . . . . c19468_2md1 1 . 4 . 1118 . 1 1 13 LYS H H -12.311 9.766 -5.580 . . . 1.0 . . . . . . . . . . . . A . 13 LYS H . . . . . . . . . c19468_2md1 1 . 4 . 1119 . 1 1 13 LYS HA H -14.938 10.053 -4.275 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HA . . . . . . . . . c19468_2md1 1 . 4 . 1120 . 1 1 13 LYS HB2 H -14.232 11.280 -6.926 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB2 . . . . . . . . . c19468_2md1 1 . 4 . 1121 . 1 1 13 LYS HB3 H -15.516 11.733 -5.812 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB3 . . . . . . . . . c19468_2md1 1 . 4 . 1122 . 1 1 13 LYS HD2 H -12.152 12.104 -6.810 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD2 . . . . . . . . . c19468_2md1 1 . 4 . 1123 . 1 1 13 LYS HD3 H -13.047 13.616 -6.984 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD3 . . . . . . . . . c19468_2md1 1 . 4 . 1124 . 1 1 13 LYS HE2 H -11.046 14.445 -6.271 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE2 . . . . . . . . . c19468_2md1 1 . 4 . 1125 . 1 1 13 LYS HE3 H -11.820 14.180 -4.709 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE3 . . . . . . . . . c19468_2md1 1 . 4 . 1126 . 1 1 13 LYS HG2 H -14.201 13.292 -4.963 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG2 . . . . . . . . . c19468_2md1 1 . 4 . 1127 . 1 1 13 LYS HG3 H -13.080 12.040 -4.425 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG3 . . . . . . . . . c19468_2md1 1 . 4 . 1128 . 1 1 13 LYS HZ1 H -10.707 11.873 -4.880 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ1 . . . . . . . . . c19468_2md1 1 . 4 . 1129 . 1 1 13 LYS HZ2 H -9.769 13.206 -4.427 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ2 . . . . . . . . . c19468_2md1 1 . 4 . 1130 . 1 1 13 LYS HZ3 H -9.693 12.617 -6.010 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ3 . . . . . . . . . c19468_2md1 1 . 4 . 1131 . 1 1 13 LYS N N -12.985 9.748 -4.867 . . . 1.0 . . . . . . . . . . . . A . 13 LYS N . . . . . . . . . c19468_2md1 1 . 4 . 1132 . 1 1 13 LYS NZ N -10.322 12.784 -5.200 . . . 1.0 . . . . . . . . . . . . A . 13 LYS NZ . . . . . . . . . c19468_2md1 1 . 4 . 1133 . 1 1 13 LYS O O -16.170 8.793 -6.203 . . . 1.0 . . . . . . . . . . . . A . 13 LYS O . . . . . . . . . c19468_2md1 1 . 4 . 1134 . 1 1 14 ASN C C -14.518 5.776 -6.904 . . . 1.0 . . . . . . . . . . . . A . 14 ASN C . . . . . . . . . c19468_2md1 1 . 4 . 1135 . 1 1 14 ASN CA C -14.496 7.114 -7.637 . . . 1.0 . . . . . . . . . . . . A . 14 ASN CA . . . . . . . . . c19468_2md1 1 . 4 . 1136 . 1 1 14 ASN CB C -13.564 7.031 -8.847 . . . 1.0 . . . . . . . . . . . . A . 14 ASN CB . . . . . . . . . c19468_2md1 1 . 4 . 1137 . 1 1 14 ASN CG C -14.156 6.213 -9.978 . . . 1.0 . . . . . . . . . . . . A . 14 ASN CG . . . . . . . . . c19468_2md1 1 . 4 . 1138 . 1 1 14 ASN H H -13.116 8.357 -6.621 . . . 1.0 . . . . . . . . . . . . A . 14 ASN H . . . . . . . . . c19468_2md1 1 . 4 . 1139 . 1 1 14 ASN HA H -15.495 7.341 -7.978 . . . 1.0 . . . . . . . . . . . . A . 14 ASN HA . . . . . . . . . c19468_2md1 1 . 4 . 1140 . 1 1 14 ASN HB2 H -13.369 8.028 -9.213 . . . 1.0 . . . . . . . . . . . . A . 14 ASN HB2 . . . . . . . . . c19468_2md1 1 . 4 . 1141 . 1 1 14 ASN HB3 H -12.633 6.574 -8.546 . . . 1.0 . . . . . . . . . . . . A . 14 ASN HB3 . . . . . . . . . c19468_2md1 1 . 4 . 1142 . 1 1 14 ASN HD21 H -12.392 6.155 -10.893 . . . 1.0 . . . . . . . . . . . . A . 14 ASN HD21 . . . . . . . . . c19468_2md1 1 . 4 . 1143 . 1 1 14 ASN HD22 H -13.684 5.339 -11.700 . . . 1.0 . . . . . . . . . . . . A . 14 ASN HD22 . . . . . . . . . c19468_2md1 1 . 4 . 1144 . 1 1 14 ASN N N -14.073 8.188 -6.745 . . . 1.0 . . . . . . . . . . . . A . 14 ASN N . . . . . . . . . c19468_2md1 1 . 4 . 1145 . 1 1 14 ASN ND2 N -13.327 5.867 -10.956 . . . 1.0 . . . . . . . . . . . . A . 14 ASN ND2 . . . . . . . . . c19468_2md1 1 . 4 . 1146 . 1 1 14 ASN O O -13.829 4.832 -7.292 . . . 1.0 . . . . . . . . . . . . A . 14 ASN O . . . . . . . . . c19468_2md1 1 . 4 . 1147 . 1 1 14 ASN OD1 O -15.346 5.897 -9.973 . . . 1.0 . . . . . . . . . . . . A . 14 ASN OD1 . . . . . . . . . c19468_2md1 1 . 4 . 1148 . 1 1 15 LYS C C -16.588 3.620 -5.553 . . . 1.0 . . . . . . . . . . . . A . 15 LYS C . . . . . . . . . c19468_2md1 1 . 4 . 1149 . 1 1 15 LYS CA C -15.430 4.479 -5.057 . . . 1.0 . . . . . . . . . . . . A . 15 LYS CA . . . . . . . . . c19468_2md1 1 . 4 . 1150 . 1 1 15 LYS CB C -15.629 4.818 -3.578 . . . 1.0 . . . . . . . . . . . . A . 15 LYS CB . . . . . . . . . c19468_2md1 1 . 4 . 1151 . 1 1 15 LYS CD C -14.709 6.376 -1.836 . . . 1.0 . . . . . . . . . . . . A . 15 LYS CD . . . . . . . . . c19468_2md1 1 . 4 . 1152 . 1 1 15 LYS CE C -14.989 5.721 -0.492 . . . 1.0 . . . . . . . . . . . . A . 15 LYS CE . . . . . . . . . c19468_2md1 1 . 4 . 1153 . 1 1 15 LYS CG C -14.375 5.344 -2.900 . . . 1.0 . . . . . . . . . . . . A . 15 LYS CG . . . . . . . . . c19468_2md1 1 . 4 . 1154 . 1 1 15 LYS H H -15.840 6.488 -5.584 . . . 1.0 . . . . . . . . . . . . A . 15 LYS H . . . . . . . . . c19468_2md1 1 . 4 . 1155 . 1 1 15 LYS HA H -14.511 3.924 -5.170 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HA . . . . . . . . . c19468_2md1 1 . 4 . 1156 . 1 1 15 LYS HB2 H -16.401 5.568 -3.493 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HB2 . . . . . . . . . c19468_2md1 1 . 4 . 1157 . 1 1 15 LYS HB3 H -15.946 3.926 -3.057 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HB3 . . . . . . . . . c19468_2md1 1 . 4 . 1158 . 1 1 15 LYS HD2 H -13.873 7.051 -1.727 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HD2 . . . . . . . . . c19468_2md1 1 . 4 . 1159 . 1 1 15 LYS HD3 H -15.583 6.931 -2.146 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HD3 . . . . . . . . . c19468_2md1 1 . 4 . 1160 . 1 1 15 LYS HE2 H -16.054 5.573 -0.394 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HE2 . . . . . . . . . c19468_2md1 1 . 4 . 1161 . 1 1 15 LYS HE3 H -14.488 4.765 -0.462 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HE3 . . . . . . . . . c19468_2md1 1 . 4 . 1162 . 1 1 15 LYS HG2 H -13.854 4.520 -2.436 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HG2 . . . . . . . . . c19468_2md1 1 . 4 . 1163 . 1 1 15 LYS HG3 H -13.740 5.801 -3.645 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HG3 . . . . . . . . . c19468_2md1 1 . 4 . 1164 . 1 1 15 LYS HZ1 H -14.548 7.563 0.388 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HZ1 . . . . . . . . . c19468_2md1 1 . 4 . 1165 . 1 1 15 LYS HZ2 H -13.528 6.307 0.880 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HZ2 . . . . . . . . . c19468_2md1 1 . 4 . 1166 . 1 1 15 LYS HZ3 H -15.106 6.398 1.480 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HZ3 . . . . . . . . . c19468_2md1 1 . 4 . 1167 . 1 1 15 LYS N N -15.315 5.702 -5.844 . . . 1.0 . . . . . . . . . . . . A . 15 LYS N . . . . . . . . . c19468_2md1 1 . 4 . 1168 . 1 1 15 LYS NZ N -14.510 6.556 0.643 . . . 1.0 . . . . . . . . . . . . A . 15 LYS NZ . . . . . . . . . c19468_2md1 1 . 4 . 1169 . 1 1 15 LYS O O -17.435 3.192 -4.770 . . . 1.0 . . . . . . . . . . . . A . 15 LYS O . . . . . . . . . c19468_2md1 1 . 4 . 1170 . 1 1 16 SER C C -17.387 1.075 -7.281 . . . 1.0 . . . . . . . . . . . . A . 16 SER C . . . . . . . . . c19468_2md1 1 . 4 . 1171 . 1 1 16 SER CA C -17.673 2.563 -7.459 . . . 1.0 . . . . . . . . . . . . A . 16 SER CA . . . . . . . . . c19468_2md1 1 . 4 . 1172 . 1 1 16 SER CB C -17.812 2.893 -8.946 . . . 1.0 . . . . . . . . . . . . A . 16 SER CB . . . . . . . . . c19468_2md1 1 . 4 . 1173 . 1 1 16 SER H H -15.913 3.739 -7.431 . . . 1.0 . . . . . . . . . . . . A . 16 SER H . . . . . . . . . c19468_2md1 1 . 4 . 1174 . 1 1 16 SER HA H -18.599 2.802 -6.957 . . . 1.0 . . . . . . . . . . . . A . 16 SER HA . . . . . . . . . c19468_2md1 1 . 4 . 1175 . 1 1 16 SER HB2 H -18.731 2.469 -9.321 . . . 1.0 . . . . . . . . . . . . A . 16 SER HB2 . . . . . . . . . c19468_2md1 1 . 4 . 1176 . 1 1 16 SER HB3 H -17.831 3.965 -9.074 . . . 1.0 . . . . . . . . . . . . A . 16 SER HB3 . . . . . . . . . c19468_2md1 1 . 4 . 1177 . 1 1 16 SER HG H -16.089 3.058 -9.863 . . . 1.0 . . . . . . . . . . . . A . 16 SER HG . . . . . . . . . c19468_2md1 1 . 4 . 1178 . 1 1 16 SER N N -16.617 3.370 -6.858 . . . 1.0 . . . . . . . . . . . . A . 16 SER N . . . . . . . . . c19468_2md1 1 . 4 . 1179 . 1 1 16 SER O O -18.307 0.264 -7.171 . . . 1.0 . . . . . . . . . . . . A . 16 SER O . . . . . . . . . c19468_2md1 1 . 4 . 1180 . 1 1 16 SER OG O -16.728 2.363 -9.690 . . . 1.0 . . . . . . . . . . . . A . 16 SER OG . . . . . . . . . c19468_2md1 1 . 4 . 1181 . 1 1 17 ARG C C -15.958 -1.145 -5.665 . . . 1.0 . . . . . . . . . . . . A . 17 ARG C . . . . . . . . . c19468_2md1 1 . 4 . 1182 . 1 1 17 ARG CA C -15.697 -0.666 -7.090 . . . 1.0 . . . . . . . . . . . . A . 17 ARG CA . . . . . . . . . c19468_2md1 1 . 4 . 1183 . 1 1 17 ARG CB C -14.215 -0.828 -7.430 . . . 1.0 . . . . . . . . . . . . A . 17 ARG CB . . . . . . . . . c19468_2md1 1 . 4 . 1184 . 1 1 17 ARG CD C -14.643 -0.928 -9.905 . . . 1.0 . . . . . . . . . . . . A . 17 ARG CD . . . . . . . . . c19468_2md1 1 . 4 . 1185 . 1 1 17 ARG CG C -13.966 -1.596 -8.718 . . . 1.0 . . . . . . . . . . . . A . 17 ARG CG . . . . . . . . . c19468_2md1 1 . 4 . 1186 . 1 1 17 ARG CZ C -13.825 -2.329 -11.752 . . . 1.0 . . . . . . . . . . . . A . 17 ARG CZ . . . . . . . . . c19468_2md1 1 . 4 . 1187 . 1 1 17 ARG H H -15.418 1.416 -7.345 . . . 1.0 . . . . . . . . . . . . A . 17 ARG H . . . . . . . . . c19468_2md1 1 . 4 . 1188 . 1 1 17 ARG HA H -16.282 -1.266 -7.771 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HA . . . . . . . . . c19468_2md1 1 . 4 . 1189 . 1 1 17 ARG HB2 H -13.771 0.152 -7.530 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HB2 . . . . . . . . . c19468_2md1 1 . 4 . 1190 . 1 1 17 ARG HB3 H -13.728 -1.354 -6.623 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HB3 . . . . . . . . . c19468_2md1 1 . 4 . 1191 . 1 1 17 ARG HD2 H -15.639 -1.333 -10.009 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HD2 . . . . . . . . . c19468_2md1 1 . 4 . 1192 . 1 1 17 ARG HD3 H -14.704 0.133 -9.716 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HD3 . . . . . . . . . c19468_2md1 1 . 4 . 1193 . 1 1 17 ARG HE H -13.459 -0.378 -11.552 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HE . . . . . . . . . c19468_2md1 1 . 4 . 1194 . 1 1 17 ARG HG2 H -12.902 -1.638 -8.902 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HG2 . . . . . . . . . c19468_2md1 1 . 4 . 1195 . 1 1 17 ARG HG3 H -14.355 -2.597 -8.609 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HG3 . . . . . . . . . c19468_2md1 1 . 4 . 1196 . 1 1 17 ARG HH11 H -14.942 -3.301 -10.378 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HH11 . . . . . . . . . c19468_2md1 1 . 4 . 1197 . 1 1 17 ARG HH12 H -14.359 -4.277 -11.686 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HH12 . . . . . . . . . c19468_2md1 1 . 4 . 1198 . 1 1 17 ARG HH21 H -12.686 -1.652 -13.279 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HH21 . . . . . . . . . c19468_2md1 1 . 4 . 1199 . 1 1 17 ARG HH22 H -13.075 -3.338 -13.335 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HH22 . . . . . . . . . c19468_2md1 1 . 4 . 1200 . 1 1 17 ARG N N -16.105 0.724 -7.253 . . . 1.0 . . . . . . . . . . . . A . 17 ARG N . . . . . . . . . c19468_2md1 1 . 4 . 1201 . 1 1 17 ARG NE N -13.910 -1.149 -11.148 . . . 1.0 . . . . . . . . . . . . A . 17 ARG NE . . . . . . . . . c19468_2md1 1 . 4 . 1202 . 1 1 17 ARG NH1 N -14.424 -3.389 -11.229 . . . 1.0 . . . . . . . . . . . . A . 17 ARG NH1 . . . . . . . . . c19468_2md1 1 . 4 . 1203 . 1 1 17 ARG NH2 N -13.139 -2.450 -12.881 . . . 1.0 . . . . . . . . . . . . A . 17 ARG NH2 . . . . . . . . . c19468_2md1 1 . 4 . 1204 . 1 1 17 ARG O O -16.329 -2.298 -5.445 . . . 1.0 . . . . . . . . . . . . A . 17 ARG O . . . . . . . . . c19468_2md1 1 . 5 . 1205 . 1 1 1 TRP C C 1.861 0.431 -2.240 . . . 1.0 . . . . . . . . . . . . A . 1 TRP C . . . . . . . . . c19468_2md1 1 . 5 . 1206 . 1 1 1 TRP CA C 1.992 -1.077 -2.057 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CA . . . . . . . . . c19468_2md1 1 . 5 . 1207 . 1 1 1 TRP CB C 1.939 -1.775 -3.417 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CB . . . . . . . . . c19468_2md1 1 . 5 . 1208 . 1 1 1 TRP CD1 C 4.485 -1.970 -3.633 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD1 . . . . . . . . . c19468_2md1 1 . 5 . 1209 . 1 1 1 TRP CD2 C 3.436 -1.457 -5.544 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD2 . . . . . . . . . c19468_2md1 1 . 5 . 1210 . 1 1 1 TRP CE2 C 4.819 -1.533 -5.797 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE2 . . . . . . . . . c19468_2md1 1 . 5 . 1211 . 1 1 1 TRP CE3 C 2.574 -1.148 -6.599 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE3 . . . . . . . . . c19468_2md1 1 . 5 . 1212 . 1 1 1 TRP CG C 3.244 -1.740 -4.154 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CG . . . . . . . . . c19468_2md1 1 . 5 . 1213 . 1 1 1 TRP CH2 C 4.490 -1.010 -8.077 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CH2 . . . . . . . . . c19468_2md1 1 . 5 . 1214 . 1 1 1 TRP CZ2 C 5.357 -1.310 -7.062 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ2 . . . . . . . . . c19468_2md1 1 . 5 . 1215 . 1 1 1 TRP CZ3 C 3.109 -0.927 -7.854 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ3 . . . . . . . . . c19468_2md1 1 . 5 . 1216 . 1 1 1 TRP H1 H 0.032 -1.690 -1.540 . . . 1.0 . . . . . . . . . . . . A . 1 TRP H1 . . . . . . . . . c19468_2md1 1 . 5 . 1217 . 1 1 1 TRP HA H 2.942 -1.291 -1.590 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HA . . . . . . . . . c19468_2md1 1 . 5 . 1218 . 1 1 1 TRP HB2 H 1.665 -2.809 -3.274 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB2 . . . . . . . . . c19468_2md1 1 . 5 . 1219 . 1 1 1 TRP HB3 H 1.195 -1.291 -4.033 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB3 . . . . . . . . . c19468_2md1 1 . 5 . 1220 . 1 1 1 TRP HD1 H 4.675 -2.211 -2.598 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HD1 . . . . . . . . . c19468_2md1 1 . 5 . 1221 . 1 1 1 TRP HE1 H 6.402 -1.966 -4.491 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE1 . . . . . . . . . c19468_2md1 1 . 5 . 1222 . 1 1 1 TRP HE3 H 1.507 -1.079 -6.447 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE3 . . . . . . . . . c19468_2md1 1 . 5 . 1223 . 1 1 1 TRP HH2 H 4.865 -0.829 -9.073 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HH2 . . . . . . . . . c19468_2md1 1 . 5 . 1224 . 1 1 1 TRP HZ2 H 6.419 -1.371 -7.250 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ2 . . . . . . . . . c19468_2md1 1 . 5 . 1225 . 1 1 1 TRP HZ3 H 2.459 -0.686 -8.682 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ3 . . . . . . . . . c19468_2md1 1 . 5 . 1226 . 1 1 1 TRP N N 0.940 -1.589 -1.185 . . . 1.0 . . . . . . . . . . . . A . 1 TRP N . . . . . . . . . c19468_2md1 1 . 5 . 1227 . 1 1 1 TRP NE1 N 5.437 -1.847 -4.616 . . . 1.0 . . . . . . . . . . . . A . 1 TRP NE1 . . . . . . . . . c19468_2md1 1 . 5 . 1228 . 1 1 1 TRP O O 0.952 0.908 -2.920 . . . 1.0 . . . . . . . . . . . . A . 1 TRP O . . . . . . . . . c19468_2md1 1 . 5 . 1229 . 1 1 2 LYS C C 2.674 3.080 -3.182 . . . 1.0 . . . . . . . . . . . . A . 2 LYS C . . . . . . . . . c19468_2md1 1 . 5 . 1230 . 1 1 2 LYS CA C 2.764 2.633 -1.726 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CA . . . . . . . . . c19468_2md1 1 . 5 . 1231 . 1 1 2 LYS CB C 4.021 3.217 -1.079 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CB . . . . . . . . . c19468_2md1 1 . 5 . 1232 . 1 1 2 LYS CD C 6.021 3.652 -2.535 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CD . . . . . . . . . c19468_2md1 1 . 5 . 1233 . 1 1 2 LYS CE C 6.988 4.521 -1.746 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CE . . . . . . . . . c19468_2md1 1 . 5 . 1234 . 1 1 2 LYS CG C 5.314 2.649 -1.639 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CG . . . . . . . . . c19468_2md1 1 . 5 . 1235 . 1 1 2 LYS H H 3.476 0.739 -1.102 . . . 1.0 . . . . . . . . . . . . A . 2 LYS H . . . . . . . . . c19468_2md1 1 . 5 . 1236 . 1 1 2 LYS HA H 1.895 2.994 -1.197 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HA . . . . . . . . . c19468_2md1 1 . 5 . 1237 . 1 1 2 LYS HB2 H 4.026 4.286 -1.231 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB2 . . . . . . . . . c19468_2md1 1 . 5 . 1238 . 1 1 2 LYS HB3 H 3.993 3.013 -0.018 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB3 . . . . . . . . . c19468_2md1 1 . 5 . 1239 . 1 1 2 LYS HD2 H 6.572 3.117 -3.294 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD2 . . . . . . . . . c19468_2md1 1 . 5 . 1240 . 1 1 2 LYS HD3 H 5.282 4.286 -3.005 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD3 . . . . . . . . . c19468_2md1 1 . 5 . 1241 . 1 1 2 LYS HE2 H 6.441 5.346 -1.315 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE2 . . . . . . . . . c19468_2md1 1 . 5 . 1242 . 1 1 2 LYS HE3 H 7.423 3.926 -0.957 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE3 . . . . . . . . . c19468_2md1 1 . 5 . 1243 . 1 1 2 LYS HG2 H 5.969 2.392 -0.819 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG2 . . . . . . . . . c19468_2md1 1 . 5 . 1244 . 1 1 2 LYS HG3 H 5.088 1.763 -2.213 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG3 . . . . . . . . . c19468_2md1 1 . 5 . 1245 . 1 1 2 LYS HZ1 H 8.261 6.055 -2.371 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ1 . . . . . . . . . c19468_2md1 1 . 5 . 1246 . 1 1 2 LYS HZ2 H 7.809 4.993 -3.608 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ2 . . . . . . . . . c19468_2md1 1 . 5 . 1247 . 1 1 2 LYS HZ3 H 8.952 4.514 -2.458 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ3 . . . . . . . . . c19468_2md1 1 . 5 . 1248 . 1 1 2 LYS N N 2.775 1.178 -1.630 . . . 1.0 . . . . . . . . . . . . A . 2 LYS N . . . . . . . . . c19468_2md1 1 . 5 . 1249 . 1 1 2 LYS NZ N 8.079 5.059 -2.606 . . . 1.0 . . . . . . . . . . . . A . 2 LYS NZ . . . . . . . . . c19468_2md1 1 . 5 . 1250 . 1 1 2 LYS O O 2.199 4.178 -3.476 . . . 1.0 . . . . . . . . . . . . A . 2 LYS O . . . . . . . . . c19468_2md1 1 . 5 . 1251 . 1 1 3 LEU C C 1.685 2.418 -6.066 . . . 1.0 . . . . . . . . . . . . A . 3 LEU C . . . . . . . . . c19468_2md1 1 . 5 . 1252 . 1 1 3 LEU CA C 3.102 2.532 -5.514 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CA . . . . . . . . . c19468_2md1 1 . 5 . 1253 . 1 1 3 LEU CB C 4.036 1.591 -6.279 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CB . . . . . . . . . c19468_2md1 1 . 5 . 1254 . 1 1 3 LEU CD1 C 4.746 3.429 -7.829 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CD1 . . . . . . . . . c19468_2md1 1 . 5 . 1255 . 1 1 3 LEU CD2 C 6.266 2.698 -5.981 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CD2 . . . . . . . . . c19468_2md1 1 . 5 . 1256 . 1 1 3 LEU CG C 5.218 2.251 -6.990 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CG . . . . . . . . . c19468_2md1 1 . 5 . 1257 . 1 1 3 LEU H H 3.500 1.366 -3.794 . . . 1.0 . . . . . . . . . . . . A . 3 LEU H . . . . . . . . . c19468_2md1 1 . 5 . 1258 . 1 1 3 LEU HA H 3.445 3.548 -5.642 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HA . . . . . . . . . c19468_2md1 1 . 5 . 1259 . 1 1 3 LEU HB2 H 4.432 0.875 -5.575 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HB2 . . . . . . . . . c19468_2md1 1 . 5 . 1260 . 1 1 3 LEU HB3 H 3.447 1.075 -7.023 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HB3 . . . . . . . . . c19468_2md1 1 . 5 . 1261 . 1 1 3 LEU HD11 H 5.309 4.310 -7.561 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD11 . . . . . . . . . c19468_2md1 1 . 5 . 1262 . 1 1 3 LEU HD12 H 3.696 3.603 -7.646 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD12 . . . . . . . . . c19468_2md1 1 . 5 . 1263 . 1 1 3 LEU HD13 H 4.897 3.209 -8.875 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD13 . . . . . . . . . c19468_2md1 1 . 5 . 1264 . 1 1 3 LEU HD21 H 5.917 3.582 -5.468 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD21 . . . . . . . . . c19468_2md1 1 . 5 . 1265 . 1 1 3 LEU HD22 H 7.188 2.921 -6.496 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD22 . . . . . . . . . c19468_2md1 1 . 5 . 1266 . 1 1 3 LEU HD23 H 6.435 1.907 -5.264 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD23 . . . . . . . . . c19468_2md1 1 . 5 . 1267 . 1 1 3 LEU HG H 5.677 1.532 -7.654 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HG . . . . . . . . . c19468_2md1 1 . 5 . 1268 . 1 1 3 LEU N N 3.132 2.225 -4.089 . . . 1.0 . . . . . . . . . . . . A . 3 LEU N . . . . . . . . . c19468_2md1 1 . 5 . 1269 . 1 1 3 LEU O O 1.256 3.237 -6.880 . . . 1.0 . . . . . . . . . . . . A . 3 LEU O . . . . . . . . . c19468_2md1 1 . 5 . 1270 . 1 1 4 LEU C C -1.388 2.033 -5.261 . . . 1.0 . . . . . . . . . . . . A . 4 LEU C . . . . . . . . . c19468_2md1 1 . 5 . 1271 . 1 1 4 LEU CA C -0.411 1.180 -6.063 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CA . . . . . . . . . c19468_2md1 1 . 5 . 1272 . 1 1 4 LEU CB C -0.780 -0.299 -5.932 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CB . . . . . . . . . c19468_2md1 1 . 5 . 1273 . 1 1 4 LEU CD1 C -0.161 -0.344 -8.360 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD1 . . . . . . . . . c19468_2md1 1 . 5 . 1274 . 1 1 4 LEU CD2 C -0.284 -2.480 -7.064 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD2 . . . . . . . . . c19468_2md1 1 . 5 . 1275 . 1 1 4 LEU CG C -0.871 -1.087 -7.239 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CG . . . . . . . . . c19468_2md1 1 . 5 . 1276 . 1 1 4 LEU H H 1.356 0.780 -4.969 . . . 1.0 . . . . . . . . . . . . A . 4 LEU H . . . . . . . . . c19468_2md1 1 . 5 . 1277 . 1 1 4 LEU HA H -0.471 1.466 -7.102 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HA . . . . . . . . . c19468_2md1 1 . 5 . 1278 . 1 1 4 LEU HB2 H -0.034 -0.772 -5.312 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB2 . . . . . . . . . c19468_2md1 1 . 5 . 1279 . 1 1 4 LEU HB3 H -1.742 -0.357 -5.442 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB3 . . . . . . . . . c19468_2md1 1 . 5 . 1280 . 1 1 4 LEU HD11 H 0.770 0.059 -7.992 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD11 . . . . . . . . . c19468_2md1 1 . 5 . 1281 . 1 1 4 LEU HD12 H -0.788 0.461 -8.712 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD12 . . . . . . . . . c19468_2md1 1 . 5 . 1282 . 1 1 4 LEU HD13 H 0.038 -1.026 -9.174 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD13 . . . . . . . . . c19468_2md1 1 . 5 . 1283 . 1 1 4 LEU HD21 H 0.654 -2.545 -7.596 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD21 . . . . . . . . . c19468_2md1 1 . 5 . 1284 . 1 1 4 LEU HD22 H -0.973 -3.212 -7.458 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD22 . . . . . . . . . c19468_2md1 1 . 5 . 1285 . 1 1 4 LEU HD23 H -0.117 -2.671 -6.014 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD23 . . . . . . . . . c19468_2md1 1 . 5 . 1286 . 1 1 4 LEU HG H -1.911 -1.194 -7.516 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HG . . . . . . . . . c19468_2md1 1 . 5 . 1287 . 1 1 4 LEU N N 0.960 1.400 -5.616 . . . 1.0 . . . . . . . . . . . . A . 4 LEU N . . . . . . . . . c19468_2md1 1 . 5 . 1288 . 1 1 4 LEU O O -2.443 2.422 -5.761 . . . 1.0 . . . . . . . . . . . . A . 4 LEU O . . . . . . . . . c19468_2md1 1 . 5 . 1289 . 1 1 5 SER C C -1.791 4.604 -3.517 . . . 1.0 . . . . . . . . . . . . A . 5 SER C . . . . . . . . . c19468_2md1 1 . 5 . 1290 . 1 1 5 SER CA C -1.874 3.128 -3.142 . . . 1.0 . . . . . . . . . . . . A . 5 SER CA . . . . . . . . . c19468_2md1 1 . 5 . 1291 . 1 1 5 SER CB C -1.465 2.937 -1.680 . . . 1.0 . . . . . . . . . . . . A . 5 SER CB . . . . . . . . . c19468_2md1 1 . 5 . 1292 . 1 1 5 SER H H -0.175 1.982 -3.672 . . . 1.0 . . . . . . . . . . . . A . 5 SER H . . . . . . . . . c19468_2md1 1 . 5 . 1293 . 1 1 5 SER HA H -2.894 2.794 -3.267 . . . 1.0 . . . . . . . . . . . . A . 5 SER HA . . . . . . . . . c19468_2md1 1 . 5 . 1294 . 1 1 5 SER HB2 H -0.388 2.961 -1.605 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB2 . . . . . . . . . c19468_2md1 1 . 5 . 1295 . 1 1 5 SER HB3 H -1.886 3.734 -1.084 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB3 . . . . . . . . . c19468_2md1 1 . 5 . 1296 . 1 1 5 SER HG H -2.643 1.850 -0.555 . . . 1.0 . . . . . . . . . . . . A . 5 SER HG . . . . . . . . . c19468_2md1 1 . 5 . 1297 . 1 1 5 SER N N -1.029 2.322 -4.014 . . . 1.0 . . . . . . . . . . . . A . 5 SER N . . . . . . . . . c19468_2md1 1 . 5 . 1298 . 1 1 5 SER O O -2.651 5.402 -3.144 . . . 1.0 . . . . . . . . . . . . A . 5 SER O . . . . . . . . . c19468_2md1 1 . 5 . 1299 . 1 1 5 SER OG O -1.930 1.696 -1.178 . . . 1.0 . . . . . . . . . . . . A . 5 SER OG . . . . . . . . . c19468_2md1 1 . 5 . 1300 . 1 1 6 LYS C C -0.929 6.516 -6.152 . . . 1.0 . . . . . . . . . . . . A . 6 LYS C . . . . . . . . . c19468_2md1 1 . 5 . 1301 . 1 1 6 LYS CA C -0.548 6.341 -4.685 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CA . . . . . . . . . c19468_2md1 1 . 5 . 1302 . 1 1 6 LYS CB C 0.909 6.758 -4.472 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CB . . . . . . . . . c19468_2md1 1 . 5 . 1303 . 1 1 6 LYS CD C 2.012 7.095 -6.703 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CD . . . . . . . . . c19468_2md1 1 . 5 . 1304 . 1 1 6 LYS CE C 3.463 7.204 -7.146 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CE . . . . . . . . . c19468_2md1 1 . 5 . 1305 . 1 1 6 LYS CG C 1.864 6.179 -5.501 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CG . . . . . . . . . c19468_2md1 1 . 5 . 1306 . 1 1 6 LYS H H -0.094 4.280 -4.523 . . . 1.0 . . . . . . . . . . . . A . 6 LYS H . . . . . . . . . c19468_2md1 1 . 5 . 1307 . 1 1 6 LYS HA H -1.186 6.971 -4.083 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HA . . . . . . . . . c19468_2md1 1 . 5 . 1308 . 1 1 6 LYS HB2 H 0.973 7.836 -4.519 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB2 . . . . . . . . . c19468_2md1 1 . 5 . 1309 . 1 1 6 LYS HB3 H 1.225 6.430 -3.492 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB3 . . . . . . . . . c19468_2md1 1 . 5 . 1310 . 1 1 6 LYS HD2 H 1.427 6.700 -7.521 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD2 . . . . . . . . . c19468_2md1 1 . 5 . 1311 . 1 1 6 LYS HD3 H 1.650 8.080 -6.441 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD3 . . . . . . . . . c19468_2md1 1 . 5 . 1312 . 1 1 6 LYS HE2 H 4.014 7.754 -6.397 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE2 . . . . . . . . . c19468_2md1 1 . 5 . 1313 . 1 1 6 LYS HE3 H 3.874 6.210 -7.236 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE3 . . . . . . . . . c19468_2md1 1 . 5 . 1314 . 1 1 6 LYS HG2 H 2.833 6.043 -5.043 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG2 . . . . . . . . . c19468_2md1 1 . 5 . 1315 . 1 1 6 LYS HG3 H 1.484 5.223 -5.833 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG3 . . . . . . . . . c19468_2md1 1 . 5 . 1316 . 1 1 6 LYS HZ1 H 4.496 8.418 -8.496 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ1 . . . . . . . . . c19468_2md1 1 . 5 . 1317 . 1 1 6 LYS HZ2 H 2.814 8.582 -8.575 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ2 . . . . . . . . . c19468_2md1 1 . 5 . 1318 . 1 1 6 LYS HZ3 H 3.562 7.215 -9.232 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ3 . . . . . . . . . c19468_2md1 1 . 5 . 1319 . 1 1 6 LYS N N -0.747 4.962 -4.257 . . . 1.0 . . . . . . . . . . . . A . 6 LYS N . . . . . . . . . c19468_2md1 1 . 5 . 1320 . 1 1 6 LYS NZ N 3.593 7.904 -8.454 . . . 1.0 . . . . . . . . . . . . A . 6 LYS NZ . . . . . . . . . c19468_2md1 1 . 5 . 1321 . 1 1 6 LYS O O -1.169 7.632 -6.612 . . . 1.0 . . . . . . . . . . . . A . 6 LYS O . . . . . . . . . c19468_2md1 1 . 5 . 1322 . 1 1 7 ALA C C -2.792 5.030 -8.504 . . . 1.0 . . . . . . . . . . . . A . 7 ALA C . . . . . . . . . c19468_2md1 1 . 5 . 1323 . 1 1 7 ALA CA C -1.337 5.437 -8.294 . . . 1.0 . . . . . . . . . . . . A . 7 ALA CA . . . . . . . . . c19468_2md1 1 . 5 . 1324 . 1 1 7 ALA CB C -0.413 4.527 -9.090 . . . 1.0 . . . . . . . . . . . . A . 7 ALA CB . . . . . . . . . c19468_2md1 1 . 5 . 1325 . 1 1 7 ALA H H -0.780 4.546 -6.457 . . . 1.0 . . . . . . . . . . . . A . 7 ALA H . . . . . . . . . c19468_2md1 1 . 5 . 1326 . 1 1 7 ALA HA H -1.202 6.448 -8.650 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HA . . . . . . . . . c19468_2md1 1 . 5 . 1327 . 1 1 7 ALA HB1 H -0.589 3.500 -8.807 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB1 . . . . . . . . . c19468_2md1 1 . 5 . 1328 . 1 1 7 ALA HB2 H -0.610 4.649 -10.145 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB2 . . . . . . . . . c19468_2md1 1 . 5 . 1329 . 1 1 7 ALA HB3 H 0.614 4.787 -8.883 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB3 . . . . . . . . . c19468_2md1 1 . 5 . 1330 . 1 1 7 ALA N N -0.983 5.406 -6.881 . . . 1.0 . . . . . . . . . . . . A . 7 ALA N . . . . . . . . . c19468_2md1 1 . 5 . 1331 . 1 1 7 ALA O O -3.347 5.215 -9.587 . . . 1.0 . . . . . . . . . . . . A . 7 ALA O . . . . . . . . . c19468_2md1 1 . 5 . 1332 . 1 1 8 GLN C C -5.682 4.917 -6.655 . . . 1.0 . . . . . . . . . . . . A . 8 GLN C . . . . . . . . . c19468_2md1 1 . 5 . 1333 . 1 1 8 GLN CA C -4.794 4.043 -7.534 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CA . . . . . . . . . c19468_2md1 1 . 5 . 1334 . 1 1 8 GLN CB C -4.916 2.579 -7.107 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CB . . . . . . . . . c19468_2md1 1 . 5 . 1335 . 1 1 8 GLN CD C -4.048 0.221 -7.371 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CD . . . . . . . . . c19468_2md1 1 . 5 . 1336 . 1 1 8 GLN CG C -4.048 1.634 -7.922 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CG . . . . . . . . . c19468_2md1 1 . 5 . 1337 . 1 1 8 GLN H H -2.908 4.357 -6.625 . . . 1.0 . . . . . . . . . . . . A . 8 GLN H . . . . . . . . . c19468_2md1 1 . 5 . 1338 . 1 1 8 GLN HA H -5.118 4.138 -8.559 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HA . . . . . . . . . c19468_2md1 1 . 5 . 1339 . 1 1 8 GLN HB2 H -4.629 2.494 -6.070 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB2 . . . . . . . . . c19468_2md1 1 . 5 . 1340 . 1 1 8 GLN HB3 H -5.945 2.270 -7.214 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB3 . . . . . . . . . c19468_2md1 1 . 5 . 1341 . 1 1 8 GLN HE21 H -4.345 -0.516 -9.193 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE21 . . . . . . . . . c19468_2md1 1 . 5 . 1342 . 1 1 8 GLN HE22 H -4.230 -1.680 -7.922 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE22 . . . . . . . . . c19468_2md1 1 . 5 . 1343 . 1 1 8 GLN HG2 H -4.419 1.608 -8.935 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG2 . . . . . . . . . c19468_2md1 1 . 5 . 1344 . 1 1 8 GLN HG3 H -3.034 2.005 -7.920 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG3 . . . . . . . . . c19468_2md1 1 . 5 . 1345 . 1 1 8 GLN N N -3.403 4.477 -7.462 . . . 1.0 . . . . . . . . . . . . A . 8 GLN N . . . . . . . . . c19468_2md1 1 . 5 . 1346 . 1 1 8 GLN NE2 N -4.226 -0.757 -8.250 . . . 1.0 . . . . . . . . . . . . A . 8 GLN NE2 . . . . . . . . . c19468_2md1 1 . 5 . 1347 . 1 1 8 GLN O O -6.885 5.029 -6.890 . . . 1.0 . . . . . . . . . . . . A . 8 GLN O . . . . . . . . . c19468_2md1 1 . 5 . 1348 . 1 1 8 GLN OE1 O -3.889 0.012 -6.168 . . . 1.0 . . . . . . . . . . . . A . 8 GLN OE1 . . . . . . . . . c19468_2md1 1 . 5 . 1349 . 1 1 9 GLU C C -6.512 7.527 -5.485 . . . 1.0 . . . . . . . . . . . . A . 9 GLU C . . . . . . . . . c19468_2md1 1 . 5 . 1350 . 1 1 9 GLU CA C -5.821 6.397 -4.728 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CA . . . . . . . . . c19468_2md1 1 . 5 . 1351 . 1 1 9 GLU CB C -4.882 6.978 -3.669 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CB . . . . . . . . . c19468_2md1 1 . 5 . 1352 . 1 1 9 GLU CD C -4.610 8.637 -1.783 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CD . . . . . . . . . c19468_2md1 1 . 5 . 1353 . 1 1 9 GLU CG C -5.422 8.230 -2.997 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CG . . . . . . . . . c19468_2md1 1 . 5 . 1354 . 1 1 9 GLU H H -4.120 5.405 -5.506 . . . 1.0 . . . . . . . . . . . . A . 9 GLU H . . . . . . . . . c19468_2md1 1 . 5 . 1355 . 1 1 9 GLU HA H -6.572 5.796 -4.238 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HA . . . . . . . . . c19468_2md1 1 . 5 . 1356 . 1 1 9 GLU HB2 H -4.710 6.231 -2.908 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HB2 . . . . . . . . . c19468_2md1 1 . 5 . 1357 . 1 1 9 GLU HB3 H -3.940 7.225 -4.137 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HB3 . . . . . . . . . c19468_2md1 1 . 5 . 1358 . 1 1 9 GLU HG2 H -5.406 9.041 -3.710 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HG2 . . . . . . . . . c19468_2md1 1 . 5 . 1359 . 1 1 9 GLU HG3 H -6.440 8.045 -2.686 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HG3 . . . . . . . . . c19468_2md1 1 . 5 . 1360 . 1 1 9 GLU N N -5.082 5.534 -5.642 . . . 1.0 . . . . . . . . . . . . A . 9 GLU N . . . . . . . . . c19468_2md1 1 . 5 . 1361 . 1 1 9 GLU O O -7.510 8.081 -5.023 . . . 1.0 . . . . . . . . . . . . A . 9 GLU O . . . . . . . . . c19468_2md1 1 . 5 . 1362 . 1 1 9 GLU OE1 O -4.686 7.933 -0.755 . . . 1.0 . . . . . . . . . . . . A . 9 GLU OE1 . . . . . . . . . c19468_2md1 1 . 5 . 1363 . 1 1 9 GLU OE2 O -3.898 9.660 -1.862 . . . 1.0 . . . . . . . . . . . . A . 9 GLU OE2 . . . . . . . . . c19468_2md1 1 . 5 . 1364 . 1 1 10 LYS C C -7.684 8.399 -8.336 . . . 1.0 . . . . . . . . . . . . A . 10 LYS C . . . . . . . . . c19468_2md1 1 . 5 . 1365 . 1 1 10 LYS CA C -6.539 8.926 -7.477 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CA . . . . . . . . . c19468_2md1 1 . 5 . 1366 . 1 1 10 LYS CB C -5.456 9.536 -8.370 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CB . . . . . . . . . c19468_2md1 1 . 5 . 1367 . 1 1 10 LYS CD C -3.569 8.233 -9.395 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CD . . . . . . . . . c19468_2md1 1 . 5 . 1368 . 1 1 10 LYS CE C -2.646 9.412 -9.660 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CE . . . . . . . . . c19468_2md1 1 . 5 . 1369 . 1 1 10 LYS CG C -5.031 8.633 -9.514 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CG . . . . . . . . . c19468_2md1 1 . 5 . 1370 . 1 1 10 LYS H H -5.180 7.385 -6.969 . . . 1.0 . . . . . . . . . . . . A . 10 LYS H . . . . . . . . . c19468_2md1 1 . 5 . 1371 . 1 1 10 LYS HA H -6.922 9.690 -6.817 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HA . . . . . . . . . c19468_2md1 1 . 5 . 1372 . 1 1 10 LYS HB2 H -5.829 10.460 -8.787 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB2 . . . . . . . . . c19468_2md1 1 . 5 . 1373 . 1 1 10 LYS HB3 H -4.586 9.750 -7.765 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB3 . . . . . . . . . c19468_2md1 1 . 5 . 1374 . 1 1 10 LYS HD2 H -3.386 7.864 -8.397 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD2 . . . . . . . . . c19468_2md1 1 . 5 . 1375 . 1 1 10 LYS HD3 H -3.359 7.453 -10.113 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD3 . . . . . . . . . c19468_2md1 1 . 5 . 1376 . 1 1 10 LYS HE2 H -2.318 9.372 -10.688 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE2 . . . . . . . . . c19468_2md1 1 . 5 . 1377 . 1 1 10 LYS HE3 H -3.194 10.327 -9.493 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE3 . . . . . . . . . c19468_2md1 1 . 5 . 1378 . 1 1 10 LYS HG2 H -5.639 7.741 -9.501 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG2 . . . . . . . . . c19468_2md1 1 . 5 . 1379 . 1 1 10 LYS HG3 H -5.176 9.157 -10.448 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG3 . . . . . . . . . c19468_2md1 1 . 5 . 1380 . 1 1 10 LYS HZ1 H -0.648 8.949 -9.259 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ1 . . . . . . . . . c19468_2md1 1 . 5 . 1381 . 1 1 10 LYS HZ2 H -1.660 8.851 -7.906 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ2 . . . . . . . . . c19468_2md1 1 . 5 . 1382 . 1 1 10 LYS HZ3 H -1.190 10.362 -8.503 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ3 . . . . . . . . . c19468_2md1 1 . 5 . 1383 . 1 1 10 LYS N N -5.975 7.864 -6.653 . . . 1.0 . . . . . . . . . . . . A . 10 LYS N . . . . . . . . . c19468_2md1 1 . 5 . 1384 . 1 1 10 LYS NZ N -1.452 9.392 -8.770 . . . 1.0 . . . . . . . . . . . . A . 10 LYS NZ . . . . . . . . . c19468_2md1 1 . 5 . 1385 . 1 1 10 LYS O O -8.175 9.093 -9.227 . . . 1.0 . . . . . . . . . . . . A . 10 LYS O . . . . . . . . . c19468_2md1 1 . 5 . 1386 . 1 1 11 PHE C C -10.339 6.159 -7.881 . . . 1.0 . . . . . . . . . . . . A . 11 PHE C . . . . . . . . . c19468_2md1 1 . 5 . 1387 . 1 1 11 PHE CA C -9.193 6.550 -8.810 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CA . . . . . . . . . c19468_2md1 1 . 5 . 1388 . 1 1 11 PHE CB C -8.687 5.316 -9.560 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CB . . . . . . . . . c19468_2md1 1 . 5 . 1389 . 1 1 11 PHE CD1 C -8.046 6.649 -11.587 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CD1 . . . . . . . . . c19468_2md1 1 . 5 . 1390 . 1 1 11 PHE CD2 C -6.560 4.942 -10.837 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CD2 . . . . . . . . . c19468_2md1 1 . 5 . 1391 . 1 1 11 PHE CE1 C -7.182 6.950 -12.623 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CE1 . . . . . . . . . c19468_2md1 1 . 5 . 1392 . 1 1 11 PHE CE2 C -5.691 5.239 -11.871 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CE2 . . . . . . . . . c19468_2md1 1 . 5 . 1393 . 1 1 11 PHE CG C -7.745 5.642 -10.684 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CG . . . . . . . . . c19468_2md1 1 . 5 . 1394 . 1 1 11 PHE CZ C -6.003 6.245 -12.764 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CZ . . . . . . . . . c19468_2md1 1 . 5 . 1395 . 1 1 11 PHE H H -7.674 6.666 -7.340 . . . 1.0 . . . . . . . . . . . . A . 11 PHE H . . . . . . . . . c19468_2md1 1 . 5 . 1396 . 1 1 11 PHE HA H -9.556 7.271 -9.525 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HA . . . . . . . . . c19468_2md1 1 . 5 . 1397 . 1 1 11 PHE HB2 H -8.166 4.671 -8.868 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HB2 . . . . . . . . . c19468_2md1 1 . 5 . 1398 . 1 1 11 PHE HB3 H -9.530 4.785 -9.975 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HB3 . . . . . . . . . c19468_2md1 1 . 5 . 1399 . 1 1 11 PHE HD1 H -8.968 7.202 -11.477 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HD1 . . . . . . . . . c19468_2md1 1 . 5 . 1400 . 1 1 11 PHE HD2 H -6.315 4.154 -10.138 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HD2 . . . . . . . . . c19468_2md1 1 . 5 . 1401 . 1 1 11 PHE HE1 H -7.428 7.738 -13.320 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HE1 . . . . . . . . . c19468_2md1 1 . 5 . 1402 . 1 1 11 PHE HE2 H -4.770 4.686 -11.978 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HE2 . . . . . . . . . c19468_2md1 1 . 5 . 1403 . 1 1 11 PHE HZ H -5.326 6.479 -13.573 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HZ . . . . . . . . . c19468_2md1 1 . 5 . 1404 . 1 1 11 PHE N N -8.105 7.169 -8.062 . . . 1.0 . . . . . . . . . . . . A . 11 PHE N . . . . . . . . . c19468_2md1 1 . 5 . 1405 . 1 1 11 PHE O O -11.114 5.252 -8.180 . . . 1.0 . . . . . . . . . . . . A . 11 PHE O . . . . . . . . . c19468_2md1 1 . 5 . 1406 . 1 1 12 GLY C C -12.626 7.565 -5.861 . . . 1.0 . . . . . . . . . . . . A . 12 GLY C . . . . . . . . . c19468_2md1 1 . 5 . 1407 . 1 1 12 GLY CA C -11.491 6.563 -5.793 . . . 1.0 . . . . . . . . . . . . A . 12 GLY CA . . . . . . . . . c19468_2md1 1 . 5 . 1408 . 1 1 12 GLY H H -9.791 7.564 -6.564 . . . 1.0 . . . . . . . . . . . . A . 12 GLY H . . . . . . . . . c19468_2md1 1 . 5 . 1409 . 1 1 12 GLY HA2 H -11.882 5.577 -5.992 . . . 1.0 . . . . . . . . . . . . A . 12 GLY HA2 . . . . . . . . . c19468_2md1 1 . 5 . 1410 . 1 1 12 GLY HA3 H -11.071 6.579 -4.798 . . . 1.0 . . . . . . . . . . . . A . 12 GLY HA3 . . . . . . . . . c19468_2md1 1 . 5 . 1411 . 1 1 12 GLY N N -10.438 6.852 -6.750 . . . 1.0 . . . . . . . . . . . . A . 12 GLY N . . . . . . . . . c19468_2md1 1 . 5 . 1412 . 1 1 12 GLY O O -12.894 8.278 -4.894 . . . 1.0 . . . . . . . . . . . . A . 12 GLY O . . . . . . . . . c19468_2md1 1 . 5 . 1413 . 1 1 13 LYS C C -15.725 7.785 -7.340 . . . 1.0 . . . . . . . . . . . . A . 13 LYS C . . . . . . . . . c19468_2md1 1 . 5 . 1414 . 1 1 13 LYS CA C -14.409 8.543 -7.199 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CA . . . . . . . . . c19468_2md1 1 . 5 . 1415 . 1 1 13 LYS CB C -14.172 9.411 -8.438 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CB . . . . . . . . . c19468_2md1 1 . 5 . 1416 . 1 1 13 LYS CD C -12.147 8.827 -9.804 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CD . . . . . . . . . c19468_2md1 1 . 5 . 1417 . 1 1 13 LYS CE C -12.035 9.584 -11.119 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CE . . . . . . . . . c19468_2md1 1 . 5 . 1418 . 1 1 13 LYS CG C -12.706 9.709 -8.700 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CG . . . . . . . . . c19468_2md1 1 . 5 . 1419 . 1 1 13 LYS H H -13.035 7.027 -7.743 . . . 1.0 . . . . . . . . . . . . A . 13 LYS H . . . . . . . . . c19468_2md1 1 . 5 . 1420 . 1 1 13 LYS HA H -14.466 9.180 -6.330 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HA . . . . . . . . . c19468_2md1 1 . 5 . 1421 . 1 1 13 LYS HB2 H -14.575 8.902 -9.301 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB2 . . . . . . . . . c19468_2md1 1 . 5 . 1422 . 1 1 13 LYS HB3 H -14.691 10.349 -8.309 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB3 . . . . . . . . . c19468_2md1 1 . 5 . 1423 . 1 1 13 LYS HD2 H -11.165 8.482 -9.516 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD2 . . . . . . . . . c19468_2md1 1 . 5 . 1424 . 1 1 13 LYS HD3 H -12.802 7.979 -9.942 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD3 . . . . . . . . . c19468_2md1 1 . 5 . 1425 . 1 1 13 LYS HE2 H -11.545 10.528 -10.935 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE2 . . . . . . . . . c19468_2md1 1 . 5 . 1426 . 1 1 13 LYS HE3 H -11.442 8.999 -11.806 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE3 . . . . . . . . . c19468_2md1 1 . 5 . 1427 . 1 1 13 LYS HG2 H -12.605 10.743 -8.994 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG2 . . . . . . . . . c19468_2md1 1 . 5 . 1428 . 1 1 13 LYS HG3 H -12.145 9.534 -7.793 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG3 . . . . . . . . . c19468_2md1 1 . 5 . 1429 . 1 1 13 LYS HZ1 H -13.276 9.967 -12.755 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ1 . . . . . . . . . c19468_2md1 1 . 5 . 1430 . 1 1 13 LYS HZ2 H -13.788 10.701 -11.319 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ2 . . . . . . . . . c19468_2md1 1 . 5 . 1431 . 1 1 13 LYS HZ3 H -14.006 9.039 -11.543 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ3 . . . . . . . . . c19468_2md1 1 . 5 . 1432 . 1 1 13 LYS N N -13.296 7.621 -7.007 . . . 1.0 . . . . . . . . . . . . A . 13 LYS N . . . . . . . . . c19468_2md1 1 . 5 . 1433 . 1 1 13 LYS NZ N -13.370 9.840 -11.727 . . . 1.0 . . . . . . . . . . . . A . 13 LYS NZ . . . . . . . . . c19468_2md1 1 . 5 . 1434 . 1 1 13 LYS O O -16.801 8.349 -7.141 . . . 1.0 . . . . . . . . . . . . A . 13 LYS O . . . . . . . . . c19468_2md1 1 . 5 . 1435 . 1 1 14 ASN C C -16.842 4.551 -6.813 . . . 1.0 . . . . . . . . . . . . A . 14 ASN C . . . . . . . . . c19468_2md1 1 . 5 . 1436 . 1 1 14 ASN CA C -16.815 5.670 -7.850 . . . 1.0 . . . . . . . . . . . . A . 14 ASN CA . . . . . . . . . c19468_2md1 1 . 5 . 1437 . 1 1 14 ASN CB C -16.852 5.075 -9.259 . . . 1.0 . . . . . . . . . . . . A . 14 ASN CB . . . . . . . . . c19468_2md1 1 . 5 . 1438 . 1 1 14 ASN CG C -15.594 4.294 -9.590 . . . 1.0 . . . . . . . . . . . . A . 14 ASN CG . . . . . . . . . c19468_2md1 1 . 5 . 1439 . 1 1 14 ASN H H -14.745 6.112 -7.829 . . . 1.0 . . . . . . . . . . . . A . 14 ASN H . . . . . . . . . c19468_2md1 1 . 5 . 1440 . 1 1 14 ASN HA H -17.684 6.295 -7.710 . . . 1.0 . . . . . . . . . . . . A . 14 ASN HA . . . . . . . . . c19468_2md1 1 . 5 . 1441 . 1 1 14 ASN HB2 H -17.698 4.408 -9.341 . . . 1.0 . . . . . . . . . . . . A . 14 ASN HB2 . . . . . . . . . c19468_2md1 1 . 5 . 1442 . 1 1 14 ASN HB3 H -16.957 5.874 -9.978 . . . 1.0 . . . . . . . . . . . . A . 14 ASN HB3 . . . . . . . . . c19468_2md1 1 . 5 . 1443 . 1 1 14 ASN HD21 H -16.425 2.621 -8.908 . . . 1.0 . . . . . . . . . . . . A . 14 ASN HD21 . . . . . . . . . c19468_2md1 1 . 5 . 1444 . 1 1 14 ASN HD22 H -14.813 2.468 -9.511 . . . 1.0 . . . . . . . . . . . . A . 14 ASN HD22 . . . . . . . . . c19468_2md1 1 . 5 . 1445 . 1 1 14 ASN N N -15.632 6.505 -7.683 . . . 1.0 . . . . . . . . . . . . A . 14 ASN N . . . . . . . . . c19468_2md1 1 . 5 . 1446 . 1 1 14 ASN ND2 N -15.612 2.997 -9.308 . . . 1.0 . . . . . . . . . . . . A . 14 ASN ND2 . . . . . . . . . c19468_2md1 1 . 5 . 1447 . 1 1 14 ASN O O -17.222 3.419 -7.114 . . . 1.0 . . . . . . . . . . . . A . 14 ASN O . . . . . . . . . c19468_2md1 1 . 5 . 1448 . 1 1 14 ASN OD1 O -14.618 4.852 -10.093 . . . 1.0 . . . . . . . . . . . . A . 14 ASN OD1 . . . . . . . . . c19468_2md1 1 . 5 . 1449 . 1 1 15 LYS C C -17.335 4.330 -3.368 . . . 1.0 . . . . . . . . . . . . A . 15 LYS C . . . . . . . . . c19468_2md1 1 . 5 . 1450 . 1 1 15 LYS CA C -16.415 3.900 -4.507 . . . 1.0 . . . . . . . . . . . . A . 15 LYS CA . . . . . . . . . c19468_2md1 1 . 5 . 1451 . 1 1 15 LYS CB C -14.988 3.719 -3.983 . . . 1.0 . . . . . . . . . . . . A . 15 LYS CB . . . . . . . . . c19468_2md1 1 . 5 . 1452 . 1 1 15 LYS CD C -14.155 5.024 -2.005 . . . 1.0 . . . . . . . . . . . . A . 15 LYS CD . . . . . . . . . c19468_2md1 1 . 5 . 1453 . 1 1 15 LYS CE C -12.767 4.542 -1.615 . . . 1.0 . . . . . . . . . . . . A . 15 LYS CE . . . . . . . . . c19468_2md1 1 . 5 . 1454 . 1 1 15 LYS CG C -14.345 5.012 -3.513 . . . 1.0 . . . . . . . . . . . . A . 15 LYS CG . . . . . . . . . c19468_2md1 1 . 5 . 1455 . 1 1 15 LYS H H -16.145 5.794 -5.412 . . . 1.0 . . . . . . . . . . . . A . 15 LYS H . . . . . . . . . c19468_2md1 1 . 5 . 1456 . 1 1 15 LYS HA H -16.767 2.958 -4.901 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HA . . . . . . . . . c19468_2md1 1 . 5 . 1457 . 1 1 15 LYS HB2 H -15.007 3.028 -3.154 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HB2 . . . . . . . . . c19468_2md1 1 . 5 . 1458 . 1 1 15 LYS HB3 H -14.378 3.305 -4.773 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HB3 . . . . . . . . . c19468_2md1 1 . 5 . 1459 . 1 1 15 LYS HD2 H -14.289 6.033 -1.642 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HD2 . . . . . . . . . c19468_2md1 1 . 5 . 1460 . 1 1 15 LYS HD3 H -14.893 4.376 -1.553 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HD3 . . . . . . . . . c19468_2md1 1 . 5 . 1461 . 1 1 15 LYS HE2 H -12.621 3.549 -2.011 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HE2 . . . . . . . . . c19468_2md1 1 . 5 . 1462 . 1 1 15 LYS HE3 H -12.034 5.211 -2.041 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HE3 . . . . . . . . . c19468_2md1 1 . 5 . 1463 . 1 1 15 LYS HG2 H -13.381 5.117 -3.987 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HG2 . . . . . . . . . c19468_2md1 1 . 5 . 1464 . 1 1 15 LYS HG3 H -14.979 5.842 -3.794 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HG3 . . . . . . . . . c19468_2md1 1 . 5 . 1465 . 1 1 15 LYS HZ1 H -12.602 5.471 0.249 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HZ1 . . . . . . . . . c19468_2md1 1 . 5 . 1466 . 1 1 15 LYS HZ2 H -11.679 4.061 0.102 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HZ2 . . . . . . . . . c19468_2md1 1 . 5 . 1467 . 1 1 15 LYS HZ3 H -13.355 3.957 0.303 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HZ3 . . . . . . . . . c19468_2md1 1 . 5 . 1468 . 1 1 15 LYS N N -16.437 4.875 -5.590 . . . 1.0 . . . . . . . . . . . . A . 15 LYS N . . . . . . . . . c19468_2md1 1 . 5 . 1469 . 1 1 15 LYS NZ N -12.588 4.505 -0.137 . . . 1.0 . . . . . . . . . . . . A . 15 LYS NZ . . . . . . . . . c19468_2md1 1 . 5 . 1470 . 1 1 15 LYS O O -17.077 4.030 -2.203 . . . 1.0 . . . . . . . . . . . . A . 15 LYS O . . . . . . . . . c19468_2md1 1 . 5 . 1471 . 1 1 16 SER C C -20.754 4.938 -2.990 . . . 1.0 . . . . . . . . . . . . A . 16 SER C . . . . . . . . . c19468_2md1 1 . 5 . 1472 . 1 1 16 SER CA C -19.365 5.508 -2.721 . . . 1.0 . . . . . . . . . . . . A . 16 SER CA . . . . . . . . . c19468_2md1 1 . 5 . 1473 . 1 1 16 SER CB C -19.419 7.037 -2.723 . . . 1.0 . . . . . . . . . . . . A . 16 SER CB . . . . . . . . . c19468_2md1 1 . 5 . 1474 . 1 1 16 SER H H -18.558 5.241 -4.661 . . . 1.0 . . . . . . . . . . . . A . 16 SER H . . . . . . . . . c19468_2md1 1 . 5 . 1475 . 1 1 16 SER HA H -19.031 5.169 -1.752 . . . 1.0 . . . . . . . . . . . . A . 16 SER HA . . . . . . . . . c19468_2md1 1 . 5 . 1476 . 1 1 16 SER HB2 H -20.097 7.371 -1.953 . . . 1.0 . . . . . . . . . . . . A . 16 SER HB2 . . . . . . . . . c19468_2md1 1 . 5 . 1477 . 1 1 16 SER HB3 H -18.431 7.429 -2.529 . . . 1.0 . . . . . . . . . . . . A . 16 SER HB3 . . . . . . . . . c19468_2md1 1 . 5 . 1478 . 1 1 16 SER HG H -20.785 7.807 -3.897 . . . 1.0 . . . . . . . . . . . . A . 16 SER HG . . . . . . . . . c19468_2md1 1 . 5 . 1479 . 1 1 16 SER N N -18.408 5.034 -3.715 . . . 1.0 . . . . . . . . . . . . A . 16 SER N . . . . . . . . . c19468_2md1 1 . 5 . 1480 . 1 1 16 SER O O -21.766 5.557 -2.660 . . . 1.0 . . . . . . . . . . . . A . 16 SER O . . . . . . . . . c19468_2md1 1 . 5 . 1481 . 1 1 16 SER OG O -19.869 7.529 -3.973 . . . 1.0 . . . . . . . . . . . . A . 16 SER OG . . . . . . . . . c19468_2md1 1 . 5 . 1482 . 1 1 17 ARG C C -22.584 2.322 -2.703 . . . 1.0 . . . . . . . . . . . . A . 17 ARG C . . . . . . . . . c19468_2md1 1 . 5 . 1483 . 1 1 17 ARG CA C -22.059 3.100 -3.907 . . . 1.0 . . . . . . . . . . . . A . 17 ARG CA . . . . . . . . . c19468_2md1 1 . 5 . 1484 . 1 1 17 ARG CB C -21.887 2.158 -5.100 . . . 1.0 . . . . . . . . . . . . A . 17 ARG CB . . . . . . . . . c19468_2md1 1 . 5 . 1485 . 1 1 17 ARG CD C -20.603 0.201 -6.015 . . . 1.0 . . . . . . . . . . . . A . 17 ARG CD . . . . . . . . . c19468_2md1 1 . 5 . 1486 . 1 1 17 ARG CG C -21.140 0.878 -4.764 . . . 1.0 . . . . . . . . . . . . A . 17 ARG CG . . . . . . . . . c19468_2md1 1 . 5 . 1487 . 1 1 17 ARG CZ C -21.089 -2.172 -5.590 . . . 1.0 . . . . . . . . . . . . A . 17 ARG CZ . . . . . . . . . c19468_2md1 1 . 5 . 1488 . 1 1 17 ARG H H -19.954 3.309 -3.831 . . . 1.0 . . . . . . . . . . . . A . 17 ARG H . . . . . . . . . c19468_2md1 1 . 5 . 1489 . 1 1 17 ARG HA H -22.774 3.866 -4.165 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HA . . . . . . . . . c19468_2md1 1 . 5 . 1490 . 1 1 17 ARG HB2 H -22.864 1.890 -5.476 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HB2 . . . . . . . . . c19468_2md1 1 . 5 . 1491 . 1 1 17 ARG HB3 H -21.342 2.675 -5.875 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HB3 . . . . . . . . . c19468_2md1 1 . 5 . 1492 . 1 1 17 ARG HD2 H -20.742 0.865 -6.855 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HD2 . . . . . . . . . c19468_2md1 1 . 5 . 1493 . 1 1 17 ARG HD3 H -19.550 0.006 -5.879 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HD3 . . . . . . . . . c19468_2md1 1 . 5 . 1494 . 1 1 17 ARG HE H -21.925 -1.078 -7.034 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HE . . . . . . . . . c19468_2md1 1 . 5 . 1495 . 1 1 17 ARG HG2 H -20.310 1.117 -4.114 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HG2 . . . . . . . . . c19468_2md1 1 . 5 . 1496 . 1 1 17 ARG HG3 H -21.812 0.202 -4.258 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HG3 . . . . . . . . . c19468_2md1 1 . 5 . 1497 . 1 1 17 ARG HH11 H -19.735 -1.344 -4.341 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HH11 . . . . . . . . . c19468_2md1 1 . 5 . 1498 . 1 1 17 ARG HH12 H -20.087 -3.016 -4.052 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HH12 . . . . . . . . . c19468_2md1 1 . 5 . 1499 . 1 1 17 ARG HH21 H -22.396 -3.279 -6.664 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HH21 . . . . . . . . . c19468_2md1 1 . 5 . 1500 . 1 1 17 ARG HH22 H -21.600 -4.116 -5.375 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HH22 . . . . . . . . . c19468_2md1 1 . 5 . 1501 . 1 1 17 ARG N N -20.795 3.754 -3.592 . . . 1.0 . . . . . . . . . . . . A . 17 ARG N . . . . . . . . . c19468_2md1 1 . 5 . 1502 . 1 1 17 ARG NE N -21.287 -1.060 -6.290 . . . 1.0 . . . . . . . . . . . . A . 17 ARG NE . . . . . . . . . c19468_2md1 1 . 5 . 1503 . 1 1 17 ARG NH1 N -20.233 -2.178 -4.578 . . . 1.0 . . . . . . . . . . . . A . 17 ARG NH1 . . . . . . . . . c19468_2md1 1 . 5 . 1504 . 1 1 17 ARG NH2 N -21.749 -3.280 -5.902 . . . 1.0 . . . . . . . . . . . . A . 17 ARG NH2 . . . . . . . . . c19468_2md1 1 . 5 . 1505 . 1 1 17 ARG O O -22.165 2.558 -1.570 . . . 1.0 . . . . . . . . . . . . A . 17 ARG O . . . . . . . . . c19468_2md1 1 . 6 . 1506 . 1 1 1 TRP C C 3.519 2.569 -1.820 . . . 1.0 . . . . . . . . . . . . A . 1 TRP C . . . . . . . . . c19468_2md1 1 . 6 . 1507 . 1 1 1 TRP CA C 3.998 1.355 -1.032 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CA . . . . . . . . . c19468_2md1 1 . 6 . 1508 . 1 1 1 TRP CB C 3.699 0.074 -1.812 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CB . . . . . . . . . c19468_2md1 1 . 6 . 1509 . 1 1 1 TRP CD1 C 6.060 -0.113 -2.789 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD1 . . . . . . . . . c19468_2md1 1 . 6 . 1510 . 1 1 1 TRP CD2 C 4.426 -0.652 -4.222 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD2 . . . . . . . . . c19468_2md1 1 . 6 . 1511 . 1 1 1 TRP CE2 C 5.664 -0.796 -4.878 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE2 . . . . . . . . . c19468_2md1 1 . 6 . 1512 . 1 1 1 TRP CE3 C 3.254 -0.938 -4.927 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE3 . . . . . . . . . c19468_2md1 1 . 6 . 1513 . 1 1 1 TRP CG C 4.702 -0.215 -2.887 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CG . . . . . . . . . c19468_2md1 1 . 6 . 1514 . 1 1 1 TRP CH2 C 4.597 -1.484 -6.870 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CH2 . . . . . . . . . c19468_2md1 1 . 6 . 1515 . 1 1 1 TRP CZ2 C 5.760 -1.211 -6.204 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ2 . . . . . . . . . c19468_2md1 1 . 6 . 1516 . 1 1 1 TRP CZ3 C 3.351 -1.350 -6.243 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ3 . . . . . . . . . c19468_2md1 1 . 6 . 1517 . 1 1 1 TRP H1 H 3.588 1.995 0.944 . . . 1.0 . . . . . . . . . . . . A . 1 TRP H1 . . . . . . . . . c19468_2md1 1 . 6 . 1518 . 1 1 1 TRP HA H 5.065 1.434 -0.885 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HA . . . . . . . . . c19468_2md1 1 . 6 . 1519 . 1 1 1 TRP HB2 H 3.691 -0.763 -1.130 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB2 . . . . . . . . . c19468_2md1 1 . 6 . 1520 . 1 1 1 TRP HB3 H 2.727 0.163 -2.277 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB3 . . . . . . . . . c19468_2md1 1 . 6 . 1521 . 1 1 1 TRP HD1 H 6.584 0.198 -1.898 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HD1 . . . . . . . . . c19468_2md1 1 . 6 . 1522 . 1 1 1 TRP HE1 H 7.609 -0.468 -4.163 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE1 . . . . . . . . . c19468_2md1 1 . 6 . 1523 . 1 1 1 TRP HE3 H 2.284 -0.841 -4.461 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE3 . . . . . . . . . c19468_2md1 1 . 6 . 1524 . 1 1 1 TRP HH2 H 4.625 -1.808 -7.898 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HH2 . . . . . . . . . c19468_2md1 1 . 6 . 1525 . 1 1 1 TRP HZ2 H 6.713 -1.320 -6.701 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ2 . . . . . . . . . c19468_2md1 1 . 6 . 1526 . 1 1 1 TRP HZ3 H 2.455 -1.575 -6.803 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ3 . . . . . . . . . c19468_2md1 1 . 6 . 1527 . 1 1 1 TRP N N 3.368 1.305 0.283 . . . 1.0 . . . . . . . . . . . . A . 1 TRP N . . . . . . . . . c19468_2md1 1 . 6 . 1528 . 1 1 1 TRP NE1 N 6.645 -0.460 -3.983 . . . 1.0 . . . . . . . . . . . . A . 1 TRP NE1 . . . . . . . . . c19468_2md1 1 . 6 . 1529 . 1 1 1 TRP O O 2.374 2.616 -2.271 . . . 1.0 . . . . . . . . . . . . A . 1 TRP O . . . . . . . . . c19468_2md1 1 . 6 . 1530 . 1 1 2 LYS C C 3.477 4.428 -4.084 . . . 1.0 . . . . . . . . . . . . A . 2 LYS C . . . . . . . . . c19468_2md1 1 . 6 . 1531 . 1 1 2 LYS CA C 4.068 4.763 -2.719 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CA . . . . . . . . . c19468_2md1 1 . 6 . 1532 . 1 1 2 LYS CB C 5.313 5.637 -2.890 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CB . . . . . . . . . c19468_2md1 1 . 6 . 1533 . 1 1 2 LYS CD C 6.489 5.330 -5.089 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CD . . . . . . . . . c19468_2md1 1 . 6 . 1534 . 1 1 2 LYS CE C 7.028 6.740 -5.277 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CE . . . . . . . . . c19468_2md1 1 . 6 . 1535 . 1 1 2 LYS CG C 6.449 4.941 -3.620 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CG . . . . . . . . . c19468_2md1 1 . 6 . 1536 . 1 1 2 LYS H H 5.298 3.453 -1.600 . . . 1.0 . . . . . . . . . . . . A . 2 LYS H . . . . . . . . . c19468_2md1 1 . 6 . 1537 . 1 1 2 LYS HA H 3.333 5.308 -2.146 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HA . . . . . . . . . c19468_2md1 1 . 6 . 1538 . 1 1 2 LYS HB2 H 5.043 6.522 -3.448 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB2 . . . . . . . . . c19468_2md1 1 . 6 . 1539 . 1 1 2 LYS HB3 H 5.668 5.932 -1.914 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB3 . . . . . . . . . c19468_2md1 1 . 6 . 1540 . 1 1 2 LYS HD2 H 7.128 4.639 -5.618 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD2 . . . . . . . . . c19468_2md1 1 . 6 . 1541 . 1 1 2 LYS HD3 H 5.488 5.280 -5.493 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD3 . . . . . . . . . c19468_2md1 1 . 6 . 1542 . 1 1 2 LYS HE2 H 6.970 6.997 -6.323 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE2 . . . . . . . . . c19468_2md1 1 . 6 . 1543 . 1 1 2 LYS HE3 H 6.418 7.424 -4.704 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE3 . . . . . . . . . c19468_2md1 1 . 6 . 1544 . 1 1 2 LYS HG2 H 7.385 5.219 -3.160 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG2 . . . . . . . . . c19468_2md1 1 . 6 . 1545 . 1 1 2 LYS HG3 H 6.311 3.872 -3.544 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG3 . . . . . . . . . c19468_2md1 1 . 6 . 1546 . 1 1 2 LYS HZ1 H 8.880 7.706 -5.240 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ1 . . . . . . . . . c19468_2md1 1 . 6 . 1547 . 1 1 2 LYS HZ2 H 8.983 6.021 -5.124 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ2 . . . . . . . . . c19468_2md1 1 . 6 . 1548 . 1 1 2 LYS HZ3 H 8.482 6.932 -3.790 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ3 . . . . . . . . . c19468_2md1 1 . 6 . 1549 . 1 1 2 LYS N N 4.401 3.549 -1.983 . . . 1.0 . . . . . . . . . . . . A . 2 LYS N . . . . . . . . . c19468_2md1 1 . 6 . 1550 . 1 1 2 LYS NZ N 8.442 6.858 -4.826 . . . 1.0 . . . . . . . . . . . . A . 2 LYS NZ . . . . . . . . . c19468_2md1 1 . 6 . 1551 . 1 1 2 LYS O O 2.734 5.222 -4.663 . . . 1.0 . . . . . . . . . . . . A . 2 LYS O . . . . . . . . . c19468_2md1 1 . 6 . 1552 . 1 1 3 LEU C C 1.850 2.378 -5.796 . . . 1.0 . . . . . . . . . . . . A . 3 LEU C . . . . . . . . . c19468_2md1 1 . 6 . 1553 . 1 1 3 LEU CA C 3.311 2.806 -5.892 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CA . . . . . . . . . c19468_2md1 1 . 6 . 1554 . 1 1 3 LEU CB C 4.160 1.648 -6.420 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CB . . . . . . . . . c19468_2md1 1 . 6 . 1555 . 1 1 3 LEU CD1 C 4.029 2.514 -8.769 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CD1 . . . . . . . . . c19468_2md1 1 . 6 . 1556 . 1 1 3 LEU CD2 C 6.115 2.849 -7.430 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CD2 . . . . . . . . . c19468_2md1 1 . 6 . 1557 . 1 1 3 LEU CG C 4.941 1.921 -7.706 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CG . . . . . . . . . c19468_2md1 1 . 6 . 1558 . 1 1 3 LEU H H 4.406 2.658 -4.087 . . . 1.0 . . . . . . . . . . . . A . 3 LEU H . . . . . . . . . c19468_2md1 1 . 6 . 1559 . 1 1 3 LEU HA H 3.386 3.638 -6.576 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HA . . . . . . . . . c19468_2md1 1 . 6 . 1560 . 1 1 3 LEU HB2 H 4.870 1.382 -5.652 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HB2 . . . . . . . . . c19468_2md1 1 . 6 . 1561 . 1 1 3 LEU HB3 H 3.500 0.812 -6.603 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HB3 . . . . . . . . . c19468_2md1 1 . 6 . 1562 . 1 1 3 LEU HD11 H 3.921 1.812 -9.582 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD11 . . . . . . . . . c19468_2md1 1 . 6 . 1563 . 1 1 3 LEU HD12 H 4.459 3.432 -9.140 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD12 . . . . . . . . . c19468_2md1 1 . 6 . 1564 . 1 1 3 LEU HD13 H 3.060 2.718 -8.338 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD13 . . . . . . . . . c19468_2md1 1 . 6 . 1565 . 1 1 3 LEU HD21 H 5.746 3.809 -7.102 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD21 . . . . . . . . . c19468_2md1 1 . 6 . 1566 . 1 1 3 LEU HD22 H 6.694 2.975 -8.334 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD22 . . . . . . . . . c19468_2md1 1 . 6 . 1567 . 1 1 3 LEU HD23 H 6.740 2.420 -6.660 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD23 . . . . . . . . . c19468_2md1 1 . 6 . 1568 . 1 1 3 LEU HG H 5.334 0.988 -8.086 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HG . . . . . . . . . c19468_2md1 1 . 6 . 1569 . 1 1 3 LEU N N 3.810 3.247 -4.594 . . . 1.0 . . . . . . . . . . . . A . 3 LEU N . . . . . . . . . c19468_2md1 1 . 6 . 1570 . 1 1 3 LEU O O 1.050 2.658 -6.690 . . . 1.0 . . . . . . . . . . . . A . 3 LEU O . . . . . . . . . c19468_2md1 1 . 6 . 1571 . 1 1 4 LEU C C -0.718 2.336 -3.879 . . . 1.0 . . . . . . . . . . . . A . 4 LEU C . . . . . . . . . c19468_2md1 1 . 6 . 1572 . 1 1 4 LEU CA C 0.142 1.235 -4.492 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CA . . . . . . . . . c19468_2md1 1 . 6 . 1573 . 1 1 4 LEU CB C 0.138 0.004 -3.584 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CB . . . . . . . . . c19468_2md1 1 . 6 . 1574 . 1 1 4 LEU CD1 C 0.017 -1.215 -5.771 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD1 . . . . . . . . . c19468_2md1 1 . 6 . 1575 . 1 1 4 LEU CD2 C 0.723 -2.430 -3.702 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD2 . . . . . . . . . c19468_2md1 1 . 6 . 1576 . 1 1 4 LEU CG C -0.165 -1.331 -4.266 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CG . . . . . . . . . c19468_2md1 1 . 6 . 1577 . 1 1 4 LEU H H 2.189 1.508 -4.029 . . . 1.0 . . . . . . . . . . . . A . 4 LEU H . . . . . . . . . c19468_2md1 1 . 6 . 1578 . 1 1 4 LEU HA H -0.271 0.966 -5.453 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HA . . . . . . . . . c19468_2md1 1 . 6 . 1579 . 1 1 4 LEU HB2 H 1.112 -0.072 -3.126 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB2 . . . . . . . . . c19468_2md1 1 . 6 . 1580 . 1 1 4 LEU HB3 H -0.608 0.162 -2.818 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB3 . . . . . . . . . c19468_2md1 1 . 6 . 1581 . 1 1 4 LEU HD11 H 0.914 -0.654 -5.983 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD11 . . . . . . . . . c19468_2md1 1 . 6 . 1582 . 1 1 4 LEU HD12 H -0.835 -0.707 -6.198 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD12 . . . . . . . . . c19468_2md1 1 . 6 . 1583 . 1 1 4 LEU HD13 H 0.099 -2.203 -6.201 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD13 . . . . . . . . . c19468_2md1 1 . 6 . 1584 . 1 1 4 LEU HD21 H 0.117 -3.286 -3.443 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD21 . . . . . . . . . c19468_2md1 1 . 6 . 1585 . 1 1 4 LEU HD22 H 1.230 -2.067 -2.820 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD22 . . . . . . . . . c19468_2md1 1 . 6 . 1586 . 1 1 4 LEU HD23 H 1.455 -2.718 -4.444 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD23 . . . . . . . . . c19468_2md1 1 . 6 . 1587 . 1 1 4 LEU HG H -1.195 -1.600 -4.074 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HG . . . . . . . . . c19468_2md1 1 . 6 . 1588 . 1 1 4 LEU N N 1.508 1.700 -4.706 . . . 1.0 . . . . . . . . . . . . A . 4 LEU N . . . . . . . . . c19468_2md1 1 . 6 . 1589 . 1 1 4 LEU O O -1.930 2.382 -4.092 . . . 1.0 . . . . . . . . . . . . A . 4 LEU O . . . . . . . . . c19468_2md1 1 . 6 . 1590 . 1 1 5 SER C C -1.123 5.418 -3.480 . . . 1.0 . . . . . . . . . . . . A . 5 SER C . . . . . . . . . c19468_2md1 1 . 6 . 1591 . 1 1 5 SER CA C -0.790 4.322 -2.473 . . . 1.0 . . . . . . . . . . . . A . 5 SER CA . . . . . . . . . c19468_2md1 1 . 6 . 1592 . 1 1 5 SER CB C 0.052 4.899 -1.334 . . . 1.0 . . . . . . . . . . . . A . 5 SER CB . . . . . . . . . c19468_2md1 1 . 6 . 1593 . 1 1 5 SER H H 0.884 3.131 -2.986 . . . 1.0 . . . . . . . . . . . . A . 5 SER H . . . . . . . . . c19468_2md1 1 . 6 . 1594 . 1 1 5 SER HA H -1.711 3.931 -2.066 . . . 1.0 . . . . . . . . . . . . A . 5 SER HA . . . . . . . . . c19468_2md1 1 . 6 . 1595 . 1 1 5 SER HB2 H 1.077 4.992 -1.659 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB2 . . . . . . . . . c19468_2md1 1 . 6 . 1596 . 1 1 5 SER HB3 H -0.330 5.873 -1.065 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB3 . . . . . . . . . c19468_2md1 1 . 6 . 1597 . 1 1 5 SER HG H 0.469 3.239 -0.381 . . . 1.0 . . . . . . . . . . . . A . 5 SER HG . . . . . . . . . c19468_2md1 1 . 6 . 1598 . 1 1 5 SER N N -0.083 3.222 -3.118 . . . 1.0 . . . . . . . . . . . . A . 5 SER N . . . . . . . . . c19468_2md1 1 . 6 . 1599 . 1 1 5 SER O O -1.999 6.251 -3.242 . . . 1.0 . . . . . . . . . . . . A . 5 SER O . . . . . . . . . c19468_2md1 1 . 6 . 1600 . 1 1 5 SER OG O 0.009 4.060 -0.192 . . . 1.0 . . . . . . . . . . . . A . 5 SER OG . . . . . . . . . c19468_2md1 1 . 6 . 1601 . 1 1 6 LYS C C -1.491 5.828 -6.779 . . . 1.0 . . . . . . . . . . . . A . 6 LYS C . . . . . . . . . c19468_2md1 1 . 6 . 1602 . 1 1 6 LYS CA C -0.639 6.404 -5.652 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CA . . . . . . . . . c19468_2md1 1 . 6 . 1603 . 1 1 6 LYS CB C 0.700 6.893 -6.210 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CB . . . . . . . . . c19468_2md1 1 . 6 . 1604 . 1 1 6 LYS CD C 0.976 6.072 -8.568 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CD . . . . . . . . . c19468_2md1 1 . 6 . 1605 . 1 1 6 LYS CE C 2.176 5.998 -9.500 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CE . . . . . . . . . c19468_2md1 1 . 6 . 1606 . 1 1 6 LYS CG C 1.385 5.885 -7.117 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CG . . . . . . . . . c19468_2md1 1 . 6 . 1607 . 1 1 6 LYS H H 0.265 4.722 -4.738 . . . 1.0 . . . . . . . . . . . . A . 6 LYS H . . . . . . . . . c19468_2md1 1 . 6 . 1608 . 1 1 6 LYS HA H -1.162 7.239 -5.213 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HA . . . . . . . . . c19468_2md1 1 . 6 . 1609 . 1 1 6 LYS HB2 H 0.532 7.798 -6.775 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB2 . . . . . . . . . c19468_2md1 1 . 6 . 1610 . 1 1 6 LYS HB3 H 1.362 7.111 -5.385 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB3 . . . . . . . . . c19468_2md1 1 . 6 . 1611 . 1 1 6 LYS HD2 H 0.276 5.295 -8.839 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD2 . . . . . . . . . c19468_2md1 1 . 6 . 1612 . 1 1 6 LYS HD3 H 0.504 7.038 -8.678 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD3 . . . . . . . . . c19468_2md1 1 . 6 . 1613 . 1 1 6 LYS HE2 H 2.523 7.000 -9.698 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE2 . . . . . . . . . c19468_2md1 1 . 6 . 1614 . 1 1 6 LYS HE3 H 2.959 5.436 -9.013 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE3 . . . . . . . . . c19468_2md1 1 . 6 . 1615 . 1 1 6 LYS HG2 H 2.454 6.011 -7.037 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG2 . . . . . . . . . c19468_2md1 1 . 6 . 1616 . 1 1 6 LYS HG3 H 1.113 4.887 -6.801 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG3 . . . . . . . . . c19468_2md1 1 . 6 . 1617 . 1 1 6 LYS HZ1 H 2.687 5.247 -11.381 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ1 . . . . . . . . . c19468_2md1 1 . 6 . 1618 . 1 1 6 LYS HZ2 H 1.130 5.903 -11.305 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ2 . . . . . . . . . c19468_2md1 1 . 6 . 1619 . 1 1 6 LYS HZ3 H 1.444 4.391 -10.616 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ3 . . . . . . . . . c19468_2md1 1 . 6 . 1620 . 1 1 6 LYS N N -0.419 5.412 -4.607 . . . 1.0 . . . . . . . . . . . . A . 6 LYS N . . . . . . . . . c19468_2md1 1 . 6 . 1621 . 1 1 6 LYS NZ N 1.836 5.338 -10.791 . . . 1.0 . . . . . . . . . . . . A . 6 LYS NZ . . . . . . . . . c19468_2md1 1 . 6 . 1622 . 1 1 6 LYS O O -2.113 6.568 -7.540 . . . 1.0 . . . . . . . . . . . . A . 6 LYS O . . . . . . . . . c19468_2md1 1 . 6 . 1623 . 1 1 7 ALA C C -3.622 3.325 -7.352 . . . 1.0 . . . . . . . . . . . . A . 7 ALA C . . . . . . . . . c19468_2md1 1 . 6 . 1624 . 1 1 7 ALA CA C -2.294 3.828 -7.908 . . . 1.0 . . . . . . . . . . . . A . 7 ALA CA . . . . . . . . . c19468_2md1 1 . 6 . 1625 . 1 1 7 ALA CB C -1.497 2.675 -8.501 . . . 1.0 . . . . . . . . . . . . A . 7 ALA CB . . . . . . . . . c19468_2md1 1 . 6 . 1626 . 1 1 7 ALA H H -0.998 3.966 -6.241 . . . 1.0 . . . . . . . . . . . . A . 7 ALA H . . . . . . . . . c19468_2md1 1 . 6 . 1627 . 1 1 7 ALA HA H -2.491 4.539 -8.697 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HA . . . . . . . . . c19468_2md1 1 . 6 . 1628 . 1 1 7 ALA HB1 H -1.349 1.915 -7.747 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB1 . . . . . . . . . c19468_2md1 1 . 6 . 1629 . 1 1 7 ALA HB2 H -2.040 2.254 -9.334 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB2 . . . . . . . . . c19468_2md1 1 . 6 . 1630 . 1 1 7 ALA HB3 H -0.539 3.037 -8.841 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB3 . . . . . . . . . c19468_2md1 1 . 6 . 1631 . 1 1 7 ALA N N -1.515 4.503 -6.877 . . . 1.0 . . . . . . . . . . . . A . 7 ALA N . . . . . . . . . c19468_2md1 1 . 6 . 1632 . 1 1 7 ALA O O -4.516 2.943 -8.107 . . . 1.0 . . . . . . . . . . . . A . 7 ALA O . . . . . . . . . c19468_2md1 1 . 6 . 1633 . 1 1 8 GLN C C -5.729 4.042 -4.770 . . . 1.0 . . . . . . . . . . . . A . 8 GLN C . . . . . . . . . c19468_2md1 1 . 6 . 1634 . 1 1 8 GLN CA C -4.962 2.870 -5.373 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CA . . . . . . . . . c19468_2md1 1 . 6 . 1635 . 1 1 8 GLN CB C -4.628 1.849 -4.283 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CB . . . . . . . . . c19468_2md1 1 . 6 . 1636 . 1 1 8 GLN CD C -5.581 -0.207 -3.166 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CD . . . . . . . . . c19468_2md1 1 . 6 . 1637 . 1 1 8 GLN CG C -5.854 1.199 -3.662 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CG . . . . . . . . . c19468_2md1 1 . 6 . 1638 . 1 1 8 GLN H H -2.995 3.643 -5.481 . . . 1.0 . . . . . . . . . . . . A . 8 GLN H . . . . . . . . . c19468_2md1 1 . 6 . 1639 . 1 1 8 GLN HA H -5.582 2.396 -6.119 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HA . . . . . . . . . c19468_2md1 1 . 6 . 1640 . 1 1 8 GLN HB2 H -4.012 1.072 -4.711 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB2 . . . . . . . . . c19468_2md1 1 . 6 . 1641 . 1 1 8 GLN HB3 H -4.074 2.345 -3.500 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB3 . . . . . . . . . c19468_2md1 1 . 6 . 1642 . 1 1 8 GLN HE21 H -7.510 -0.465 -2.760 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE21 . . . . . . . . . c19468_2md1 1 . 6 . 1643 . 1 1 8 GLN HE22 H -6.482 -1.808 -2.408 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE22 . . . . . . . . . c19468_2md1 1 . 6 . 1644 . 1 1 8 GLN HG2 H -6.180 1.801 -2.827 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG2 . . . . . . . . . c19468_2md1 1 . 6 . 1645 . 1 1 8 GLN HG3 H -6.638 1.158 -4.403 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG3 . . . . . . . . . c19468_2md1 1 . 6 . 1646 . 1 1 8 GLN N N -3.743 3.327 -6.029 . . . 1.0 . . . . . . . . . . . . A . 8 GLN N . . . . . . . . . c19468_2md1 1 . 6 . 1647 . 1 1 8 GLN NE2 N -6.630 -0.897 -2.733 . . . 1.0 . . . . . . . . . . . . A . 8 GLN NE2 . . . . . . . . . c19468_2md1 1 . 6 . 1648 . 1 1 8 GLN O O -6.944 3.974 -4.590 . . . 1.0 . . . . . . . . . . . . A . 8 GLN O . . . . . . . . . c19468_2md1 1 . 6 . 1649 . 1 1 8 GLN OE1 O -4.439 -0.669 -3.172 . . . 1.0 . . . . . . . . . . . . A . 8 GLN OE1 . . . . . . . . . c19468_2md1 1 . 6 . 1650 . 1 1 9 GLU C C -6.727 6.846 -4.780 . . . 1.0 . . . . . . . . . . . . A . 9 GLU C . . . . . . . . . c19468_2md1 1 . 6 . 1651 . 1 1 9 GLU CA C -5.623 6.303 -3.876 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CA . . . . . . . . . c19468_2md1 1 . 6 . 1652 . 1 1 9 GLU CB C -4.568 7.385 -3.636 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CB . . . . . . . . . c19468_2md1 1 . 6 . 1653 . 1 1 9 GLU CD C -4.095 9.815 -3.138 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CD . . . . . . . . . c19468_2md1 1 . 6 . 1654 . 1 1 9 GLU CG C -5.152 8.775 -3.451 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CG . . . . . . . . . c19468_2md1 1 . 6 . 1655 . 1 1 9 GLU H H -4.044 5.110 -4.627 . . . 1.0 . . . . . . . . . . . . A . 9 GLU H . . . . . . . . . c19468_2md1 1 . 6 . 1656 . 1 1 9 GLU HA H -6.057 6.020 -2.929 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HA . . . . . . . . . c19468_2md1 1 . 6 . 1657 . 1 1 9 GLU HB2 H -4.006 7.132 -2.749 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HB2 . . . . . . . . . c19468_2md1 1 . 6 . 1658 . 1 1 9 GLU HB3 H -3.897 7.409 -4.482 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HB3 . . . . . . . . . c19468_2md1 1 . 6 . 1659 . 1 1 9 GLU HG2 H -5.659 9.062 -4.360 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HG2 . . . . . . . . . c19468_2md1 1 . 6 . 1660 . 1 1 9 GLU HG3 H -5.862 8.748 -2.638 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HG3 . . . . . . . . . c19468_2md1 1 . 6 . 1661 . 1 1 9 GLU N N -5.010 5.116 -4.460 . . . 1.0 . . . . . . . . . . . . A . 9 GLU N . . . . . . . . . c19468_2md1 1 . 6 . 1662 . 1 1 9 GLU O O -7.687 7.456 -4.310 . . . 1.0 . . . . . . . . . . . . A . 9 GLU O . . . . . . . . . c19468_2md1 1 . 6 . 1663 . 1 1 9 GLU OE1 O -3.488 9.734 -2.049 . . . 1.0 . . . . . . . . . . . . A . 9 GLU OE1 . . . . . . . . . c19468_2md1 1 . 6 . 1664 . 1 1 9 GLU OE2 O -3.874 10.711 -3.980 . . . 1.0 . . . . . . . . . . . . A . 9 GLU OE2 . . . . . . . . . c19468_2md1 1 . 6 . 1665 . 1 1 10 LYS C C -8.681 6.059 -7.230 . . . 1.0 . . . . . . . . . . . . A . 10 LYS C . . . . . . . . . c19468_2md1 1 . 6 . 1666 . 1 1 10 LYS CA C -7.565 7.083 -7.053 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CA . . . . . . . . . c19468_2md1 1 . 6 . 1667 . 1 1 10 LYS CB C -6.891 7.357 -8.400 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CB . . . . . . . . . c19468_2md1 1 . 6 . 1668 . 1 1 10 LYS CD C -6.364 5.936 -10.402 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CD . . . . . . . . . c19468_2md1 1 . 6 . 1669 . 1 1 10 LYS CE C -5.411 6.724 -11.287 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CE . . . . . . . . . c19468_2md1 1 . 6 . 1670 . 1 1 10 LYS CG C -6.088 6.181 -8.928 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CG . . . . . . . . . c19468_2md1 1 . 6 . 1671 . 1 1 10 LYS H H -5.795 6.127 -6.396 . . . 1.0 . . . . . . . . . . . . A . 10 LYS H . . . . . . . . . c19468_2md1 1 . 6 . 1672 . 1 1 10 LYS HA H -7.992 8.002 -6.680 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HA . . . . . . . . . c19468_2md1 1 . 6 . 1673 . 1 1 10 LYS HB2 H -7.652 7.603 -9.126 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB2 . . . . . . . . . c19468_2md1 1 . 6 . 1674 . 1 1 10 LYS HB3 H -6.225 8.201 -8.290 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB3 . . . . . . . . . c19468_2md1 1 . 6 . 1675 . 1 1 10 LYS HD2 H -6.244 4.883 -10.612 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD2 . . . . . . . . . c19468_2md1 1 . 6 . 1676 . 1 1 10 LYS HD3 H -7.379 6.235 -10.625 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD3 . . . . . . . . . c19468_2md1 1 . 6 . 1677 . 1 1 10 LYS HE2 H -5.635 7.775 -11.188 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE2 . . . . . . . . . c19468_2md1 1 . 6 . 1678 . 1 1 10 LYS HE3 H -4.399 6.539 -10.958 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE3 . . . . . . . . . c19468_2md1 1 . 6 . 1679 . 1 1 10 LYS HG2 H -5.036 6.388 -8.800 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG2 . . . . . . . . . c19468_2md1 1 . 6 . 1680 . 1 1 10 LYS HG3 H -6.354 5.296 -8.369 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG3 . . . . . . . . . c19468_2md1 1 . 6 . 1681 . 1 1 10 LYS HZ1 H -4.954 5.493 -12.912 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ1 . . . . . . . . . c19468_2md1 1 . 6 . 1682 . 1 1 10 LYS HZ2 H -5.209 7.113 -13.329 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ2 . . . . . . . . . c19468_2md1 1 . 6 . 1683 . 1 1 10 LYS HZ3 H -6.525 6.120 -12.948 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ3 . . . . . . . . . c19468_2md1 1 . 6 . 1684 . 1 1 10 LYS N N -6.582 6.619 -6.081 . . . 1.0 . . . . . . . . . . . . A . 10 LYS N . . . . . . . . . c19468_2md1 1 . 6 . 1685 . 1 1 10 LYS NZ N -5.533 6.335 -12.719 . . . 1.0 . . . . . . . . . . . . A . 10 LYS NZ . . . . . . . . . c19468_2md1 1 . 6 . 1686 . 1 1 10 LYS O O -9.455 6.128 -8.186 . . . 1.0 . . . . . . . . . . . . A . 10 LYS O . . . . . . . . . c19468_2md1 1 . 6 . 1687 . 1 1 11 PHE C C -10.653 4.101 -5.105 . . . 1.0 . . . . . . . . . . . . A . 11 PHE C . . . . . . . . . c19468_2md1 1 . 6 . 1688 . 1 1 11 PHE CA C -9.781 4.071 -6.357 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CA . . . . . . . . . c19468_2md1 1 . 6 . 1689 . 1 1 11 PHE CB C -9.132 2.694 -6.508 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CB . . . . . . . . . c19468_2md1 1 . 6 . 1690 . 1 1 11 PHE CD1 C -7.395 2.772 -8.317 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CD1 . . . . . . . . . c19468_2md1 1 . 6 . 1691 . 1 1 11 PHE CD2 C -9.496 1.755 -8.806 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CD2 . . . . . . . . . c19468_2md1 1 . 6 . 1692 . 1 1 11 PHE CE1 C -6.962 2.503 -9.602 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CE1 . . . . . . . . . c19468_2md1 1 . 6 . 1693 . 1 1 11 PHE CE2 C -9.068 1.484 -10.092 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CE2 . . . . . . . . . c19468_2md1 1 . 6 . 1694 . 1 1 11 PHE CG C -8.665 2.401 -7.905 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CG . . . . . . . . . c19468_2md1 1 . 6 . 1695 . 1 1 11 PHE CZ C -7.800 1.859 -10.491 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CZ . . . . . . . . . c19468_2md1 1 . 6 . 1696 . 1 1 11 PHE H H -8.114 5.108 -5.566 . . . 1.0 . . . . . . . . . . . . A . 11 PHE H . . . . . . . . . c19468_2md1 1 . 6 . 1697 . 1 1 11 PHE HA H -10.403 4.263 -7.218 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HA . . . . . . . . . c19468_2md1 1 . 6 . 1698 . 1 1 11 PHE HB2 H -8.276 2.634 -5.853 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HB2 . . . . . . . . . c19468_2md1 1 . 6 . 1699 . 1 1 11 PHE HB3 H -9.847 1.935 -6.229 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HB3 . . . . . . . . . c19468_2md1 1 . 6 . 1700 . 1 1 11 PHE HD1 H -6.738 3.276 -7.622 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HD1 . . . . . . . . . c19468_2md1 1 . 6 . 1701 . 1 1 11 PHE HD2 H -10.488 1.462 -8.496 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HD2 . . . . . . . . . c19468_2md1 1 . 6 . 1702 . 1 1 11 PHE HE1 H -5.970 2.798 -9.910 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HE1 . . . . . . . . . c19468_2md1 1 . 6 . 1703 . 1 1 11 PHE HE2 H -9.725 0.980 -10.785 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HE2 . . . . . . . . . c19468_2md1 1 . 6 . 1704 . 1 1 11 PHE HZ H -7.464 1.648 -11.495 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HZ . . . . . . . . . c19468_2md1 1 . 6 . 1705 . 1 1 11 PHE N N -8.759 5.110 -6.303 . . . 1.0 . . . . . . . . . . . . A . 11 PHE N . . . . . . . . . c19468_2md1 1 . 6 . 1706 . 1 1 11 PHE O O -11.177 3.074 -4.676 . . . 1.0 . . . . . . . . . . . . A . 11 PHE O . . . . . . . . . c19468_2md1 1 . 6 . 1707 . 1 1 12 GLY C C -13.001 5.956 -3.624 . . . 1.0 . . . . . . . . . . . . A . 12 GLY C . . . . . . . . . c19468_2md1 1 . 6 . 1708 . 1 1 12 GLY CA C -11.611 5.429 -3.326 . . . 1.0 . . . . . . . . . . . . A . 12 GLY CA . . . . . . . . . c19468_2md1 1 . 6 . 1709 . 1 1 12 GLY H H -10.362 6.072 -4.910 . . . 1.0 . . . . . . . . . . . . A . 12 GLY H . . . . . . . . . c19468_2md1 1 . 6 . 1710 . 1 1 12 GLY HA2 H -11.698 4.465 -2.847 . . . 1.0 . . . . . . . . . . . . A . 12 GLY HA2 . . . . . . . . . c19468_2md1 1 . 6 . 1711 . 1 1 12 GLY HA3 H -11.117 6.112 -2.652 . . . 1.0 . . . . . . . . . . . . A . 12 GLY HA3 . . . . . . . . . c19468_2md1 1 . 6 . 1712 . 1 1 12 GLY N N -10.803 5.287 -4.523 . . . 1.0 . . . . . . . . . . . . A . 12 GLY N . . . . . . . . . c19468_2md1 1 . 6 . 1713 . 1 1 12 GLY O O -13.937 5.728 -2.858 . . . 1.0 . . . . . . . . . . . . A . 12 GLY O . . . . . . . . . c19468_2md1 1 . 6 . 1714 . 1 1 13 LYS C C -14.981 6.498 -6.356 . . . 1.0 . . . . . . . . . . . . A . 13 LYS C . . . . . . . . . c19468_2md1 1 . 6 . 1715 . 1 1 13 LYS CA C -14.422 7.226 -5.138 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CA . . . . . . . . . c19468_2md1 1 . 6 . 1716 . 1 1 13 LYS CB C -14.277 8.718 -5.446 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CB . . . . . . . . . c19468_2md1 1 . 6 . 1717 . 1 1 13 LYS CD C -11.938 9.633 -5.382 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CD . . . . . . . . . c19468_2md1 1 . 6 . 1718 . 1 1 13 LYS CE C -11.598 11.112 -5.491 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CE . . . . . . . . . c19468_2md1 1 . 6 . 1719 . 1 1 13 LYS CG C -13.223 9.413 -4.601 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CG . . . . . . . . . c19468_2md1 1 . 6 . 1720 . 1 1 13 LYS H H -12.353 6.812 -5.310 . . . 1.0 . . . . . . . . . . . . A . 13 LYS H . . . . . . . . . c19468_2md1 1 . 6 . 1721 . 1 1 13 LYS HA H -15.108 7.103 -4.314 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HA . . . . . . . . . c19468_2md1 1 . 6 . 1722 . 1 1 13 LYS HB2 H -14.009 8.835 -6.485 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB2 . . . . . . . . . c19468_2md1 1 . 6 . 1723 . 1 1 13 LYS HB3 H -15.226 9.204 -5.270 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB3 . . . . . . . . . c19468_2md1 1 . 6 . 1724 . 1 1 13 LYS HD2 H -11.129 9.126 -4.878 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD2 . . . . . . . . . c19468_2md1 1 . 6 . 1725 . 1 1 13 LYS HD3 H -12.057 9.226 -6.376 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD3 . . . . . . . . . c19468_2md1 1 . 6 . 1726 . 1 1 13 LYS HE2 H -12.507 11.664 -5.676 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE2 . . . . . . . . . c19468_2md1 1 . 6 . 1727 . 1 1 13 LYS HE3 H -11.164 11.437 -4.557 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE3 . . . . . . . . . c19468_2md1 1 . 6 . 1728 . 1 1 13 LYS HG2 H -13.605 10.371 -4.281 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG2 . . . . . . . . . c19468_2md1 1 . 6 . 1729 . 1 1 13 LYS HG3 H -13.007 8.802 -3.736 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG3 . . . . . . . . . c19468_2md1 1 . 6 . 1730 . 1 1 13 LYS HZ1 H -11.118 11.850 -7.385 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ1 . . . . . . . . . c19468_2md1 1 . 6 . 1731 . 1 1 13 LYS HZ2 H -10.224 10.487 -6.934 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ2 . . . . . . . . . c19468_2md1 1 . 6 . 1732 . 1 1 13 LYS HZ3 H -9.867 11.995 -6.256 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ3 . . . . . . . . . c19468_2md1 1 . 6 . 1733 . 1 1 13 LYS N N -13.137 6.664 -4.740 . . . 1.0 . . . . . . . . . . . . A . 13 LYS N . . . . . . . . . c19468_2md1 1 . 6 . 1734 . 1 1 13 LYS NZ N -10.634 11.380 -6.594 . . . 1.0 . . . . . . . . . . . . A . 13 LYS NZ . . . . . . . . . c19468_2md1 1 . 6 . 1735 . 1 1 13 LYS O O -16.180 6.549 -6.626 . . . 1.0 . . . . . . . . . . . . A . 13 LYS O . . . . . . . . . c19468_2md1 1 . 6 . 1736 . 1 1 14 ASN C C -14.800 3.619 -7.936 . . . 1.0 . . . . . . . . . . . . A . 14 ASN C . . . . . . . . . c19468_2md1 1 . 6 . 1737 . 1 1 14 ASN CA C -14.510 5.078 -8.276 . . . 1.0 . . . . . . . . . . . . A . 14 ASN CA . . . . . . . . . c19468_2md1 1 . 6 . 1738 . 1 1 14 ASN CB C -13.421 5.156 -9.348 . . . 1.0 . . . . . . . . . . . . A . 14 ASN CB . . . . . . . . . c19468_2md1 1 . 6 . 1739 . 1 1 14 ASN CG C -13.982 5.034 -10.752 . . . 1.0 . . . . . . . . . . . . A . 14 ASN CG . . . . . . . . . c19468_2md1 1 . 6 . 1740 . 1 1 14 ASN H H -13.160 5.815 -6.821 . . . 1.0 . . . . . . . . . . . . A . 14 ASN H . . . . . . . . . c19468_2md1 1 . 6 . 1741 . 1 1 14 ASN HA H -15.411 5.533 -8.658 . . . 1.0 . . . . . . . . . . . . A . 14 ASN HA . . . . . . . . . c19468_2md1 1 . 6 . 1742 . 1 1 14 ASN HB2 H -12.912 6.105 -9.266 . . . 1.0 . . . . . . . . . . . . A . 14 ASN HB2 . . . . . . . . . c19468_2md1 1 . 6 . 1743 . 1 1 14 ASN HB3 H -12.712 4.357 -9.192 . . . 1.0 . . . . . . . . . . . . A . 14 ASN HB3 . . . . . . . . . c19468_2md1 1 . 6 . 1744 . 1 1 14 ASN HD21 H -12.212 5.504 -11.527 . . . 1.0 . . . . . . . . . . . . A . 14 ASN HD21 . . . . . . . . . c19468_2md1 1 . 6 . 1745 . 1 1 14 ASN HD22 H -13.473 5.198 -12.667 . . . 1.0 . . . . . . . . . . . . A . 14 ASN HD22 . . . . . . . . . c19468_2md1 1 . 6 . 1746 . 1 1 14 ASN N N -14.103 5.818 -7.087 . . . 1.0 . . . . . . . . . . . . A . 14 ASN N . . . . . . . . . c19468_2md1 1 . 6 . 1747 . 1 1 14 ASN ND2 N -13.137 5.269 -11.749 . . . 1.0 . . . . . . . . . . . . A . 14 ASN ND2 . . . . . . . . . c19468_2md1 1 . 6 . 1748 . 1 1 14 ASN O O -14.198 2.706 -8.502 . . . 1.0 . . . . . . . . . . . . A . 14 ASN O . . . . . . . . . c19468_2md1 1 . 6 . 1749 . 1 1 14 ASN OD1 O -15.161 4.732 -10.937 . . . 1.0 . . . . . . . . . . . . A . 14 ASN OD1 . . . . . . . . . c19468_2md1 1 . 6 . 1750 . 1 1 15 LYS C C -17.507 1.713 -7.069 . . . 1.0 . . . . . . . . . . . . A . 15 LYS C . . . . . . . . . c19468_2md1 1 . 6 . 1751 . 1 1 15 LYS CA C -16.100 2.060 -6.593 . . . 1.0 . . . . . . . . . . . . A . 15 LYS CA . . . . . . . . . c19468_2md1 1 . 6 . 1752 . 1 1 15 LYS CB C -16.021 1.934 -5.070 . . . 1.0 . . . . . . . . . . . . A . 15 LYS CB . . . . . . . . . c19468_2md1 1 . 6 . 1753 . 1 1 15 LYS CD C -14.329 2.685 -3.371 . . . 1.0 . . . . . . . . . . . . A . 15 LYS CD . . . . . . . . . c19468_2md1 1 . 6 . 1754 . 1 1 15 LYS CE C -14.899 2.125 -2.077 . . . 1.0 . . . . . . . . . . . . A . 15 LYS CE . . . . . . . . . c19468_2md1 1 . 6 . 1755 . 1 1 15 LYS CG C -14.605 1.762 -4.546 . . . 1.0 . . . . . . . . . . . . A . 15 LYS CG . . . . . . . . . c19468_2md1 1 . 6 . 1756 . 1 1 15 LYS H H -16.173 4.176 -6.593 . . . 1.0 . . . . . . . . . . . . A . 15 LYS H . . . . . . . . . c19468_2md1 1 . 6 . 1757 . 1 1 15 LYS HA H -15.401 1.369 -7.040 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HA . . . . . . . . . c19468_2md1 1 . 6 . 1758 . 1 1 15 LYS HB2 H -16.442 2.823 -4.624 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HB2 . . . . . . . . . c19468_2md1 1 . 6 . 1759 . 1 1 15 LYS HB3 H -16.603 1.077 -4.761 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HB3 . . . . . . . . . c19468_2md1 1 . 6 . 1760 . 1 1 15 LYS HD2 H -13.262 2.803 -3.260 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HD2 . . . . . . . . . c19468_2md1 1 . 6 . 1761 . 1 1 15 LYS HD3 H -14.781 3.647 -3.567 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HD3 . . . . . . . . . c19468_2md1 1 . 6 . 1762 . 1 1 15 LYS HE2 H -15.745 1.498 -2.313 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HE2 . . . . . . . . . c19468_2md1 1 . 6 . 1763 . 1 1 15 LYS HE3 H -14.137 1.534 -1.590 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HE3 . . . . . . . . . c19468_2md1 1 . 6 . 1764 . 1 1 15 LYS HG2 H -14.471 0.739 -4.226 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HG2 . . . . . . . . . c19468_2md1 1 . 6 . 1765 . 1 1 15 LYS HG3 H -13.908 1.987 -5.341 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HG3 . . . . . . . . . c19468_2md1 1 . 6 . 1766 . 1 1 15 LYS HZ1 H -15.842 2.797 -0.338 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HZ1 . . . . . . . . . c19468_2md1 1 . 6 . 1767 . 1 1 15 LYS HZ2 H -15.978 3.861 -1.647 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HZ2 . . . . . . . . . c19468_2md1 1 . 6 . 1768 . 1 1 15 LYS HZ3 H -14.516 3.737 -0.805 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HZ3 . . . . . . . . . c19468_2md1 1 . 6 . 1769 . 1 1 15 LYS N N -15.727 3.407 -7.008 . . . 1.0 . . . . . . . . . . . . A . 15 LYS N . . . . . . . . . c19468_2md1 1 . 6 . 1770 . 1 1 15 LYS NZ N -15.339 3.205 -1.152 . . . 1.0 . . . . . . . . . . . . A . 15 LYS NZ . . . . . . . . . c19468_2md1 1 . 6 . 1771 . 1 1 15 LYS O O -17.813 0.552 -7.339 . . . 1.0 . . . . . . . . . . . . A . 15 LYS O . . . . . . . . . c19468_2md1 1 . 6 . 1772 . 1 1 16 SER C C -19.941 3.097 -9.016 . . . 1.0 . . . . . . . . . . . . A . 16 SER C . . . . . . . . . c19468_2md1 1 . 6 . 1773 . 1 1 16 SER CA C -19.734 2.530 -7.614 . . . 1.0 . . . . . . . . . . . . A . 16 SER CA . . . . . . . . . c19468_2md1 1 . 6 . 1774 . 1 1 16 SER CB C -20.707 3.191 -6.636 . . . 1.0 . . . . . . . . . . . . A . 16 SER CB . . . . . . . . . c19468_2md1 1 . 6 . 1775 . 1 1 16 SER H H -18.056 3.632 -6.943 . . . 1.0 . . . . . . . . . . . . A . 16 SER H . . . . . . . . . c19468_2md1 1 . 6 . 1776 . 1 1 16 SER HA H -19.926 1.468 -7.637 . . . 1.0 . . . . . . . . . . . . A . 16 SER HA . . . . . . . . . c19468_2md1 1 . 6 . 1777 . 1 1 16 SER HB2 H -20.180 3.456 -5.732 . . . 1.0 . . . . . . . . . . . . A . 16 SER HB2 . . . . . . . . . c19468_2md1 1 . 6 . 1778 . 1 1 16 SER HB3 H -21.118 4.083 -7.088 . . . 1.0 . . . . . . . . . . . . A . 16 SER HB3 . . . . . . . . . c19468_2md1 1 . 6 . 1779 . 1 1 16 SER HG H -21.666 2.013 -5.399 . . . 1.0 . . . . . . . . . . . . A . 16 SER HG . . . . . . . . . c19468_2md1 1 . 6 . 1780 . 1 1 16 SER N N -18.359 2.729 -7.172 . . . 1.0 . . . . . . . . . . . . A . 16 SER N . . . . . . . . . c19468_2md1 1 . 6 . 1781 . 1 1 16 SER O O -20.735 2.574 -9.798 . . . 1.0 . . . . . . . . . . . . A . 16 SER O . . . . . . . . . c19468_2md1 1 . 6 . 1782 . 1 1 16 SER OG O -21.771 2.315 -6.304 . . . 1.0 . . . . . . . . . . . . A . 16 SER OG . . . . . . . . . c19468_2md1 1 . 6 . 1783 . 1 1 17 ARG C C -18.561 4.017 -11.688 . . . 1.0 . . . . . . . . . . . . A . 17 ARG C . . . . . . . . . c19468_2md1 1 . 6 . 1784 . 1 1 17 ARG CA C -19.326 4.810 -10.632 . . . 1.0 . . . . . . . . . . . . A . 17 ARG CA . . . . . . . . . c19468_2md1 1 . 6 . 1785 . 1 1 17 ARG CB C -18.791 6.241 -10.566 . . . 1.0 . . . . . . . . . . . . A . 17 ARG CB . . . . . . . . . c19468_2md1 1 . 6 . 1786 . 1 1 17 ARG CD C -20.818 7.201 -9.433 . . . 1.0 . . . . . . . . . . . . A . 17 ARG CD . . . . . . . . . c19468_2md1 1 . 6 . 1787 . 1 1 17 ARG CG C -19.308 7.031 -9.376 . . . 1.0 . . . . . . . . . . . . A . 17 ARG CG . . . . . . . . . c19468_2md1 1 . 6 . 1788 . 1 1 17 ARG CZ C -21.520 7.454 -7.091 . . . 1.0 . . . . . . . . . . . . A . 17 ARG CZ . . . . . . . . . c19468_2md1 1 . 6 . 1789 . 1 1 17 ARG H H -18.605 4.541 -8.660 . . . 1.0 . . . . . . . . . . . . A . 17 ARG H . . . . . . . . . c19468_2md1 1 . 6 . 1790 . 1 1 17 ARG HA H -20.370 4.837 -10.905 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HA . . . . . . . . . c19468_2md1 1 . 6 . 1791 . 1 1 17 ARG HB2 H -17.713 6.208 -10.507 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HB2 . . . . . . . . . c19468_2md1 1 . 6 . 1792 . 1 1 17 ARG HB3 H -19.078 6.761 -11.468 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HB3 . . . . . . . . . c19468_2md1 1 . 6 . 1793 . 1 1 17 ARG HD2 H -21.045 8.247 -9.577 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HD2 . . . . . . . . . c19468_2md1 1 . 6 . 1794 . 1 1 17 ARG HD3 H -21.199 6.632 -10.268 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HD3 . . . . . . . . . c19468_2md1 1 . 6 . 1795 . 1 1 17 ARG HE H -21.885 5.853 -8.223 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HE . . . . . . . . . c19468_2md1 1 . 6 . 1796 . 1 1 17 ARG HG2 H -19.051 6.506 -8.468 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HG2 . . . . . . . . . c19468_2md1 1 . 6 . 1797 . 1 1 17 ARG HG3 H -18.845 8.007 -9.374 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HG3 . . . . . . . . . c19468_2md1 1 . 6 . 1798 . 1 1 17 ARG HH11 H -20.505 9.027 -7.849 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HH11 . . . . . . . . . c19468_2md1 1 . 6 . 1799 . 1 1 17 ARG HH12 H -21.005 9.193 -6.198 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HH12 . . . . . . . . . c19468_2md1 1 . 6 . 1800 . 1 1 17 ARG HH21 H -22.550 6.059 -6.051 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HH21 . . . . . . . . . c19468_2md1 1 . 6 . 1801 . 1 1 17 ARG HH22 H -22.167 7.504 -5.176 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HH22 . . . . . . . . . c19468_2md1 1 . 6 . 1802 . 1 1 17 ARG N N -19.221 4.170 -9.326 . . . 1.0 . . . . . . . . . . . . A . 17 ARG N . . . . . . . . . c19468_2md1 1 . 6 . 1803 . 1 1 17 ARG NE N -21.468 6.739 -8.209 . . . 1.0 . . . . . . . . . . . . A . 17 ARG NE . . . . . . . . . c19468_2md1 1 . 6 . 1804 . 1 1 17 ARG NH1 N -20.964 8.656 -7.042 . . . 1.0 . . . . . . . . . . . . A . 17 ARG NH1 . . . . . . . . . c19468_2md1 1 . 6 . 1805 . 1 1 17 ARG NH2 N -22.129 6.965 -6.018 . . . 1.0 . . . . . . . . . . . . A . 17 ARG NH2 . . . . . . . . . c19468_2md1 1 . 6 . 1806 . 1 1 17 ARG O O -19.003 2.953 -12.120 . . . 1.0 . . . . . . . . . . . . A . 17 ARG O . . . . . . . . . c19468_2md1 1 . 7 . 1807 . 1 1 1 TRP C C 3.246 1.731 -1.680 . . . 1.0 . . . . . . . . . . . . A . 1 TRP C . . . . . . . . . c19468_2md1 1 . 7 . 1808 . 1 1 1 TRP CA C 3.591 0.327 -1.197 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CA . . . . . . . . . c19468_2md1 1 . 7 . 1809 . 1 1 1 TRP CB C 3.424 -0.675 -2.341 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CB . . . . . . . . . c19468_2md1 1 . 7 . 1810 . 1 1 1 TRP CD1 C 5.914 -0.690 -2.948 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD1 . . . . . . . . . c19468_2md1 1 . 7 . 1811 . 1 1 1 TRP CD2 C 4.536 -0.740 -4.712 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD2 . . . . . . . . . c19468_2md1 1 . 7 . 1812 . 1 1 1 TRP CE2 C 5.865 -0.752 -5.180 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE2 . . . . . . . . . c19468_2md1 1 . 7 . 1813 . 1 1 1 TRP CE3 C 3.495 -0.769 -5.644 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE3 . . . . . . . . . c19468_2md1 1 . 7 . 1814 . 1 1 1 TRP CG C 4.590 -0.701 -3.282 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CG . . . . . . . . . c19468_2md1 1 . 7 . 1815 . 1 1 1 TRP CH2 C 5.137 -0.817 -7.426 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CH2 . . . . . . . . . c19468_2md1 1 . 7 . 1816 . 1 1 1 TRP CZ2 C 6.177 -0.790 -6.536 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ2 . . . . . . . . . c19468_2md1 1 . 7 . 1817 . 1 1 1 TRP CZ3 C 3.806 -0.806 -6.990 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ3 . . . . . . . . . c19468_2md1 1 . 7 . 1818 . 1 1 1 TRP H1 H 3.175 -0.217 0.806 . . . 1.0 . . . . . . . . . . . . A . 1 TRP H1 . . . . . . . . . c19468_2md1 1 . 7 . 1819 . 1 1 1 TRP HA H 4.620 0.315 -0.867 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HA . . . . . . . . . c19468_2md1 1 . 7 . 1820 . 1 1 1 TRP HB2 H 3.307 -1.666 -1.929 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB2 . . . . . . . . . c19468_2md1 1 . 7 . 1821 . 1 1 1 TRP HB3 H 2.542 -0.418 -2.909 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB3 . . . . . . . . . c19468_2md1 1 . 7 . 1822 . 1 1 1 TRP HD1 H 6.285 -0.660 -1.935 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HD1 . . . . . . . . . c19468_2md1 1 . 7 . 1823 . 1 1 1 TRP HE1 H 7.667 -0.720 -4.105 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE1 . . . . . . . . . c19468_2md1 1 . 7 . 1824 . 1 1 1 TRP HE3 H 2.462 -0.761 -5.327 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE3 . . . . . . . . . c19468_2md1 1 . 7 . 1825 . 1 1 1 TRP HH2 H 5.333 -0.847 -8.486 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HH2 . . . . . . . . . c19468_2md1 1 . 7 . 1826 . 1 1 1 TRP HZ2 H 7.198 -0.800 -6.888 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ2 . . . . . . . . . c19468_2md1 1 . 7 . 1827 . 1 1 1 TRP HZ3 H 3.014 -0.828 -7.724 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ3 . . . . . . . . . c19468_2md1 1 . 7 . 1828 . 1 1 1 TRP N N 2.755 -0.054 -0.065 . . . 1.0 . . . . . . . . . . . . A . 1 TRP N . . . . . . . . . c19468_2md1 1 . 7 . 1829 . 1 1 1 TRP NE1 N 6.686 -0.720 -4.084 . . . 1.0 . . . . . . . . . . . . A . 1 TRP NE1 . . . . . . . . . c19468_2md1 1 . 7 . 1830 . 1 1 1 TRP O O 2.190 1.952 -2.274 . . . 1.0 . . . . . . . . . . . . A . 1 TRP O . . . . . . . . . c19468_2md1 1 . 7 . 1831 . 1 1 2 LYS C C 3.575 4.142 -3.313 . . . 1.0 . . . . . . . . . . . . A . 2 LYS C . . . . . . . . . c19468_2md1 1 . 7 . 1832 . 1 1 2 LYS CA C 3.932 4.062 -1.833 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CA . . . . . . . . . c19468_2md1 1 . 7 . 1833 . 1 1 2 LYS CB C 5.187 4.893 -1.554 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CB . . . . . . . . . c19468_2md1 1 . 7 . 1834 . 1 1 2 LYS CD C 7.391 3.780 -1.090 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CD . . . . . . . . . c19468_2md1 1 . 7 . 1835 . 1 1 2 LYS CE C 8.564 3.029 -1.700 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CE . . . . . . . . . c19468_2md1 1 . 7 . 1836 . 1 1 2 LYS CG C 6.451 4.308 -2.161 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CG . . . . . . . . . c19468_2md1 1 . 7 . 1837 . 1 1 2 LYS H H 4.964 2.440 -0.945 . . . 1.0 . . . . . . . . . . . . A . 2 LYS H . . . . . . . . . c19468_2md1 1 . 7 . 1838 . 1 1 2 LYS HA H 3.112 4.459 -1.254 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HA . . . . . . . . . c19468_2md1 1 . 7 . 1839 . 1 1 2 LYS HB2 H 5.044 5.884 -1.958 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB2 . . . . . . . . . c19468_2md1 1 . 7 . 1840 . 1 1 2 LYS HB3 H 5.326 4.965 -0.485 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB3 . . . . . . . . . c19468_2md1 1 . 7 . 1841 . 1 1 2 LYS HD2 H 7.770 4.612 -0.515 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD2 . . . . . . . . . c19468_2md1 1 . 7 . 1842 . 1 1 2 LYS HD3 H 6.844 3.111 -0.441 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD3 . . . . . . . . . c19468_2md1 1 . 7 . 1843 . 1 1 2 LYS HE2 H 9.165 2.618 -0.903 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE2 . . . . . . . . . c19468_2md1 1 . 7 . 1844 . 1 1 2 LYS HE3 H 8.182 2.226 -2.313 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE3 . . . . . . . . . c19468_2md1 1 . 7 . 1845 . 1 1 2 LYS HG2 H 6.181 3.496 -2.820 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG2 . . . . . . . . . c19468_2md1 1 . 7 . 1846 . 1 1 2 LYS HG3 H 6.958 5.078 -2.725 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG3 . . . . . . . . . c19468_2md1 1 . 7 . 1847 . 1 1 2 LYS HZ1 H 9.847 4.658 -1.952 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ1 . . . . . . . . . c19468_2md1 1 . 7 . 1848 . 1 1 2 LYS HZ2 H 8.840 4.367 -3.280 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ2 . . . . . . . . . c19468_2md1 1 . 7 . 1849 . 1 1 2 LYS HZ3 H 10.171 3.364 -2.992 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ3 . . . . . . . . . c19468_2md1 1 . 7 . 1850 . 1 1 2 LYS N N 4.141 2.678 -1.423 . . . 1.0 . . . . . . . . . . . . A . 2 LYS N . . . . . . . . . c19468_2md1 1 . 7 . 1851 . 1 1 2 LYS NZ N 9.416 3.917 -2.539 . . . 1.0 . . . . . . . . . . . . A . 2 LYS NZ . . . . . . . . . c19468_2md1 1 . 7 . 1852 . 1 1 2 LYS O O 2.937 5.098 -3.757 . . . 1.0 . . . . . . . . . . . . A . 2 LYS O . . . . . . . . . c19468_2md1 1 . 7 . 1853 . 1 1 3 LEU C C 2.252 2.717 -5.764 . . . 1.0 . . . . . . . . . . . . A . 3 LEU C . . . . . . . . . c19468_2md1 1 . 7 . 1854 . 1 1 3 LEU CA C 3.708 3.089 -5.504 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CA . . . . . . . . . c19468_2md1 1 . 7 . 1855 . 1 1 3 LEU CB C 4.635 2.085 -6.193 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CB . . . . . . . . . c19468_2md1 1 . 7 . 1856 . 1 1 3 LEU CD1 C 4.881 3.569 -8.199 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CD1 . . . . . . . . . c19468_2md1 1 . 7 . 1857 . 1 1 3 LEU CD2 C 6.726 3.429 -6.516 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CD2 . . . . . . . . . c19468_2md1 1 . 7 . 1858 . 1 1 3 LEU CG C 5.611 2.666 -7.216 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CG . . . . . . . . . c19468_2md1 1 . 7 . 1859 . 1 1 3 LEU H H 4.491 2.400 -3.662 . . . 1.0 . . . . . . . . . . . . A . 3 LEU H . . . . . . . . . c19468_2md1 1 . 7 . 1860 . 1 1 3 LEU HA H 3.893 4.073 -5.908 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HA . . . . . . . . . c19468_2md1 1 . 7 . 1861 . 1 1 3 LEU HB2 H 5.213 1.590 -5.428 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HB2 . . . . . . . . . c19468_2md1 1 . 7 . 1862 . 1 1 3 LEU HB3 H 4.015 1.360 -6.701 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HB3 . . . . . . . . . c19468_2md1 1 . 7 . 1863 . 1 1 3 LEU HD11 H 3.854 3.684 -7.887 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD11 . . . . . . . . . c19468_2md1 1 . 7 . 1864 . 1 1 3 LEU HD12 H 4.912 3.127 -9.184 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD12 . . . . . . . . . c19468_2md1 1 . 7 . 1865 . 1 1 3 LEU HD13 H 5.361 4.536 -8.224 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD13 . . . . . . . . . c19468_2md1 1 . 7 . 1866 . 1 1 3 LEU HD21 H 7.443 3.772 -7.247 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD21 . . . . . . . . . c19468_2md1 1 . 7 . 1867 . 1 1 3 LEU HD22 H 7.218 2.778 -5.808 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD22 . . . . . . . . . c19468_2md1 1 . 7 . 1868 . 1 1 3 LEU HD23 H 6.309 4.278 -5.994 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD23 . . . . . . . . . c19468_2md1 1 . 7 . 1869 . 1 1 3 LEU HG H 6.059 1.857 -7.776 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HG . . . . . . . . . c19468_2md1 1 . 7 . 1870 . 1 1 3 LEU N N 3.987 3.133 -4.073 . . . 1.0 . . . . . . . . . . . . A . 3 LEU N . . . . . . . . . c19468_2md1 1 . 7 . 1871 . 1 1 3 LEU O O 1.611 3.264 -6.662 . . . 1.0 . . . . . . . . . . . . A . 3 LEU O . . . . . . . . . c19468_2md1 1 . 7 . 1872 . 1 1 4 LEU C C -0.597 2.267 -4.363 . . . 1.0 . . . . . . . . . . . . A . 4 LEU C . . . . . . . . . c19468_2md1 1 . 7 . 1873 . 1 1 4 LEU CA C 0.353 1.340 -5.114 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CA . . . . . . . . . c19468_2md1 1 . 7 . 1874 . 1 1 4 LEU CB C 0.201 -0.092 -4.597 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CB . . . . . . . . . c19468_2md1 1 . 7 . 1875 . 1 1 4 LEU CD1 C 0.436 -0.657 -7.028 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD1 . . . . . . . . . c19468_2md1 1 . 7 . 1876 . 1 1 4 LEU CD2 C 0.799 -2.424 -5.295 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD2 . . . . . . . . . c19468_2md1 1 . 7 . 1877 . 1 1 4 LEU CG C 0.013 -1.174 -5.661 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CG . . . . . . . . . c19468_2md1 1 . 7 . 1878 . 1 1 4 LEU H H 2.295 1.385 -4.274 . . . 1.0 . . . . . . . . . . . . A . 4 LEU H . . . . . . . . . c19468_2md1 1 . 7 . 1879 . 1 1 4 LEU HA H 0.104 1.363 -6.165 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HA . . . . . . . . . c19468_2md1 1 . 7 . 1880 . 1 1 4 LEU HB2 H 1.088 -0.335 -4.032 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB2 . . . . . . . . . c19468_2md1 1 . 7 . 1881 . 1 1 4 LEU HB3 H -0.659 -0.117 -3.943 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB3 . . . . . . . . . c19468_2md1 1 . 7 . 1882 . 1 1 4 LEU HD11 H 1.357 -0.101 -6.933 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD11 . . . . . . . . . c19468_2md1 1 . 7 . 1883 . 1 1 4 LEU HD12 H -0.335 -0.013 -7.424 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD12 . . . . . . . . . c19468_2md1 1 . 7 . 1884 . 1 1 4 LEU HD13 H 0.587 -1.492 -7.697 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD13 . . . . . . . . . c19468_2md1 1 . 7 . 1885 . 1 1 4 LEU HD21 H 1.155 -2.341 -4.279 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD21 . . . . . . . . . c19468_2md1 1 . 7 . 1886 . 1 1 4 LEU HD22 H 1.640 -2.529 -5.965 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD22 . . . . . . . . . c19468_2md1 1 . 7 . 1887 . 1 1 4 LEU HD23 H 0.159 -3.290 -5.383 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD23 . . . . . . . . . c19468_2md1 1 . 7 . 1888 . 1 1 4 LEU HG H -1.034 -1.439 -5.715 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HG . . . . . . . . . c19468_2md1 1 . 7 . 1889 . 1 1 4 LEU N N 1.735 1.784 -4.972 . . . 1.0 . . . . . . . . . . . . A . 4 LEU N . . . . . . . . . c19468_2md1 1 . 7 . 1890 . 1 1 4 LEU O O -1.757 2.425 -4.745 . . . 1.0 . . . . . . . . . . . . A . 4 LEU O . . . . . . . . . c19468_2md1 1 . 7 . 1891 . 1 1 5 SER C C -1.062 5.137 -3.189 . . . 1.0 . . . . . . . . . . . . A . 5 SER C . . . . . . . . . c19468_2md1 1 . 7 . 1892 . 1 1 5 SER CA C -0.902 3.791 -2.490 . . . 1.0 . . . . . . . . . . . . A . 5 SER CA . . . . . . . . . c19468_2md1 1 . 7 . 1893 . 1 1 5 SER CB C -0.263 3.990 -1.114 . . . 1.0 . . . . . . . . . . . . A . 5 SER CB . . . . . . . . . c19468_2md1 1 . 7 . 1894 . 1 1 5 SER H H 0.835 2.713 -3.041 . . . 1.0 . . . . . . . . . . . . A . 5 SER H . . . . . . . . . c19468_2md1 1 . 7 . 1895 . 1 1 5 SER HA H -1.878 3.346 -2.362 . . . 1.0 . . . . . . . . . . . . A . 5 SER HA . . . . . . . . . c19468_2md1 1 . 7 . 1896 . 1 1 5 SER HB2 H 0.803 4.119 -1.231 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB2 . . . . . . . . . c19468_2md1 1 . 7 . 1897 . 1 1 5 SER HB3 H -0.683 4.870 -0.649 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB3 . . . . . . . . . c19468_2md1 1 . 7 . 1898 . 1 1 5 SER HG H -0.246 3.090 0.625 . . . 1.0 . . . . . . . . . . . . A . 5 SER HG . . . . . . . . . c19468_2md1 1 . 7 . 1899 . 1 1 5 SER N N -0.097 2.880 -3.295 . . . 1.0 . . . . . . . . . . . . A . 5 SER N . . . . . . . . . c19468_2md1 1 . 7 . 1900 . 1 1 5 SER O O -1.962 5.914 -2.869 . . . 1.0 . . . . . . . . . . . . A . 5 SER O . . . . . . . . . c19468_2md1 1 . 7 . 1901 . 1 1 5 SER OG O -0.498 2.873 -0.275 . . . 1.0 . . . . . . . . . . . . A . 5 SER OG . . . . . . . . . c19468_2md1 1 . 7 . 1902 . 1 1 6 LYS C C -0.887 6.459 -6.253 . . . 1.0 . . . . . . . . . . . . A . 6 LYS C . . . . . . . . . c19468_2md1 1 . 7 . 1903 . 1 1 6 LYS CA C -0.224 6.659 -4.894 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CA . . . . . . . . . c19468_2md1 1 . 7 . 1904 . 1 1 6 LYS CB C 1.191 7.212 -5.082 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CB . . . . . . . . . c19468_2md1 1 . 7 . 1905 . 1 1 6 LYS CD C 1.837 7.054 -7.504 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CD . . . . . . . . . c19468_2md1 1 . 7 . 1906 . 1 1 6 LYS CE C 3.116 7.725 -7.982 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CE . . . . . . . . . c19468_2md1 1 . 7 . 1907 . 1 1 6 LYS CG C 2.007 6.457 -6.117 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CG . . . . . . . . . c19468_2md1 1 . 7 . 1908 . 1 1 6 LYS H H 0.513 4.748 -4.357 . . . 1.0 . . . . . . . . . . . . A . 6 LYS H . . . . . . . . . c19468_2md1 1 . 7 . 1909 . 1 1 6 LYS HA H -0.805 7.367 -4.323 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HA . . . . . . . . . c19468_2md1 1 . 7 . 1910 . 1 1 6 LYS HB2 H 1.122 8.245 -5.391 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB2 . . . . . . . . . c19468_2md1 1 . 7 . 1911 . 1 1 6 LYS HB3 H 1.712 7.162 -4.137 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB3 . . . . . . . . . c19468_2md1 1 . 7 . 1912 . 1 1 6 LYS HD2 H 1.577 6.267 -8.197 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD2 . . . . . . . . . c19468_2md1 1 . 7 . 1913 . 1 1 6 LYS HD3 H 1.044 7.788 -7.476 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD3 . . . . . . . . . c19468_2md1 1 . 7 . 1914 . 1 1 6 LYS HE2 H 2.869 8.696 -8.384 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE2 . . . . . . . . . c19468_2md1 1 . 7 . 1915 . 1 1 6 LYS HE3 H 3.781 7.843 -7.140 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE3 . . . . . . . . . c19468_2md1 1 . 7 . 1916 . 1 1 6 LYS HG2 H 3.050 6.502 -5.843 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG2 . . . . . . . . . c19468_2md1 1 . 7 . 1917 . 1 1 6 LYS HG3 H 1.681 5.427 -6.137 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG3 . . . . . . . . . c19468_2md1 1 . 7 . 1918 . 1 1 6 LYS HZ1 H 3.171 6.176 -9.382 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ1 . . . . . . . . . c19468_2md1 1 . 7 . 1919 . 1 1 6 LYS HZ2 H 4.663 6.489 -8.646 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ2 . . . . . . . . . c19468_2md1 1 . 7 . 1920 . 1 1 6 LYS HZ3 H 4.067 7.538 -9.832 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ3 . . . . . . . . . c19468_2md1 1 . 7 . 1921 . 1 1 6 LYS N N -0.182 5.407 -4.147 . . . 1.0 . . . . . . . . . . . . A . 6 LYS N . . . . . . . . . c19468_2md1 1 . 7 . 1922 . 1 1 6 LYS NZ N 3.802 6.926 -9.034 . . . 1.0 . . . . . . . . . . . . A . 6 LYS NZ . . . . . . . . . c19468_2md1 1 . 7 . 1923 . 1 1 6 LYS O O -1.375 7.411 -6.862 . . . 1.0 . . . . . . . . . . . . A . 6 LYS O . . . . . . . . . c19468_2md1 1 . 7 . 1924 . 1 1 7 ALA C C -2.908 4.309 -7.822 . . . 1.0 . . . . . . . . . . . . A . 7 ALA C . . . . . . . . . c19468_2md1 1 . 7 . 1925 . 1 1 7 ALA CA C -1.511 4.891 -8.006 . . . 1.0 . . . . . . . . . . . . A . 7 ALA CA . . . . . . . . . c19468_2md1 1 . 7 . 1926 . 1 1 7 ALA CB C -0.629 3.919 -8.776 . . . 1.0 . . . . . . . . . . . . A . 7 ALA CB . . . . . . . . . c19468_2md1 1 . 7 . 1927 . 1 1 7 ALA H H -0.499 4.499 -6.190 . . . 1.0 . . . . . . . . . . . . A . 7 ALA H . . . . . . . . . c19468_2md1 1 . 7 . 1928 . 1 1 7 ALA HA H -1.585 5.804 -8.581 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HA . . . . . . . . . c19468_2md1 1 . 7 . 1929 . 1 1 7 ALA HB1 H -1.029 3.781 -9.770 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB1 . . . . . . . . . c19468_2md1 1 . 7 . 1930 . 1 1 7 ALA HB2 H 0.372 4.316 -8.842 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB2 . . . . . . . . . c19468_2md1 1 . 7 . 1931 . 1 1 7 ALA HB3 H -0.608 2.969 -8.262 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB3 . . . . . . . . . c19468_2md1 1 . 7 . 1932 . 1 1 7 ALA N N -0.903 5.216 -6.722 . . . 1.0 . . . . . . . . . . . . A . 7 ALA N . . . . . . . . . c19468_2md1 1 . 7 . 1933 . 1 1 7 ALA O O -3.672 4.190 -8.780 . . . 1.0 . . . . . . . . . . . . A . 7 ALA O . . . . . . . . . c19468_2md1 1 . 7 . 1934 . 1 1 8 GLN C C -5.409 4.379 -5.522 . . . 1.0 . . . . . . . . . . . . A . 8 GLN C . . . . . . . . . c19468_2md1 1 . 7 . 1935 . 1 1 8 GLN CA C -4.541 3.377 -6.277 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CA . . . . . . . . . c19468_2md1 1 . 7 . 1936 . 1 1 8 GLN CB C -4.380 2.100 -5.451 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CB . . . . . . . . . c19468_2md1 1 . 7 . 1937 . 1 1 8 GLN CD C -5.474 -0.132 -4.993 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CD . . . . . . . . . c19468_2md1 1 . 7 . 1938 . 1 1 8 GLN CG C -5.684 1.351 -5.228 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CG . . . . . . . . . c19468_2md1 1 . 7 . 1939 . 1 1 8 GLN H H -2.583 4.068 -5.864 . . . 1.0 . . . . . . . . . . . . A . 8 GLN H . . . . . . . . . c19468_2md1 1 . 7 . 1940 . 1 1 8 GLN HA H -5.024 3.132 -7.210 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HA . . . . . . . . . c19468_2md1 1 . 7 . 1941 . 1 1 8 GLN HB2 H -3.694 1.440 -5.960 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB2 . . . . . . . . . c19468_2md1 1 . 7 . 1942 . 1 1 8 GLN HB3 H -3.970 2.359 -4.486 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB3 . . . . . . . . . c19468_2md1 1 . 7 . 1943 . 1 1 8 GLN HE21 H -7.438 -0.422 -4.905 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE21 . . . . . . . . . c19468_2md1 1 . 7 . 1944 . 1 1 8 GLN HE22 H -6.461 -1.831 -4.698 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE22 . . . . . . . . . c19468_2md1 1 . 7 . 1945 . 1 1 8 GLN HG2 H -6.182 1.769 -4.365 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG2 . . . . . . . . . c19468_2md1 1 . 7 . 1946 . 1 1 8 GLN HG3 H -6.310 1.478 -6.099 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG3 . . . . . . . . . c19468_2md1 1 . 7 . 1947 . 1 1 8 GLN N N -3.235 3.948 -6.585 . . . 1.0 . . . . . . . . . . . . A . 8 GLN N . . . . . . . . . c19468_2md1 1 . 7 . 1948 . 1 1 8 GLN NE2 N -6.568 -0.870 -4.850 . . . 1.0 . . . . . . . . . . . . A . 8 GLN NE2 . . . . . . . . . c19468_2md1 1 . 7 . 1949 . 1 1 8 GLN O O -6.636 4.303 -5.562 . . . 1.0 . . . . . . . . . . . . A . 8 GLN O . . . . . . . . . c19468_2md1 1 . 7 . 1950 . 1 1 8 GLN OE1 O -4.339 -0.608 -4.940 . . . 1.0 . . . . . . . . . . . . A . 8 GLN OE1 . . . . . . . . . c19468_2md1 1 . 7 . 1951 . 1 1 9 GLU C C -6.451 7.097 -4.962 . . . 1.0 . . . . . . . . . . . . A . 9 GLU C . . . . . . . . . c19468_2md1 1 . 7 . 1952 . 1 1 9 GLU CA C -5.476 6.332 -4.072 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CA . . . . . . . . . c19468_2md1 1 . 7 . 1953 . 1 1 9 GLU CB C -4.487 7.305 -3.426 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CB . . . . . . . . . c19468_2md1 1 . 7 . 1954 . 1 1 9 GLU CD C -2.634 8.981 -3.798 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CD . . . . . . . . . c19468_2md1 1 . 7 . 1955 . 1 1 9 GLU CG C -3.450 7.850 -4.394 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CG . . . . . . . . . c19468_2md1 1 . 7 . 1956 . 1 1 9 GLU H H -3.782 5.324 -4.844 . . . 1.0 . . . . . . . . . . . . A . 9 GLU H . . . . . . . . . c19468_2md1 1 . 7 . 1957 . 1 1 9 GLU HA H -6.033 5.831 -3.295 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HA . . . . . . . . . c19468_2md1 1 . 7 . 1958 . 1 1 9 GLU HB2 H -5.037 8.137 -3.013 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HB2 . . . . . . . . . c19468_2md1 1 . 7 . 1959 . 1 1 9 GLU HB3 H -3.969 6.795 -2.627 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HB3 . . . . . . . . . c19468_2md1 1 . 7 . 1960 . 1 1 9 GLU HG2 H -2.780 7.051 -4.672 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HG2 . . . . . . . . . c19468_2md1 1 . 7 . 1961 . 1 1 9 GLU HG3 H -3.956 8.217 -5.275 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HG3 . . . . . . . . . c19468_2md1 1 . 7 . 1962 . 1 1 9 GLU N N -4.762 5.316 -4.836 . . . 1.0 . . . . . . . . . . . . A . 9 GLU N . . . . . . . . . c19468_2md1 1 . 7 . 1963 . 1 1 9 GLU O O -7.434 7.663 -4.483 . . . 1.0 . . . . . . . . . . . . A . 9 GLU O . . . . . . . . . c19468_2md1 1 . 7 . 1964 . 1 1 9 GLU OE1 O -2.888 9.346 -2.631 . . . 1.0 . . . . . . . . . . . . A . 9 GLU OE1 . . . . . . . . . c19468_2md1 1 . 7 . 1965 . 1 1 9 GLU OE2 O -1.740 9.500 -4.499 . . . 1.0 . . . . . . . . . . . . A . 9 GLU OE2 . . . . . . . . . c19468_2md1 1 . 7 . 1966 . 1 1 10 LYS C C -8.164 6.904 -7.686 . . . 1.0 . . . . . . . . . . . . A . 10 LYS C . . . . . . . . . c19468_2md1 1 . 7 . 1967 . 1 1 10 LYS CA C -7.023 7.804 -7.220 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CA . . . . . . . . . c19468_2md1 1 . 7 . 1968 . 1 1 10 LYS CB C -6.199 8.265 -8.424 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CB . . . . . . . . . c19468_2md1 1 . 7 . 1969 . 1 1 10 LYS CD C -4.779 7.621 -10.393 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CD . . . . . . . . . c19468_2md1 1 . 7 . 1970 . 1 1 10 LYS CE C -5.478 8.609 -11.315 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CE . . . . . . . . . c19468_2md1 1 . 7 . 1971 . 1 1 10 LYS CG C -5.710 7.125 -9.300 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CG . . . . . . . . . c19468_2md1 1 . 7 . 1972 . 1 1 10 LYS H H -5.374 6.640 -6.583 . . . 1.0 . . . . . . . . . . . . A . 10 LYS H . . . . . . . . . c19468_2md1 1 . 7 . 1973 . 1 1 10 LYS HA H -7.441 8.669 -6.727 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HA . . . . . . . . . c19468_2md1 1 . 7 . 1974 . 1 1 10 LYS HB2 H -6.806 8.922 -9.029 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB2 . . . . . . . . . c19468_2md1 1 . 7 . 1975 . 1 1 10 LYS HB3 H -5.338 8.812 -8.067 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB3 . . . . . . . . . c19468_2md1 1 . 7 . 1976 . 1 1 10 LYS HD2 H -3.931 8.110 -9.937 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD2 . . . . . . . . . c19468_2md1 1 . 7 . 1977 . 1 1 10 LYS HD3 H -4.440 6.776 -10.976 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD3 . . . . . . . . . c19468_2md1 1 . 7 . 1978 . 1 1 10 LYS HE2 H -5.265 8.339 -12.338 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE2 . . . . . . . . . c19468_2md1 1 . 7 . 1979 . 1 1 10 LYS HE3 H -6.542 8.551 -11.141 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE3 . . . . . . . . . c19468_2md1 1 . 7 . 1980 . 1 1 10 LYS HG2 H -5.179 6.413 -8.685 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG2 . . . . . . . . . c19468_2md1 1 . 7 . 1981 . 1 1 10 LYS HG3 H -6.563 6.643 -9.757 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG3 . . . . . . . . . c19468_2md1 1 . 7 . 1982 . 1 1 10 LYS HZ1 H -4.283 10.263 -11.761 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ1 . . . . . . . . . c19468_2md1 1 . 7 . 1983 . 1 1 10 LYS HZ2 H -4.637 10.098 -10.115 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ2 . . . . . . . . . c19468_2md1 1 . 7 . 1984 . 1 1 10 LYS HZ3 H -5.821 10.665 -11.182 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ3 . . . . . . . . . c19468_2md1 1 . 7 . 1985 . 1 1 10 LYS N N -6.172 7.110 -6.261 . . . 1.0 . . . . . . . . . . . . A . 10 LYS N . . . . . . . . . c19468_2md1 1 . 7 . 1986 . 1 1 10 LYS NZ N -5.023 10.007 -11.077 . . . 1.0 . . . . . . . . . . . . A . 10 LYS NZ . . . . . . . . . c19468_2md1 1 . 7 . 1987 . 1 1 10 LYS O O -8.803 7.172 -8.703 . . . 1.0 . . . . . . . . . . . . A . 10 LYS O . . . . . . . . . c19468_2md1 1 . 7 . 1988 . 1 1 11 PHE C C -10.498 4.804 -6.141 . . . 1.0 . . . . . . . . . . . . A . 11 PHE C . . . . . . . . . c19468_2md1 1 . 7 . 1989 . 1 1 11 PHE CA C -9.478 4.897 -7.271 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CA . . . . . . . . . c19468_2md1 1 . 7 . 1990 . 1 1 11 PHE CB C -8.893 3.514 -7.561 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CB . . . . . . . . . c19468_2md1 1 . 7 . 1991 . 1 1 11 PHE CD1 C -6.947 4.160 -9.009 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CD1 . . . . . . . . . c19468_2md1 1 . 7 . 1992 . 1 1 11 PHE CD2 C -8.578 2.667 -9.902 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CD2 . . . . . . . . . c19468_2md1 1 . 7 . 1993 . 1 1 11 PHE CE1 C -6.239 4.100 -10.194 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CE1 . . . . . . . . . c19468_2md1 1 . 7 . 1994 . 1 1 11 PHE CE2 C -7.873 2.603 -11.090 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CE2 . . . . . . . . . c19468_2md1 1 . 7 . 1995 . 1 1 11 PHE CG C -8.124 3.446 -8.850 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CG . . . . . . . . . c19468_2md1 1 . 7 . 1996 . 1 1 11 PHE CZ C -6.702 3.319 -11.235 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CZ . . . . . . . . . c19468_2md1 1 . 7 . 1997 . 1 1 11 PHE H H -7.869 5.676 -6.136 . . . 1.0 . . . . . . . . . . . . A . 11 PHE H . . . . . . . . . c19468_2md1 1 . 7 . 1998 . 1 1 11 PHE HA H -9.973 5.263 -8.158 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HA . . . . . . . . . c19468_2md1 1 . 7 . 1999 . 1 1 11 PHE HB2 H -8.222 3.239 -6.761 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HB2 . . . . . . . . . c19468_2md1 1 . 7 . 2000 . 1 1 11 PHE HB3 H -9.696 2.795 -7.614 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HB3 . . . . . . . . . c19468_2md1 1 . 7 . 2001 . 1 1 11 PHE HD1 H -6.583 4.770 -8.195 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HD1 . . . . . . . . . c19468_2md1 1 . 7 . 2002 . 1 1 11 PHE HD2 H -9.495 2.106 -9.789 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HD2 . . . . . . . . . c19468_2md1 1 . 7 . 2003 . 1 1 11 PHE HE1 H -5.323 4.661 -10.305 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HE1 . . . . . . . . . c19468_2md1 1 . 7 . 2004 . 1 1 11 PHE HE2 H -8.238 1.991 -11.902 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HE2 . . . . . . . . . c19468_2md1 1 . 7 . 2005 . 1 1 11 PHE HZ H -6.150 3.271 -12.162 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HZ . . . . . . . . . c19468_2md1 1 . 7 . 2006 . 1 1 11 PHE N N -8.414 5.836 -6.935 . . . 1.0 . . . . . . . . . . . . A . 11 PHE N . . . . . . . . . c19468_2md1 1 . 7 . 2007 . 1 1 11 PHE O O -11.048 3.737 -5.873 . . . 1.0 . . . . . . . . . . . . A . 11 PHE O . . . . . . . . . c19468_2md1 1 . 7 . 2008 . 1 1 12 GLY C C -13.036 6.535 -4.795 . . . 1.0 . . . . . . . . . . . . A . 12 GLY C . . . . . . . . . c19468_2md1 1 . 7 . 2009 . 1 1 12 GLY CA C -11.697 5.955 -4.385 . . . 1.0 . . . . . . . . . . . . A . 12 GLY CA . . . . . . . . . c19468_2md1 1 . 7 . 2010 . 1 1 12 GLY H H -10.276 6.752 -5.737 . . . 1.0 . . . . . . . . . . . . A . 12 GLY H . . . . . . . . . c19468_2md1 1 . 7 . 2011 . 1 1 12 GLY HA2 H -11.847 4.947 -4.030 . . . 1.0 . . . . . . . . . . . . A . 12 GLY HA2 . . . . . . . . . c19468_2md1 1 . 7 . 2012 . 1 1 12 GLY HA3 H -11.290 6.552 -3.582 . . . 1.0 . . . . . . . . . . . . A . 12 GLY HA3 . . . . . . . . . c19468_2md1 1 . 7 . 2013 . 1 1 12 GLY N N -10.745 5.931 -5.479 . . . 1.0 . . . . . . . . . . . . A . 12 GLY N . . . . . . . . . c19468_2md1 1 . 7 . 2014 . 1 1 12 GLY O O -14.047 6.317 -4.126 . . . 1.0 . . . . . . . . . . . . A . 12 GLY O . . . . . . . . . c19468_2md1 1 . 7 . 2015 . 1 1 13 LYS C C -15.171 6.854 -7.054 . . . 1.0 . . . . . . . . . . . . A . 13 LYS C . . . . . . . . . c19468_2md1 1 . 7 . 2016 . 1 1 13 LYS CA C -14.270 7.894 -6.395 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CA . . . . . . . . . c19468_2md1 1 . 7 . 2017 . 1 1 13 LYS CB C -13.937 9.003 -7.395 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CB . . . . . . . . . c19468_2md1 1 . 7 . 2018 . 1 1 13 LYS CD C -15.098 8.704 -9.602 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CD . . . . . . . . . c19468_2md1 1 . 7 . 2019 . 1 1 13 LYS CE C -15.443 9.651 -10.740 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CE . . . . . . . . . c19468_2md1 1 . 7 . 2020 . 1 1 13 LYS CG C -15.115 9.416 -8.260 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CG . . . . . . . . . c19468_2md1 1 . 7 . 2021 . 1 1 13 LYS H H -12.207 7.417 -6.386 . . . 1.0 . . . . . . . . . . . . A . 13 LYS H . . . . . . . . . c19468_2md1 1 . 7 . 2022 . 1 1 13 LYS HA H -14.792 8.323 -5.553 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HA . . . . . . . . . c19468_2md1 1 . 7 . 2023 . 1 1 13 LYS HB2 H -13.595 9.871 -6.850 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB2 . . . . . . . . . c19468_2md1 1 . 7 . 2024 . 1 1 13 LYS HB3 H -13.143 8.661 -8.043 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB3 . . . . . . . . . c19468_2md1 1 . 7 . 2025 . 1 1 13 LYS HD2 H -14.111 8.299 -9.772 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD2 . . . . . . . . . c19468_2md1 1 . 7 . 2026 . 1 1 13 LYS HD3 H -15.820 7.900 -9.582 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD3 . . . . . . . . . c19468_2md1 1 . 7 . 2027 . 1 1 13 LYS HE2 H -15.983 10.495 -10.338 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE2 . . . . . . . . . c19468_2md1 1 . 7 . 2028 . 1 1 13 LYS HE3 H -14.526 9.995 -11.196 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE3 . . . . . . . . . c19468_2md1 1 . 7 . 2029 . 1 1 13 LYS HG2 H -16.032 9.170 -7.745 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG2 . . . . . . . . . c19468_2md1 1 . 7 . 2030 . 1 1 13 LYS HG3 H -15.070 10.483 -8.428 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG3 . . . . . . . . . c19468_2md1 1 . 7 . 2031 . 1 1 13 LYS HZ1 H -16.014 9.328 -12.724 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ1 . . . . . . . . . c19468_2md1 1 . 7 . 2032 . 1 1 13 LYS HZ2 H -17.286 9.204 -11.615 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ2 . . . . . . . . . c19468_2md1 1 . 7 . 2033 . 1 1 13 LYS HZ3 H -16.149 7.959 -11.740 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ3 . . . . . . . . . c19468_2md1 1 . 7 . 2034 . 1 1 13 LYS N N -13.045 7.279 -5.896 . . . 1.0 . . . . . . . . . . . . A . 13 LYS N . . . . . . . . . c19468_2md1 1 . 7 . 2035 . 1 1 13 LYS NZ N -16.282 8.989 -11.778 . . . 1.0 . . . . . . . . . . . . A . 13 LYS NZ . . . . . . . . . c19468_2md1 1 . 7 . 2036 . 1 1 13 LYS O O -16.388 7.020 -7.107 . . . 1.0 . . . . . . . . . . . . A . 13 LYS O . . . . . . . . . c19468_2md1 1 . 7 . 2037 . 1 1 14 ASN C C -16.042 3.855 -7.183 . . . 1.0 . . . . . . . . . . . . A . 14 ASN C . . . . . . . . . c19468_2md1 1 . 7 . 2038 . 1 1 14 ASN CA C -15.311 4.716 -8.209 . . . 1.0 . . . . . . . . . . . . A . 14 ASN CA . . . . . . . . . c19468_2md1 1 . 7 . 2039 . 1 1 14 ASN CB C -14.372 3.846 -9.046 . . . 1.0 . . . . . . . . . . . . A . 14 ASN CB . . . . . . . . . c19468_2md1 1 . 7 . 2040 . 1 1 14 ASN CG C -14.894 3.618 -10.452 . . . 1.0 . . . . . . . . . . . . A . 14 ASN CG . . . . . . . . . c19468_2md1 1 . 7 . 2041 . 1 1 14 ASN H H -13.589 5.708 -7.481 . . . 1.0 . . . . . . . . . . . . A . 14 ASN H . . . . . . . . . c19468_2md1 1 . 7 . 2042 . 1 1 14 ASN HA H -16.040 5.174 -8.861 . . . 1.0 . . . . . . . . . . . . A . 14 ASN HA . . . . . . . . . c19468_2md1 1 . 7 . 2043 . 1 1 14 ASN HB2 H -13.408 4.330 -9.115 . . . 1.0 . . . . . . . . . . . . A . 14 ASN HB2 . . . . . . . . . c19468_2md1 1 . 7 . 2044 . 1 1 14 ASN HB3 H -14.255 2.886 -8.565 . . . 1.0 . . . . . . . . . . . . A . 14 ASN HB3 . . . . . . . . . c19468_2md1 1 . 7 . 2045 . 1 1 14 ASN HD21 H -16.343 2.450 -9.751 . . . 1.0 . . . . . . . . . . . . A . 14 ASN HD21 . . . . . . . . . c19468_2md1 1 . 7 . 2046 . 1 1 14 ASN HD22 H -16.316 2.668 -11.465 . . . 1.0 . . . . . . . . . . . . A . 14 ASN HD22 . . . . . . . . . c19468_2md1 1 . 7 . 2047 . 1 1 14 ASN N N -14.563 5.783 -7.554 . . . 1.0 . . . . . . . . . . . . A . 14 ASN N . . . . . . . . . c19468_2md1 1 . 7 . 2048 . 1 1 14 ASN ND2 N -15.959 2.833 -10.567 . . . 1.0 . . . . . . . . . . . . A . 14 ASN ND2 . . . . . . . . . c19468_2md1 1 . 7 . 2049 . 1 1 14 ASN O O -16.984 3.136 -7.517 . . . 1.0 . . . . . . . . . . . . A . 14 ASN O . . . . . . . . . c19468_2md1 1 . 7 . 2050 . 1 1 14 ASN OD1 O -14.346 4.142 -11.422 . . . 1.0 . . . . . . . . . . . . A . 14 ASN OD1 . . . . . . . . . c19468_2md1 1 . 7 . 2051 . 1 1 15 LYS C C -16.891 4.082 -3.846 . . . 1.0 . . . . . . . . . . . . A . 15 LYS C . . . . . . . . . c19468_2md1 1 . 7 . 2052 . 1 1 15 LYS CA C -16.212 3.162 -4.855 . . . 1.0 . . . . . . . . . . . . A . 15 LYS CA . . . . . . . . . c19468_2md1 1 . 7 . 2053 . 1 1 15 LYS CB C -15.158 2.305 -4.151 . . . 1.0 . . . . . . . . . . . . A . 15 LYS CB . . . . . . . . . c19468_2md1 1 . 7 . 2054 . 1 1 15 LYS CD C -12.994 1.174 -4.741 . . . 1.0 . . . . . . . . . . . . A . 15 LYS CD . . . . . . . . . c19468_2md1 1 . 7 . 2055 . 1 1 15 LYS CE C -12.494 -0.240 -4.994 . . . 1.0 . . . . . . . . . . . . A . 15 LYS CE . . . . . . . . . c19468_2md1 1 . 7 . 2056 . 1 1 15 LYS CG C -14.471 1.309 -5.069 . . . 1.0 . . . . . . . . . . . . A . 15 LYS CG . . . . . . . . . c19468_2md1 1 . 7 . 2057 . 1 1 15 LYS H H -14.845 4.523 -5.728 . . . 1.0 . . . . . . . . . . . . A . 15 LYS H . . . . . . . . . c19468_2md1 1 . 7 . 2058 . 1 1 15 LYS HA H -16.957 2.515 -5.292 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HA . . . . . . . . . c19468_2md1 1 . 7 . 2059 . 1 1 15 LYS HB2 H -14.404 2.956 -3.732 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HB2 . . . . . . . . . c19468_2md1 1 . 7 . 2060 . 1 1 15 LYS HB3 H -15.633 1.757 -3.351 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HB3 . . . . . . . . . c19468_2md1 1 . 7 . 2061 . 1 1 15 LYS HD2 H -12.432 1.858 -5.360 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HD2 . . . . . . . . . c19468_2md1 1 . 7 . 2062 . 1 1 15 LYS HD3 H -12.842 1.419 -3.699 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HD3 . . . . . . . . . c19468_2md1 1 . 7 . 2063 . 1 1 15 LYS HE2 H -11.667 -0.440 -4.330 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HE2 . . . . . . . . . c19468_2md1 1 . 7 . 2064 . 1 1 15 LYS HE3 H -13.296 -0.934 -4.789 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HE3 . . . . . . . . . c19468_2md1 1 . 7 . 2065 . 1 1 15 LYS HG2 H -14.944 0.344 -4.956 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HG2 . . . . . . . . . c19468_2md1 1 . 7 . 2066 . 1 1 15 LYS HG3 H -14.575 1.645 -6.091 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HG3 . . . . . . . . . c19468_2md1 1 . 7 . 2067 . 1 1 15 LYS HZ1 H -11.224 0.188 -6.597 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HZ1 . . . . . . . . . c19468_2md1 1 . 7 . 2068 . 1 1 15 LYS HZ2 H -12.809 -0.182 -7.058 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HZ2 . . . . . . . . . c19468_2md1 1 . 7 . 2069 . 1 1 15 LYS HZ3 H -11.764 -1.415 -6.560 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HZ3 . . . . . . . . . c19468_2md1 1 . 7 . 2070 . 1 1 15 LYS N N -15.600 3.932 -5.932 . . . 1.0 . . . . . . . . . . . . A . 15 LYS N . . . . . . . . . c19468_2md1 1 . 7 . 2071 . 1 1 15 LYS NZ N -12.041 -0.425 -6.401 . . . 1.0 . . . . . . . . . . . . A . 15 LYS NZ . . . . . . . . . c19468_2md1 1 . 7 . 2072 . 1 1 15 LYS O O -16.696 3.946 -2.638 . . . 1.0 . . . . . . . . . . . . A . 15 LYS O . . . . . . . . . c19468_2md1 1 . 7 . 2073 . 1 1 16 SER C C -19.676 5.341 -2.939 . . . 1.0 . . . . . . . . . . . . A . 16 SER C . . . . . . . . . c19468_2md1 1 . 7 . 2074 . 1 1 16 SER CA C -18.397 5.962 -3.492 . . . 1.0 . . . . . . . . . . . . A . 16 SER CA . . . . . . . . . c19468_2md1 1 . 7 . 2075 . 1 1 16 SER CB C -18.729 7.238 -4.267 . . . 1.0 . . . . . . . . . . . . A . 16 SER CB . . . . . . . . . c19468_2md1 1 . 7 . 2076 . 1 1 16 SER H H -17.805 5.076 -5.321 . . . 1.0 . . . . . . . . . . . . A . 16 SER H . . . . . . . . . c19468_2md1 1 . 7 . 2077 . 1 1 16 SER HA H -17.746 6.211 -2.667 . . . 1.0 . . . . . . . . . . . . A . 16 SER HA . . . . . . . . . c19468_2md1 1 . 7 . 2078 . 1 1 16 SER HB2 H -17.813 7.735 -4.547 . . . 1.0 . . . . . . . . . . . . A . 16 SER HB2 . . . . . . . . . c19468_2md1 1 . 7 . 2079 . 1 1 16 SER HB3 H -19.285 6.981 -5.157 . . . 1.0 . . . . . . . . . . . . A . 16 SER HB3 . . . . . . . . . c19468_2md1 1 . 7 . 2080 . 1 1 16 SER HG H -18.928 8.710 -2.990 . . . 1.0 . . . . . . . . . . . . A . 16 SER HG . . . . . . . . . c19468_2md1 1 . 7 . 2081 . 1 1 16 SER N N -17.690 5.018 -4.349 . . . 1.0 . . . . . . . . . . . . A . 16 SER N . . . . . . . . . c19468_2md1 1 . 7 . 2082 . 1 1 16 SER O O -19.951 5.421 -1.742 . . . 1.0 . . . . . . . . . . . . A . 16 SER O . . . . . . . . . c19468_2md1 1 . 7 . 2083 . 1 1 16 SER OG O -19.508 8.124 -3.481 . . . 1.0 . . . . . . . . . . . . A . 16 SER OG . . . . . . . . . c19468_2md1 1 . 7 . 2084 . 1 1 17 ARG C C -21.574 2.570 -3.435 . . . 1.0 . . . . . . . . . . . . A . 17 ARG C . . . . . . . . . c19468_2md1 1 . 7 . 2085 . 1 1 17 ARG CA C -21.707 4.090 -3.423 . . . 1.0 . . . . . . . . . . . . A . 17 ARG CA . . . . . . . . . c19468_2md1 1 . 7 . 2086 . 1 1 17 ARG CB C -22.840 4.521 -4.355 . . . 1.0 . . . . . . . . . . . . A . 17 ARG CB . . . . . . . . . c19468_2md1 1 . 7 . 2087 . 1 1 17 ARG CD C -22.893 5.379 -6.717 . . . 1.0 . . . . . . . . . . . . A . 17 ARG CD . . . . . . . . . c19468_2md1 1 . 7 . 2088 . 1 1 17 ARG CG C -22.585 4.192 -5.817 . . . 1.0 . . . . . . . . . . . . A . 17 ARG CG . . . . . . . . . c19468_2md1 1 . 7 . 2089 . 1 1 17 ARG CZ C -23.905 5.816 -8.914 . . . 1.0 . . . . . . . . . . . . A . 17 ARG CZ . . . . . . . . . c19468_2md1 1 . 7 . 2090 . 1 1 17 ARG H H -20.183 4.694 -4.762 . . . 1.0 . . . . . . . . . . . . A . 17 ARG H . . . . . . . . . c19468_2md1 1 . 7 . 2091 . 1 1 17 ARG HA H -21.937 4.412 -2.418 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HA . . . . . . . . . c19468_2md1 1 . 7 . 2092 . 1 1 17 ARG HB2 H -23.750 4.025 -4.051 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HB2 . . . . . . . . . c19468_2md1 1 . 7 . 2093 . 1 1 17 ARG HB3 H -22.976 5.589 -4.267 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HB3 . . . . . . . . . c19468_2md1 1 . 7 . 2094 . 1 1 17 ARG HD2 H -23.512 6.076 -6.172 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HD2 . . . . . . . . . c19468_2md1 1 . 7 . 2095 . 1 1 17 ARG HD3 H -21.964 5.859 -6.987 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HD3 . . . . . . . . . c19468_2md1 1 . 7 . 2096 . 1 1 17 ARG HE H -23.837 4.032 -8.026 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HE . . . . . . . . . c19468_2md1 1 . 7 . 2097 . 1 1 17 ARG HG2 H -21.547 3.922 -5.940 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HG2 . . . . . . . . . c19468_2md1 1 . 7 . 2098 . 1 1 17 ARG HG3 H -23.213 3.362 -6.104 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HG3 . . . . . . . . . c19468_2md1 1 . 7 . 2099 . 1 1 17 ARG HH11 H -23.105 7.436 -8.009 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HH11 . . . . . . . . . c19468_2md1 1 . 7 . 2100 . 1 1 17 ARG HH12 H -23.822 7.730 -9.559 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HH12 . . . . . . . . . c19468_2md1 1 . 7 . 2101 . 1 1 17 ARG HH21 H -24.784 4.407 -10.067 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HH21 . . . . . . . . . c19468_2md1 1 . 7 . 2102 . 1 1 17 ARG HH22 H -24.777 6.007 -10.728 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HH22 . . . . . . . . . c19468_2md1 1 . 7 . 2103 . 1 1 17 ARG N N -20.455 4.724 -3.821 . . . 1.0 . . . . . . . . . . . . A . 17 ARG N . . . . . . . . . c19468_2md1 1 . 7 . 2104 . 1 1 17 ARG NE N -23.591 4.976 -7.935 . . . 1.0 . . . . . . . . . . . . A . 17 ARG NE . . . . . . . . . c19468_2md1 1 . 7 . 2105 . 1 1 17 ARG NH1 N -23.585 7.099 -8.819 . . . 1.0 . . . . . . . . . . . . A . 17 ARG NH1 . . . . . . . . . c19468_2md1 1 . 7 . 2106 . 1 1 17 ARG NH2 N -24.541 5.374 -9.992 . . . 1.0 . . . . . . . . . . . . A . 17 ARG NH2 . . . . . . . . . c19468_2md1 1 . 7 . 2107 . 1 1 17 ARG O O -22.540 1.855 -3.705 . . . 1.0 . . . . . . . . . . . . A . 17 ARG O . . . . . . . . . c19468_2md1 1 . 8 . 2108 . 1 1 1 TRP C C 2.590 1.664 -1.841 . . . 1.0 . . . . . . . . . . . . A . 1 TRP C . . . . . . . . . c19468_2md1 1 . 8 . 2109 . 1 1 1 TRP CA C 2.876 0.223 -1.433 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CA . . . . . . . . . c19468_2md1 1 . 8 . 2110 . 1 1 1 TRP CB C 2.782 -0.694 -2.654 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CB . . . . . . . . . c19468_2md1 1 . 8 . 2111 . 1 1 1 TRP CD1 C 5.310 -0.715 -3.074 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD1 . . . . . . . . . c19468_2md1 1 . 8 . 2112 . 1 1 1 TRP CD2 C 4.068 -0.616 -4.935 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD2 . . . . . . . . . c19468_2md1 1 . 8 . 2113 . 1 1 1 TRP CE2 C 5.429 -0.621 -5.302 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE2 . . . . . . . . . c19468_2md1 1 . 8 . 2114 . 1 1 1 TRP CE3 C 3.100 -0.560 -5.941 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE3 . . . . . . . . . c19468_2md1 1 . 8 . 2115 . 1 1 1 TRP CG C 4.015 -0.677 -3.506 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CG . . . . . . . . . c19468_2md1 1 . 8 . 2116 . 1 1 1 TRP CH2 C 4.872 -0.516 -7.595 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CH2 . . . . . . . . . c19468_2md1 1 . 8 . 2117 . 1 1 1 TRP CZ2 C 5.841 -0.570 -6.630 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ2 . . . . . . . . . c19468_2md1 1 . 8 . 2118 . 1 1 1 TRP CZ3 C 3.511 -0.509 -7.259 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ3 . . . . . . . . . c19468_2md1 1 . 8 . 2119 . 1 1 1 TRP H1 H 2.289 -0.747 0.356 . . . 1.0 . . . . . . . . . . . . A . 1 TRP H1 . . . . . . . . . c19468_2md1 1 . 8 . 2120 . 1 1 1 TRP HA H 3.875 0.167 -1.028 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HA . . . . . . . . . c19468_2md1 1 . 8 . 2121 . 1 1 1 TRP HB2 H 2.620 -1.709 -2.323 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB2 . . . . . . . . . c19468_2md1 1 . 8 . 2122 . 1 1 1 TRP HB3 H 1.948 -0.382 -3.266 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB3 . . . . . . . . . c19468_2md1 1 . 8 . 2123 . 1 1 1 TRP HD1 H 5.604 -0.763 -2.036 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HD1 . . . . . . . . . c19468_2md1 1 . 8 . 2124 . 1 1 1 TRP HE1 H 7.144 -0.699 -4.097 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE1 . . . . . . . . . c19468_2md1 1 . 8 . 2125 . 1 1 1 TRP HE3 H 2.047 -0.554 -5.702 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE3 . . . . . . . . . c19468_2md1 1 . 8 . 2126 . 1 1 1 TRP HH2 H 5.147 -0.475 -8.637 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HH2 . . . . . . . . . c19468_2md1 1 . 8 . 2127 . 1 1 1 TRP HZ2 H 6.886 -0.575 -6.905 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ2 . . . . . . . . . c19468_2md1 1 . 8 . 2128 . 1 1 1 TRP HZ3 H 2.777 -0.465 -8.050 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ3 . . . . . . . . . c19468_2md1 1 . 8 . 2129 . 1 1 1 TRP N N 1.949 -0.218 -0.397 . . . 1.0 . . . . . . . . . . . . A . 1 TRP N . . . . . . . . . c19468_2md1 1 . 8 . 2130 . 1 1 1 TRP NE1 N 6.165 -0.681 -4.148 . . . 1.0 . . . . . . . . . . . . A . 1 TRP NE1 . . . . . . . . . c19468_2md1 1 . 8 . 2131 . 1 1 1 TRP O O 1.590 1.946 -2.501 . . . 1.0 . . . . . . . . . . . . A . 1 TRP O . . . . . . . . . c19468_2md1 1 . 8 . 2132 . 1 1 2 LYS C C 3.076 4.176 -3.264 . . . 1.0 . . . . . . . . . . . . A . 2 LYS C . . . . . . . . . c19468_2md1 1 . 8 . 2133 . 1 1 2 LYS CA C 3.319 3.985 -1.770 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CA . . . . . . . . . c19468_2md1 1 . 8 . 2134 . 1 1 2 LYS CB C 4.561 4.769 -1.341 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CB . . . . . . . . . c19468_2md1 1 . 8 . 2135 . 1 1 2 LYS CD C 6.610 3.437 -0.758 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CD . . . . . . . . . c19468_2md1 1 . 8 . 2136 . 1 1 2 LYS CE C 8.105 3.399 -1.032 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CE . . . . . . . . . c19468_2md1 1 . 8 . 2137 . 1 1 2 LYS CG C 5.862 4.176 -1.855 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CG . . . . . . . . . c19468_2md1 1 . 8 . 2138 . 1 1 2 LYS H H 4.252 2.286 -0.920 . . . 1.0 . . . . . . . . . . . . A . 2 LYS H . . . . . . . . . c19468_2md1 1 . 8 . 2139 . 1 1 2 LYS HA H 2.463 4.358 -1.228 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HA . . . . . . . . . c19468_2md1 1 . 8 . 2140 . 1 1 2 LYS HB2 H 4.479 5.781 -1.710 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB2 . . . . . . . . . c19468_2md1 1 . 8 . 2141 . 1 1 2 LYS HB3 H 4.602 4.791 -0.261 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB3 . . . . . . . . . c19468_2md1 1 . 8 . 2142 . 1 1 2 LYS HD2 H 6.440 3.939 0.183 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD2 . . . . . . . . . c19468_2md1 1 . 8 . 2143 . 1 1 2 LYS HD3 H 6.237 2.424 -0.700 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD3 . . . . . . . . . c19468_2md1 1 . 8 . 2144 . 1 1 2 LYS HE2 H 8.270 3.582 -2.083 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE2 . . . . . . . . . c19468_2md1 1 . 8 . 2145 . 1 1 2 LYS HE3 H 8.584 4.174 -0.452 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE3 . . . . . . . . . c19468_2md1 1 . 8 . 2146 . 1 1 2 LYS HG2 H 5.640 3.485 -2.654 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG2 . . . . . . . . . c19468_2md1 1 . 8 . 2147 . 1 1 2 LYS HG3 H 6.487 4.975 -2.230 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG3 . . . . . . . . . c19468_2md1 1 . 8 . 2148 . 1 1 2 LYS HZ1 H 9.519 1.881 -1.280 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ1 . . . . . . . . . c19468_2md1 1 . 8 . 2149 . 1 1 2 LYS HZ2 H 7.998 1.327 -0.787 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ2 . . . . . . . . . c19468_2md1 1 . 8 . 2150 . 1 1 2 LYS HZ3 H 9.018 2.095 0.322 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ3 . . . . . . . . . c19468_2md1 1 . 8 . 2151 . 1 1 2 LYS N N 3.474 2.573 -1.445 . . . 1.0 . . . . . . . . . . . . A . 2 LYS N . . . . . . . . . c19468_2md1 1 . 8 . 2152 . 1 1 2 LYS NZ N 8.702 2.083 -0.669 . . . 1.0 . . . . . . . . . . . . A . 2 LYS NZ . . . . . . . . . c19468_2md1 1 . 8 . 2153 . 1 1 2 LYS O O 2.481 5.169 -3.685 . . . 1.0 . . . . . . . . . . . . A . 2 LYS O . . . . . . . . . c19468_2md1 1 . 8 . 2154 . 1 1 3 LEU C C 1.930 2.964 -5.903 . . . 1.0 . . . . . . . . . . . . A . 3 LEU C . . . . . . . . . c19468_2md1 1 . 8 . 2155 . 1 1 3 LEU CA C 3.369 3.280 -5.508 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CA . . . . . . . . . c19468_2md1 1 . 8 . 2156 . 1 1 3 LEU CB C 4.325 2.303 -6.195 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CB . . . . . . . . . c19468_2md1 1 . 8 . 2157 . 1 1 3 LEU CD1 C 4.720 3.897 -8.088 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CD1 . . . . . . . . . c19468_2md1 1 . 8 . 2158 . 1 1 3 LEU CD2 C 6.452 3.624 -6.305 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CD2 . . . . . . . . . c19468_2md1 1 . 8 . 2159 . 1 1 3 LEU CG C 5.373 2.925 -7.118 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CG . . . . . . . . . c19468_2md1 1 . 8 . 2160 . 1 1 3 LEU H H 4.004 2.452 -3.667 . . . 1.0 . . . . . . . . . . . . A . 3 LEU H . . . . . . . . . c19468_2md1 1 . 8 . 2161 . 1 1 3 LEU HA H 3.605 4.285 -5.827 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HA . . . . . . . . . c19468_2md1 1 . 8 . 2162 . 1 1 3 LEU HB2 H 4.846 1.754 -5.425 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HB2 . . . . . . . . . c19468_2md1 1 . 8 . 2163 . 1 1 3 LEU HB3 H 3.730 1.617 -6.782 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HB3 . . . . . . . . . c19468_2md1 1 . 8 . 2164 . 1 1 3 LEU HD11 H 3.683 4.031 -7.820 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD11 . . . . . . . . . c19468_2md1 1 . 8 . 2165 . 1 1 3 LEU HD12 H 4.784 3.503 -9.091 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD12 . . . . . . . . . c19468_2md1 1 . 8 . 2166 . 1 1 3 LEU HD13 H 5.230 4.849 -8.042 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD13 . . . . . . . . . c19468_2md1 1 . 8 . 2167 . 1 1 3 LEU HD21 H 6.048 4.524 -5.868 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD21 . . . . . . . . . c19468_2md1 1 . 8 . 2168 . 1 1 3 LEU HD22 H 7.281 3.877 -6.950 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD22 . . . . . . . . . c19468_2md1 1 . 8 . 2169 . 1 1 3 LEU HD23 H 6.795 2.965 -5.520 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD23 . . . . . . . . . c19468_2md1 1 . 8 . 2170 . 1 1 3 LEU HG H 5.843 2.142 -7.697 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HG . . . . . . . . . c19468_2md1 1 . 8 . 2171 . 1 1 3 LEU N N 3.538 3.219 -4.061 . . . 1.0 . . . . . . . . . . . . A . 3 LEU N . . . . . . . . . c19468_2md1 1 . 8 . 2172 . 1 1 3 LEU O O 1.367 3.598 -6.796 . . . 1.0 . . . . . . . . . . . . A . 3 LEU O . . . . . . . . . c19468_2md1 1 . 8 . 2173 . 1 1 4 LEU C C -1.023 2.480 -4.769 . . . 1.0 . . . . . . . . . . . . A . 4 LEU C . . . . . . . . . c19468_2md1 1 . 8 . 2174 . 1 1 4 LEU CA C -0.035 1.583 -5.509 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CA . . . . . . . . . c19468_2md1 1 . 8 . 2175 . 1 1 4 LEU CB C -0.255 0.124 -5.108 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CB . . . . . . . . . c19468_2md1 1 . 8 . 2176 . 1 1 4 LEU CD1 C 0.168 -0.279 -7.546 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD1 . . . . . . . . . c19468_2md1 1 . 8 . 2177 . 1 1 4 LEU CD2 C 0.351 -2.170 -5.918 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD2 . . . . . . . . . c19468_2md1 1 . 8 . 2178 . 1 1 4 LEU CG C -0.376 -0.877 -6.257 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CG . . . . . . . . . c19468_2md1 1 . 8 . 2179 . 1 1 4 LEU H H 1.840 1.514 -4.530 . . . 1.0 . . . . . . . . . . . . A . 4 LEU H . . . . . . . . . c19468_2md1 1 . 8 . 2180 . 1 1 4 LEU HA H -0.201 1.685 -6.571 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HA . . . . . . . . . c19468_2md1 1 . 8 . 2181 . 1 1 4 LEU HB2 H 0.579 -0.179 -4.493 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB2 . . . . . . . . . c19468_2md1 1 . 8 . 2182 . 1 1 4 LEU HB3 H -1.165 0.074 -4.527 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB3 . . . . . . . . . c19468_2md1 1 . 8 . 2183 . 1 1 4 LEU HD11 H 0.362 -1.069 -8.255 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD11 . . . . . . . . . c19468_2md1 1 . 8 . 2184 . 1 1 4 LEU HD12 H 1.085 0.251 -7.337 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD12 . . . . . . . . . c19468_2md1 1 . 8 . 2185 . 1 1 4 LEU HD13 H -0.558 0.406 -7.959 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD13 . . . . . . . . . c19468_2md1 1 . 8 . 2186 . 1 1 4 LEU HD21 H 0.621 -2.168 -4.873 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD21 . . . . . . . . . c19468_2md1 1 . 8 . 2187 . 1 1 4 LEU HD22 H 1.244 -2.248 -6.521 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD22 . . . . . . . . . c19468_2md1 1 . 8 . 2188 . 1 1 4 LEU HD23 H -0.295 -3.011 -6.123 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD23 . . . . . . . . . c19468_2md1 1 . 8 . 2189 . 1 1 4 LEU HG H -1.421 -1.111 -6.414 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HG . . . . . . . . . c19468_2md1 1 . 8 . 2190 . 1 1 4 LEU N N 1.340 1.982 -5.230 . . . 1.0 . . . . . . . . . . . . A . 4 LEU N . . . . . . . . . c19468_2md1 1 . 8 . 2191 . 1 1 4 LEU O O -2.142 2.701 -5.230 . . . 1.0 . . . . . . . . . . . . A . 4 LEU O . . . . . . . . . c19468_2md1 1 . 8 . 2192 . 1 1 5 SER C C -1.528 5.262 -3.426 . . . 1.0 . . . . . . . . . . . . A . 5 SER C . . . . . . . . . c19468_2md1 1 . 8 . 2193 . 1 1 5 SER CA C -1.447 3.867 -2.814 . . . 1.0 . . . . . . . . . . . . A . 5 SER CA . . . . . . . . . c19468_2md1 1 . 8 . 2194 . 1 1 5 SER CB C -0.912 3.955 -1.383 . . . 1.0 . . . . . . . . . . . . A . 5 SER CB . . . . . . . . . c19468_2md1 1 . 8 . 2195 . 1 1 5 SER H H 0.304 2.782 -3.304 . . . 1.0 . . . . . . . . . . . . A . 5 SER H . . . . . . . . . c19468_2md1 1 . 8 . 2196 . 1 1 5 SER HA H -2.438 3.438 -2.793 . . . 1.0 . . . . . . . . . . . . A . 5 SER HA . . . . . . . . . c19468_2md1 1 . 8 . 2197 . 1 1 5 SER HB2 H 0.157 4.102 -1.410 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB2 . . . . . . . . . c19468_2md1 1 . 8 . 2198 . 1 1 5 SER HB3 H -1.378 4.789 -0.878 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB3 . . . . . . . . . c19468_2md1 1 . 8 . 2199 . 1 1 5 SER HG H -1.165 2.953 0.281 . . . 1.0 . . . . . . . . . . . . A . 5 SER HG . . . . . . . . . c19468_2md1 1 . 8 . 2200 . 1 1 5 SER N N -0.600 2.995 -3.619 . . . 1.0 . . . . . . . . . . . . A . 5 SER N . . . . . . . . . c19468_2md1 1 . 8 . 2201 . 1 1 5 SER O O -2.425 6.043 -3.106 . . . 1.0 . . . . . . . . . . . . A . 5 SER O . . . . . . . . . c19468_2md1 1 . 8 . 2202 . 1 1 5 SER OG O -1.192 2.769 -0.660 . . . 1.0 . . . . . . . . . . . . A . 5 SER OG . . . . . . . . . c19468_2md1 1 . 8 . 2203 . 1 1 6 LYS C C -1.063 6.770 -6.397 . . . 1.0 . . . . . . . . . . . . A . 6 LYS C . . . . . . . . . c19468_2md1 1 . 8 . 2204 . 1 1 6 LYS CA C -0.545 6.870 -4.966 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CA . . . . . . . . . c19468_2md1 1 . 8 . 2205 . 1 1 6 LYS CB C 0.883 7.423 -4.967 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CB . . . . . . . . . c19468_2md1 1 . 8 . 2206 . 1 1 6 LYS CD C 1.763 7.461 -7.320 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CD . . . . . . . . . c19468_2md1 1 . 8 . 2207 . 1 1 6 LYS CE C 3.158 7.603 -7.909 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CE . . . . . . . . . c19468_2md1 1 . 8 . 2208 . 1 1 6 LYS CG C 1.795 6.750 -5.977 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CG . . . . . . . . . c19468_2md1 1 . 8 . 2209 . 1 1 6 LYS H H 0.107 4.906 -4.521 . . . 1.0 . . . . . . . . . . . . A . 6 LYS H . . . . . . . . . c19468_2md1 1 . 8 . 2210 . 1 1 6 LYS HA H -1.181 7.542 -4.411 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HA . . . . . . . . . c19468_2md1 1 . 8 . 2211 . 1 1 6 LYS HB2 H 0.847 8.479 -5.193 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB2 . . . . . . . . . c19468_2md1 1 . 8 . 2212 . 1 1 6 LYS HB3 H 1.308 7.289 -3.983 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB3 . . . . . . . . . c19468_2md1 1 . 8 . 2213 . 1 1 6 LYS HD2 H 1.151 6.892 -8.004 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD2 . . . . . . . . . c19468_2md1 1 . 8 . 2214 . 1 1 6 LYS HD3 H 1.336 8.445 -7.185 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD3 . . . . . . . . . c19468_2md1 1 . 8 . 2215 . 1 1 6 LYS HE2 H 3.662 6.652 -7.839 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE2 . . . . . . . . . c19468_2md1 1 . 8 . 2216 . 1 1 6 LYS HE3 H 3.068 7.887 -8.947 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE3 . . . . . . . . . c19468_2md1 1 . 8 . 2217 . 1 1 6 LYS HG2 H 2.807 6.762 -5.600 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG2 . . . . . . . . . c19468_2md1 1 . 8 . 2218 . 1 1 6 LYS HG3 H 1.473 5.727 -6.114 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG3 . . . . . . . . . c19468_2md1 1 . 8 . 2219 . 1 1 6 LYS HZ1 H 3.642 9.585 -7.460 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ1 . . . . . . . . . c19468_2md1 1 . 8 . 2220 . 1 1 6 LYS HZ2 H 4.967 8.532 -7.435 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ2 . . . . . . . . . c19468_2md1 1 . 8 . 2221 . 1 1 6 LYS HZ3 H 3.852 8.517 -6.164 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ3 . . . . . . . . . c19468_2md1 1 . 8 . 2222 . 1 1 6 LYS N N -0.582 5.570 -4.307 . . . 1.0 . . . . . . . . . . . . A . 6 LYS N . . . . . . . . . c19468_2md1 1 . 8 . 2223 . 1 1 6 LYS NZ N 3.961 8.632 -7.192 . . . 1.0 . . . . . . . . . . . . A . 6 LYS NZ . . . . . . . . . c19468_2md1 1 . 8 . 2224 . 1 1 6 LYS O O -1.428 7.775 -7.006 . . . 1.0 . . . . . . . . . . . . A . 6 LYS O . . . . . . . . . c19468_2md1 1 . 8 . 2225 . 1 1 7 ALA C C -2.985 4.750 -8.279 . . . 1.0 . . . . . . . . . . . . A . 7 ALA C . . . . . . . . . c19468_2md1 1 . 8 . 2226 . 1 1 7 ALA CA C -1.571 5.321 -8.284 . . . 1.0 . . . . . . . . . . . . A . 7 ALA CA . . . . . . . . . c19468_2md1 1 . 8 . 2227 . 1 1 7 ALA CB C -0.625 4.387 -9.025 . . . 1.0 . . . . . . . . . . . . A . 7 ALA CB . . . . . . . . . c19468_2md1 1 . 8 . 2228 . 1 1 7 ALA H H -0.789 4.790 -6.391 . . . 1.0 . . . . . . . . . . . . A . 7 ALA H . . . . . . . . . c19468_2md1 1 . 8 . 2229 . 1 1 7 ALA HA H -1.579 6.270 -8.802 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HA . . . . . . . . . c19468_2md1 1 . 8 . 2230 . 1 1 7 ALA HB1 H -0.935 4.307 -10.057 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB1 . . . . . . . . . c19468_2md1 1 . 8 . 2231 . 1 1 7 ALA HB2 H 0.379 4.781 -8.979 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB2 . . . . . . . . . c19468_2md1 1 . 8 . 2232 . 1 1 7 ALA HB3 H -0.651 3.411 -8.564 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB3 . . . . . . . . . c19468_2md1 1 . 8 . 2233 . 1 1 7 ALA N N -1.094 5.552 -6.927 . . . 1.0 . . . . . . . . . . . . A . 7 ALA N . . . . . . . . . c19468_2md1 1 . 8 . 2234 . 1 1 7 ALA O O -3.644 4.691 -9.318 . . . 1.0 . . . . . . . . . . . . A . 7 ALA O . . . . . . . . . c19468_2md1 1 . 8 . 2235 . 1 1 8 GLN C C -5.687 4.692 -6.165 . . . 1.0 . . . . . . . . . . . . A . 8 GLN C . . . . . . . . . c19468_2md1 1 . 8 . 2236 . 1 1 8 GLN CA C -4.781 3.763 -6.967 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CA . . . . . . . . . c19468_2md1 1 . 8 . 2237 . 1 1 8 GLN CB C -4.708 2.393 -6.290 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CB . . . . . . . . . c19468_2md1 1 . 8 . 2238 . 1 1 8 GLN CD C -4.560 0.573 -8.036 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CD . . . . . . . . . c19468_2md1 1 . 8 . 2239 . 1 1 8 GLN CG C -3.810 1.403 -7.014 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CG . . . . . . . . . c19468_2md1 1 . 8 . 2240 . 1 1 8 GLN H H -2.873 4.404 -6.314 . . . 1.0 . . . . . . . . . . . . A . 8 GLN H . . . . . . . . . c19468_2md1 1 . 8 . 2241 . 1 1 8 GLN HA H -5.194 3.643 -7.957 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HA . . . . . . . . . c19468_2md1 1 . 8 . 2242 . 1 1 8 GLN HB2 H -4.332 2.520 -5.286 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB2 . . . . . . . . . c19468_2md1 1 . 8 . 2243 . 1 1 8 GLN HB3 H -5.703 1.975 -6.243 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB3 . . . . . . . . . c19468_2md1 1 . 8 . 2244 . 1 1 8 GLN HE21 H -5.479 -0.428 -6.584 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE21 . . . . . . . . . c19468_2md1 1 . 8 . 2245 . 1 1 8 GLN HE22 H -5.894 -0.893 -8.196 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE22 . . . . . . . . . c19468_2md1 1 . 8 . 2246 . 1 1 8 GLN HG2 H -3.029 1.950 -7.522 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG2 . . . . . . . . . c19468_2md1 1 . 8 . 2247 . 1 1 8 GLN HG3 H -3.368 0.739 -6.286 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG3 . . . . . . . . . c19468_2md1 1 . 8 . 2248 . 1 1 8 GLN N N -3.445 4.331 -7.105 . . . 1.0 . . . . . . . . . . . . A . 8 GLN N . . . . . . . . . c19468_2md1 1 . 8 . 2249 . 1 1 8 GLN NE2 N -5.395 -0.343 -7.558 . . . 1.0 . . . . . . . . . . . . A . 8 GLN NE2 . . . . . . . . . c19468_2md1 1 . 8 . 2250 . 1 1 8 GLN O O -6.911 4.621 -6.270 . . . 1.0 . . . . . . . . . . . . A . 8 GLN O . . . . . . . . . c19468_2md1 1 . 8 . 2251 . 1 1 8 GLN OE1 O -4.393 0.752 -9.243 . . . 1.0 . . . . . . . . . . . . A . 8 GLN OE1 . . . . . . . . . c19468_2md1 1 . 8 . 2252 . 1 1 9 GLU C C -6.783 7.329 -5.403 . . . 1.0 . . . . . . . . . . . . A . 9 GLU C . . . . . . . . . c19468_2md1 1 . 8 . 2253 . 1 1 9 GLU CA C -5.829 6.502 -4.545 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CA . . . . . . . . . c19468_2md1 1 . 8 . 2254 . 1 1 9 GLU CB C -4.876 7.428 -3.787 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CB . . . . . . . . . c19468_2md1 1 . 8 . 2255 . 1 1 9 GLU CD C -3.032 9.145 -3.964 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CD . . . . . . . . . c19468_2md1 1 . 8 . 2256 . 1 1 9 GLU CG C -3.789 8.031 -4.661 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CG . . . . . . . . . c19468_2md1 1 . 8 . 2257 . 1 1 9 GLU H H -4.097 5.568 -5.326 . . . 1.0 . . . . . . . . . . . . A . 9 GLU H . . . . . . . . . c19468_2md1 1 . 8 . 2258 . 1 1 9 GLU HA H -6.407 5.933 -3.833 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HA . . . . . . . . . c19468_2md1 1 . 8 . 2259 . 1 1 9 GLU HB2 H -5.447 8.234 -3.350 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HB2 . . . . . . . . . c19468_2md1 1 . 8 . 2260 . 1 1 9 GLU HB3 H -4.402 6.866 -2.996 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HB3 . . . . . . . . . c19468_2md1 1 . 8 . 2261 . 1 1 9 GLU HG2 H -3.089 7.254 -4.929 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HG2 . . . . . . . . . c19468_2md1 1 . 8 . 2262 . 1 1 9 GLU HG3 H -4.244 8.429 -5.556 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HG3 . . . . . . . . . c19468_2md1 1 . 8 . 2263 . 1 1 9 GLU N N -5.076 5.561 -5.365 . . . 1.0 . . . . . . . . . . . . A . 9 GLU N . . . . . . . . . c19468_2md1 1 . 8 . 2264 . 1 1 9 GLU O O -7.784 7.852 -4.912 . . . 1.0 . . . . . . . . . . . . A . 9 GLU O . . . . . . . . . c19468_2md1 1 . 8 . 2265 . 1 1 9 GLU OE1 O -2.704 8.984 -2.770 . . . 1.0 . . . . . . . . . . . . A . 9 GLU OE1 . . . . . . . . . c19468_2md1 1 . 8 . 2266 . 1 1 9 GLU OE2 O -2.766 10.177 -4.615 . . . 1.0 . . . . . . . . . . . . A . 9 GLU OE2 . . . . . . . . . c19468_2md1 1 . 8 . 2267 . 1 1 10 LYS C C -8.432 7.348 -8.159 . . . 1.0 . . . . . . . . . . . . A . 10 LYS C . . . . . . . . . c19468_2md1 1 . 8 . 2268 . 1 1 10 LYS CA C -7.293 8.205 -7.617 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CA . . . . . . . . . c19468_2md1 1 . 8 . 2269 . 1 1 10 LYS CB C -6.442 8.733 -8.774 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CB . . . . . . . . . c19468_2md1 1 . 8 . 2270 . 1 1 10 LYS CD C -6.211 7.535 -10.969 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CD . . . . . . . . . c19468_2md1 1 . 8 . 2271 . 1 1 10 LYS CE C -5.530 8.549 -11.876 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CE . . . . . . . . . c19468_2md1 1 . 8 . 2272 . 1 1 10 LYS CG C -5.711 7.644 -9.538 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CG . . . . . . . . . c19468_2md1 1 . 8 . 2273 . 1 1 10 LYS H H -5.655 7.003 -7.021 . . . 1.0 . . . . . . . . . . . . A . 10 LYS H . . . . . . . . . c19468_2md1 1 . 8 . 2274 . 1 1 10 LYS HA H -7.712 9.041 -7.078 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HA . . . . . . . . . c19468_2md1 1 . 8 . 2275 . 1 1 10 LYS HB2 H -7.084 9.261 -9.465 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB2 . . . . . . . . . c19468_2md1 1 . 8 . 2276 . 1 1 10 LYS HB3 H -5.708 9.422 -8.380 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB3 . . . . . . . . . c19468_2md1 1 . 8 . 2277 . 1 1 10 LYS HD2 H -6.004 6.542 -11.339 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD2 . . . . . . . . . c19468_2md1 1 . 8 . 2278 . 1 1 10 LYS HD3 H -7.277 7.711 -10.983 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD3 . . . . . . . . . c19468_2md1 1 . 8 . 2279 . 1 1 10 LYS HE2 H -6.287 9.165 -12.337 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE2 . . . . . . . . . c19468_2md1 1 . 8 . 2280 . 1 1 10 LYS HE3 H -4.878 9.167 -11.277 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE3 . . . . . . . . . c19468_2md1 1 . 8 . 2281 . 1 1 10 LYS HG2 H -4.656 7.873 -9.554 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG2 . . . . . . . . . c19468_2md1 1 . 8 . 2282 . 1 1 10 LYS HG3 H -5.869 6.698 -9.039 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG3 . . . . . . . . . c19468_2md1 1 . 8 . 2283 . 1 1 10 LYS HZ1 H -3.749 8.239 -12.922 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ1 . . . . . . . . . c19468_2md1 1 . 8 . 2284 . 1 1 10 LYS HZ2 H -5.138 8.091 -13.876 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ2 . . . . . . . . . c19468_2md1 1 . 8 . 2285 . 1 1 10 LYS HZ3 H -4.718 6.859 -12.796 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ3 . . . . . . . . . c19468_2md1 1 . 8 . 2286 . 1 1 10 LYS N N -6.466 7.443 -6.688 . . . 1.0 . . . . . . . . . . . . A . 10 LYS N . . . . . . . . . c19468_2md1 1 . 8 . 2287 . 1 1 10 LYS NZ N -4.727 7.888 -12.942 . . . 1.0 . . . . . . . . . . . . A . 10 LYS NZ . . . . . . . . . c19468_2md1 1 . 8 . 2288 . 1 1 10 LYS O O -9.057 7.692 -9.163 . . . 1.0 . . . . . . . . . . . . A . 10 LYS O . . . . . . . . . c19468_2md1 1 . 8 . 2289 . 1 1 11 PHE C C -10.797 5.158 -6.793 . . . 1.0 . . . . . . . . . . . . A . 11 PHE C . . . . . . . . . c19468_2md1 1 . 8 . 2290 . 1 1 11 PHE CA C -9.764 5.327 -7.903 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CA . . . . . . . . . c19468_2md1 1 . 8 . 2291 . 1 1 11 PHE CB C -9.183 3.964 -8.286 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CB . . . . . . . . . c19468_2md1 1 . 8 . 2292 . 1 1 11 PHE CD1 C -8.811 4.692 -10.658 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CD1 . . . . . . . . . c19468_2md1 1 . 8 . 2293 . 1 1 11 PHE CD2 C -7.157 3.322 -9.621 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CD2 . . . . . . . . . c19468_2md1 1 . 8 . 2294 . 1 1 11 PHE CE1 C -8.063 4.719 -11.820 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CE1 . . . . . . . . . c19468_2md1 1 . 8 . 2295 . 1 1 11 PHE CE2 C -6.405 3.347 -10.780 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CE2 . . . . . . . . . c19468_2md1 1 . 8 . 2296 . 1 1 11 PHE CG C -8.367 3.993 -9.547 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CG . . . . . . . . . c19468_2md1 1 . 8 . 2297 . 1 1 11 PHE CZ C -6.857 4.047 -11.880 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CZ . . . . . . . . . c19468_2md1 1 . 8 . 2298 . 1 1 11 PHE H H -8.166 6.013 -6.695 . . . 1.0 . . . . . . . . . . . . A . 11 PHE H . . . . . . . . . c19468_2md1 1 . 8 . 2299 . 1 1 11 PHE HA H -10.247 5.758 -8.766 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HA . . . . . . . . . c19468_2md1 1 . 8 . 2300 . 1 1 11 PHE HB2 H -8.546 3.615 -7.487 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HB2 . . . . . . . . . c19468_2md1 1 . 8 . 2301 . 1 1 11 PHE HB3 H -9.992 3.264 -8.428 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HB3 . . . . . . . . . c19468_2md1 1 . 8 . 2302 . 1 1 11 PHE HD1 H -9.753 5.219 -10.613 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HD1 . . . . . . . . . c19468_2md1 1 . 8 . 2303 . 1 1 11 PHE HD2 H -6.802 2.774 -8.759 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HD2 . . . . . . . . . c19468_2md1 1 . 8 . 2304 . 1 1 11 PHE HE1 H -8.419 5.267 -12.679 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HE1 . . . . . . . . . c19468_2md1 1 . 8 . 2305 . 1 1 11 PHE HE2 H -5.463 2.820 -10.823 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HE2 . . . . . . . . . c19468_2md1 1 . 8 . 2306 . 1 1 11 PHE HZ H -6.271 4.067 -12.787 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HZ . . . . . . . . . c19468_2md1 1 . 8 . 2307 . 1 1 11 PHE N N -8.699 6.232 -7.488 . . . 1.0 . . . . . . . . . . . . A . 11 PHE N . . . . . . . . . c19468_2md1 1 . 8 . 2308 . 1 1 11 PHE O O -11.380 4.087 -6.630 . . . 1.0 . . . . . . . . . . . . A . 11 PHE O . . . . . . . . . c19468_2md1 1 . 8 . 2309 . 1 1 12 GLY C C -13.355 6.654 -5.367 . . . 1.0 . . . . . . . . . . . . A . 12 GLY C . . . . . . . . . c19468_2md1 1 . 8 . 2310 . 1 1 12 GLY CA C -11.980 6.175 -4.945 . . . 1.0 . . . . . . . . . . . . A . 12 GLY CA . . . . . . . . . c19468_2md1 1 . 8 . 2311 . 1 1 12 GLY H H -10.524 7.053 -6.207 . . . 1.0 . . . . . . . . . . . . A . 12 GLY H . . . . . . . . . c19468_2md1 1 . 8 . 2312 . 1 1 12 GLY HA2 H -12.057 5.157 -4.594 . . . 1.0 . . . . . . . . . . . . A . 12 GLY HA2 . . . . . . . . . c19468_2md1 1 . 8 . 2313 . 1 1 12 GLY HA3 H -11.627 6.799 -4.137 . . . 1.0 . . . . . . . . . . . . A . 12 GLY HA3 . . . . . . . . . c19468_2md1 1 . 8 . 2314 . 1 1 12 GLY N N -11.018 6.225 -6.031 . . . 1.0 . . . . . . . . . . . . A . 12 GLY N . . . . . . . . . c19468_2md1 1 . 8 . 2315 . 1 1 12 GLY O O -14.014 7.396 -4.637 . . . 1.0 . . . . . . . . . . . . A . 12 GLY O . . . . . . . . . c19468_2md1 1 . 8 . 2316 . 1 1 13 LYS C C -16.009 5.408 -7.212 . . . 1.0 . . . . . . . . . . . . A . 13 LYS C . . . . . . . . . c19468_2md1 1 . 8 . 2317 . 1 1 13 LYS CA C -15.096 6.621 -7.068 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CA . . . . . . . . . c19468_2md1 1 . 8 . 2318 . 1 1 13 LYS CB C -14.942 7.320 -8.421 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CB . . . . . . . . . c19468_2md1 1 . 8 . 2319 . 1 1 13 LYS CD C -12.686 7.676 -9.468 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CD . . . . . . . . . c19468_2md1 1 . 8 . 2320 . 1 1 13 LYS CE C -12.761 8.369 -10.820 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CE . . . . . . . . . c19468_2md1 1 . 8 . 2321 . 1 1 13 LYS CG C -13.724 8.224 -8.503 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CG . . . . . . . . . c19468_2md1 1 . 8 . 2322 . 1 1 13 LYS H H -13.220 5.641 -7.085 . . . 1.0 . . . . . . . . . . . . A . 13 LYS H . . . . . . . . . c19468_2md1 1 . 8 . 2323 . 1 1 13 LYS HA H -15.540 7.310 -6.365 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HA . . . . . . . . . c19468_2md1 1 . 8 . 2324 . 1 1 13 LYS HB2 H -14.860 6.569 -9.193 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB2 . . . . . . . . . c19468_2md1 1 . 8 . 2325 . 1 1 13 LYS HB3 H -15.822 7.919 -8.606 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB3 . . . . . . . . . c19468_2md1 1 . 8 . 2326 . 1 1 13 LYS HD2 H -11.702 7.830 -9.051 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD2 . . . . . . . . . c19468_2md1 1 . 8 . 2327 . 1 1 13 LYS HD3 H -12.859 6.618 -9.605 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD3 . . . . . . . . . c19468_2md1 1 . 8 . 2328 . 1 1 13 LYS HE2 H -12.430 9.390 -10.705 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE2 . . . . . . . . . c19468_2md1 1 . 8 . 2329 . 1 1 13 LYS HE3 H -12.108 7.855 -11.509 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE3 . . . . . . . . . c19468_2md1 1 . 8 . 2330 . 1 1 13 LYS HG2 H -14.035 9.201 -8.843 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG2 . . . . . . . . . c19468_2md1 1 . 8 . 2331 . 1 1 13 LYS HG3 H -13.281 8.307 -7.521 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG3 . . . . . . . . . c19468_2md1 1 . 8 . 2332 . 1 1 13 LYS HZ1 H -14.727 9.073 -10.876 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ1 . . . . . . . . . c19468_2md1 1 . 8 . 2333 . 1 1 13 LYS HZ2 H -14.577 7.428 -11.244 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ2 . . . . . . . . . c19468_2md1 1 . 8 . 2334 . 1 1 13 LYS HZ3 H -14.127 8.594 -12.384 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ3 . . . . . . . . . c19468_2md1 1 . 8 . 2335 . 1 1 13 LYS N N -13.791 6.231 -6.549 . . . 1.0 . . . . . . . . . . . . A . 13 LYS N . . . . . . . . . c19468_2md1 1 . 8 . 2336 . 1 1 13 LYS NZ N -14.145 8.366 -11.369 . . . 1.0 . . . . . . . . . . . . A . 13 LYS NZ . . . . . . . . . c19468_2md1 1 . 8 . 2337 . 1 1 13 LYS O O -17.230 5.543 -7.282 . . . 1.0 . . . . . . . . . . . . A . 13 LYS O . . . . . . . . . c19468_2md1 1 . 8 . 2338 . 1 1 14 ASN C C -16.506 2.403 -6.019 . . . 1.0 . . . . . . . . . . . . A . 14 ASN C . . . . . . . . . c19468_2md1 1 . 8 . 2339 . 1 1 14 ASN CA C -16.169 2.986 -7.388 . . . 1.0 . . . . . . . . . . . . A . 14 ASN CA . . . . . . . . . c19468_2md1 1 . 8 . 2340 . 1 1 14 ASN CB C -15.379 1.964 -8.209 . . . 1.0 . . . . . . . . . . . . A . 14 ASN CB . . . . . . . . . c19468_2md1 1 . 8 . 2341 . 1 1 14 ASN CG C -15.633 2.099 -9.698 . . . 1.0 . . . . . . . . . . . . A . 14 ASN CG . . . . . . . . . c19468_2md1 1 . 8 . 2342 . 1 1 14 ASN H H -14.432 4.179 -7.193 . . . 1.0 . . . . . . . . . . . . A . 14 ASN H . . . . . . . . . c19468_2md1 1 . 8 . 2343 . 1 1 14 ASN HA H -17.088 3.216 -7.905 . . . 1.0 . . . . . . . . . . . . A . 14 ASN HA . . . . . . . . . c19468_2md1 1 . 8 . 2344 . 1 1 14 ASN HB2 H -14.323 2.106 -8.030 . . . 1.0 . . . . . . . . . . . . A . 14 ASN HB2 . . . . . . . . . c19468_2md1 1 . 8 . 2345 . 1 1 14 ASN HB3 H -15.662 0.968 -7.903 . . . 1.0 . . . . . . . . . . . . A . 14 ASN HB3 . . . . . . . . . c19468_2md1 1 . 8 . 2346 . 1 1 14 ASN HD21 H -16.768 0.466 -9.678 . . . 1.0 . . . . . . . . . . . . A . 14 ASN HD21 . . . . . . . . . c19468_2md1 1 . 8 . 2347 . 1 1 14 ASN HD22 H -16.588 1.237 -11.214 . . . 1.0 . . . . . . . . . . . . A . 14 ASN HD22 . . . . . . . . . c19468_2md1 1 . 8 . 2348 . 1 1 14 ASN N N -15.409 4.223 -7.254 . . . 1.0 . . . . . . . . . . . . A . 14 ASN N . . . . . . . . . c19468_2md1 1 . 8 . 2349 . 1 1 14 ASN ND2 N -16.408 1.174 -10.252 . . . 1.0 . . . . . . . . . . . . A . 14 ASN ND2 . . . . . . . . . c19468_2md1 1 . 8 . 2350 . 1 1 14 ASN O O -17.409 1.576 -5.889 . . . 1.0 . . . . . . . . . . . . A . 14 ASN O . . . . . . . . . c19468_2md1 1 . 8 . 2351 . 1 1 14 ASN OD1 O -15.138 3.024 -10.342 . . . 1.0 . . . . . . . . . . . . A . 14 ASN OD1 . . . . . . . . . c19468_2md1 1 . 8 . 2352 . 1 1 15 LYS C C -16.913 3.311 -2.874 . . . 1.0 . . . . . . . . . . . . A . 15 LYS C . . . . . . . . . c19468_2md1 1 . 8 . 2353 . 1 1 15 LYS CA C -15.995 2.364 -3.639 . . . 1.0 . . . . . . . . . . . . A . 15 LYS CA . . . . . . . . . c19468_2md1 1 . 8 . 2354 . 1 1 15 LYS CB C -14.660 2.225 -2.903 . . . 1.0 . . . . . . . . . . . . A . 15 LYS CB . . . . . . . . . c19468_2md1 1 . 8 . 2355 . 1 1 15 LYS CD C -14.088 -0.041 -3.822 . . . 1.0 . . . . . . . . . . . . A . 15 LYS CD . . . . . . . . . c19468_2md1 1 . 8 . 2356 . 1 1 15 LYS CE C -13.087 -1.015 -3.220 . . . 1.0 . . . . . . . . . . . . A . 15 LYS CE . . . . . . . . . c19468_2md1 1 . 8 . 2357 . 1 1 15 LYS CG C -13.633 1.399 -3.657 . . . 1.0 . . . . . . . . . . . . A . 15 LYS CG . . . . . . . . . c19468_2md1 1 . 8 . 2358 . 1 1 15 LYS H H -15.068 3.500 -5.167 . . . 1.0 . . . . . . . . . . . . A . 15 LYS H . . . . . . . . . c19468_2md1 1 . 8 . 2359 . 1 1 15 LYS HA H -16.466 1.395 -3.699 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HA . . . . . . . . . c19468_2md1 1 . 8 . 2360 . 1 1 15 LYS HB2 H -14.249 3.210 -2.738 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HB2 . . . . . . . . . c19468_2md1 1 . 8 . 2361 . 1 1 15 LYS HB3 H -14.838 1.754 -1.946 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HB3 . . . . . . . . . c19468_2md1 1 . 8 . 2362 . 1 1 15 LYS HD2 H -15.039 -0.169 -3.327 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HD2 . . . . . . . . . c19468_2md1 1 . 8 . 2363 . 1 1 15 LYS HD3 H -14.197 -0.257 -4.876 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HD3 . . . . . . . . . c19468_2md1 1 . 8 . 2364 . 1 1 15 LYS HE2 H -12.236 -1.090 -3.879 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HE2 . . . . . . . . . c19468_2md1 1 . 8 . 2365 . 1 1 15 LYS HE3 H -12.766 -0.634 -2.261 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HE3 . . . . . . . . . c19468_2md1 1 . 8 . 2366 . 1 1 15 LYS HG2 H -13.483 1.832 -4.634 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HG2 . . . . . . . . . c19468_2md1 1 . 8 . 2367 . 1 1 15 LYS HG3 H -12.702 1.412 -3.108 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HG3 . . . . . . . . . c19468_2md1 1 . 8 . 2368 . 1 1 15 LYS HZ1 H -13.742 -2.593 -2.017 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HZ1 . . . . . . . . . c19468_2md1 1 . 8 . 2369 . 1 1 15 LYS HZ2 H -13.079 -3.086 -3.494 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HZ2 . . . . . . . . . c19468_2md1 1 . 8 . 2370 . 1 1 15 LYS HZ3 H -14.628 -2.407 -3.446 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HZ3 . . . . . . . . . c19468_2md1 1 . 8 . 2371 . 1 1 15 LYS N N -15.774 2.840 -5.000 . . . 1.0 . . . . . . . . . . . . A . 15 LYS N . . . . . . . . . c19468_2md1 1 . 8 . 2372 . 1 1 15 LYS NZ N -13.675 -2.370 -3.031 . . . 1.0 . . . . . . . . . . . . A . 15 LYS NZ . . . . . . . . . c19468_2md1 1 . 8 . 2373 . 1 1 15 LYS O O -17.768 2.875 -2.104 . . . 1.0 . . . . . . . . . . . . A . 15 LYS O . . . . . . . . . c19468_2md1 1 . 8 . 2374 . 1 1 16 SER C C -19.030 5.362 -2.652 . . . 1.0 . . . . . . . . . . . . A . 16 SER C . . . . . . . . . c19468_2md1 1 . 8 . 2375 . 1 1 16 SER CA C -17.544 5.619 -2.422 . . . 1.0 . . . . . . . . . . . . A . 16 SER CA . . . . . . . . . c19468_2md1 1 . 8 . 2376 . 1 1 16 SER CB C -17.173 7.016 -2.922 . . . 1.0 . . . . . . . . . . . . A . 16 SER CB . . . . . . . . . c19468_2md1 1 . 8 . 2377 . 1 1 16 SER H H -16.034 4.896 -3.719 . . . 1.0 . . . . . . . . . . . . A . 16 SER H . . . . . . . . . c19468_2md1 1 . 8 . 2378 . 1 1 16 SER HA H -17.339 5.558 -1.364 . . . 1.0 . . . . . . . . . . . . A . 16 SER HA . . . . . . . . . c19468_2md1 1 . 8 . 2379 . 1 1 16 SER HB2 H -16.179 6.994 -3.342 . . . 1.0 . . . . . . . . . . . . A . 16 SER HB2 . . . . . . . . . c19468_2md1 1 . 8 . 2380 . 1 1 16 SER HB3 H -17.878 7.323 -3.681 . . . 1.0 . . . . . . . . . . . . A . 16 SER HB3 . . . . . . . . . c19468_2md1 1 . 8 . 2381 . 1 1 16 SER HG H -16.811 8.785 -2.162 . . . 1.0 . . . . . . . . . . . . A . 16 SER HG . . . . . . . . . c19468_2md1 1 . 8 . 2382 . 1 1 16 SER N N -16.732 4.610 -3.093 . . . 1.0 . . . . . . . . . . . . A . 16 SER N . . . . . . . . . c19468_2md1 1 . 8 . 2383 . 1 1 16 SER O O -19.857 5.609 -1.775 . . . 1.0 . . . . . . . . . . . . A . 16 SER O . . . . . . . . . c19468_2md1 1 . 8 . 2384 . 1 1 16 SER OG O -17.200 7.960 -1.865 . . . 1.0 . . . . . . . . . . . . A . 16 SER OG . . . . . . . . . c19468_2md1 1 . 8 . 2385 . 1 1 17 ARG C C -21.253 3.349 -3.428 . . . 1.0 . . . . . . . . . . . . A . 17 ARG C . . . . . . . . . c19468_2md1 1 . 8 . 2386 . 1 1 17 ARG CA C -20.747 4.573 -4.186 . . . 1.0 . . . . . . . . . . . . A . 17 ARG CA . . . . . . . . . c19468_2md1 1 . 8 . 2387 . 1 1 17 ARG CB C -20.880 4.345 -5.693 . . . 1.0 . . . . . . . . . . . . A . 17 ARG CB . . . . . . . . . c19468_2md1 1 . 8 . 2388 . 1 1 17 ARG CD C -21.199 6.784 -6.209 . . . 1.0 . . . . . . . . . . . . A . 17 ARG CD . . . . . . . . . c19468_2md1 1 . 8 . 2389 . 1 1 17 ARG CG C -20.412 5.523 -6.531 . . . 1.0 . . . . . . . . . . . . A . 17 ARG CG . . . . . . . . . c19468_2md1 1 . 8 . 2390 . 1 1 17 ARG CZ C -22.417 8.558 -7.398 . . . 1.0 . . . . . . . . . . . . A . 17 ARG CZ . . . . . . . . . c19468_2md1 1 . 8 . 2391 . 1 1 17 ARG H H -18.656 4.687 -4.497 . . . 1.0 . . . . . . . . . . . . A . 17 ARG H . . . . . . . . . c19468_2md1 1 . 8 . 2392 . 1 1 17 ARG HA H -21.345 5.428 -3.906 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HA . . . . . . . . . c19468_2md1 1 . 8 . 2393 . 1 1 17 ARG HB2 H -20.294 3.480 -5.968 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HB2 . . . . . . . . . c19468_2md1 1 . 8 . 2394 . 1 1 17 ARG HB3 H -21.917 4.155 -5.925 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HB3 . . . . . . . . . c19468_2md1 1 . 8 . 2395 . 1 1 17 ARG HD2 H -22.036 6.519 -5.581 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HD2 . . . . . . . . . c19468_2md1 1 . 8 . 2396 . 1 1 17 ARG HD3 H -20.554 7.468 -5.678 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HD3 . . . . . . . . . c19468_2md1 1 . 8 . 2397 . 1 1 17 ARG HE H -21.488 7.027 -8.277 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HE . . . . . . . . . c19468_2md1 1 . 8 . 2398 . 1 1 17 ARG HG2 H -19.367 5.703 -6.331 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HG2 . . . . . . . . . c19468_2md1 1 . 8 . 2399 . 1 1 17 ARG HG3 H -20.544 5.284 -7.576 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HG3 . . . . . . . . . c19468_2md1 1 . 8 . 2400 . 1 1 17 ARG HH11 H -22.402 8.738 -5.386 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HH11 . . . . . . . . . c19468_2md1 1 . 8 . 2401 . 1 1 17 ARG HH12 H -23.257 9.982 -6.236 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HH12 . . . . . . . . . c19468_2md1 1 . 8 . 2402 . 1 1 17 ARG HH21 H -22.611 8.659 -9.407 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HH21 . . . . . . . . . c19468_2md1 1 . 8 . 2403 . 1 1 17 ARG HH22 H -23.376 9.935 -8.523 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HH22 . . . . . . . . . c19468_2md1 1 . 8 . 2404 . 1 1 17 ARG N N -19.361 4.863 -3.839 . . . 1.0 . . . . . . . . . . . . A . 17 ARG N . . . . . . . . . c19468_2md1 1 . 8 . 2405 . 1 1 17 ARG NE N -21.699 7.440 -7.414 . . . 1.0 . . . . . . . . . . . . A . 17 ARG NE . . . . . . . . . c19468_2md1 1 . 8 . 2406 . 1 1 17 ARG NH1 N -22.717 9.140 -6.245 . . . 1.0 . . . . . . . . . . . . A . 17 ARG NH1 . . . . . . . . . c19468_2md1 1 . 8 . 2407 . 1 1 17 ARG NH2 N -22.836 9.095 -8.536 . . . 1.0 . . . . . . . . . . . . A . 17 ARG NH2 . . . . . . . . . c19468_2md1 1 . 8 . 2408 . 1 1 17 ARG O O -21.819 2.431 -4.021 . . . 1.0 . . . . . . . . . . . . A . 17 ARG O . . . . . . . . . c19468_2md1 1 . 9 . 2409 . 1 1 1 TRP C C 2.268 0.309 -2.591 . . . 1.0 . . . . . . . . . . . . A . 1 TRP C . . . . . . . . . c19468_2md1 1 . 9 . 2410 . 1 1 1 TRP CA C 2.773 -1.124 -2.710 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CA . . . . . . . . . c19468_2md1 1 . 9 . 2411 . 1 1 1 TRP CB C 3.175 -1.418 -4.157 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CB . . . . . . . . . c19468_2md1 1 . 9 . 2412 . 1 1 1 TRP CD1 C 5.669 -0.985 -3.756 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD1 . . . . . . . . . c19468_2md1 1 . 9 . 2413 . 1 1 1 TRP CD2 C 4.903 -0.213 -5.714 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD2 . . . . . . . . . c19468_2md1 1 . 9 . 2414 . 1 1 1 TRP CE2 C 6.276 0.088 -5.618 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE2 . . . . . . . . . c19468_2md1 1 . 9 . 2415 . 1 1 1 TRP CE3 C 4.207 0.175 -6.862 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE3 . . . . . . . . . c19468_2md1 1 . 9 . 2416 . 1 1 1 TRP CG C 4.535 -0.899 -4.513 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CG . . . . . . . . . c19468_2md1 1 . 9 . 2417 . 1 1 1 TRP CH2 C 6.257 1.127 -7.740 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CH2 . . . . . . . . . c19468_2md1 1 . 9 . 2418 . 1 1 1 TRP CZ2 C 6.963 0.758 -6.627 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ2 . . . . . . . . . c19468_2md1 1 . 9 . 2419 . 1 1 1 TRP CZ3 C 4.890 0.841 -7.862 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ3 . . . . . . . . . c19468_2md1 1 . 9 . 2420 . 1 1 1 TRP H1 H 1.990 -2.733 -1.577 . . . 1.0 . . . . . . . . . . . . A . 1 TRP H1 . . . . . . . . . c19468_2md1 1 . 9 . 2421 . 1 1 1 TRP HA H 3.639 -1.243 -2.075 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HA . . . . . . . . . c19468_2md1 1 . 9 . 2422 . 1 1 1 TRP HB2 H 3.174 -2.486 -4.314 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB2 . . . . . . . . . c19468_2md1 1 . 9 . 2423 . 1 1 1 TRP HB3 H 2.458 -0.959 -4.822 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB3 . . . . . . . . . c19468_2md1 1 . 9 . 2424 . 1 1 1 TRP HD1 H 5.717 -1.450 -2.783 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HD1 . . . . . . . . . c19468_2md1 1 . 9 . 2425 . 1 1 1 TRP HE1 H 7.638 -0.327 -4.077 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE1 . . . . . . . . . c19468_2md1 1 . 9 . 2426 . 1 1 1 TRP HE3 H 3.154 -0.036 -6.975 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE3 . . . . . . . . . c19468_2md1 1 . 9 . 2427 . 1 1 1 TRP HH2 H 6.750 1.649 -8.545 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HH2 . . . . . . . . . c19468_2md1 1 . 9 . 2428 . 1 1 1 TRP HZ2 H 8.016 0.985 -6.548 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ2 . . . . . . . . . c19468_2md1 1 . 9 . 2429 . 1 1 1 TRP HZ3 H 4.369 1.149 -8.756 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ3 . . . . . . . . . c19468_2md1 1 . 9 . 2430 . 1 1 1 TRP N N 1.759 -2.073 -2.265 . . . 1.0 . . . . . . . . . . . . A . 1 TRP N . . . . . . . . . c19468_2md1 1 . 9 . 2431 . 1 1 1 TRP NE1 N 6.719 -0.393 -4.415 . . . 1.0 . . . . . . . . . . . . A . 1 TRP NE1 . . . . . . . . . c19468_2md1 1 . 9 . 2432 . 1 1 1 TRP O O 1.405 0.740 -3.356 . . . 1.0 . . . . . . . . . . . . A . 1 TRP O . . . . . . . . . c19468_2md1 1 . 9 . 2433 . 1 1 2 LYS C C 2.488 3.229 -2.706 . . . 1.0 . . . . . . . . . . . . A . 2 LYS C . . . . . . . . . c19468_2md1 1 . 9 . 2434 . 1 1 2 LYS CA C 2.417 2.431 -1.408 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CA . . . . . . . . . c19468_2md1 1 . 9 . 2435 . 1 1 2 LYS CB C 3.315 3.077 -0.350 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CB . . . . . . . . . c19468_2md1 1 . 9 . 2436 . 1 1 2 LYS CD C 5.458 1.883 0.188 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CD . . . . . . . . . c19468_2md1 1 . 9 . 2437 . 1 1 2 LYS CE C 6.000 2.451 1.491 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CE . . . . . . . . . c19468_2md1 1 . 9 . 2438 . 1 1 2 LYS CG C 4.798 2.959 -0.657 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CG . . . . . . . . . c19468_2md1 1 . 9 . 2439 . 1 1 2 LYS H H 3.495 0.645 -1.049 . . . 1.0 . . . . . . . . . . . . A . 2 LYS H . . . . . . . . . c19468_2md1 1 . 9 . 2440 . 1 1 2 LYS HA H 1.398 2.435 -1.053 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HA . . . . . . . . . c19468_2md1 1 . 9 . 2441 . 1 1 2 LYS HB2 H 3.067 4.126 -0.276 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB2 . . . . . . . . . c19468_2md1 1 . 9 . 2442 . 1 1 2 LYS HB3 H 3.127 2.604 0.602 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB3 . . . . . . . . . c19468_2md1 1 . 9 . 2443 . 1 1 2 LYS HD2 H 4.729 1.119 0.417 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD2 . . . . . . . . . c19468_2md1 1 . 9 . 2444 . 1 1 2 LYS HD3 H 6.274 1.448 -0.371 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD3 . . . . . . . . . c19468_2md1 1 . 9 . 2445 . 1 1 2 LYS HE2 H 6.490 1.660 2.037 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE2 . . . . . . . . . c19468_2md1 1 . 9 . 2446 . 1 1 2 LYS HE3 H 6.715 3.226 1.260 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE3 . . . . . . . . . c19468_2md1 1 . 9 . 2447 . 1 1 2 LYS HG2 H 4.922 2.709 -1.700 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG2 . . . . . . . . . c19468_2md1 1 . 9 . 2448 . 1 1 2 LYS HG3 H 5.275 3.907 -0.453 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG3 . . . . . . . . . c19468_2md1 1 . 9 . 2449 . 1 1 2 LYS HZ1 H 5.304 3.332 3.253 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ1 . . . . . . . . . c19468_2md1 1 . 9 . 2450 . 1 1 2 LYS HZ2 H 4.179 2.313 2.506 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ2 . . . . . . . . . c19468_2md1 1 . 9 . 2451 . 1 1 2 LYS HZ3 H 4.490 3.846 1.862 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ3 . . . . . . . . . c19468_2md1 1 . 9 . 2452 . 1 1 2 LYS N N 2.811 1.045 -1.627 . . . 1.0 . . . . . . . . . . . . A . 2 LYS N . . . . . . . . . c19468_2md1 1 . 9 . 2453 . 1 1 2 LYS NZ N 4.918 3.026 2.338 . . . 1.0 . . . . . . . . . . . . A . 2 LYS NZ . . . . . . . . . c19468_2md1 1 . 9 . 2454 . 1 1 2 LYS O O 1.802 4.240 -2.864 . . . 1.0 . . . . . . . . . . . . A . 2 LYS O . . . . . . . . . c19468_2md1 1 . 9 . 2455 . 1 1 3 LEU C C 2.285 3.165 -5.827 . . . 1.0 . . . . . . . . . . . . A . 3 LEU C . . . . . . . . . c19468_2md1 1 . 9 . 2456 . 1 1 3 LEU CA C 3.480 3.438 -4.920 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CA . . . . . . . . . c19468_2md1 1 . 9 . 2457 . 1 1 3 LEU CB C 4.769 2.975 -5.602 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CB . . . . . . . . . c19468_2md1 1 . 9 . 2458 . 1 1 3 LEU CD1 C 5.238 5.280 -6.467 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CD1 . . . . . . . . . c19468_2md1 1 . 9 . 2459 . 1 1 3 LEU CD2 C 6.497 4.410 -4.489 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CD2 . . . . . . . . . c19468_2md1 1 . 9 . 2460 . 1 1 3 LEU CG C 5.839 4.046 -5.812 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CG . . . . . . . . . c19468_2md1 1 . 9 . 2461 . 1 1 3 LEU H H 3.840 1.958 -3.450 . . . 1.0 . . . . . . . . . . . . A . 3 LEU H . . . . . . . . . c19468_2md1 1 . 9 . 2462 . 1 1 3 LEU HA H 3.542 4.500 -4.735 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HA . . . . . . . . . c19468_2md1 1 . 9 . 2463 . 1 1 3 LEU HB2 H 5.199 2.191 -4.997 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HB2 . . . . . . . . . c19468_2md1 1 . 9 . 2464 . 1 1 3 LEU HB3 H 4.504 2.575 -6.570 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HB3 . . . . . . . . . c19468_2md1 1 . 9 . 2465 . 1 1 3 LEU HD11 H 5.646 5.396 -7.459 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD11 . . . . . . . . . c19468_2md1 1 . 9 . 2466 . 1 1 3 LEU HD12 H 5.474 6.153 -5.876 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD12 . . . . . . . . . c19468_2md1 1 . 9 . 2467 . 1 1 3 LEU HD13 H 4.165 5.168 -6.529 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD13 . . . . . . . . . c19468_2md1 1 . 9 . 2468 . 1 1 3 LEU HD21 H 7.289 5.122 -4.665 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD21 . . . . . . . . . c19468_2md1 1 . 9 . 2469 . 1 1 3 LEU HD22 H 6.906 3.519 -4.035 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD22 . . . . . . . . . c19468_2md1 1 . 9 . 2470 . 1 1 3 LEU HD23 H 5.761 4.845 -3.828 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD23 . . . . . . . . . c19468_2md1 1 . 9 . 2471 . 1 1 3 LEU HG H 6.603 3.658 -6.471 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HG . . . . . . . . . c19468_2md1 1 . 9 . 2472 . 1 1 3 LEU N N 3.321 2.768 -3.633 . . . 1.0 . . . . . . . . . . . . A . 3 LEU N . . . . . . . . . c19468_2md1 1 . 9 . 2473 . 1 1 3 LEU O O 1.818 4.054 -6.541 . . . 1.0 . . . . . . . . . . . . A . 3 LEU O . . . . . . . . . c19468_2md1 1 . 9 . 2474 . 1 1 4 LEU C C -0.663 1.907 -5.923 . . . 1.0 . . . . . . . . . . . . A . 4 LEU C . . . . . . . . . c19468_2md1 1 . 9 . 2475 . 1 1 4 LEU CA C 0.649 1.542 -6.612 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CA . . . . . . . . . c19468_2md1 1 . 9 . 2476 . 1 1 4 LEU CB C 0.689 0.040 -6.896 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CB . . . . . . . . . c19468_2md1 1 . 9 . 2477 . 1 1 4 LEU CD1 C 1.732 0.796 -9.046 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD1 . . . . . . . . . c19468_2md1 1 . 9 . 2478 . 1 1 4 LEU CD2 C 1.981 -1.581 -8.307 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD2 . . . . . . . . . c19468_2md1 1 . 9 . 2479 . 1 1 4 LEU CG C 1.067 -0.364 -8.322 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CG . . . . . . . . . c19468_2md1 1 . 9 . 2480 . 1 1 4 LEU H H 2.206 1.267 -5.206 . . . 1.0 . . . . . . . . . . . . A . 4 LEU H . . . . . . . . . c19468_2md1 1 . 9 . 2481 . 1 1 4 LEU HA H 0.712 2.079 -7.547 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HA . . . . . . . . . c19468_2md1 1 . 9 . 2482 . 1 1 4 LEU HB2 H 1.407 -0.405 -6.225 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB2 . . . . . . . . . c19468_2md1 1 . 9 . 2483 . 1 1 4 LEU HB3 H -0.293 -0.362 -6.687 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB3 . . . . . . . . . c19468_2md1 1 . 9 . 2484 . 1 1 4 LEU HD11 H 0.980 1.506 -9.354 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD11 . . . . . . . . . c19468_2md1 1 . 9 . 2485 . 1 1 4 LEU HD12 H 2.255 0.425 -9.915 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD12 . . . . . . . . . c19468_2md1 1 . 9 . 2486 . 1 1 4 LEU HD13 H 2.435 1.279 -8.383 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD13 . . . . . . . . . c19468_2md1 1 . 9 . 2487 . 1 1 4 LEU HD21 H 2.001 -2.003 -7.313 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD21 . . . . . . . . . c19468_2md1 1 . 9 . 2488 . 1 1 4 LEU HD22 H 2.979 -1.284 -8.593 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD22 . . . . . . . . . c19468_2md1 1 . 9 . 2489 . 1 1 4 LEU HD23 H 1.611 -2.317 -9.005 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD23 . . . . . . . . . c19468_2md1 1 . 9 . 2490 . 1 1 4 LEU HG H 0.169 -0.626 -8.865 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HG . . . . . . . . . c19468_2md1 1 . 9 . 2491 . 1 1 4 LEU N N 1.792 1.932 -5.794 . . . 1.0 . . . . . . . . . . . . A . 4 LEU N . . . . . . . . . c19468_2md1 1 . 9 . 2492 . 1 1 4 LEU O O -1.669 2.169 -6.582 . . . 1.0 . . . . . . . . . . . . A . 4 LEU O . . . . . . . . . c19468_2md1 1 . 9 . 2493 . 1 1 5 SER C C -2.087 3.758 -3.830 . . . 1.0 . . . . . . . . . . . . A . 5 SER C . . . . . . . . . c19468_2md1 1 . 9 . 2494 . 1 1 5 SER CA C -1.831 2.254 -3.816 . . . 1.0 . . . . . . . . . . . . A . 5 SER CA . . . . . . . . . c19468_2md1 1 . 9 . 2495 . 1 1 5 SER CB C -1.675 1.765 -2.375 . . . 1.0 . . . . . . . . . . . . A . 5 SER CB . . . . . . . . . c19468_2md1 1 . 9 . 2496 . 1 1 5 SER H H 0.190 1.705 -4.126 . . . 1.0 . . . . . . . . . . . . A . 5 SER H . . . . . . . . . c19468_2md1 1 . 9 . 2497 . 1 1 5 SER HA H -2.674 1.753 -4.269 . . . 1.0 . . . . . . . . . . . . A . 5 SER HA . . . . . . . . . c19468_2md1 1 . 9 . 2498 . 1 1 5 SER HB2 H -0.680 1.995 -2.025 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB2 . . . . . . . . . c19468_2md1 1 . 9 . 2499 . 1 1 5 SER HB3 H -2.401 2.262 -1.749 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB3 . . . . . . . . . c19468_2md1 1 . 9 . 2500 . 1 1 5 SER HG H -1.108 -0.046 -1.888 . . . 1.0 . . . . . . . . . . . . A . 5 SER HG . . . . . . . . . c19468_2md1 1 . 9 . 2501 . 1 1 5 SER N N -0.643 1.923 -4.594 . . . 1.0 . . . . . . . . . . . . A . 5 SER N . . . . . . . . . c19468_2md1 1 . 9 . 2502 . 1 1 5 SER O O -3.194 4.214 -3.540 . . . 1.0 . . . . . . . . . . . . A . 5 SER O . . . . . . . . . c19468_2md1 1 . 9 . 2503 . 1 1 5 SER OG O -1.878 0.365 -2.287 . . . 1.0 . . . . . . . . . . . . A . 5 SER OG . . . . . . . . . c19468_2md1 1 . 9 . 2504 . 1 1 6 LYS C C -1.350 6.457 -5.658 . . . 1.0 . . . . . . . . . . . . A . 6 LYS C . . . . . . . . . c19468_2md1 1 . 9 . 2505 . 1 1 6 LYS CA C -1.168 5.977 -4.222 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CA . . . . . . . . . c19468_2md1 1 . 9 . 2506 . 1 1 6 LYS CB C 0.076 6.627 -3.610 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CB . . . . . . . . . c19468_2md1 1 . 9 . 2507 . 1 1 6 LYS CD C 1.402 7.763 -5.416 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CD . . . . . . . . . c19468_2md1 1 . 9 . 2508 . 1 1 6 LYS CE C 2.805 8.349 -5.414 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CE . . . . . . . . . c19468_2md1 1 . 9 . 2509 . 1 1 6 LYS CG C 1.302 6.553 -4.502 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CG . . . . . . . . . c19468_2md1 1 . 9 . 2510 . 1 1 6 LYS H H -0.199 4.102 -4.389 . . . 1.0 . . . . . . . . . . . . A . 6 LYS H . . . . . . . . . c19468_2md1 1 . 9 . 2511 . 1 1 6 LYS HA H -2.034 6.265 -3.646 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HA . . . . . . . . . c19468_2md1 1 . 9 . 2512 . 1 1 6 LYS HB2 H -0.137 7.668 -3.412 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB2 . . . . . . . . . c19468_2md1 1 . 9 . 2513 . 1 1 6 LYS HB3 H 0.304 6.132 -2.677 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB3 . . . . . . . . . c19468_2md1 1 . 9 . 2514 . 1 1 6 LYS HD2 H 1.150 7.465 -6.423 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD2 . . . . . . . . . c19468_2md1 1 . 9 . 2515 . 1 1 6 LYS HD3 H 0.705 8.517 -5.077 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD3 . . . . . . . . . c19468_2md1 1 . 9 . 2516 . 1 1 6 LYS HE2 H 3.512 7.557 -5.217 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE2 . . . . . . . . . c19468_2md1 1 . 9 . 2517 . 1 1 6 LYS HE3 H 3.004 8.775 -6.386 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE3 . . . . . . . . . c19468_2md1 1 . 9 . 2518 . 1 1 6 LYS HG2 H 2.186 6.510 -3.882 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG2 . . . . . . . . . c19468_2md1 1 . 9 . 2519 . 1 1 6 LYS HG3 H 1.242 5.660 -5.108 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG3 . . . . . . . . . c19468_2md1 1 . 9 . 2520 . 1 1 6 LYS HZ1 H 3.425 10.244 -4.790 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ1 . . . . . . . . . c19468_2md1 1 . 9 . 2521 . 1 1 6 LYS HZ2 H 3.545 9.055 -3.593 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ2 . . . . . . . . . c19468_2md1 1 . 9 . 2522 . 1 1 6 LYS HZ3 H 2.032 9.687 -4.008 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ3 . . . . . . . . . c19468_2md1 1 . 9 . 2523 . 1 1 6 LYS N N -1.056 4.525 -4.168 . . . 1.0 . . . . . . . . . . . . A . 6 LYS N . . . . . . . . . c19468_2md1 1 . 9 . 2524 . 1 1 6 LYS NZ N 2.963 9.408 -4.379 . . . 1.0 . . . . . . . . . . . . A . 6 LYS NZ . . . . . . . . . c19468_2md1 1 . 9 . 2525 . 1 1 6 LYS O O -1.848 7.557 -5.897 . . . 1.0 . . . . . . . . . . . . A . 6 LYS O . . . . . . . . . c19468_2md1 1 . 9 . 2526 . 1 1 7 ALA C C -2.288 5.292 -8.645 . . . 1.0 . . . . . . . . . . . . A . 7 ALA C . . . . . . . . . c19468_2md1 1 . 9 . 2527 . 1 1 7 ALA CA C -1.067 5.962 -8.024 . . . 1.0 . . . . . . . . . . . . A . 7 ALA CA . . . . . . . . . c19468_2md1 1 . 9 . 2528 . 1 1 7 ALA CB C 0.195 5.561 -8.773 . . . 1.0 . . . . . . . . . . . . A . 7 ALA CB . . . . . . . . . c19468_2md1 1 . 9 . 2529 . 1 1 7 ALA H H -0.556 4.761 -6.358 . . . 1.0 . . . . . . . . . . . . A . 7 ALA H . . . . . . . . . c19468_2md1 1 . 9 . 2530 . 1 1 7 ALA HA H -1.178 7.034 -8.102 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HA . . . . . . . . . c19468_2md1 1 . 9 . 2531 . 1 1 7 ALA HB1 H 0.139 5.924 -9.789 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB1 . . . . . . . . . c19468_2md1 1 . 9 . 2532 . 1 1 7 ALA HB2 H 1.056 5.991 -8.283 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB2 . . . . . . . . . c19468_2md1 1 . 9 . 2533 . 1 1 7 ALA HB3 H 0.284 4.485 -8.779 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB3 . . . . . . . . . c19468_2md1 1 . 9 . 2534 . 1 1 7 ALA N N -0.945 5.624 -6.611 . . . 1.0 . . . . . . . . . . . . A . 7 ALA N . . . . . . . . . c19468_2md1 1 . 9 . 2535 . 1 1 7 ALA O O -2.698 5.635 -9.753 . . . 1.0 . . . . . . . . . . . . A . 7 ALA O . . . . . . . . . c19468_2md1 1 . 9 . 2536 . 1 1 8 GLN C C -5.290 4.052 -7.651 . . . 1.0 . . . . . . . . . . . . A . 8 GLN C . . . . . . . . . c19468_2md1 1 . 9 . 2537 . 1 1 8 GLN CA C -4.038 3.617 -8.405 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CA . . . . . . . . . c19468_2md1 1 . 9 . 2538 . 1 1 8 GLN CB C -3.835 2.108 -8.255 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CB . . . . . . . . . c19468_2md1 1 . 9 . 2539 . 1 1 8 GLN CD C -4.454 -0.061 -9.394 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CD . . . . . . . . . c19468_2md1 1 . 9 . 2540 . 1 1 8 GLN CG C -4.944 1.280 -8.884 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CG . . . . . . . . . c19468_2md1 1 . 9 . 2541 . 1 1 8 GLN H H -2.490 4.107 -7.047 . . . 1.0 . . . . . . . . . . . . A . 8 GLN H . . . . . . . . . c19468_2md1 1 . 9 . 2542 . 1 1 8 GLN HA H -4.163 3.852 -9.451 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HA . . . . . . . . . c19468_2md1 1 . 9 . 2543 . 1 1 8 GLN HB2 H -2.901 1.834 -8.721 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB2 . . . . . . . . . c19468_2md1 1 . 9 . 2544 . 1 1 8 GLN HB3 H -3.788 1.866 -7.203 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB3 . . . . . . . . . c19468_2md1 1 . 9 . 2545 . 1 1 8 GLN HE21 H -4.356 -0.759 -7.535 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE21 . . . . . . . . . c19468_2md1 1 . 9 . 2546 . 1 1 8 GLN HE22 H -3.890 -1.865 -8.778 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE22 . . . . . . . . . c19468_2md1 1 . 9 . 2547 . 1 1 8 GLN HG2 H -5.712 1.107 -8.144 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG2 . . . . . . . . . c19468_2md1 1 . 9 . 2548 . 1 1 8 GLN HG3 H -5.362 1.833 -9.712 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG3 . . . . . . . . . c19468_2md1 1 . 9 . 2549 . 1 1 8 GLN N N -2.864 4.335 -7.923 . . . 1.0 . . . . . . . . . . . . A . 8 GLN N . . . . . . . . . c19468_2md1 1 . 9 . 2550 . 1 1 8 GLN NE2 N -4.208 -0.989 -8.476 . . . 1.0 . . . . . . . . . . . . A . 8 GLN NE2 . . . . . . . . . c19468_2md1 1 . 9 . 2551 . 1 1 8 GLN O O -6.403 3.945 -8.165 . . . 1.0 . . . . . . . . . . . . A . 8 GLN O . . . . . . . . . c19468_2md1 1 . 9 . 2552 . 1 1 8 GLN OE1 O -4.298 -0.261 -10.599 . . . 1.0 . . . . . . . . . . . . A . 8 GLN OE1 . . . . . . . . . c19468_2md1 1 . 9 . 2553 . 1 1 9 GLU C C -7.036 6.051 -6.333 . . . 1.0 . . . . . . . . . . . . A . 9 GLU C . . . . . . . . . c19468_2md1 1 . 9 . 2554 . 1 1 9 GLU CA C -6.215 4.991 -5.605 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CA . . . . . . . . . c19468_2md1 1 . 9 . 2555 . 1 1 9 GLU CB C -5.702 5.550 -4.276 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CB . . . . . . . . . c19468_2md1 1 . 9 . 2556 . 1 1 9 GLU CD C -4.258 7.281 -3.136 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CD . . . . . . . . . c19468_2md1 1 . 9 . 2557 . 1 1 9 GLU CG C -4.587 6.570 -4.434 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CG . . . . . . . . . c19468_2md1 1 . 9 . 2558 . 1 1 9 GLU H H -4.188 4.601 -6.075 . . . 1.0 . . . . . . . . . . . . A . 9 GLU H . . . . . . . . . c19468_2md1 1 . 9 . 2559 . 1 1 9 GLU HA H -6.845 4.138 -5.407 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HA . . . . . . . . . c19468_2md1 1 . 9 . 2560 . 1 1 9 GLU HB2 H -6.523 6.022 -3.757 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HB2 . . . . . . . . . c19468_2md1 1 . 9 . 2561 . 1 1 9 GLU HB3 H -5.331 4.733 -3.675 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HB3 . . . . . . . . . c19468_2md1 1 . 9 . 2562 . 1 1 9 GLU HG2 H -3.700 6.063 -4.784 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HG2 . . . . . . . . . c19468_2md1 1 . 9 . 2563 . 1 1 9 GLU HG3 H -4.890 7.306 -5.164 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HG3 . . . . . . . . . c19468_2md1 1 . 9 . 2564 . 1 1 9 GLU N N -5.099 4.541 -6.430 . . . 1.0 . . . . . . . . . . . . A . 9 GLU N . . . . . . . . . c19468_2md1 1 . 9 . 2565 . 1 1 9 GLU O O -8.211 6.259 -6.029 . . . 1.0 . . . . . . . . . . . . A . 9 GLU O . . . . . . . . . c19468_2md1 1 . 9 . 2566 . 1 1 9 GLU OE1 O -4.311 6.630 -2.072 . . . 1.0 . . . . . . . . . . . . A . 9 GLU OE1 . . . . . . . . . c19468_2md1 1 . 9 . 2567 . 1 1 9 GLU OE2 O -3.947 8.490 -3.185 . . . 1.0 . . . . . . . . . . . . A . 9 GLU OE2 . . . . . . . . . c19468_2md1 1 . 9 . 2568 . 1 1 10 LYS C C -7.852 7.155 -9.236 . . . 1.0 . . . . . . . . . . . . A . 10 LYS C . . . . . . . . . c19468_2md1 1 . 9 . 2569 . 1 1 10 LYS CA C -7.080 7.759 -8.067 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CA . . . . . . . . . c19468_2md1 1 . 9 . 2570 . 1 1 10 LYS CB C -6.061 8.776 -8.586 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CB . . . . . . . . . c19468_2md1 1 . 9 . 2571 . 1 1 10 LYS CD C -4.833 8.818 -10.777 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CD . . . . . . . . . c19468_2md1 1 . 9 . 2572 . 1 1 10 LYS CE C -3.384 8.898 -11.235 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CE . . . . . . . . . c19468_2md1 1 . 9 . 2573 . 1 1 10 LYS CG C -4.950 8.154 -9.415 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CG . . . . . . . . . c19468_2md1 1 . 9 . 2574 . 1 1 10 LYS H H -5.472 6.509 -7.490 . . . 1.0 . . . . . . . . . . . . A . 10 LYS H . . . . . . . . . c19468_2md1 1 . 9 . 2575 . 1 1 10 LYS HA H -7.777 8.261 -7.413 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HA . . . . . . . . . c19468_2md1 1 . 9 . 2576 . 1 1 10 LYS HB2 H -6.575 9.502 -9.198 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB2 . . . . . . . . . c19468_2md1 1 . 9 . 2577 . 1 1 10 LYS HB3 H -5.613 9.281 -7.743 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB3 . . . . . . . . . c19468_2md1 1 . 9 . 2578 . 1 1 10 LYS HD2 H -5.395 8.244 -11.498 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD2 . . . . . . . . . c19468_2md1 1 . 9 . 2579 . 1 1 10 LYS HD3 H -5.237 9.819 -10.716 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD3 . . . . . . . . . c19468_2md1 1 . 9 . 2580 . 1 1 10 LYS HE2 H -2.962 7.905 -11.223 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE2 . . . . . . . . . c19468_2md1 1 . 9 . 2581 . 1 1 10 LYS HE3 H -3.360 9.287 -12.242 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE3 . . . . . . . . . c19468_2md1 1 . 9 . 2582 . 1 1 10 LYS HG2 H -4.014 8.268 -8.889 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG2 . . . . . . . . . c19468_2md1 1 . 9 . 2583 . 1 1 10 LYS HG3 H -5.162 7.104 -9.554 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG3 . . . . . . . . . c19468_2md1 1 . 9 . 2584 . 1 1 10 LYS HZ1 H -2.121 9.220 -9.603 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ1 . . . . . . . . . c19468_2md1 1 . 9 . 2585 . 1 1 10 LYS HZ2 H -3.178 10.504 -9.915 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ2 . . . . . . . . . c19468_2md1 1 . 9 . 2586 . 1 1 10 LYS HZ3 H -1.831 10.256 -10.908 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ3 . . . . . . . . . c19468_2md1 1 . 9 . 2587 . 1 1 10 LYS N N -6.410 6.720 -7.294 . . . 1.0 . . . . . . . . . . . . A . 10 LYS N . . . . . . . . . c19468_2md1 1 . 9 . 2588 . 1 1 10 LYS NZ N -2.571 9.781 -10.353 . . . 1.0 . . . . . . . . . . . . A . 10 LYS NZ . . . . . . . . . c19468_2md1 1 . 9 . 2589 . 1 1 10 LYS O O -8.242 7.860 -10.166 . . . 1.0 . . . . . . . . . . . . A . 10 LYS O . . . . . . . . . c19468_2md1 1 . 9 . 2590 . 1 1 11 PHE C C -10.043 4.466 -9.678 . . . 1.0 . . . . . . . . . . . . A . 11 PHE C . . . . . . . . . c19468_2md1 1 . 9 . 2591 . 1 1 11 PHE CA C -8.797 5.146 -10.235 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CA . . . . . . . . . c19468_2md1 1 . 9 . 2592 . 1 1 11 PHE CB C -7.892 4.109 -10.905 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CB . . . . . . . . . c19468_2md1 1 . 9 . 2593 . 1 1 11 PHE CD1 C -7.023 5.803 -12.540 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CD1 . . . . . . . . . c19468_2md1 1 . 9 . 2594 . 1 1 11 PHE CD2 C -5.498 4.201 -11.650 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CD2 . . . . . . . . . c19468_2md1 1 . 9 . 2595 . 1 1 11 PHE CE1 C -6.003 6.362 -13.287 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CE1 . . . . . . . . . c19468_2md1 1 . 9 . 2596 . 1 1 11 PHE CE2 C -4.474 4.756 -12.394 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CE2 . . . . . . . . . c19468_2md1 1 . 9 . 2597 . 1 1 11 PHE CG C -6.782 4.716 -11.715 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CG . . . . . . . . . c19468_2md1 1 . 9 . 2598 . 1 1 11 PHE CZ C -4.727 5.839 -13.212 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CZ . . . . . . . . . c19468_2md1 1 . 9 . 2599 . 1 1 11 PHE H H -7.735 5.336 -8.413 . . . 1.0 . . . . . . . . . . . . A . 11 PHE H . . . . . . . . . c19468_2md1 1 . 9 . 2600 . 1 1 11 PHE HA H -9.098 5.877 -10.970 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HA . . . . . . . . . c19468_2md1 1 . 9 . 2601 . 1 1 11 PHE HB2 H -7.446 3.487 -10.145 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HB2 . . . . . . . . . c19468_2md1 1 . 9 . 2602 . 1 1 11 PHE HB3 H -8.488 3.495 -11.564 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HB3 . . . . . . . . . c19468_2md1 1 . 9 . 2603 . 1 1 11 PHE HD1 H -8.020 6.213 -12.599 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HD1 . . . . . . . . . c19468_2md1 1 . 9 . 2604 . 1 1 11 PHE HD2 H -5.299 3.353 -11.009 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HD2 . . . . . . . . . c19468_2md1 1 . 9 . 2605 . 1 1 11 PHE HE1 H -6.204 7.209 -13.926 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HE1 . . . . . . . . . c19468_2md1 1 . 9 . 2606 . 1 1 11 PHE HE2 H -3.477 4.345 -12.333 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HE2 . . . . . . . . . c19468_2md1 1 . 9 . 2607 . 1 1 11 PHE HZ H -3.929 6.275 -13.795 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HZ . . . . . . . . . c19468_2md1 1 . 9 . 2608 . 1 1 11 PHE N N -8.071 5.845 -9.181 . . . 1.0 . . . . . . . . . . . . A . 11 PHE N . . . . . . . . . c19468_2md1 1 . 9 . 2609 . 1 1 11 PHE O O -10.886 3.977 -10.429 . . . 1.0 . . . . . . . . . . . . A . 11 PHE O . . . . . . . . . c19468_2md1 1 . 9 . 2610 . 1 1 12 GLY C C -12.455 4.778 -7.534 . . . 1.0 . . . . . . . . . . . . A . 12 GLY C . . . . . . . . . c19468_2md1 1 . 9 . 2611 . 1 1 12 GLY CA C -11.299 3.815 -7.716 . . . 1.0 . . . . . . . . . . . . A . 12 GLY CA . . . . . . . . . c19468_2md1 1 . 9 . 2612 . 1 1 12 GLY H H -9.450 4.844 -7.803 . . . 1.0 . . . . . . . . . . . . A . 12 GLY H . . . . . . . . . c19468_2md1 1 . 9 . 2613 . 1 1 12 GLY HA2 H -11.627 2.985 -8.324 . . . 1.0 . . . . . . . . . . . . A . 12 GLY HA2 . . . . . . . . . c19468_2md1 1 . 9 . 2614 . 1 1 12 GLY HA3 H -11.000 3.443 -6.748 . . . 1.0 . . . . . . . . . . . . A . 12 GLY HA3 . . . . . . . . . c19468_2md1 1 . 9 . 2615 . 1 1 12 GLY N N -10.153 4.438 -8.353 . . . 1.0 . . . . . . . . . . . . A . 12 GLY N . . . . . . . . . c19468_2md1 1 . 9 . 2616 . 1 1 12 GLY O O -12.927 4.989 -6.416 . . . 1.0 . . . . . . . . . . . . A . 12 GLY O . . . . . . . . . c19468_2md1 1 . 9 . 2617 . 1 1 13 LYS C C -15.342 5.592 -8.334 . . . 1.0 . . . . . . . . . . . . A . 13 LYS C . . . . . . . . . c19468_2md1 1 . 9 . 2618 . 1 1 13 LYS CA C -14.022 6.311 -8.592 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CA . . . . . . . . . c19468_2md1 1 . 9 . 2619 . 1 1 13 LYS CB C -14.103 7.092 -9.906 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CB . . . . . . . . . c19468_2md1 1 . 9 . 2620 . 1 1 13 LYS CD C -16.368 6.990 -10.987 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CD . . . . . . . . . c19468_2md1 1 . 9 . 2621 . 1 1 13 LYS CE C -17.806 7.082 -10.498 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CE . . . . . . . . . c19468_2md1 1 . 9 . 2622 . 1 1 13 LYS CG C -15.430 7.803 -10.110 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CG . . . . . . . . . c19468_2md1 1 . 9 . 2623 . 1 1 13 LYS H H -12.497 5.155 -9.497 . . . 1.0 . . . . . . . . . . . . A . 13 LYS H . . . . . . . . . c19468_2md1 1 . 9 . 2624 . 1 1 13 LYS HA H -13.838 7.002 -7.783 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HA . . . . . . . . . c19468_2md1 1 . 9 . 2625 . 1 1 13 LYS HB2 H -13.316 7.832 -9.919 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB2 . . . . . . . . . c19468_2md1 1 . 9 . 2626 . 1 1 13 LYS HB3 H -13.955 6.407 -10.728 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB3 . . . . . . . . . c19468_2md1 1 . 9 . 2627 . 1 1 13 LYS HD2 H -16.319 7.367 -11.998 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD2 . . . . . . . . . c19468_2md1 1 . 9 . 2628 . 1 1 13 LYS HD3 H -16.056 5.956 -10.970 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD3 . . . . . . . . . c19468_2md1 1 . 9 . 2629 . 1 1 13 LYS HE2 H -18.175 6.084 -10.318 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE2 . . . . . . . . . c19468_2md1 1 . 9 . 2630 . 1 1 13 LYS HE3 H -17.824 7.644 -9.577 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE3 . . . . . . . . . c19468_2md1 1 . 9 . 2631 . 1 1 13 LYS HG2 H -15.897 7.958 -9.149 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG2 . . . . . . . . . c19468_2md1 1 . 9 . 2632 . 1 1 13 LYS HG3 H -15.247 8.758 -10.582 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG3 . . . . . . . . . c19468_2md1 1 . 9 . 2633 . 1 1 13 LYS HZ1 H -19.190 7.043 -12.063 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ1 . . . . . . . . . c19468_2md1 1 . 9 . 2634 . 1 1 13 LYS HZ2 H -18.120 8.352 -12.127 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ2 . . . . . . . . . c19468_2md1 1 . 9 . 2635 . 1 1 13 LYS HZ3 H -19.387 8.349 -11.006 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ3 . . . . . . . . . c19468_2md1 1 . 9 . 2636 . 1 1 13 LYS N N -12.914 5.365 -8.634 . . . 1.0 . . . . . . . . . . . . A . 13 LYS N . . . . . . . . . c19468_2md1 1 . 9 . 2637 . 1 1 13 LYS NZ N -18.688 7.753 -11.493 . . . 1.0 . . . . . . . . . . . . A . 13 LYS NZ . . . . . . . . . c19468_2md1 1 . 9 . 2638 . 1 1 13 LYS O O -16.283 6.175 -7.798 . . . 1.0 . . . . . . . . . . . . A . 13 LYS O . . . . . . . . . c19468_2md1 1 . 9 . 2639 . 1 1 14 ASN C C -16.867 3.272 -7.045 . . . 1.0 . . . . . . . . . . . . A . 14 ASN C . . . . . . . . . c19468_2md1 1 . 9 . 2640 . 1 1 14 ASN CA C -16.609 3.522 -8.528 . . . 1.0 . . . . . . . . . . . . A . 14 ASN CA . . . . . . . . . c19468_2md1 1 . 9 . 2641 . 1 1 14 ASN CB C -16.484 2.188 -9.267 . . . 1.0 . . . . . . . . . . . . A . 14 ASN CB . . . . . . . . . c19468_2md1 1 . 9 . 2642 . 1 1 14 ASN CG C -17.740 1.347 -9.158 . . . 1.0 . . . . . . . . . . . . A . 14 ASN CG . . . . . . . . . c19468_2md1 1 . 9 . 2643 . 1 1 14 ASN H H -14.620 3.911 -9.141 . . . 1.0 . . . . . . . . . . . . A . 14 ASN H . . . . . . . . . c19468_2md1 1 . 9 . 2644 . 1 1 14 ASN HA H -17.441 4.074 -8.938 . . . 1.0 . . . . . . . . . . . . A . 14 ASN HA . . . . . . . . . c19468_2md1 1 . 9 . 2645 . 1 1 14 ASN HB2 H -16.292 2.380 -10.313 . . . 1.0 . . . . . . . . . . . . A . 14 ASN HB2 . . . . . . . . . c19468_2md1 1 . 9 . 2646 . 1 1 14 ASN HB3 H -15.660 1.628 -8.851 . . . 1.0 . . . . . . . . . . . . A . 14 ASN HB3 . . . . . . . . . c19468_2md1 1 . 9 . 2647 . 1 1 14 ASN HD21 H -18.724 2.619 -10.327 . . . 1.0 . . . . . . . . . . . . A . 14 ASN HD21 . . . . . . . . . c19468_2md1 1 . 9 . 2648 . 1 1 14 ASN HD22 H -19.633 1.263 -9.761 . . . 1.0 . . . . . . . . . . . . A . 14 ASN HD22 . . . . . . . . . c19468_2md1 1 . 9 . 2649 . 1 1 14 ASN N N -15.404 4.321 -8.719 . . . 1.0 . . . . . . . . . . . . A . 14 ASN N . . . . . . . . . c19468_2md1 1 . 9 . 2650 . 1 1 14 ASN ND2 N -18.807 1.787 -9.815 . . . 1.0 . . . . . . . . . . . . A . 14 ASN ND2 . . . . . . . . . c19468_2md1 1 . 9 . 2651 . 1 1 14 ASN O O -17.980 2.931 -6.646 . . . 1.0 . . . . . . . . . . . . A . 14 ASN O . . . . . . . . . c19468_2md1 1 . 9 . 2652 . 1 1 14 ASN OD1 O -17.752 0.312 -8.490 . . . 1.0 . . . . . . . . . . . . A . 14 ASN OD1 . . . . . . . . . c19468_2md1 1 . 9 . 2653 . 1 1 15 LYS C C -15.666 4.538 -4.037 . . . 1.0 . . . . . . . . . . . . A . 15 LYS C . . . . . . . . . c19468_2md1 1 . 9 . 2654 . 1 1 15 LYS CA C -15.943 3.242 -4.793 . . . 1.0 . . . . . . . . . . . . A . 15 LYS CA . . . . . . . . . c19468_2md1 1 . 9 . 2655 . 1 1 15 LYS CB C -14.971 2.153 -4.334 . . . 1.0 . . . . . . . . . . . . A . 15 LYS CB . . . . . . . . . c19468_2md1 1 . 9 . 2656 . 1 1 15 LYS CD C -14.854 0.137 -5.828 . . . 1.0 . . . . . . . . . . . . A . 15 LYS CD . . . . . . . . . c19468_2md1 1 . 9 . 2657 . 1 1 15 LYS CE C -13.374 -0.150 -5.628 . . . 1.0 . . . . . . . . . . . . A . 15 LYS CE . . . . . . . . . c19468_2md1 1 . 9 . 2658 . 1 1 15 LYS CG C -15.477 0.743 -4.581 . . . 1.0 . . . . . . . . . . . . A . 15 LYS CG . . . . . . . . . c19468_2md1 1 . 9 . 2659 . 1 1 15 LYS H H -14.967 3.719 -6.610 . . . 1.0 . . . . . . . . . . . . A . 15 LYS H . . . . . . . . . c19468_2md1 1 . 9 . 2660 . 1 1 15 LYS HA H -16.953 2.925 -4.581 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HA . . . . . . . . . c19468_2md1 1 . 9 . 2661 . 1 1 15 LYS HB2 H -14.036 2.276 -4.861 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HB2 . . . . . . . . . c19468_2md1 1 . 9 . 2662 . 1 1 15 LYS HB3 H -14.795 2.269 -3.274 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HB3 . . . . . . . . . c19468_2md1 1 . 9 . 2663 . 1 1 15 LYS HD2 H -15.360 -0.788 -6.061 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HD2 . . . . . . . . . c19468_2md1 1 . 9 . 2664 . 1 1 15 LYS HD3 H -14.969 0.830 -6.650 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HD3 . . . . . . . . . c19468_2md1 1 . 9 . 2665 . 1 1 15 LYS HE2 H -12.818 0.759 -5.796 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HE2 . . . . . . . . . c19468_2md1 1 . 9 . 2666 . 1 1 15 LYS HE3 H -13.220 -0.484 -4.613 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HE3 . . . . . . . . . c19468_2md1 1 . 9 . 2667 . 1 1 15 LYS HG2 H -15.227 0.125 -3.731 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HG2 . . . . . . . . . c19468_2md1 1 . 9 . 2668 . 1 1 15 LYS HG3 H -16.551 0.771 -4.704 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HG3 . . . . . . . . . c19468_2md1 1 . 9 . 2669 . 1 1 15 LYS HZ1 H -11.852 -1.114 -6.686 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HZ1 . . . . . . . . . c19468_2md1 1 . 9 . 2670 . 1 1 15 LYS HZ2 H -13.340 -1.094 -7.491 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HZ2 . . . . . . . . . c19468_2md1 1 . 9 . 2671 . 1 1 15 LYS HZ3 H -13.099 -2.144 -6.188 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HZ3 . . . . . . . . . c19468_2md1 1 . 9 . 2672 . 1 1 15 LYS N N -15.830 3.446 -6.232 . . . 1.0 . . . . . . . . . . . . A . 15 LYS N . . . . . . . . . c19468_2md1 1 . 9 . 2673 . 1 1 15 LYS NZ N -12.881 -1.199 -6.564 . . . 1.0 . . . . . . . . . . . . A . 15 LYS NZ . . . . . . . . . c19468_2md1 1 . 9 . 2674 . 1 1 15 LYS O O -14.829 4.574 -3.134 . . . 1.0 . . . . . . . . . . . . A . 15 LYS O . . . . . . . . . c19468_2md1 1 . 9 . 2675 . 1 1 16 SER C C -16.369 6.781 -2.255 . . . 1.0 . . . . . . . . . . . . A . 16 SER C . . . . . . . . . c19468_2md1 1 . 9 . 2676 . 1 1 16 SER CA C -16.203 6.896 -3.768 . . . 1.0 . . . . . . . . . . . . A . 16 SER CA . . . . . . . . . c19468_2md1 1 . 9 . 2677 . 1 1 16 SER CB C -17.210 7.903 -4.327 . . . 1.0 . . . . . . . . . . . . A . 16 SER CB . . . . . . . . . c19468_2md1 1 . 9 . 2678 . 1 1 16 SER H H -17.026 5.506 -5.136 . . . 1.0 . . . . . . . . . . . . A . 16 SER H . . . . . . . . . c19468_2md1 1 . 9 . 2679 . 1 1 16 SER HA H -15.203 7.243 -3.983 . . . 1.0 . . . . . . . . . . . . A . 16 SER HA . . . . . . . . . c19468_2md1 1 . 9 . 2680 . 1 1 16 SER HB2 H -17.203 7.855 -5.405 . . . 1.0 . . . . . . . . . . . . A . 16 SER HB2 . . . . . . . . . c19468_2md1 1 . 9 . 2681 . 1 1 16 SER HB3 H -18.198 7.660 -3.962 . . . 1.0 . . . . . . . . . . . . A . 16 SER HB3 . . . . . . . . . c19468_2md1 1 . 9 . 2682 . 1 1 16 SER HG H -17.037 9.826 -4.659 . . . 1.0 . . . . . . . . . . . . A . 16 SER HG . . . . . . . . . c19468_2md1 1 . 9 . 2683 . 1 1 16 SER N N -16.374 5.599 -4.410 . . . 1.0 . . . . . . . . . . . . A . 16 SER N . . . . . . . . . c19468_2md1 1 . 9 . 2684 . 1 1 16 SER O O -15.468 7.130 -1.493 . . . 1.0 . . . . . . . . . . . . A . 16 SER O . . . . . . . . . c19468_2md1 1 . 9 . 2685 . 1 1 16 SER OG O -16.887 9.224 -3.927 . . . 1.0 . . . . . . . . . . . . A . 16 SER OG . . . . . . . . . c19468_2md1 1 . 9 . 2686 . 1 1 17 ARG C C -17.531 4.696 0.043 . . . 1.0 . . . . . . . . . . . . A . 17 ARG C . . . . . . . . . c19468_2md1 1 . 9 . 2687 . 1 1 17 ARG CA C -17.813 6.126 -0.409 . . . 1.0 . . . . . . . . . . . . A . 17 ARG CA . . . . . . . . . c19468_2md1 1 . 9 . 2688 . 1 1 17 ARG CB C -19.270 6.487 -0.116 . . . 1.0 . . . . . . . . . . . . A . 17 ARG CB . . . . . . . . . c19468_2md1 1 . 9 . 2689 . 1 1 17 ARG CD C -20.899 7.768 -1.538 . . . 1.0 . . . . . . . . . . . . A . 17 ARG CD . . . . . . . . . c19468_2md1 1 . 9 . 2690 . 1 1 17 ARG CG C -19.676 7.856 -0.640 . . . 1.0 . . . . . . . . . . . . A . 17 ARG CG . . . . . . . . . c19468_2md1 1 . 9 . 2691 . 1 1 17 ARG CZ C -23.344 7.779 -1.278 . . . 1.0 . . . . . . . . . . . . A . 17 ARG CZ . . . . . . . . . c19468_2md1 1 . 9 . 2692 . 1 1 17 ARG H H -18.206 6.026 -2.486 . . . 1.0 . . . . . . . . . . . . A . 17 ARG H . . . . . . . . . c19468_2md1 1 . 9 . 2693 . 1 1 17 ARG HA H -17.168 6.798 0.137 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HA . . . . . . . . . c19468_2md1 1 . 9 . 2694 . 1 1 17 ARG HB2 H -19.911 5.748 -0.572 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HB2 . . . . . . . . . c19468_2md1 1 . 9 . 2695 . 1 1 17 ARG HB3 H -19.423 6.475 0.952 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HB3 . . . . . . . . . c19468_2md1 1 . 9 . 2696 . 1 1 17 ARG HD2 H -20.787 8.476 -2.346 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HD2 . . . . . . . . . c19468_2md1 1 . 9 . 2697 . 1 1 17 ARG HD3 H -20.961 6.768 -1.942 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HD3 . . . . . . . . . c19468_2md1 1 . 9 . 2698 . 1 1 17 ARG HE H -22.052 8.501 0.059 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HE . . . . . . . . . c19468_2md1 1 . 9 . 2699 . 1 1 17 ARG HG2 H -19.903 8.498 0.198 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HG2 . . . . . . . . . c19468_2md1 1 . 9 . 2700 . 1 1 17 ARG HG3 H -18.854 8.273 -1.203 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HG3 . . . . . . . . . c19468_2md1 1 . 9 . 2701 . 1 1 17 ARG HH11 H -22.676 6.961 -3.000 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HH11 . . . . . . . . . c19468_2md1 1 . 9 . 2702 . 1 1 17 ARG HH12 H -24.397 6.974 -2.804 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HH12 . . . . . . . . . c19468_2md1 1 . 9 . 2703 . 1 1 17 ARG HH21 H -24.317 8.525 0.329 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HH21 . . . . . . . . . c19468_2md1 1 . 9 . 2704 . 1 1 17 ARG HH22 H -25.329 7.865 -0.911 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HH22 . . . . . . . . . c19468_2md1 1 . 9 . 2705 . 1 1 17 ARG N N -17.527 6.287 -1.830 . . . 1.0 . . . . . . . . . . . . A . 17 ARG N . . . . . . . . . c19468_2md1 1 . 9 . 2706 . 1 1 17 ARG NE N -22.132 8.066 -0.815 . . . 1.0 . . . . . . . . . . . . A . 17 ARG NE . . . . . . . . . c19468_2md1 1 . 9 . 2707 . 1 1 17 ARG NH1 N -23.484 7.190 -2.458 . . . 1.0 . . . . . . . . . . . . A . 17 ARG NH1 . . . . . . . . . c19468_2md1 1 . 9 . 2708 . 1 1 17 ARG NH2 N -24.418 8.081 -0.561 . . . 1.0 . . . . . . . . . . . . A . 17 ARG NH2 . . . . . . . . . c19468_2md1 1 . 9 . 2709 . 1 1 17 ARG O O -16.379 4.264 0.087 . . . 1.0 . . . . . . . . . . . . A . 17 ARG O . . . . . . . . . c19468_2md1 1 . 10 . 2710 . 1 1 1 TRP C C 1.164 0.878 -2.239 . . . 1.0 . . . . . . . . . . . . A . 1 TRP C . . . . . . . . . c19468_2md1 1 . 10 . 2711 . 1 1 1 TRP CA C 1.454 -0.608 -2.069 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CA . . . . . . . . . c19468_2md1 1 . 10 . 2712 . 1 1 1 TRP CB C 1.727 -1.247 -3.432 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CB . . . . . . . . . c19468_2md1 1 . 10 . 2713 . 1 1 1 TRP CD1 C 4.276 -1.113 -3.205 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD1 . . . . . . . . . c19468_2md1 1 . 10 . 2714 . 1 1 1 TRP CD2 C 3.509 -0.643 -5.256 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD2 . . . . . . . . . c19468_2md1 1 . 10 . 2715 . 1 1 1 TRP CE2 C 4.913 -0.534 -5.266 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE2 . . . . . . . . . c19468_2md1 1 . 10 . 2716 . 1 1 1 TRP CE3 C 2.806 -0.393 -6.437 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE3 . . . . . . . . . c19468_2md1 1 . 10 . 2717 . 1 1 1 TRP CG C 3.122 -1.015 -3.928 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CG . . . . . . . . . c19468_2md1 1 . 10 . 2718 . 1 1 1 TRP CH2 C 4.910 0.053 -7.553 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CH2 . . . . . . . . . c19468_2md1 1 . 10 . 2719 . 1 1 1 TRP CZ2 C 5.624 -0.186 -6.411 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ2 . . . . . . . . . c19468_2md1 1 . 10 . 2720 . 1 1 1 TRP CZ3 C 3.513 -0.047 -7.573 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ3 . . . . . . . . . c19468_2md1 1 . 10 . 2721 . 1 1 1 TRP H1 H 0.455 -1.595 -0.484 . . . 1.0 . . . . . . . . . . . . A . 1 TRP H1 . . . . . . . . . c19468_2md1 1 . 10 . 2722 . 1 1 1 TRP HA H 2.329 -0.723 -1.446 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HA . . . . . . . . . c19468_2md1 1 . 10 . 2723 . 1 1 1 TRP HB2 H 1.572 -2.313 -3.361 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB2 . . . . . . . . . c19468_2md1 1 . 10 . 2724 . 1 1 1 TRP HB3 H 1.041 -0.834 -4.158 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB3 . . . . . . . . . c19468_2md1 1 . 10 . 2725 . 1 1 1 TRP HD1 H 4.318 -1.378 -2.160 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HD1 . . . . . . . . . c19468_2md1 1 . 10 . 2726 . 1 1 1 TRP HE1 H 6.294 -0.830 -3.715 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE1 . . . . . . . . . c19468_2md1 1 . 10 . 2727 . 1 1 1 TRP HE3 H 1.728 -0.465 -6.472 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE3 . . . . . . . . . c19468_2md1 1 . 10 . 2728 . 1 1 1 TRP HH2 H 5.421 0.327 -8.464 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HH2 . . . . . . . . . c19468_2md1 1 . 10 . 2729 . 1 1 1 TRP HZ2 H 6.702 -0.105 -6.412 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ2 . . . . . . . . . c19468_2md1 1 . 10 . 2730 . 1 1 1 TRP HZ3 H 2.987 0.151 -8.495 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ3 . . . . . . . . . c19468_2md1 1 . 10 . 2731 . 1 1 1 TRP N N 0.344 -1.284 -1.407 . . . 1.0 . . . . . . . . . . . . A . 1 TRP N . . . . . . . . . c19468_2md1 1 . 10 . 2732 . 1 1 1 TRP NE1 N 5.357 -0.825 -4.003 . . . 1.0 . . . . . . . . . . . . A . 1 TRP NE1 . . . . . . . . . c19468_2md1 1 . 10 . 2733 . 1 1 1 TRP O O 0.341 1.270 -3.067 . . . 1.0 . . . . . . . . . . . . A . 1 TRP O . . . . . . . . . c19468_2md1 1 . 10 . 2734 . 1 1 2 LYS C C 1.761 3.647 -2.953 . . . 1.0 . . . . . . . . . . . . A . 2 LYS C . . . . . . . . . c19468_2md1 1 . 10 . 2735 . 1 1 2 LYS CA C 1.660 3.149 -1.515 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CA . . . . . . . . . c19468_2md1 1 . 10 . 2736 . 1 1 2 LYS CB C 2.701 3.856 -0.645 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CB . . . . . . . . . c19468_2md1 1 . 10 . 2737 . 1 1 2 LYS CD C 4.610 2.509 0.279 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CD . . . . . . . . . c19468_2md1 1 . 10 . 2738 . 1 1 2 LYS CE C 5.456 3.316 1.252 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CE . . . . . . . . . c19468_2md1 1 . 10 . 2739 . 1 1 2 LYS CG C 4.120 3.366 -0.876 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CG . . . . . . . . . c19468_2md1 1 . 10 . 2740 . 1 1 2 LYS H H 2.486 1.332 -0.810 . . . 1.0 . . . . . . . . . . . . A . 2 LYS H . . . . . . . . . c19468_2md1 1 . 10 . 2741 . 1 1 2 LYS HA H 0.674 3.375 -1.137 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HA . . . . . . . . . c19468_2md1 1 . 10 . 2742 . 1 1 2 LYS HB2 H 2.669 4.915 -0.854 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB2 . . . . . . . . . c19468_2md1 1 . 10 . 2743 . 1 1 2 LYS HB3 H 2.453 3.695 0.395 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB3 . . . . . . . . . c19468_2md1 1 . 10 . 2744 . 1 1 2 LYS HD2 H 3.757 2.110 0.807 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD2 . . . . . . . . . c19468_2md1 1 . 10 . 2745 . 1 1 2 LYS HD3 H 5.205 1.696 -0.113 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD3 . . . . . . . . . c19468_2md1 1 . 10 . 2746 . 1 1 2 LYS HE2 H 6.061 4.011 0.692 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE2 . . . . . . . . . c19468_2md1 1 . 10 . 2747 . 1 1 2 LYS HE3 H 4.799 3.862 1.913 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE3 . . . . . . . . . c19468_2md1 1 . 10 . 2748 . 1 1 2 LYS HG2 H 4.146 2.778 -1.782 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG2 . . . . . . . . . c19468_2md1 1 . 10 . 2749 . 1 1 2 LYS HG3 H 4.774 4.220 -0.981 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG3 . . . . . . . . . c19468_2md1 1 . 10 . 2750 . 1 1 2 LYS HZ1 H 5.867 1.550 2.290 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ1 . . . . . . . . . c19468_2md1 1 . 10 . 2751 . 1 1 2 LYS HZ2 H 6.598 2.922 2.956 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ2 . . . . . . . . . c19468_2md1 1 . 10 . 2752 . 1 1 2 LYS HZ3 H 7.220 2.235 1.541 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ3 . . . . . . . . . c19468_2md1 1 . 10 . 2753 . 1 1 2 LYS N N 1.844 1.704 -1.451 . . . 1.0 . . . . . . . . . . . . A . 2 LYS N . . . . . . . . . c19468_2md1 1 . 10 . 2754 . 1 1 2 LYS NZ N 6.348 2.444 2.067 . . . 1.0 . . . . . . . . . . . . A . 2 LYS NZ . . . . . . . . . c19468_2md1 1 . 10 . 2755 . 1 1 2 LYS O O 1.188 4.679 -3.306 . . . 1.0 . . . . . . . . . . . . A . 2 LYS O . . . . . . . . . c19468_2md1 1 . 10 . 2756 . 1 1 3 LEU C C 1.390 3.018 -5.975 . . . 1.0 . . . . . . . . . . . . A . 3 LEU C . . . . . . . . . c19468_2md1 1 . 10 . 2757 . 1 1 3 LEU CA C 2.668 3.274 -5.181 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CA . . . . . . . . . c19468_2md1 1 . 10 . 2758 . 1 1 3 LEU CB C 3.828 2.487 -5.793 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CB . . . . . . . . . c19468_2md1 1 . 10 . 2759 . 1 1 3 LEU CD1 C 4.548 4.463 -7.157 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CD1 . . . . . . . . . c19468_2md1 1 . 10 . 2760 . 1 1 3 LEU CD2 C 5.820 3.839 -5.096 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CD2 . . . . . . . . . c19468_2md1 1 . 10 . 2761 . 1 1 3 LEU CG C 5.019 3.314 -6.278 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CG . . . . . . . . . c19468_2md1 1 . 10 . 2762 . 1 1 3 LEU H H 2.925 2.097 -3.442 . . . 1.0 . . . . . . . . . . . . A . 3 LEU H . . . . . . . . . c19468_2md1 1 . 10 . 2763 . 1 1 3 LEU HA H 2.897 4.328 -5.222 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HA . . . . . . . . . c19468_2md1 1 . 10 . 2764 . 1 1 3 LEU HB2 H 4.188 1.795 -5.047 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HB2 . . . . . . . . . c19468_2md1 1 . 10 . 2765 . 1 1 3 LEU HB3 H 3.442 1.934 -6.638 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HB3 . . . . . . . . . c19468_2md1 1 . 10 . 2766 . 1 1 3 LEU HD11 H 4.929 5.394 -6.766 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD11 . . . . . . . . . c19468_2md1 1 . 10 . 2767 . 1 1 3 LEU HD12 H 3.468 4.491 -7.165 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD12 . . . . . . . . . c19468_2md1 1 . 10 . 2768 . 1 1 3 LEU HD13 H 4.911 4.318 -8.164 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD13 . . . . . . . . . c19468_2md1 1 . 10 . 2769 . 1 1 3 LEU HD21 H 5.246 4.591 -4.577 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD21 . . . . . . . . . c19468_2md1 1 . 10 . 2770 . 1 1 3 LEU HD22 H 6.744 4.272 -5.451 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD22 . . . . . . . . . c19468_2md1 1 . 10 . 2771 . 1 1 3 LEU HD23 H 6.041 3.024 -4.421 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD23 . . . . . . . . . c19468_2md1 1 . 10 . 2772 . 1 1 3 LEU HG H 5.668 2.686 -6.871 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HG . . . . . . . . . c19468_2md1 1 . 10 . 2773 . 1 1 3 LEU N N 2.492 2.908 -3.780 . . . 1.0 . . . . . . . . . . . . A . 3 LEU N . . . . . . . . . c19468_2md1 1 . 10 . 2774 . 1 1 3 LEU O O 0.996 3.828 -6.816 . . . 1.0 . . . . . . . . . . . . A . 3 LEU O . . . . . . . . . c19468_2md1 1 . 10 . 2775 . 1 1 4 LEU C C -1.688 2.229 -5.757 . . . 1.0 . . . . . . . . . . . . A . 4 LEU C . . . . . . . . . c19468_2md1 1 . 10 . 2776 . 1 1 4 LEU CA C -0.489 1.527 -6.388 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CA . . . . . . . . . c19468_2md1 1 . 10 . 2777 . 1 1 4 LEU CB C -0.692 0.012 -6.349 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CB . . . . . . . . . c19468_2md1 1 . 10 . 2778 . 1 1 4 LEU CD1 C 0.320 0.139 -8.638 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD1 . . . . . . . . . c19468_2md1 1 . 10 . 2779 . 1 1 4 LEU CD2 C 0.264 -2.044 -7.418 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD2 . . . . . . . . . c19468_2md1 1 . 10 . 2780 . 1 1 4 LEU CG C -0.462 -0.730 -7.666 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CG . . . . . . . . . c19468_2md1 1 . 10 . 2781 . 1 1 4 LEU H H 1.108 1.284 -5.021 . . . 1.0 . . . . . . . . . . . . A . 4 LEU H . . . . . . . . . c19468_2md1 1 . 10 . 2782 . 1 1 4 LEU HA H -0.402 1.845 -7.416 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HA . . . . . . . . . c19468_2md1 1 . 10 . 2783 . 1 1 4 LEU HB2 H -0.011 -0.394 -5.617 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB2 . . . . . . . . . c19468_2md1 1 . 10 . 2784 . 1 1 4 LEU HB3 H -1.709 -0.177 -6.035 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB3 . . . . . . . . . c19468_2md1 1 . 10 . 2785 . 1 1 4 LEU HD11 H 1.121 0.636 -8.112 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD11 . . . . . . . . . c19468_2md1 1 . 10 . 2786 . 1 1 4 LEU HD12 H -0.338 0.876 -9.072 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD12 . . . . . . . . . c19468_2md1 1 . 10 . 2787 . 1 1 4 LEU HD13 H 0.733 -0.480 -9.422 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD13 . . . . . . . . . c19468_2md1 1 . 10 . 2788 . 1 1 4 LEU HD21 H 1.278 -1.969 -7.783 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD21 . . . . . . . . . c19468_2md1 1 . 10 . 2789 . 1 1 4 LEU HD22 H -0.248 -2.841 -7.937 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD22 . . . . . . . . . c19468_2md1 1 . 10 . 2790 . 1 1 4 LEU HD23 H 0.276 -2.254 -6.358 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD23 . . . . . . . . . c19468_2md1 1 . 10 . 2791 . 1 1 4 LEU HG H -1.419 -0.956 -8.116 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HG . . . . . . . . . c19468_2md1 1 . 10 . 2792 . 1 1 4 LEU N N 0.746 1.889 -5.701 . . . 1.0 . . . . . . . . . . . . A . 4 LEU N . . . . . . . . . c19468_2md1 1 . 10 . 2793 . 1 1 4 LEU O O -2.673 2.524 -6.434 . . . 1.0 . . . . . . . . . . . . A . 4 LEU O . . . . . . . . . c19468_2md1 1 . 10 . 2794 . 1 1 5 SER C C -2.742 4.639 -4.103 . . . 1.0 . . . . . . . . . . . . A . 5 SER C . . . . . . . . . c19468_2md1 1 . 10 . 2795 . 1 1 5 SER CA C -2.674 3.160 -3.736 . . . 1.0 . . . . . . . . . . . . A . 5 SER CA . . . . . . . . . c19468_2md1 1 . 10 . 2796 . 1 1 5 SER CB C -2.476 3.006 -2.227 . . . 1.0 . . . . . . . . . . . . A . 5 SER CB . . . . . . . . . c19468_2md1 1 . 10 . 2797 . 1 1 5 SER H H -0.785 2.234 -3.974 . . . 1.0 . . . . . . . . . . . . A . 5 SER H . . . . . . . . . c19468_2md1 1 . 10 . 2798 . 1 1 5 SER HA H -3.603 2.688 -4.018 . . . 1.0 . . . . . . . . . . . . A . 5 SER HA . . . . . . . . . c19468_2md1 1 . 10 . 2799 . 1 1 5 SER HB2 H -1.436 3.165 -1.984 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB2 . . . . . . . . . c19468_2md1 1 . 10 . 2800 . 1 1 5 SER HB3 H -3.082 3.737 -1.711 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB3 . . . . . . . . . c19468_2md1 1 . 10 . 2801 . 1 1 5 SER HG H -2.702 1.634 -0.847 . . . 1.0 . . . . . . . . . . . . A . 5 SER HG . . . . . . . . . c19468_2md1 1 . 10 . 2802 . 1 1 5 SER N N -1.596 2.494 -4.458 . . . 1.0 . . . . . . . . . . . . A . 5 SER N . . . . . . . . . c19468_2md1 1 . 10 . 2803 . 1 1 5 SER O O -3.769 5.291 -3.918 . . . 1.0 . . . . . . . . . . . . A . 5 SER O . . . . . . . . . c19468_2md1 1 . 10 . 2804 . 1 1 5 SER OG O -2.853 1.711 -1.792 . . . 1.0 . . . . . . . . . . . . A . 5 SER OG . . . . . . . . . c19468_2md1 1 . 10 . 2805 . 1 1 6 LYS C C -1.823 6.721 -6.517 . . . 1.0 . . . . . . . . . . . . A . 6 LYS C . . . . . . . . . c19468_2md1 1 . 10 . 2806 . 1 1 6 LYS CA C -1.570 6.565 -5.021 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CA . . . . . . . . . c19468_2md1 1 . 10 . 2807 . 1 1 6 LYS CB C -0.203 7.152 -4.661 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CB . . . . . . . . . c19468_2md1 1 . 10 . 2808 . 1 1 6 LYS CD C 2.242 6.911 -5.187 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CD . . . . . . . . . c19468_2md1 1 . 10 . 2809 . 1 1 6 LYS CE C 2.918 8.274 -5.176 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CE . . . . . . . . . c19468_2md1 1 . 10 . 2810 . 1 1 6 LYS CG C 0.836 6.992 -5.758 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CG . . . . . . . . . c19468_2md1 1 . 10 . 2811 . 1 1 6 LYS H H -0.850 4.593 -4.749 . . . 1.0 . . . . . . . . . . . . A . 6 LYS H . . . . . . . . . c19468_2md1 1 . 10 . 2812 . 1 1 6 LYS HA H -2.336 7.100 -4.481 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HA . . . . . . . . . c19468_2md1 1 . 10 . 2813 . 1 1 6 LYS HB2 H -0.320 8.206 -4.455 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB2 . . . . . . . . . c19468_2md1 1 . 10 . 2814 . 1 1 6 LYS HB3 H 0.164 6.659 -3.772 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB3 . . . . . . . . . c19468_2md1 1 . 10 . 2815 . 1 1 6 LYS HD2 H 2.189 6.540 -4.174 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD2 . . . . . . . . . c19468_2md1 1 . 10 . 2816 . 1 1 6 LYS HD3 H 2.827 6.233 -5.791 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD3 . . . . . . . . . c19468_2md1 1 . 10 . 2817 . 1 1 6 LYS HE2 H 2.677 8.788 -6.094 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE2 . . . . . . . . . c19468_2md1 1 . 10 . 2818 . 1 1 6 LYS HE3 H 2.542 8.841 -4.337 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE3 . . . . . . . . . c19468_2md1 1 . 10 . 2819 . 1 1 6 LYS HG2 H 0.629 6.086 -6.307 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG2 . . . . . . . . . c19468_2md1 1 . 10 . 2820 . 1 1 6 LYS HG3 H 0.776 7.841 -6.424 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG3 . . . . . . . . . c19468_2md1 1 . 10 . 2821 . 1 1 6 LYS HZ1 H 4.646 7.371 -4.425 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ1 . . . . . . . . . c19468_2md1 1 . 10 . 2822 . 1 1 6 LYS HZ2 H 4.796 9.038 -4.674 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ2 . . . . . . . . . c19468_2md1 1 . 10 . 2823 . 1 1 6 LYS HZ3 H 4.817 7.980 -5.994 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ3 . . . . . . . . . c19468_2md1 1 . 10 . 2824 . 1 1 6 LYS N N -1.638 5.164 -4.626 . . . 1.0 . . . . . . . . . . . . A . 6 LYS N . . . . . . . . . c19468_2md1 1 . 10 . 2825 . 1 1 6 LYS NZ N 4.398 8.157 -5.059 . . . 1.0 . . . . . . . . . . . . A . 6 LYS NZ . . . . . . . . . c19468_2md1 1 . 10 . 2826 . 1 1 6 LYS O O -2.237 7.785 -6.979 . . . 1.0 . . . . . . . . . . . . A . 6 LYS O . . . . . . . . . c19468_2md1 1 . 10 . 2827 . 1 1 7 ALA C C -3.128 5.066 -9.083 . . . 1.0 . . . . . . . . . . . . A . 7 ALA C . . . . . . . . . c19468_2md1 1 . 10 . 2828 . 1 1 7 ALA CA C -1.779 5.673 -8.713 . . . 1.0 . . . . . . . . . . . . A . 7 ALA CA . . . . . . . . . c19468_2md1 1 . 10 . 2829 . 1 1 7 ALA CB C -0.653 4.929 -9.415 . . . 1.0 . . . . . . . . . . . . A . 7 ALA CB . . . . . . . . . c19468_2md1 1 . 10 . 2830 . 1 1 7 ALA H H -1.246 4.835 -6.844 . . . 1.0 . . . . . . . . . . . . A . 7 ALA H . . . . . . . . . c19468_2md1 1 . 10 . 2831 . 1 1 7 ALA HA H -1.756 6.702 -9.040 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HA . . . . . . . . . c19468_2md1 1 . 10 . 2832 . 1 1 7 ALA HB1 H -0.756 5.048 -10.484 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB1 . . . . . . . . . c19468_2md1 1 . 10 . 2833 . 1 1 7 ALA HB2 H 0.297 5.331 -9.097 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB2 . . . . . . . . . c19468_2md1 1 . 10 . 2834 . 1 1 7 ALA HB3 H -0.702 3.880 -9.163 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB3 . . . . . . . . . c19468_2md1 1 . 10 . 2835 . 1 1 7 ALA N N -1.574 5.654 -7.270 . . . 1.0 . . . . . . . . . . . . A . 7 ALA N . . . . . . . . . c19468_2md1 1 . 10 . 2836 . 1 1 7 ALA O O -3.589 5.203 -10.216 . . . 1.0 . . . . . . . . . . . . A . 7 ALA O . . . . . . . . . c19468_2md1 1 . 10 . 2837 . 1 1 8 GLN C C -6.160 4.537 -7.640 . . . 1.0 . . . . . . . . . . . . A . 8 GLN C . . . . . . . . . c19468_2md1 1 . 10 . 2838 . 1 1 8 GLN CA C -5.050 3.767 -8.349 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CA . . . . . . . . . c19468_2md1 1 . 10 . 2839 . 1 1 8 GLN CB C -5.029 2.317 -7.864 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CB . . . . . . . . . c19468_2md1 1 . 10 . 2840 . 1 1 8 GLN CD C -6.080 0.098 -8.464 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CD . . . . . . . . . c19468_2md1 1 . 10 . 2841 . 1 1 8 GLN CG C -6.318 1.562 -8.147 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CG . . . . . . . . . c19468_2md1 1 . 10 . 2842 . 1 1 8 GLN H H -3.335 4.322 -7.240 . . . 1.0 . . . . . . . . . . . . A . 8 GLN H . . . . . . . . . c19468_2md1 1 . 10 . 2843 . 1 1 8 GLN HA H -5.243 3.779 -9.411 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HA . . . . . . . . . c19468_2md1 1 . 10 . 2844 . 1 1 8 GLN HB2 H -4.218 1.798 -8.353 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB2 . . . . . . . . . c19468_2md1 1 . 10 . 2845 . 1 1 8 GLN HB3 H -4.860 2.309 -6.797 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB3 . . . . . . . . . c19468_2md1 1 . 10 . 2846 . 1 1 8 GLN HE21 H -5.824 -0.303 -6.533 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE21 . . . . . . . . . c19468_2md1 1 . 10 . 2847 . 1 1 8 GLN HE22 H -5.678 -1.649 -7.606 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE22 . . . . . . . . . c19468_2md1 1 . 10 . 2848 . 1 1 8 GLN HG2 H -6.956 1.626 -7.278 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG2 . . . . . . . . . c19468_2md1 1 . 10 . 2849 . 1 1 8 GLN HG3 H -6.812 2.022 -8.990 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG3 . . . . . . . . . c19468_2md1 1 . 10 . 2850 . 1 1 8 GLN N N -3.754 4.396 -8.122 . . . 1.0 . . . . . . . . . . . . A . 8 GLN N . . . . . . . . . c19468_2md1 1 . 10 . 2851 . 1 1 8 GLN NE2 N -5.835 -0.699 -7.430 . . . 1.0 . . . . . . . . . . . . A . 8 GLN NE2 . . . . . . . . . c19468_2md1 1 . 10 . 2852 . 1 1 8 GLN O O -7.322 4.477 -8.041 . . . 1.0 . . . . . . . . . . . . A . 8 GLN O . . . . . . . . . c19468_2md1 1 . 10 . 2853 . 1 1 8 GLN OE1 O -6.115 -0.311 -9.624 . . . 1.0 . . . . . . . . . . . . A . 8 GLN OE1 . . . . . . . . . c19468_2md1 1 . 10 . 2854 . 1 1 9 GLU C C -7.488 7.033 -6.720 . . . 1.0 . . . . . . . . . . . . A . 9 GLU C . . . . . . . . . c19468_2md1 1 . 10 . 2855 . 1 1 9 GLU CA C -6.760 6.038 -5.822 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CA . . . . . . . . . c19468_2md1 1 . 10 . 2856 . 1 1 9 GLU CB C -6.060 6.781 -4.681 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CB . . . . . . . . . c19468_2md1 1 . 10 . 2857 . 1 1 9 GLU CD C -6.195 8.607 -2.940 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CD . . . . . . . . . c19468_2md1 1 . 10 . 2858 . 1 1 9 GLU CG C -6.870 7.940 -4.123 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CG . . . . . . . . . c19468_2md1 1 . 10 . 2859 . 1 1 9 GLU H H -4.852 5.266 -6.316 . . . 1.0 . . . . . . . . . . . . A . 9 GLU H . . . . . . . . . c19468_2md1 1 . 10 . 2860 . 1 1 9 GLU HA H -7.482 5.354 -5.403 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HA . . . . . . . . . c19468_2md1 1 . 10 . 2861 . 1 1 9 GLU HB2 H -5.867 6.085 -3.879 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HB2 . . . . . . . . . c19468_2md1 1 . 10 . 2862 . 1 1 9 GLU HB3 H -5.120 7.169 -5.044 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HB3 . . . . . . . . . c19468_2md1 1 . 10 . 2863 . 1 1 9 GLU HG2 H -7.006 8.676 -4.902 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HG2 . . . . . . . . . c19468_2md1 1 . 10 . 2864 . 1 1 9 GLU HG3 H -7.834 7.570 -3.808 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HG3 . . . . . . . . . c19468_2md1 1 . 10 . 2865 . 1 1 9 GLU N N -5.793 5.258 -6.586 . . . 1.0 . . . . . . . . . . . . A . 9 GLU N . . . . . . . . . c19468_2md1 1 . 10 . 2866 . 1 1 9 GLU O O -8.633 7.403 -6.457 . . . 1.0 . . . . . . . . . . . . A . 9 GLU O . . . . . . . . . c19468_2md1 1 . 10 . 2867 . 1 1 9 GLU OE1 O -5.375 9.521 -3.162 . . . 1.0 . . . . . . . . . . . . A . 9 GLU OE1 . . . . . . . . . c19468_2md1 1 . 10 . 2868 . 1 1 9 GLU OE2 O -6.489 8.213 -1.792 . . . 1.0 . . . . . . . . . . . . A . 9 GLU OE2 . . . . . . . . . c19468_2md1 1 . 10 . 2869 . 1 1 10 LYS C C -8.224 7.696 -9.784 . . . 1.0 . . . . . . . . . . . . A . 10 LYS C . . . . . . . . . c19468_2md1 1 . 10 . 2870 . 1 1 10 LYS CA C -7.398 8.416 -8.722 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CA . . . . . . . . . c19468_2md1 1 . 10 . 2871 . 1 1 10 LYS CB C -6.297 9.242 -9.390 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CB . . . . . . . . . c19468_2md1 1 . 10 . 2872 . 1 1 10 LYS CD C -4.151 9.099 -10.687 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CD . . . . . . . . . c19468_2md1 1 . 10 . 2873 . 1 1 10 LYS CE C -3.226 8.904 -9.495 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CE . . . . . . . . . c19468_2md1 1 . 10 . 2874 . 1 1 10 LYS CG C -5.515 8.475 -10.442 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CG . . . . . . . . . c19468_2md1 1 . 10 . 2875 . 1 1 10 LYS H H -5.907 7.133 -7.939 . . . 1.0 . . . . . . . . . . . . A . 10 LYS H . . . . . . . . . c19468_2md1 1 . 10 . 2876 . 1 1 10 LYS HA H -8.046 9.077 -8.166 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HA . . . . . . . . . c19468_2md1 1 . 10 . 2877 . 1 1 10 LYS HB2 H -6.746 10.104 -9.862 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB2 . . . . . . . . . c19468_2md1 1 . 10 . 2878 . 1 1 10 LYS HB3 H -5.605 9.578 -8.631 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB3 . . . . . . . . . c19468_2md1 1 . 10 . 2879 . 1 1 10 LYS HD2 H -3.704 8.637 -11.555 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD2 . . . . . . . . . c19468_2md1 1 . 10 . 2880 . 1 1 10 LYS HD3 H -4.276 10.158 -10.865 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD3 . . . . . . . . . c19468_2md1 1 . 10 . 2881 . 1 1 10 LYS HE2 H -3.494 9.614 -8.729 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE2 . . . . . . . . . c19468_2md1 1 . 10 . 2882 . 1 1 10 LYS HE3 H -3.355 7.900 -9.117 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE3 . . . . . . . . . c19468_2md1 1 . 10 . 2883 . 1 1 10 LYS HG2 H -5.378 7.458 -10.106 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG2 . . . . . . . . . c19468_2md1 1 . 10 . 2884 . 1 1 10 LYS HG3 H -6.074 8.479 -11.367 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG3 . . . . . . . . . c19468_2md1 1 . 10 . 2885 . 1 1 10 LYS HZ1 H -1.231 9.293 -9.012 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ1 . . . . . . . . . c19468_2md1 1 . 10 . 2886 . 1 1 10 LYS HZ2 H -1.705 9.909 -10.515 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ2 . . . . . . . . . c19468_2md1 1 . 10 . 2887 . 1 1 10 LYS HZ3 H -1.426 8.251 -10.331 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ3 . . . . . . . . . c19468_2md1 1 . 10 . 2888 . 1 1 10 LYS N N -6.817 7.464 -7.783 . . . 1.0 . . . . . . . . . . . . A . 10 LYS N . . . . . . . . . c19468_2md1 1 . 10 . 2889 . 1 1 10 LYS NZ N -1.797 9.103 -9.864 . . . 1.0 . . . . . . . . . . . . A . 10 LYS NZ . . . . . . . . . c19468_2md1 1 . 10 . 2890 . 1 1 10 LYS O O -8.596 8.285 -10.799 . . . 1.0 . . . . . . . . . . . . A . 10 LYS O . . . . . . . . . c19468_2md1 1 . 10 . 2891 . 1 1 11 PHE C C -10.551 5.082 -9.811 . . . 1.0 . . . . . . . . . . . . A . 11 PHE C . . . . . . . . . c19468_2md1 1 . 10 . 2892 . 1 1 11 PHE CA C -9.290 5.621 -10.479 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CA . . . . . . . . . c19468_2md1 1 . 10 . 2893 . 1 1 11 PHE CB C -8.449 4.462 -11.018 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CB . . . . . . . . . c19468_2md1 1 . 10 . 2894 . 1 1 11 PHE CD1 C -6.223 5.479 -11.571 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CD1 . . . . . . . . . c19468_2md1 1 . 10 . 2895 . 1 1 11 PHE CD2 C -7.591 4.703 -13.364 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CD2 . . . . . . . . . c19468_2md1 1 . 10 . 2896 . 1 1 11 PHE CE1 C -5.257 5.875 -12.477 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CE1 . . . . . . . . . c19468_2md1 1 . 10 . 2897 . 1 1 11 PHE CE2 C -6.628 5.097 -14.274 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CE2 . . . . . . . . . c19468_2md1 1 . 10 . 2898 . 1 1 11 PHE CG C -7.400 4.890 -12.004 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CG . . . . . . . . . c19468_2md1 1 . 10 . 2899 . 1 1 11 PHE CZ C -5.459 5.682 -13.829 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CZ . . . . . . . . . c19468_2md1 1 . 10 . 2900 . 1 1 11 PHE H H -8.182 6.007 -8.716 . . . 1.0 . . . . . . . . . . . . A . 11 PHE H . . . . . . . . . c19468_2md1 1 . 10 . 2901 . 1 1 11 PHE HA H -9.576 6.260 -11.300 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HA . . . . . . . . . c19468_2md1 1 . 10 . 2902 . 1 1 11 PHE HB2 H -7.950 3.974 -10.194 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HB2 . . . . . . . . . c19468_2md1 1 . 10 . 2903 . 1 1 11 PHE HB3 H -9.100 3.754 -11.510 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HB3 . . . . . . . . . c19468_2md1 1 . 10 . 2904 . 1 1 11 PHE HD1 H -6.063 5.629 -10.514 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HD1 . . . . . . . . . c19468_2md1 1 . 10 . 2905 . 1 1 11 PHE HD2 H -8.506 4.245 -13.713 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HD2 . . . . . . . . . c19468_2md1 1 . 10 . 2906 . 1 1 11 PHE HE1 H -4.343 6.332 -12.127 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HE1 . . . . . . . . . c19468_2md1 1 . 10 . 2907 . 1 1 11 PHE HE2 H -6.789 4.944 -15.331 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HE2 . . . . . . . . . c19468_2md1 1 . 10 . 2908 . 1 1 11 PHE HZ H -4.705 5.991 -14.539 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HZ . . . . . . . . . c19468_2md1 1 . 10 . 2909 . 1 1 11 PHE N N -8.507 6.421 -9.543 . . . 1.0 . . . . . . . . . . . . A . 11 PHE N . . . . . . . . . c19468_2md1 1 . 10 . 2910 . 1 1 11 PHE O O -11.590 4.932 -10.452 . . . 1.0 . . . . . . . . . . . . A . 11 PHE O . . . . . . . . . c19468_2md1 1 . 10 . 2911 . 1 1 12 GLY C C -12.368 5.361 -7.071 . . . 1.0 . . . . . . . . . . . . A . 12 GLY C . . . . . . . . . c19468_2md1 1 . 10 . 2912 . 1 1 12 GLY CA C -11.590 4.272 -7.783 . . . 1.0 . . . . . . . . . . . . A . 12 GLY CA . . . . . . . . . c19468_2md1 1 . 10 . 2913 . 1 1 12 GLY H H -9.597 4.932 -8.057 . . . 1.0 . . . . . . . . . . . . A . 12 GLY H . . . . . . . . . c19468_2md1 1 . 10 . 2914 . 1 1 12 GLY HA2 H -12.249 3.766 -8.474 . . . 1.0 . . . . . . . . . . . . A . 12 GLY HA2 . . . . . . . . . c19468_2md1 1 . 10 . 2915 . 1 1 12 GLY HA3 H -11.238 3.560 -7.051 . . . 1.0 . . . . . . . . . . . . A . 12 GLY HA3 . . . . . . . . . c19468_2md1 1 . 10 . 2916 . 1 1 12 GLY N N -10.451 4.792 -8.517 . . . 1.0 . . . . . . . . . . . . A . 12 GLY N . . . . . . . . . c19468_2md1 1 . 10 . 2917 . 1 1 12 GLY O O -12.568 5.300 -5.858 . . . 1.0 . . . . . . . . . . . . A . 12 GLY O . . . . . . . . . c19468_2md1 1 . 10 . 2918 . 1 1 13 LYS C C -14.736 6.960 -6.427 . . . 1.0 . . . . . . . . . . . . A . 13 LYS C . . . . . . . . . c19468_2md1 1 . 10 . 2919 . 1 1 13 LYS CA C -13.565 7.472 -7.261 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CA . . . . . . . . . c19468_2md1 1 . 10 . 2920 . 1 1 13 LYS CB C -14.080 8.385 -8.376 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CB . . . . . . . . . c19468_2md1 1 . 10 . 2921 . 1 1 13 LYS CD C -13.711 7.666 -10.755 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CD . . . . . . . . . c19468_2md1 1 . 10 . 2922 . 1 1 13 LYS CE C -13.965 8.884 -11.630 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CE . . . . . . . . . c19468_2md1 1 . 10 . 2923 . 1 1 13 LYS CG C -14.654 7.631 -9.563 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CG . . . . . . . . . c19468_2md1 1 . 10 . 2924 . 1 1 13 LYS H H -12.614 6.356 -8.788 . . . 1.0 . . . . . . . . . . . . A . 13 LYS H . . . . . . . . . c19468_2md1 1 . 10 . 2925 . 1 1 13 LYS HA H -12.903 8.036 -6.622 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HA . . . . . . . . . c19468_2md1 1 . 10 . 2926 . 1 1 13 LYS HB2 H -14.853 9.023 -7.974 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB2 . . . . . . . . . c19468_2md1 1 . 10 . 2927 . 1 1 13 LYS HB3 H -13.264 8.999 -8.727 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB3 . . . . . . . . . c19468_2md1 1 . 10 . 2928 . 1 1 13 LYS HD2 H -12.693 7.700 -10.396 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD2 . . . . . . . . . c19468_2md1 1 . 10 . 2929 . 1 1 13 LYS HD3 H -13.857 6.772 -11.345 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD3 . . . . . . . . . c19468_2md1 1 . 10 . 2930 . 1 1 13 LYS HE2 H -15.017 9.123 -11.595 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE2 . . . . . . . . . c19468_2md1 1 . 10 . 2931 . 1 1 13 LYS HE3 H -13.394 9.714 -11.243 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE3 . . . . . . . . . c19468_2md1 1 . 10 . 2932 . 1 1 13 LYS HG2 H -14.819 6.602 -9.279 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG2 . . . . . . . . . c19468_2md1 1 . 10 . 2933 . 1 1 13 LYS HG3 H -15.594 8.084 -9.846 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG3 . . . . . . . . . c19468_2md1 1 . 10 . 2934 . 1 1 13 LYS HZ1 H -12.968 9.418 -13.387 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ1 . . . . . . . . . c19468_2md1 1 . 10 . 2935 . 1 1 13 LYS HZ2 H -14.416 8.582 -13.647 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ2 . . . . . . . . . c19468_2md1 1 . 10 . 2936 . 1 1 13 LYS HZ3 H -13.041 7.749 -13.121 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ3 . . . . . . . . . c19468_2md1 1 . 10 . 2937 . 1 1 13 LYS N N -12.806 6.363 -7.826 . . . 1.0 . . . . . . . . . . . . A . 13 LYS N . . . . . . . . . c19468_2md1 1 . 10 . 2938 . 1 1 13 LYS NZ N -13.570 8.641 -13.045 . . . 1.0 . . . . . . . . . . . . A . 13 LYS NZ . . . . . . . . . c19468_2md1 1 . 10 . 2939 . 1 1 13 LYS O O -15.070 7.535 -5.392 . . . 1.0 . . . . . . . . . . . . A . 13 LYS O . . . . . . . . . c19468_2md1 1 . 10 . 2940 . 1 1 14 ASN C C -16.077 3.996 -5.476 . . . 1.0 . . . . . . . . . . . . A . 14 ASN C . . . . . . . . . c19468_2md1 1 . 10 . 2941 . 1 1 14 ASN CA C -16.486 5.287 -6.179 . . . 1.0 . . . . . . . . . . . . A . 14 ASN CA . . . . . . . . . c19468_2md1 1 . 10 . 2942 . 1 1 14 ASN CB C -17.632 5.009 -7.154 . . . 1.0 . . . . . . . . . . . . A . 14 ASN CB . . . . . . . . . c19468_2md1 1 . 10 . 2943 . 1 1 14 ASN CG C -18.802 5.952 -6.955 . . . 1.0 . . . . . . . . . . . . A . 14 ASN CG . . . . . . . . . c19468_2md1 1 . 10 . 2944 . 1 1 14 ASN H H -15.041 5.462 -7.716 . . . 1.0 . . . . . . . . . . . . A . 14 ASN H . . . . . . . . . c19468_2md1 1 . 10 . 2945 . 1 1 14 ASN HA H -16.820 5.997 -5.438 . . . 1.0 . . . . . . . . . . . . A . 14 ASN HA . . . . . . . . . c19468_2md1 1 . 10 . 2946 . 1 1 14 ASN HB2 H -17.271 5.122 -8.166 . . . 1.0 . . . . . . . . . . . . A . 14 ASN HB2 . . . . . . . . . c19468_2md1 1 . 10 . 2947 . 1 1 14 ASN HB3 H -17.980 3.997 -7.012 . . . 1.0 . . . . . . . . . . . . A . 14 ASN HB3 . . . . . . . . . c19468_2md1 1 . 10 . 2948 . 1 1 14 ASN HD21 H -18.611 6.621 -8.819 . . . 1.0 . . . . . . . . . . . . A . 14 ASN HD21 . . . . . . . . . c19468_2md1 1 . 10 . 2949 . 1 1 14 ASN HD22 H -19.886 7.330 -7.893 . . . 1.0 . . . . . . . . . . . . A . 14 ASN HD22 . . . . . . . . . c19468_2md1 1 . 10 . 2950 . 1 1 14 ASN N N -15.353 5.876 -6.884 . . . 1.0 . . . . . . . . . . . . A . 14 ASN N . . . . . . . . . c19468_2md1 1 . 10 . 2951 . 1 1 14 ASN ND2 N -19.133 6.711 -7.994 . . . 1.0 . . . . . . . . . . . . A . 14 ASN ND2 . . . . . . . . . c19468_2md1 1 . 10 . 2952 . 1 1 14 ASN O O -16.761 3.530 -4.564 . . . 1.0 . . . . . . . . . . . . A . 14 ASN O . . . . . . . . . c19468_2md1 1 . 10 . 2953 . 1 1 14 ASN OD1 O -19.401 5.998 -5.881 . . . 1.0 . . . . . . . . . . . . A . 14 ASN OD1 . . . . . . . . . c19468_2md1 1 . 10 . 2954 . 1 1 15 LYS C C -14.103 2.390 -3.845 . . . 1.0 . . . . . . . . . . . . A . 15 LYS C . . . . . . . . . c19468_2md1 1 . 10 . 2955 . 1 1 15 LYS CA C -14.454 2.189 -5.316 . . . 1.0 . . . . . . . . . . . . A . 15 LYS CA . . . . . . . . . c19468_2md1 1 . 10 . 2956 . 1 1 15 LYS CB C -13.224 1.698 -6.083 . . . 1.0 . . . . . . . . . . . . A . 15 LYS CB . . . . . . . . . c19468_2md1 1 . 10 . 2957 . 1 1 15 LYS CD C -13.742 -0.124 -7.733 . . . 1.0 . . . . . . . . . . . . A . 15 LYS CD . . . . . . . . . c19468_2md1 1 . 10 . 2958 . 1 1 15 LYS CE C -13.718 -1.621 -8.000 . . . 1.0 . . . . . . . . . . . . A . 15 LYS CE . . . . . . . . . c19468_2md1 1 . 10 . 2959 . 1 1 15 LYS CG C -13.226 0.201 -6.341 . . . 1.0 . . . . . . . . . . . . A . 15 LYS CG . . . . . . . . . c19468_2md1 1 . 10 . 2960 . 1 1 15 LYS H H -14.456 3.844 -6.635 . . . 1.0 . . . . . . . . . . . . A . 15 LYS H . . . . . . . . . c19468_2md1 1 . 10 . 2961 . 1 1 15 LYS HA H -15.234 1.446 -5.389 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HA . . . . . . . . . c19468_2md1 1 . 10 . 2962 . 1 1 15 LYS HB2 H -13.182 2.206 -7.035 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HB2 . . . . . . . . . c19468_2md1 1 . 10 . 2963 . 1 1 15 LYS HB3 H -12.339 1.943 -5.514 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HB3 . . . . . . . . . c19468_2md1 1 . 10 . 2964 . 1 1 15 LYS HD2 H -14.758 0.230 -7.823 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HD2 . . . . . . . . . c19468_2md1 1 . 10 . 2965 . 1 1 15 LYS HD3 H -13.119 0.373 -8.463 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HD3 . . . . . . . . . c19468_2md1 1 . 10 . 2966 . 1 1 15 LYS HE2 H -12.971 -1.828 -8.752 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HE2 . . . . . . . . . c19468_2md1 1 . 10 . 2967 . 1 1 15 LYS HE3 H -13.459 -2.133 -7.085 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HE3 . . . . . . . . . c19468_2md1 1 . 10 . 2968 . 1 1 15 LYS HG2 H -12.217 -0.173 -6.246 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HG2 . . . . . . . . . c19468_2md1 1 . 10 . 2969 . 1 1 15 LYS HG3 H -13.860 -0.280 -5.610 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HG3 . . . . . . . . . c19468_2md1 1 . 10 . 2970 . 1 1 15 LYS HZ1 H -15.140 -1.942 -9.497 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HZ1 . . . . . . . . . c19468_2md1 1 . 10 . 2971 . 1 1 15 LYS HZ2 H -15.806 -1.635 -7.972 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HZ2 . . . . . . . . . c19468_2md1 1 . 10 . 2972 . 1 1 15 LYS HZ3 H -15.116 -3.143 -8.306 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HZ3 . . . . . . . . . c19468_2md1 1 . 10 . 2973 . 1 1 15 LYS N N -14.957 3.424 -5.905 . . . 1.0 . . . . . . . . . . . . A . 15 LYS N . . . . . . . . . c19468_2md1 1 . 10 . 2974 . 1 1 15 LYS NZ N -15.037 -2.120 -8.478 . . . 1.0 . . . . . . . . . . . . A . 15 LYS NZ . . . . . . . . . c19468_2md1 1 . 10 . 2975 . 1 1 15 LYS O O -14.631 1.704 -2.971 . . . 1.0 . . . . . . . . . . . . A . 15 LYS O . . . . . . . . . c19468_2md1 1 . 10 . 2976 . 1 1 16 SER C C -13.990 3.887 -1.316 . . . 1.0 . . . . . . . . . . . . A . 16 SER C . . . . . . . . . c19468_2md1 1 . 10 . 2977 . 1 1 16 SER CA C -12.785 3.628 -2.215 . . . 1.0 . . . . . . . . . . . . A . 16 SER CA . . . . . . . . . c19468_2md1 1 . 10 . 2978 . 1 1 16 SER CB C -11.850 4.838 -2.195 . . . 1.0 . . . . . . . . . . . . A . 16 SER CB . . . . . . . . . c19468_2md1 1 . 10 . 2979 . 1 1 16 SER H H -12.823 3.851 -4.320 . . . 1.0 . . . . . . . . . . . . A . 16 SER H . . . . . . . . . c19468_2md1 1 . 10 . 2980 . 1 1 16 SER HA H -12.252 2.766 -1.843 . . . 1.0 . . . . . . . . . . . . A . 16 SER HA . . . . . . . . . c19468_2md1 1 . 10 . 2981 . 1 1 16 SER HB2 H -11.094 4.694 -1.438 . . . 1.0 . . . . . . . . . . . . A . 16 SER HB2 . . . . . . . . . c19468_2md1 1 . 10 . 2982 . 1 1 16 SER HB3 H -11.377 4.940 -3.161 . . . 1.0 . . . . . . . . . . . . A . 16 SER HB3 . . . . . . . . . c19468_2md1 1 . 10 . 2983 . 1 1 16 SER HG H -13.369 6.053 -2.427 . . . 1.0 . . . . . . . . . . . . A . 16 SER HG . . . . . . . . . c19468_2md1 1 . 10 . 2984 . 1 1 16 SER N N -13.209 3.337 -3.580 . . . 1.0 . . . . . . . . . . . . A . 16 SER N . . . . . . . . . c19468_2md1 1 . 10 . 2985 . 1 1 16 SER O O -13.955 3.610 -0.117 . . . 1.0 . . . . . . . . . . . . A . 16 SER O . . . . . . . . . c19468_2md1 1 . 10 . 2986 . 1 1 16 SER OG O -12.563 6.029 -1.907 . . . 1.0 . . . . . . . . . . . . A . 16 SER OG . . . . . . . . . c19468_2md1 1 . 10 . 2987 . 1 1 17 ARG C C -17.227 3.528 -1.176 . . . 1.0 . . . . . . . . . . . . A . 17 ARG C . . . . . . . . . c19468_2md1 1 . 10 . 2988 . 1 1 17 ARG CA C -16.272 4.718 -1.157 . . . 1.0 . . . . . . . . . . . . A . 17 ARG CA . . . . . . . . . c19468_2md1 1 . 10 . 2989 . 1 1 17 ARG CB C -16.965 5.951 -1.741 . . . 1.0 . . . . . . . . . . . . A . 17 ARG CB . . . . . . . . . c19468_2md1 1 . 10 . 2990 . 1 1 17 ARG CD C -19.440 5.655 -2.063 . . . 1.0 . . . . . . . . . . . . A . 17 ARG CD . . . . . . . . . c19468_2md1 1 . 10 . 2991 . 1 1 17 ARG CG C -18.346 6.205 -1.160 . . . 1.0 . . . . . . . . . . . . A . 17 ARG CG . . . . . . . . . c19468_2md1 1 . 10 . 2992 . 1 1 17 ARG CZ C -21.438 5.738 -0.634 . . . 1.0 . . . . . . . . . . . . A . 17 ARG CZ . . . . . . . . . c19468_2md1 1 . 10 . 2993 . 1 1 17 ARG H H -15.024 4.618 -2.864 . . . 1.0 . . . . . . . . . . . . A . 17 ARG H . . . . . . . . . c19468_2md1 1 . 10 . 2994 . 1 1 17 ARG HA H -15.992 4.924 -0.135 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HA . . . . . . . . . c19468_2md1 1 . 10 . 2995 . 1 1 17 ARG HB2 H -16.352 6.820 -1.547 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HB2 . . . . . . . . . c19468_2md1 1 . 10 . 2996 . 1 1 17 ARG HB3 H -17.065 5.822 -2.808 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HB3 . . . . . . . . . c19468_2md1 1 . 10 . 2997 . 1 1 17 ARG HD2 H -19.226 5.944 -3.082 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HD2 . . . . . . . . . c19468_2md1 1 . 10 . 2998 . 1 1 17 ARG HD3 H -19.442 4.578 -1.987 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HD3 . . . . . . . . . c19468_2md1 1 . 10 . 2999 . 1 1 17 ARG HE H -21.158 6.848 -2.267 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HE . . . . . . . . . c19468_2md1 1 . 10 . 3000 . 1 1 17 ARG HG2 H -18.416 5.724 -0.196 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HG2 . . . . . . . . . c19468_2md1 1 . 10 . 3001 . 1 1 17 ARG HG3 H -18.488 7.269 -1.045 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HG3 . . . . . . . . . c19468_2md1 1 . 10 . 3002 . 1 1 17 ARG HH11 H -20.023 4.424 -0.041 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HH11 . . . . . . . . . c19468_2md1 1 . 10 . 3003 . 1 1 17 ARG HH12 H -21.437 4.492 0.957 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HH12 . . . . . . . . . c19468_2md1 1 . 10 . 3004 . 1 1 17 ARG HH21 H -23.025 6.947 -0.959 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HH21 . . . . . . . . . c19468_2md1 1 . 10 . 3005 . 1 1 17 ARG HH22 H -23.144 5.927 0.434 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HH22 . . . . . . . . . c19468_2md1 1 . 10 . 3006 . 1 1 17 ARG N N -15.056 4.420 -1.904 . . . 1.0 . . . . . . . . . . . . A . 17 ARG N . . . . . . . . . c19468_2md1 1 . 10 . 3007 . 1 1 17 ARG NE N -20.759 6.161 -1.695 . . . 1.0 . . . . . . . . . . . . A . 17 ARG NE . . . . . . . . . c19468_2md1 1 . 10 . 3008 . 1 1 17 ARG NH1 N -20.924 4.808 0.159 . . . 1.0 . . . . . . . . . . . . A . 17 ARG NH1 . . . . . . . . . c19468_2md1 1 . 10 . 3009 . 1 1 17 ARG NH2 N -22.634 6.246 -0.364 . . . 1.0 . . . . . . . . . . . . A . 17 ARG NH2 . . . . . . . . . c19468_2md1 1 . 10 . 3010 . 1 1 17 ARG O O -17.198 2.711 -2.096 . . . 1.0 . . . . . . . . . . . . A . 17 ARG O . . . . . . . . . c19468_2md1 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 c19468_2md1 _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 2md1.mr . . 'MR format' 1 comment 'Not applicable' 'Not applicable' 0 c19468_2md1 1 1 2md1.mr . . DYANA/DIANA 2 distance NOE simple 145 c19468_2md1 1 1 2md1.mr . . DYANA/DIANA 3 'dihedral angle' 'Not applicable' 'Not applicable' 32 c19468_2md1 1 1 2md1.mr . . 'MR format' 4 'nomenclature mapping' 'Not applicable' 'Not applicable' 0 c19468_2md1 1 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode DYANA/DIANA_distance_constraints_2 _Gen_dist_constraint_list.Entry_ID c19468_2md1 _Gen_dist_constraint_list.ID 1 _Gen_dist_constraint_list.Constraint_type NOE _Gen_dist_constraint_list.Details 'Generated by Wattos' _Gen_dist_constraint_list.Constraint_file_ID 1 _Gen_dist_constraint_list.Block_ID 2 loop_ _Gen_dist_constraint_software.Software_ID _Gen_dist_constraint_software.Software_label _Gen_dist_constraint_software.Method_ID _Gen_dist_constraint_software.Method_label _Gen_dist_constraint_software.Entry_ID _Gen_dist_constraint_software.Gen_dist_constraint_list_ID . . . . c19468_2md1 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 1 1 TRP HA H . . . 1 1 2 2 LYS H H . . . . . . . 3.5 . . . . . A . 1 TRP HA . . A . 2 LYS H . . . 1 TRP HA . . . . . 2 LYS H . . c19468_2md1 1 2 1 OR . 1 1 2 2 LYS H H . . . 1 1 1 1 TRP HB2 H . . . . . . . 3.7 . . . . . A . 2 LYS H . . A . 1 TRP HB2 . . . 2 LYS H . . . . . 1 TRP QB . . c19468_2md1 1 2 2 OR . 1 1 2 2 LYS H H . . . 1 1 1 1 TRP HB3 H . . . . . . . 3.7 . . . . . A . 2 LYS H . . A . 1 TRP HB3 . . . 2 LYS H . . . . . 1 TRP QB . . c19468_2md1 1 3 1 OR . 1 1 1 1 TRP H1 H . . . 1 1 1 1 TRP HB2 H . . . . . . . 3.5 . . . . . A . 1 TRP H1 . . A . 1 TRP HB2 . . . 1 TRP H . . . . . 1 TRP QB . . c19468_2md1 1 3 2 OR . 1 1 1 1 TRP HB3 H . . . 1 1 1 1 TRP H1 H . . . . . . . 3.5 . . . . . A . 1 TRP HB3 . . A . 1 TRP H1 . . . 1 TRP QB . . . . . 1 TRP H . . c19468_2md1 1 4 1 . . 1 1 1 1 TRP HA H . . . 1 1 3 3 LEU H H . . . . . . . 4.4 . . . . . A . 1 TRP HA . . A . 3 LEU H . . . 1 TRP HA . . . . . 3 LEU H . . c19468_2md1 1 5 1 . . 1 1 1 1 TRP HA H . . . 1 1 4 4 LEU H H . . . . . . . 4.2 . . . . . A . 1 TRP HA . . A . 4 LEU H . . . 1 TRP HA . . . . . 4 LEU H . . c19468_2md1 1 6 1 . . 1 1 1 1 TRP HA H . . . 1 1 5 5 SER H H . . . . . . . 4.6 . . . . . A . 1 TRP HA . . A . 5 SER H . . . 1 TRP HA . . . . . 5 SER H . . c19468_2md1 1 7 1 OR . 1 1 2 2 LYS H H . . . 1 1 2 2 LYS HB2 H . . . . . . . 3.8 . . . . . A . 2 LYS H . . A . 2 LYS HB2 . . . 2 LYS H . . . . . 2 LYS QB . . c19468_2md1 1 7 2 OR . 1 1 2 2 LYS H H . . . 1 1 2 2 LYS HB3 H . . . . . . . 3.8 . . . . . A . 2 LYS H . . A . 2 LYS HB3 . . . 2 LYS H . . . . . 2 LYS QB . . c19468_2md1 1 8 1 OR . 1 1 2 2 LYS H H . . . 1 1 2 2 LYS HD2 H . . . . . . . 4.0 . . . . . A . 2 LYS H . . A . 2 LYS HD2 . . . 2 LYS H . . . . . 2 LYS QD . . c19468_2md1 1 8 2 OR . 1 1 2 2 LYS H H . . . 1 1 2 2 LYS HD3 H . . . . . . . 4.0 . . . . . A . 2 LYS H . . A . 2 LYS HD3 . . . 2 LYS H . . . . . 2 LYS QD . . c19468_2md1 1 9 1 OR . 1 1 2 2 LYS H H . . . 1 1 2 2 LYS HG2 H . . . . . . . 3.8 . . . . . A . 2 LYS H . . A . 2 LYS HG2 . . . 2 LYS H . . . . . 2 LYS QG . . c19468_2md1 1 9 2 OR . 1 1 2 2 LYS H H . . . 1 1 2 2 LYS HG3 H . . . . . . . 3.8 . . . . . A . 2 LYS H . . A . 2 LYS HG3 . . . 2 LYS H . . . . . 2 LYS QG . . c19468_2md1 1 10 1 . . 1 1 2 2 LYS HA H . . . 1 1 6 6 LYS H H . . . . . . . 3.8 . . . . . A . 2 LYS HA . . A . 6 LYS H . . . 2 LYS HA . . . . . 6 LYS H . . c19468_2md1 1 11 1 . . 1 1 5 5 SER H H . . . 1 1 2 2 LYS HA H . . . . . . . 3.3 . . . . . A . 5 SER H . . A . 2 LYS HA . . . 5 SER H . . . . . 2 LYS HA . . c19468_2md1 1 12 1 . . 1 1 3 3 LEU H H . . . 1 1 2 2 LYS HA H . . . . . . . 3.3 . . . . . A . 3 LEU H . . A . 2 LYS HA . . . 3 LEU H . . . . . 2 LYS HA . . c19468_2md1 1 13 1 . . 1 1 4 4 LEU H H . . . 1 1 2 2 LYS HA H . . . . . . . 4.4 . . . . . A . 4 LEU H . . A . 2 LYS HA . . . 4 LEU H . . . . . 2 LYS HA . . c19468_2md1 1 14 1 . . 1 1 5 5 SER H H . . . 1 1 2 2 LYS HA H . . . . . . . 3.3 . . . . . A . 5 SER H . . A . 2 LYS HA . . . 5 SER H . . . . . 2 LYS HA . . c19468_2md1 1 15 1 OR . 1 1 3 3 LEU H H . . . 1 1 2 2 LYS HB2 H . . . . . . . 3.6 . . . . . A . 3 LEU H . . A . 2 LYS HB2 . . . 3 LEU H . . . . . 2 LYS QB . . c19468_2md1 1 15 2 OR . 1 1 3 3 LEU H H . . . 1 1 2 2 LYS HB3 H . . . . . . . 3.6 . . . . . A . 3 LEU H . . A . 2 LYS HB3 . . . 3 LEU H . . . . . 2 LYS QB . . c19468_2md1 1 16 1 OR . 1 1 3 3 LEU H H . . . 1 1 2 2 LYS HD2 H . . . . . . . 3.9 . . . . . A . 3 LEU H . . A . 2 LYS HD2 . . . 3 LEU H . . . . . 2 LYS QD . . c19468_2md1 1 16 2 OR . 1 1 3 3 LEU H H . . . 1 1 2 2 LYS HD3 H . . . . . . . 3.9 . . . . . A . 3 LEU H . . A . 2 LYS HD3 . . . 3 LEU H . . . . . 2 LYS QD . . c19468_2md1 1 17 1 OR . 1 1 3 3 LEU H H . . . 1 1 2 2 LYS HG2 H . . . . . . . 3.8 . . . . . A . 3 LEU H . . A . 2 LYS HG2 . . . 3 LEU H . . . . . 2 LYS QG . . c19468_2md1 1 17 2 OR . 1 1 3 3 LEU H H . . . 1 1 2 2 LYS HG3 H . . . . . . . 3.8 . . . . . A . 3 LEU H . . A . 2 LYS HG3 . . . 3 LEU H . . . . . 2 LYS QG . . c19468_2md1 1 18 1 . . 1 1 4 4 LEU H H . . . 1 1 3 3 LEU HA H . . . . . . . 3.2 . . . . . A . 4 LEU H . . A . 3 LEU HA . . . 4 LEU H . . . . . 3 LEU HA . . c19468_2md1 1 19 1 . . 1 1 5 5 SER H H . . . 1 1 3 3 LEU HA H . . . . . . . 4.4 . . . . . A . 5 SER H . . A . 3 LEU HA . . . 5 SER H . . . . . 3 LEU HA . . c19468_2md1 1 20 1 . . 1 1 6 6 LYS H H . . . 1 1 3 3 LEU HA H . . . . . . . 3.8 . . . . . A . 6 LYS H . . A . 3 LEU HA . . . 6 LYS H . . . . . 3 LEU HA . . c19468_2md1 1 21 1 OR . 1 1 3 3 LEU H H . . . 1 1 3 3 LEU HB2 H . . . . . . . 3.8 . . . . . A . 3 LEU H . . A . 3 LEU HB2 . . . 3 LEU H . . . . . 3 LEU QB . . c19468_2md1 1 21 2 OR . 1 1 3 3 LEU H H . . . 1 1 3 3 LEU HB3 H . . . . . . . 3.8 . . . . . A . 3 LEU H . . A . 3 LEU HB3 . . . 3 LEU H . . . . . 3 LEU QB . . c19468_2md1 1 22 1 OR . 1 1 3 3 LEU H H . . . 1 1 3 3 LEU MD1 H . . . . . . . 4.0 . . . . . A . 3 LEU H . . A . 3 LEU MD1 . . . 3 LEU H . . . . . 3 LEU QQD . . c19468_2md1 1 22 2 OR . 1 1 3 3 LEU H H . . . 1 1 3 3 LEU MD2 H . . . . . . . 4.0 . . . . . A . 3 LEU H . . A . 3 LEU MD2 . . . 3 LEU H . . . . . 3 LEU QQD . . c19468_2md1 1 23 1 OR . 1 1 4 4 LEU H H . . . 1 1 3 3 LEU HB2 H . . . . . . . 4.0 . . . . . A . 4 LEU H . . A . 3 LEU HB2 . . . 4 LEU H . . . . . 3 LEU QB . . c19468_2md1 1 23 2 OR . 1 1 4 4 LEU H H . . . 1 1 3 3 LEU HB3 H . . . . . . . 4.0 . . . . . A . 4 LEU H . . A . 3 LEU HB3 . . . 4 LEU H . . . . . 3 LEU QB . . c19468_2md1 1 24 1 OR . 1 1 5 5 SER H H . . . 1 1 3 3 LEU HB2 H . . . . . . . 4.4 . . . . . A . 5 SER H . . A . 3 LEU HB2 . . . 5 SER H . . . . . 3 LEU QB . . c19468_2md1 1 24 2 OR . 1 1 5 5 SER H H . . . 1 1 3 3 LEU HB3 H . . . . . . . 4.4 . . . . . A . 5 SER H . . A . 3 LEU HB3 . . . 5 SER H . . . . . 3 LEU QB . . c19468_2md1 1 25 1 OR . 1 1 4 4 LEU H H . . . 1 1 3 3 LEU MD1 H . . . . . . . 4.2 . . . . . A . 4 LEU H . . A . 3 LEU MD1 . . . 4 LEU H . . . . . 3 LEU QQD . . c19468_2md1 1 25 2 OR . 1 1 4 4 LEU H H . . . 1 1 3 3 LEU MD2 H . . . . . . . 4.2 . . . . . A . 4 LEU H . . A . 3 LEU MD2 . . . 4 LEU H . . . . . 3 LEU QQD . . c19468_2md1 1 26 1 OR . 1 1 5 5 SER H H . . . 1 1 3 3 LEU MD1 H . . . . . . . 4.6 . . . . . A . 5 SER H . . A . 3 LEU MD1 . . . 5 SER H . . . . . 3 LEU QQD . . c19468_2md1 1 26 2 OR . 1 1 5 5 SER H H . . . 1 1 3 3 LEU MD2 H . . . . . . . 4.6 . . . . . A . 5 SER H . . A . 3 LEU MD2 . . . 5 SER H . . . . . 3 LEU QQD . . c19468_2md1 1 27 1 OR . 1 1 6 6 LYS H H . . . 1 1 3 3 LEU MD1 H . . . . . . . 4.2 . . . . . A . 6 LYS H . . A . 3 LEU MD1 . . . 6 LYS H . . . . . 3 LEU QQD . . c19468_2md1 1 27 2 OR . 1 1 6 6 LYS H H . . . 1 1 3 3 LEU MD2 H . . . . . . . 4.2 . . . . . A . 6 LYS H . . A . 3 LEU MD2 . . . 6 LYS H . . . . . 3 LEU QQD . . c19468_2md1 1 28 1 OR . 1 1 7 7 ALA H H . . . 1 1 3 3 LEU MD1 H . . . . . . . 4.2 . . . . . A . 7 ALA H . . A . 3 LEU MD1 . . . 7 ALA H . . . . . 3 LEU QQD . . c19468_2md1 1 28 2 OR . 1 1 3 3 LEU MD2 H . . . 1 1 7 7 ALA H H . . . . . . . 4.2 . . . . . A . 3 LEU MD2 . . A . 7 ALA H . . . 3 LEU QQD . . . . . 7 ALA H . . c19468_2md1 1 29 1 . . 1 1 5 5 SER H H . . . 1 1 4 4 LEU HA H . . . . . . . 3.3 . . . . . A . 5 SER H . . A . 4 LEU HA . . . 5 SER H . . . . . 4 LEU HA . . c19468_2md1 1 30 1 . . 1 1 6 6 LYS H H . . . 1 1 4 4 LEU HA H . . . . . . . 3.6 . . . . . A . 6 LYS H . . A . 4 LEU HA . . . 6 LYS H . . . . . 4 LEU HA . . c19468_2md1 1 31 1 . . 1 1 7 7 ALA H H . . . 1 1 4 4 LEU HA H . . . . . . . 3.8 . . . . . A . 7 ALA H . . A . 4 LEU HA . . . 7 ALA H . . . . . 4 LEU HA . . c19468_2md1 1 32 1 OR . 1 1 4 4 LEU H H . . . 1 1 4 4 LEU HB2 H . . . . . . . 3.3 . . . . . A . 4 LEU H . . A . 4 LEU HB2 . . . 4 LEU H . . . . . 4 LEU QB . . c19468_2md1 1 32 2 OR . 1 1 4 4 LEU H H . . . 1 1 4 4 LEU HB3 H . . . . . . . 3.3 . . . . . A . 4 LEU H . . A . 4 LEU HB3 . . . 4 LEU H . . . . . 4 LEU QB . . c19468_2md1 1 33 1 OR . 1 1 4 4 LEU H H . . . 1 1 4 4 LEU MD1 H . . . . . . . 3.8 . . . . . A . 4 LEU H . . A . 4 LEU MD1 . . . 4 LEU H . . . . . 4 LEU QQD . . c19468_2md1 1 33 2 OR . 1 1 4 4 LEU H H . . . 1 1 4 4 LEU MD2 H . . . . . . . 3.8 . . . . . A . 4 LEU H . . A . 4 LEU MD2 . . . 4 LEU H . . . . . 4 LEU QQD . . c19468_2md1 1 34 1 OR . 1 1 5 5 SER H H . . . 1 1 4 4 LEU HB2 H . . . . . . . 3.3 . . . . . A . 5 SER H . . A . 4 LEU HB2 . . . 5 SER H . . . . . 4 LEU QB . . c19468_2md1 1 34 2 OR . 1 1 5 5 SER H H . . . 1 1 4 4 LEU HB3 H . . . . . . . 3.3 . . . . . A . 5 SER H . . A . 4 LEU HB3 . . . 5 SER H . . . . . 4 LEU QB . . c19468_2md1 1 35 1 OR . 1 1 6 6 LYS H H . . . 1 1 4 4 LEU HB2 H . . . . . . . 4.3 . . . . . A . 6 LYS H . . A . 4 LEU HB2 . . . 6 LYS H . . . . . 4 LEU QB . . c19468_2md1 1 35 2 OR . 1 1 6 6 LYS H H . . . 1 1 4 4 LEU HB3 H . . . . . . . 4.3 . . . . . A . 6 LYS H . . A . 4 LEU HB3 . . . 6 LYS H . . . . . 4 LEU QB . . c19468_2md1 1 36 1 OR . 1 1 5 5 SER H H . . . 1 1 4 4 LEU MD1 H . . . . . . . 4.0 . . . . . A . 5 SER H . . A . 4 LEU MD1 . . . 5 SER H . . . . . 4 LEU QQD . . c19468_2md1 1 36 2 OR . 1 1 5 5 SER H H . . . 1 1 4 4 LEU MD2 H . . . . . . . 4.0 . . . . . A . 5 SER H . . A . 4 LEU MD2 . . . 5 SER H . . . . . 4 LEU QQD . . c19468_2md1 1 37 1 OR . 1 1 6 6 LYS H H . . . 1 1 4 4 LEU MD1 H . . . . . . . 4.6 . . . . . A . 6 LYS H . . A . 4 LEU MD1 . . . 6 LYS H . . . . . 4 LEU QQD . . c19468_2md1 1 37 2 OR . 1 1 6 6 LYS H H . . . 1 1 4 4 LEU MD2 H . . . . . . . 4.6 . . . . . A . 6 LYS H . . A . 4 LEU MD2 . . . 6 LYS H . . . . . 4 LEU QQD . . c19468_2md1 1 38 1 OR . 1 1 7 7 ALA H H . . . 1 1 4 4 LEU MD1 H . . . . . . . 4.0 . . . . . A . 7 ALA H . . A . 4 LEU MD1 . . . 7 ALA H . . . . . 4 LEU QQD . . c19468_2md1 1 38 2 OR . 1 1 7 7 ALA H H . . . 1 1 4 4 LEU MD2 H . . . . . . . 4.0 . . . . . A . 7 ALA H . . A . 4 LEU MD2 . . . 7 ALA H . . . . . 4 LEU QQD . . c19468_2md1 1 39 1 OR . 1 1 8 8 GLN H H . . . 1 1 4 4 LEU MD1 H . . . . . . . 4.2 . . . . . A . 8 GLN H . . A . 4 LEU MD1 . . . 8 GLN H . . . . . 4 LEU QQD . . c19468_2md1 1 39 2 OR . 1 1 4 4 LEU MD2 H . . . 1 1 8 8 GLN H H . . . . . . . 4.2 . . . . . A . 4 LEU MD2 . . A . 8 GLN H . . . 4 LEU QQD . . . . . 8 GLN H . . c19468_2md1 1 40 1 . . 1 1 6 6 LYS H H . . . 1 1 5 5 SER HA H . . . . . . . 3.3 . . . . . A . 6 LYS H . . A . 5 SER HA . . . 6 LYS H . . . . . 5 SER HA . . c19468_2md1 1 41 1 . . 1 1 7 7 ALA H H . . . 1 1 5 5 SER HA H . . . . . . . 4.4 . . . . . A . 7 ALA H . . A . 5 SER HA . . . 7 ALA H . . . . . 5 SER HA . . c19468_2md1 1 42 1 . . 1 1 8 8 GLN H H . . . 1 1 5 5 SER HA H . . . . . . . 3.3 . . . . . A . 8 GLN H . . A . 5 SER HA . . . 8 GLN H . . . . . 5 SER HA . . c19468_2md1 1 43 1 . . 1 1 5 5 SER HA H . . . 1 1 9 9 GLU H H . . . . . . . 3.5 . . . . . A . 5 SER HA . . A . 9 GLU H . . . 5 SER HA . . . . . 9 GLU H . . c19468_2md1 1 44 1 OR . 1 1 5 5 SER H H . . . 1 1 5 5 SER HB2 H . . . . . . . 3.3 . . . . . A . 5 SER H . . A . 5 SER HB2 . . . 5 SER H . . . . . 5 SER QB . . c19468_2md1 1 44 2 OR . 1 1 5 5 SER H H . . . 1 1 5 5 SER HB3 H . . . . . . . 3.3 . . . . . A . 5 SER H . . A . 5 SER HB3 . . . 5 SER H . . . . . 5 SER QB . . c19468_2md1 1 45 1 OR . 1 1 6 6 LYS H H . . . 1 1 5 5 SER HB2 H . . . . . . . 3.3 . . . . . A . 6 LYS H . . A . 5 SER HB2 . . . 6 LYS H . . . . . 5 SER QB . . c19468_2md1 1 45 2 OR . 1 1 6 6 LYS H H . . . 1 1 5 5 SER HB3 H . . . . . . . 3.3 . . . . . A . 6 LYS H . . A . 5 SER HB3 . . . 6 LYS H . . . . . 5 SER QB . . c19468_2md1 1 46 1 OR . 1 1 7 7 ALA H H . . . 1 1 5 5 SER HB2 H . . . . . . . 4.5 . . . . . A . 7 ALA H . . A . 5 SER HB2 . . . 7 ALA H . . . . . 5 SER QB . . c19468_2md1 1 46 2 OR . 1 1 7 7 ALA H H . . . 1 1 5 5 SER HB3 H . . . . . . . 4.5 . . . . . A . 7 ALA H . . A . 5 SER HB3 . . . 7 ALA H . . . . . 5 SER QB . . c19468_2md1 1 47 1 OR . 1 1 8 8 GLN H H . . . 1 1 5 5 SER HB2 H . . . . . . . 4.8 . . . . . A . 8 GLN H . . A . 5 SER HB2 . . . 8 GLN H . . . . . 5 SER QB . . c19468_2md1 1 47 2 OR . 1 1 8 8 GLN H H . . . 1 1 5 5 SER HB3 H . . . . . . . 4.8 . . . . . A . 8 GLN H . . A . 5 SER HB3 . . . 8 GLN H . . . . . 5 SER QB . . c19468_2md1 1 48 1 . . 1 1 7 7 ALA H H . . . 1 1 6 6 LYS HA H . . . . . . . 3.3 . . . . . A . 7 ALA H . . A . 6 LYS HA . . . 7 ALA H . . . . . 6 LYS HA . . c19468_2md1 1 49 1 . . 1 1 8 8 GLN H H . . . 1 1 6 6 LYS HA H . . . . . . . 3.6 . . . . . A . 8 GLN H . . A . 6 LYS HA . . . 8 GLN H . . . . . 6 LYS HA . . c19468_2md1 1 50 1 . . 1 1 9 9 GLU H H . . . 1 1 6 6 LYS HA H . . . . . . . 3.8 . . . . . A . 9 GLU H . . A . 6 LYS HA . . . 9 GLU H . . . . . 6 LYS HA . . c19468_2md1 1 51 1 OR . 1 1 6 6 LYS H H . . . 1 1 6 6 LYS HB2 H . . . . . . . 3.3 . . . . . A . 6 LYS H . . A . 6 LYS HB2 . . . 6 LYS H . . . . . 6 LYS QB . . c19468_2md1 1 51 2 OR . 1 1 6 6 LYS H H . . . 1 1 6 6 LYS HB3 H . . . . . . . 3.3 . . . . . A . 6 LYS H . . A . 6 LYS HB3 . . . 6 LYS H . . . . . 6 LYS QB . . c19468_2md1 1 52 1 OR . 1 1 6 6 LYS H H . . . 1 1 6 6 LYS HD2 H . . . . . . . 3.8 . . . . . A . 6 LYS H . . A . 6 LYS HD2 . . . 6 LYS H . . . . . 6 LYS QD . . c19468_2md1 1 52 2 OR . 1 1 6 6 LYS H H . . . 1 1 6 6 LYS HD3 H . . . . . . . 3.8 . . . . . A . 6 LYS H . . A . 6 LYS HD3 . . . 6 LYS H . . . . . 6 LYS QD . . c19468_2md1 1 53 1 OR . 1 1 6 6 LYS H H . . . 1 1 6 6 LYS HG2 H . . . . . . . 4.0 . . . . . A . 6 LYS H . . A . 6 LYS HG2 . . . 6 LYS H . . . . . 6 LYS QG . . c19468_2md1 1 53 2 OR . 1 1 6 6 LYS H H . . . 1 1 6 6 LYS HG3 H . . . . . . . 4.0 . . . . . A . 6 LYS H . . A . 6 LYS HG3 . . . 6 LYS H . . . . . 6 LYS QG . . c19468_2md1 1 54 1 OR . 1 1 7 7 ALA H H . . . 1 1 6 6 LYS HD2 H . . . . . . . 4.0 . . . . . A . 7 ALA H . . A . 6 LYS HD2 . . . 7 ALA H . . . . . 6 LYS QD . . c19468_2md1 1 54 2 OR . 1 1 7 7 ALA H H . . . 1 1 6 6 LYS HD3 H . . . . . . . 4.0 . . . . . A . 7 ALA H . . A . 6 LYS HD3 . . . 7 ALA H . . . . . 6 LYS QD . . c19468_2md1 1 55 1 OR . 1 1 7 7 ALA H H . . . 1 1 6 6 LYS HB2 H . . . . . . . 3.5 . . . . . A . 7 ALA H . . A . 6 LYS HB2 . . . 7 ALA H . . . . . 6 LYS QB . . c19468_2md1 1 55 2 OR . 1 1 7 7 ALA H H . . . 1 1 6 6 LYS HB3 H . . . . . . . 3.5 . . . . . A . 7 ALA H . . A . 6 LYS HB3 . . . 7 ALA H . . . . . 6 LYS QB . . c19468_2md1 1 56 1 OR . 1 1 7 7 ALA H H . . . 1 1 6 6 LYS HG2 H . . . . . . . 3.6 . . . . . A . 7 ALA H . . A . 6 LYS HG2 . . . 7 ALA H . . . . . 6 LYS QG . . c19468_2md1 1 56 2 OR . 1 1 7 7 ALA H H . . . 1 1 6 6 LYS HG3 H . . . . . . . 3.6 . . . . . A . 7 ALA H . . A . 6 LYS HG3 . . . 7 ALA H . . . . . 6 LYS QG . . c19468_2md1 1 57 1 . . 1 1 8 8 GLN H H . . . 1 1 7 7 ALA HA H . . . . . . . 3.3 . . . . . A . 8 GLN H . . A . 7 ALA HA . . . 8 GLN H . . . . . 7 ALA HA . . c19468_2md1 1 58 1 . . 1 1 7 7 ALA H H . . . 1 1 7 7 ALA MB H . . . . . . . 3.3 . . . . . A . 7 ALA H . . A . 7 ALA MB . . . 7 ALA H . . . . . 7 ALA QB . . c19468_2md1 1 59 1 . . 1 1 8 8 GLN H H . . . 1 1 7 7 ALA MB H . . . . . . . 3.3 . . . . . A . 8 GLN H . . A . 7 ALA MB . . . 8 GLN H . . . . . 7 ALA QB . . c19468_2md1 1 60 1 . . 1 1 9 9 GLU H H . . . 1 1 7 7 ALA MB H . . . . . . . 4.4 . . . . . A . 9 GLU H . . A . 7 ALA MB . . . 9 GLU H . . . . . 7 ALA QB . . c19468_2md1 1 61 1 . . 1 1 9 9 GLU H H . . . 1 1 8 8 GLN HA H . . . . . . . 3.3 . . . . . A . 9 GLU H . . A . 8 GLN HA . . . 9 GLU H . . . . . 8 GLN HA . . c19468_2md1 1 62 1 OR . 1 1 8 8 GLN H H . . . 1 1 8 8 GLN HB2 H . . . . . . . 3.3 . . . . . A . 8 GLN H . . A . 8 GLN HB2 . . . 8 GLN H . . . . . 8 GLN QB . . c19468_2md1 1 62 2 OR . 1 1 8 8 GLN H H . . . 1 1 8 8 GLN HB3 H . . . . . . . 3.3 . . . . . A . 8 GLN H . . A . 8 GLN HB3 . . . 8 GLN H . . . . . 8 GLN QB . . c19468_2md1 1 63 1 OR . 1 1 9 9 GLU H H . . . 1 1 8 8 GLN HB2 H . . . . . . . 3.3 . . . . . A . 9 GLU H . . A . 8 GLN HB2 . . . 9 GLU H . . . . . 8 GLN QB . . c19468_2md1 1 63 2 OR . 1 1 9 9 GLU H H . . . 1 1 8 8 GLN HB3 H . . . . . . . 3.3 . . . . . A . 9 GLU H . . A . 8 GLN HB3 . . . 9 GLU H . . . . . 8 GLN QB . . c19468_2md1 1 64 1 OR . 1 1 8 8 GLN H H . . . 1 1 8 8 GLN HG2 H . . . . . . . 3.8 . . . . . A . 8 GLN H . . A . 8 GLN HG2 . . . 8 GLN H . . . . . 8 GLN QG . . c19468_2md1 1 64 2 OR . 1 1 8 8 GLN H H . . . 1 1 8 8 GLN HG3 H . . . . . . . 3.8 . . . . . A . 8 GLN H . . A . 8 GLN HG3 . . . 8 GLN H . . . . . 8 GLN QG . . c19468_2md1 1 65 1 OR . 1 1 9 9 GLU H H . . . 1 1 8 8 GLN HG2 H . . . . . . . 4.0 . . . . . A . 9 GLU H . . A . 8 GLN HG2 . . . 9 GLU H . . . . . 8 GLN QG . . c19468_2md1 1 65 2 OR . 1 1 9 9 GLU H H . . . 1 1 8 8 GLN HG3 H . . . . . . . 4.0 . . . . . A . 9 GLU H . . A . 8 GLN HG3 . . . 9 GLU H . . . . . 8 GLN QG . . c19468_2md1 1 66 1 . . 1 1 8 8 GLN HA H . . . 1 1 11 11 PHE H H . . . . . . . 4.0 . . . . . A . 8 GLN HA . . A . 11 PHE H . . . 8 GLN HA . . . . . 11 PHE H . . c19468_2md1 1 67 1 . . 1 1 9 9 GLU HA H . . . 1 1 10 10 LYS H H . . . . . . . 3.4 . . . . . A . 9 GLU HA . . A . 10 LYS H . . . 9 GLU HA . . . . . 10 LYS H . . c19468_2md1 1 68 1 . . 1 1 11 11 PHE H H . . . 1 1 9 9 GLU HA H . . . . . . . 4.4 . . . . . A . 11 PHE H . . A . 9 GLU HA . . . 11 PHE H . . . . . 9 GLU HA . . c19468_2md1 1 69 1 OR . 1 1 9 9 GLU H H . . . 1 1 9 9 GLU HB2 H . . . . . . . 3.8 . . . . . A . 9 GLU H . . A . 9 GLU HB2 . . . 9 GLU H . . . . . 9 GLU QB . . c19468_2md1 1 69 2 OR . 1 1 9 9 GLU H H . . . 1 1 9 9 GLU HB3 H . . . . . . . 3.8 . . . . . A . 9 GLU H . . A . 9 GLU HB3 . . . 9 GLU H . . . . . 9 GLU QB . . c19468_2md1 1 70 1 OR . 1 1 9 9 GLU H H . . . 1 1 9 9 GLU HG2 H . . . . . . . 4.1 . . . . . A . 9 GLU H . . A . 9 GLU HG2 . . . 9 GLU H . . . . . 9 GLU QG . . c19468_2md1 1 70 2 OR . 1 1 9 9 GLU H H . . . 1 1 9 9 GLU HG3 H . . . . . . . 4.1 . . . . . A . 9 GLU H . . A . 9 GLU HG3 . . . 9 GLU H . . . . . 9 GLU QG . . c19468_2md1 1 71 1 OR . 1 1 10 10 LYS H H . . . 1 1 9 9 GLU HB2 H . . . . . . . 3.8 . . . . . A . 10 LYS H . . A . 9 GLU HB2 . . . 10 LYS H . . . . . 9 GLU QB . . c19468_2md1 1 71 2 OR . 1 1 10 10 LYS H H . . . 1 1 9 9 GLU HB3 H . . . . . . . 3.8 . . . . . A . 10 LYS H . . A . 9 GLU HB3 . . . 10 LYS H . . . . . 9 GLU QB . . c19468_2md1 1 72 1 OR . 1 1 10 10 LYS H H . . . 1 1 9 9 GLU HG2 H . . . . . . . 4.1 . . . . . A . 10 LYS H . . A . 9 GLU HG2 . . . 10 LYS H . . . . . 9 GLU QG . . c19468_2md1 1 72 2 OR . 1 1 10 10 LYS H H . . . 1 1 9 9 GLU HG3 H . . . . . . . 4.1 . . . . . A . 10 LYS H . . A . 9 GLU HG3 . . . 10 LYS H . . . . . 9 GLU QG . . c19468_2md1 1 73 1 OR . 1 1 11 11 PHE H H . . . 1 1 9 9 GLU HB2 H . . . . . . . 4.4 . . . . . A . 11 PHE H . . A . 9 GLU HB2 . . . 11 PHE H . . . . . 9 GLU QB . . c19468_2md1 1 73 2 OR . 1 1 11 11 PHE H H . . . 1 1 9 9 GLU HB3 H . . . . . . . 4.4 . . . . . A . 11 PHE H . . A . 9 GLU HB3 . . . 11 PHE H . . . . . 9 GLU QB . . c19468_2md1 1 74 1 OR . 1 1 11 11 PHE H H . . . 1 1 9 9 GLU HG2 H . . . . . . . 4.4 . . . . . A . 11 PHE H . . A . 9 GLU HG2 . . . 11 PHE H . . . . . 9 GLU QG . . c19468_2md1 1 74 2 OR . 1 1 11 11 PHE H H . . . 1 1 9 9 GLU HG3 H . . . . . . . 4.4 . . . . . A . 11 PHE H . . A . 9 GLU HG3 . . . 11 PHE H . . . . . 9 GLU QG . . c19468_2md1 1 75 1 OR . 1 1 10 10 LYS H H . . . 1 1 10 10 LYS HB2 H . . . . . . . 3.3 . . . . . A . 10 LYS H . . A . 10 LYS HB2 . . . 10 LYS H . . . . . 10 LYS QB . . c19468_2md1 1 75 2 OR . 1 1 10 10 LYS H H . . . 1 1 10 10 LYS HB3 H . . . . . . . 3.3 . . . . . A . 10 LYS H . . A . 10 LYS HB3 . . . 10 LYS H . . . . . 10 LYS QB . . c19468_2md1 1 76 1 OR . 1 1 10 10 LYS H H . . . 1 1 10 10 LYS HG2 H . . . . . . . 3.8 . . . . . A . 10 LYS H . . A . 10 LYS HG2 . . . 10 LYS H . . . . . 10 LYS QG . . c19468_2md1 1 76 2 OR . 1 1 10 10 LYS H H . . . 1 1 10 10 LYS HG3 H . . . . . . . 3.8 . . . . . A . 10 LYS H . . A . 10 LYS HG3 . . . 10 LYS H . . . . . 10 LYS QG . . c19468_2md1 1 77 1 OR . 1 1 10 10 LYS H H . . . 1 1 10 10 LYS HD2 H . . . . . . . 4.0 . . . . . A . 10 LYS H . . A . 10 LYS HD2 . . . 10 LYS H . . . . . 10 LYS QD . . c19468_2md1 1 77 2 OR . 1 1 10 10 LYS H H . . . 1 1 10 10 LYS HD3 H . . . . . . . 4.0 . . . . . A . 10 LYS H . . A . 10 LYS HD3 . . . 10 LYS H . . . . . 10 LYS QD . . c19468_2md1 1 78 1 . . 1 1 11 11 PHE H H . . . 1 1 10 10 LYS HA H . . . . . . . 3.0 . . . . . A . 11 PHE H . . A . 10 LYS HA . . . 11 PHE H . . . . . 10 LYS HA . . c19468_2md1 1 79 1 OR . 1 1 11 11 PHE H H . . . 1 1 11 11 PHE HB2 H . . . . . . . 3.3 . . . . . A . 11 PHE H . . A . 11 PHE HB2 . . . 11 PHE H . . . . . 11 PHE QB . . c19468_2md1 1 79 2 OR . 1 1 11 11 PHE H H . . . 1 1 11 11 PHE HB3 H . . . . . . . 3.3 . . . . . A . 11 PHE H . . A . 11 PHE HB3 . . . 11 PHE H . . . . . 11 PHE QB . . c19468_2md1 1 80 1 . . 1 1 11 11 PHE HA H . . . 1 1 12 12 GLY H H . . . . . . . 3.5 . . . . . A . 11 PHE HA . . A . 12 GLY H . . . 11 PHE HA . . . . . 12 GLY H . . c19468_2md1 1 81 1 OR . 1 1 13 13 LYS H H . . . 1 1 13 13 LYS HB2 H . . . . . . . 3.3 . . . . . A . 13 LYS H . . A . 13 LYS HB2 . . . 13 LYS H . . . . . 13 LYS QB . . c19468_2md1 1 81 2 OR . 1 1 13 13 LYS H H . . . 1 1 13 13 LYS HB3 H . . . . . . . 3.3 . . . . . A . 13 LYS H . . A . 13 LYS HB3 . . . 13 LYS H . . . . . 13 LYS QB . . c19468_2md1 1 82 1 OR . 1 1 13 13 LYS H H . . . 1 1 13 13 LYS HD2 H . . . . . . . 3.8 . . . . . A . 13 LYS H . . A . 13 LYS HD2 . . . 13 LYS H . . . . . 13 LYS QD . . c19468_2md1 1 82 2 OR . 1 1 13 13 LYS H H . . . 1 1 13 13 LYS HD3 H . . . . . . . 3.8 . . . . . A . 13 LYS H . . A . 13 LYS HD3 . . . 13 LYS H . . . . . 13 LYS QD . . c19468_2md1 1 83 1 OR . 1 1 13 13 LYS H H . . . 1 1 13 13 LYS HG2 H . . . . . . . 4.0 . . . . . A . 13 LYS H . . A . 13 LYS HG2 . . . 13 LYS H . . . . . 13 LYS QG . . c19468_2md1 1 83 2 OR . 1 1 13 13 LYS H H . . . 1 1 13 13 LYS HG3 H . . . . . . . 4.0 . . . . . A . 13 LYS H . . A . 13 LYS HG3 . . . 13 LYS H . . . . . 13 LYS QG . . c19468_2md1 1 84 1 . . 1 1 13 13 LYS HA H . . . 1 1 14 14 ASN H H . . . . . . . 3.3 . . . . . A . 13 LYS HA . . A . 14 ASN H . . . 13 LYS HA . . . . . 14 ASN H . . c19468_2md1 1 85 1 OR . 1 1 14 14 ASN H H . . . 1 1 13 13 LYS HB2 H . . . . . . . 3.3 . . . . . A . 14 ASN H . . A . 13 LYS HB2 . . . 14 ASN H . . . . . 13 LYS QB . . c19468_2md1 1 85 2 OR . 1 1 13 13 LYS HB3 H . . . 1 1 14 14 ASN H H . . . . . . . 3.3 . . . . . A . 13 LYS HB3 . . A . 14 ASN H . . . 13 LYS QB . . . . . 14 ASN H . . c19468_2md1 1 86 1 OR . 1 1 14 14 ASN H H . . . 1 1 13 13 LYS HD2 H . . . . . . . 3.8 . . . . . A . 14 ASN H . . A . 13 LYS HD2 . . . 14 ASN H . . . . . 13 LYS QD . . c19468_2md1 1 86 2 OR . 1 1 13 13 LYS HD3 H . . . 1 1 14 14 ASN H H . . . . . . . 3.8 . . . . . A . 13 LYS HD3 . . A . 14 ASN H . . . 13 LYS QD . . . . . 14 ASN H . . c19468_2md1 1 87 1 OR . 1 1 14 14 ASN H H . . . 1 1 13 13 LYS HG2 H . . . . . . . 4.0 . . . . . A . 14 ASN H . . A . 13 LYS HG2 . . . 14 ASN H . . . . . 13 LYS QG . . c19468_2md1 1 87 2 OR . 1 1 13 13 LYS HG3 H . . . 1 1 14 14 ASN H H . . . . . . . 4.0 . . . . . A . 13 LYS HG3 . . A . 14 ASN H . . . 13 LYS QG . . . . . 14 ASN H . . c19468_2md1 1 88 1 . . 1 1 14 14 ASN HA H . . . 1 1 15 15 LYS H H . . . . . . . 3.4 . . . . . A . 14 ASN HA . . A . 15 LYS H . . . 14 ASN HA . . . . . 15 LYS H . . c19468_2md1 1 89 1 OR . 1 1 14 14 ASN H H . . . 1 1 14 14 ASN HB2 H . . . . . . . 3.8 . . . . . A . 14 ASN H . . A . 14 ASN HB2 . . . 14 ASN H . . . . . 14 ASN QB . . c19468_2md1 1 89 2 OR . 1 1 14 14 ASN H H . . . 1 1 14 14 ASN HB3 H . . . . . . . 3.8 . . . . . A . 14 ASN H . . A . 14 ASN HB3 . . . 14 ASN H . . . . . 14 ASN QB . . c19468_2md1 1 90 1 OR . 1 1 15 15 LYS H H . . . 1 1 15 15 LYS HB2 H . . . . . . . 3.3 . . . . . A . 15 LYS H . . A . 15 LYS HB2 . . . 15 LYS H . . . . . 15 LYS QB . . c19468_2md1 1 90 2 OR . 1 1 15 15 LYS H H . . . 1 1 15 15 LYS HB3 H . . . . . . . 3.3 . . . . . A . 15 LYS H . . A . 15 LYS HB3 . . . 15 LYS H . . . . . 15 LYS QB . . c19468_2md1 1 91 1 OR . 1 1 15 15 LYS H H . . . 1 1 15 15 LYS HD2 H . . . . . . . 3.8 . . . . . A . 15 LYS H . . A . 15 LYS HD2 . . . 15 LYS H . . . . . 15 LYS QD . . c19468_2md1 1 91 2 OR . 1 1 15 15 LYS H H . . . 1 1 15 15 LYS HD3 H . . . . . . . 3.8 . . . . . A . 15 LYS H . . A . 15 LYS HD3 . . . 15 LYS H . . . . . 15 LYS QD . . c19468_2md1 1 92 1 OR . 1 1 15 15 LYS H H . . . 1 1 15 15 LYS HG2 H . . . . . . . 4.0 . . . . . A . 15 LYS H . . A . 15 LYS HG2 . . . 15 LYS H . . . . . 15 LYS QG . . c19468_2md1 1 92 2 OR . 1 1 15 15 LYS H H . . . 1 1 15 15 LYS HG3 H . . . . . . . 4.0 . . . . . A . 15 LYS H . . A . 15 LYS HG3 . . . 15 LYS H . . . . . 15 LYS QG . . c19468_2md1 1 93 1 . . 1 1 15 15 LYS HA H . . . 1 1 16 16 SER H H . . . . . . . 3.6 . . . . . A . 15 LYS HA . . A . 16 SER H . . . 15 LYS HA . . . . . 16 SER H . . c19468_2md1 1 94 1 . . 1 1 16 16 SER HA H . . . 1 1 17 17 ARG H H . . . . . . . 3.6 . . . . . A . 16 SER HA . . A . 17 ARG H . . . 16 SER HA . . . . . 17 ARG H . . c19468_2md1 1 95 1 OR . 1 1 16 16 SER H H . . . 1 1 16 16 SER HB2 H . . . . . . . 3.8 . . . . . A . 16 SER H . . A . 16 SER HB2 . . . 16 SER H . . . . . 16 SER QB . . c19468_2md1 1 95 2 OR . 1 1 16 16 SER H H . . . 1 1 16 16 SER HB3 H . . . . . . . 3.8 . . . . . A . 16 SER H . . A . 16 SER HB3 . . . 16 SER H . . . . . 16 SER QB . . c19468_2md1 1 96 1 OR . 1 1 17 17 ARG H H . . . 1 1 17 17 ARG HB2 H . . . . . . . 3.8 . . . . . A . 17 ARG H . . A . 17 ARG HB2 . . . 17 ARG H . . . . . 17 ARG QB . . c19468_2md1 1 96 2 OR . 1 1 17 17 ARG H H . . . 1 1 17 17 ARG HB3 H . . . . . . . 3.8 . . . . . A . 17 ARG H . . A . 17 ARG HB3 . . . 17 ARG H . . . . . 17 ARG QB . . c19468_2md1 1 97 1 OR . 1 1 17 17 ARG H H . . . 1 1 17 17 ARG HD2 H . . . . . . . 4.0 . . . . . A . 17 ARG H . . A . 17 ARG HD2 . . . 17 ARG H . . . . . 17 ARG QD . . c19468_2md1 1 97 2 OR . 1 1 17 17 ARG H H . . . 1 1 17 17 ARG HD3 H . . . . . . . 4.0 . . . . . A . 17 ARG H . . A . 17 ARG HD3 . . . 17 ARG H . . . . . 17 ARG QD . . c19468_2md1 1 98 1 . . 1 1 2 2 LYS H H . . . 1 1 3 3 LEU H H . . . . . . . 2.8 . . . . . A . 2 LYS H . . A . 3 LEU H . . . 2 LYS H . . . . . 3 LEU H . . c19468_2md1 1 99 1 . . 1 1 3 3 LEU H H . . . 1 1 4 4 LEU H H . . . . . . . 2.8 . . . . . A . 3 LEU H . . A . 4 LEU H . . . 3 LEU H . . . . . 4 LEU H . . c19468_2md1 1 100 1 . . 1 1 4 4 LEU H H . . . 1 1 5 5 SER H H . . . . . . . 2.8 . . . . . A . 4 LEU H . . A . 5 SER H . . . 4 LEU H . . . . . 5 SER H . . c19468_2md1 1 101 1 . . 1 1 5 5 SER H H . . . 1 1 6 6 LYS H H . . . . . . . 2.8 . . . . . A . 5 SER H . . A . 6 LYS H . . . 5 SER H . . . . . 6 LYS H . . c19468_2md1 1 102 1 . . 1 1 6 6 LYS H H . . . 1 1 7 7 ALA H H . . . . . . . 2.8 . . . . . A . 6 LYS H . . A . 7 ALA H . . . 6 LYS H . . . . . 7 ALA H . . c19468_2md1 1 103 1 . . 1 1 7 7 ALA H H . . . 1 1 8 8 GLN H H . . . . . . . 2.8 . . . . . A . 7 ALA H . . A . 8 GLN H . . . 7 ALA H . . . . . 8 GLN H . . c19468_2md1 1 104 1 . . 1 1 8 8 GLN H H . . . 1 1 9 9 GLU H H . . . . . . . 2.8 . . . . . A . 8 GLN H . . A . 9 GLU H . . . 8 GLN H . . . . . 9 GLU H . . c19468_2md1 1 105 1 . . 1 1 9 9 GLU H H . . . 1 1 10 10 LYS H H . . . . . . . 2.8 . . . . . A . 9 GLU H . . A . 10 LYS H . . . 9 GLU H . . . . . 10 LYS H . . c19468_2md1 1 106 1 . . 1 1 11 11 PHE H H . . . 1 1 10 10 LYS H H . . . . . . . 2.8 . . . . . A . 11 PHE H . . A . 10 LYS H . . . 11 PHE H . . . . . 10 LYS H . . c19468_2md1 1 107 1 . . 1 1 11 11 PHE H H . . . 1 1 12 12 GLY H H . . . . . . . 3.5 . . . . . A . 11 PHE H . . A . 12 GLY H . . . 11 PHE H . . . . . 12 GLY H . . c19468_2md1 1 108 1 . . 1 1 12 12 GLY H H . . . 1 1 13 13 LYS H H . . . . . . . 3.5 . . . . . A . 12 GLY H . . A . 13 LYS H . . . 12 GLY H . . . . . 13 LYS H . . c19468_2md1 1 109 1 . . 1 1 13 13 LYS H H . . . 1 1 14 14 ASN H H . . . . . . . 3.5 . . . . . A . 13 LYS H . . A . 14 ASN H . . . 13 LYS H . . . . . 14 ASN H . . c19468_2md1 1 110 1 . . 1 1 14 14 ASN H H . . . 1 1 15 15 LYS H H . . . . . . . 3.5 . . . . . A . 14 ASN H . . A . 15 LYS H . . . 14 ASN H . . . . . 15 LYS H . . c19468_2md1 1 111 1 . . 1 1 15 15 LYS H H . . . 1 1 16 16 SER H H . . . . . . . 3.5 . . . . . A . 15 LYS H . . A . 16 SER H . . . 15 LYS H . . . . . 16 SER H . . c19468_2md1 1 112 1 . . 1 1 16 16 SER H H . . . 1 1 17 17 ARG H H . . . . . . . 3.5 . . . . . A . 16 SER H . . A . 17 ARG H . . . 16 SER H . . . . . 17 ARG H . . c19468_2md1 1 113 1 . . 1 1 1 1 TRP HE1 H . . . 1 1 1 1 TRP HZ2 H . . . . . . . 4.0 . . . . . A . 1 TRP HE1 . . A . 1 TRP HZ2 . . . 1 TRP HE1 . . . . . 1 TRP HZ2 . . c19468_2md1 1 114 1 . . 1 1 1 1 TRP HE1 H . . . 1 1 1 1 TRP HD1 H . . . . . . . 4.0 . . . . . A . 1 TRP HE1 . . A . 1 TRP HD1 . . . 1 TRP HE1 . . . . . 1 TRP HD1 . . c19468_2md1 1 115 1 . . 1 1 3 3 LEU H H . . . 1 1 1 1 TRP HE1 H . . . . . . . 4.2 . . . . . A . 3 LEU H . . A . 1 TRP HE1 . . . 3 LEU H . . . . . 1 TRP HE1 . . c19468_2md1 1 116 1 OR . 1 1 1 1 TRP HE1 H . . . 1 1 3 3 LEU HB2 H . . . . . . . 4.0 . . . . . A . 1 TRP HE1 . . A . 3 LEU HB2 . . . 1 TRP HE1 . . . . . 3 LEU QB . . c19468_2md1 1 116 2 OR . 1 1 3 3 LEU HB3 H . . . 1 1 1 1 TRP HE1 H . . . . . . . 4.0 . . . . . A . 3 LEU HB3 . . A . 1 TRP HE1 . . . 3 LEU QB . . . . . 1 TRP HE1 . . c19468_2md1 1 117 1 OR . 1 1 1 1 TRP HE1 H . . . 1 1 3 3 LEU MD1 H . . . . . . . 4.2 . . . . . A . 1 TRP HE1 . . A . 3 LEU MD1 . . . 1 TRP HE1 . . . . . 3 LEU QQD . . c19468_2md1 1 117 2 OR . 1 1 3 3 LEU MD2 H . . . 1 1 1 1 TRP HE1 H . . . . . . . 4.2 . . . . . A . 3 LEU MD2 . . A . 1 TRP HE1 . . . 3 LEU QQD . . . . . 1 TRP HE1 . . c19468_2md1 1 118 1 OR . 1 1 1 1 TRP HE1 H . . . 1 1 4 4 LEU MD1 H . . . . . . . 5.0 . . . . . A . 1 TRP HE1 . . A . 4 LEU MD1 . . . 1 TRP HE1 . . . . . 4 LEU QQD . . c19468_2md1 1 118 2 OR . 1 1 4 4 LEU MD2 H . . . 1 1 1 1 TRP HE1 H . . . . . . . 5.0 . . . . . A . 4 LEU MD2 . . A . 1 TRP HE1 . . . 4 LEU QQD . . . . . 1 TRP HE1 . . c19468_2md1 1 119 1 . . 1 1 3 3 LEU HA H . . . 1 1 1 1 TRP HE3 H . . . . . . . 4.7 . . . . . A . 3 LEU HA . . A . 1 TRP HE3 . . . 3 LEU HA . . . . . 1 TRP HE3 . . c19468_2md1 1 120 1 . . 1 1 4 4 LEU HA H . . . 1 1 1 1 TRP HE3 H . . . . . . . 4.4 . . . . . A . 4 LEU HA . . A . 1 TRP HE3 . . . 4 LEU HA . . . . . 1 TRP HE3 . . c19468_2md1 1 121 1 OR . 1 1 1 1 TRP HE3 H . . . 1 1 3 3 LEU HB2 H . . . . . . . 4.4 . . . . . A . 1 TRP HE3 . . A . 3 LEU HB2 . . . 1 TRP HE3 . . . . . 3 LEU QB . . c19468_2md1 1 121 2 OR . 1 1 3 3 LEU HB3 H . . . 1 1 1 1 TRP HE3 H . . . . . . . 4.4 . . . . . A . 3 LEU HB3 . . A . 1 TRP HE3 . . . 3 LEU QB . . . . . 1 TRP HE3 . . c19468_2md1 1 122 1 OR . 1 1 1 1 TRP HE3 H . . . 1 1 4 4 LEU HB2 H . . . . . . . 4.4 . . . . . A . 1 TRP HE3 . . A . 4 LEU HB2 . . . 1 TRP HE3 . . . . . 4 LEU QB . . c19468_2md1 1 122 2 OR . 1 1 4 4 LEU HB3 H . . . 1 1 1 1 TRP HE3 H . . . . . . . 4.4 . . . . . A . 4 LEU HB3 . . A . 1 TRP HE3 . . . 4 LEU QB . . . . . 1 TRP HE3 . . c19468_2md1 1 123 1 OR . 1 1 1 1 TRP HE3 H . . . 1 1 3 3 LEU MD1 H . . . . . . . 4.4 . . . . . A . 1 TRP HE3 . . A . 3 LEU MD1 . . . 1 TRP HE3 . . . . . 3 LEU QQD . . c19468_2md1 1 123 2 OR . 1 1 3 3 LEU MD2 H . . . 1 1 1 1 TRP HE3 H . . . . . . . 4.4 . . . . . A . 3 LEU MD2 . . A . 1 TRP HE3 . . . 3 LEU QQD . . . . . 1 TRP HE3 . . c19468_2md1 1 124 1 OR . 1 1 1 1 TRP HE3 H . . . 1 1 4 4 LEU MD1 H . . . . . . . 4.2 . . . . . A . 1 TRP HE3 . . A . 4 LEU MD1 . . . 1 TRP HE3 . . . . . 4 LEU QQD . . c19468_2md1 1 124 2 OR . 1 1 4 4 LEU MD2 H . . . 1 1 1 1 TRP HE3 H . . . . . . . 4.2 . . . . . A . 4 LEU MD2 . . A . 1 TRP HE3 . . . 4 LEU QQD . . . . . 1 TRP HE3 . . c19468_2md1 1 125 1 OR . 1 1 1 1 TRP HZ2 H . . . 1 1 3 3 LEU MD1 H . . . . . . . 4.0 . . . . . A . 1 TRP HZ2 . . A . 3 LEU MD1 . . . 1 TRP HZ2 . . . . . 3 LEU QQD . . c19468_2md1 1 125 2 OR . 1 1 3 3 LEU MD2 H . . . 1 1 1 1 TRP HZ2 H . . . . . . . 4.0 . . . . . A . 3 LEU MD2 . . A . 1 TRP HZ2 . . . 3 LEU QQD . . . . . 1 TRP HZ2 . . c19468_2md1 1 126 1 OR . 1 1 1 1 TRP HZ2 H . . . 1 1 3 3 LEU HB2 H . . . . . . . 4.0 . . . . . A . 1 TRP HZ2 . . A . 3 LEU HB2 . . . 1 TRP HZ2 . . . . . 3 LEU QB . . c19468_2md1 1 126 2 OR . 1 1 3 3 LEU HB3 H . . . 1 1 1 1 TRP HZ2 H . . . . . . . 4.0 . . . . . A . 3 LEU HB3 . . A . 1 TRP HZ2 . . . 3 LEU QB . . . . . 1 TRP HZ2 . . c19468_2md1 1 127 1 OR . 1 1 1 1 TRP HZ2 H . . . 1 1 4 4 LEU MD1 H . . . . . . . 4.6 . . . . . A . 1 TRP HZ2 . . A . 4 LEU MD1 . . . 1 TRP HZ2 . . . . . 4 LEU QQD . . c19468_2md1 1 127 2 OR . 1 1 4 4 LEU MD2 H . . . 1 1 1 1 TRP HZ2 H . . . . . . . 4.6 . . . . . A . 4 LEU MD2 . . A . 1 TRP HZ2 . . . 4 LEU QQD . . . . . 1 TRP HZ2 . . c19468_2md1 1 128 1 OR . 1 1 1 1 TRP HD1 H . . . 1 1 1 1 TRP HB2 H . . . . . . . 4.2 . . . . . A . 1 TRP HD1 . . A . 1 TRP HB2 . . . 1 TRP HD1 . . . . . 1 TRP QB . . c19468_2md1 1 128 2 OR . 1 1 1 1 TRP HB3 H . . . 1 1 1 1 TRP HD1 H . . . . . . . 4.2 . . . . . A . 1 TRP HB3 . . A . 1 TRP HD1 . . . 1 TRP QB . . . . . 1 TRP HD1 . . c19468_2md1 1 129 1 OR . 1 1 1 1 TRP HD1 H . . . 1 1 3 3 LEU MD1 H . . . . . . . 4.7 . . . . . A . 1 TRP HD1 . . A . 3 LEU MD1 . . . 1 TRP HD1 . . . . . 3 LEU QQD . . c19468_2md1 1 129 2 OR . 1 1 3 3 LEU MD2 H . . . 1 1 1 1 TRP HD1 H . . . . . . . 4.7 . . . . . A . 3 LEU MD2 . . A . 1 TRP HD1 . . . 3 LEU QQD . . . . . 1 TRP HD1 . . c19468_2md1 1 130 1 OR . 1 1 1 1 TRP HD1 H . . . 1 1 3 3 LEU HB2 H . . . . . . . 3.8 . . . . . A . 1 TRP HD1 . . A . 3 LEU HB2 . . . 1 TRP HD1 . . . . . 3 LEU QB . . c19468_2md1 1 130 2 OR . 1 1 3 3 LEU HB3 H . . . 1 1 1 1 TRP HD1 H . . . . . . . 3.8 . . . . . A . 3 LEU HB3 . . A . 1 TRP HD1 . . . 3 LEU QB . . . . . 1 TRP HD1 . . c19468_2md1 1 131 1 OR . 1 1 1 1 TRP HH2 H . . . 1 1 3 3 LEU MD1 H . . . . . . . 4.2 . . . . . A . 1 TRP HH2 . . A . 3 LEU MD1 . . . 1 TRP HH2 . . . . . 3 LEU QQD . . c19468_2md1 1 131 2 OR . 1 1 3 3 LEU MD2 H . . . 1 1 1 1 TRP HH2 H . . . . . . . 4.2 . . . . . A . 3 LEU MD2 . . A . 1 TRP HH2 . . . 3 LEU QQD . . . . . 1 TRP HH2 . . c19468_2md1 1 132 1 OR . 1 1 1 1 TRP HH2 H . . . 1 1 4 4 LEU MD1 H . . . . . . . 4.0 . . . . . A . 1 TRP HH2 . . A . 4 LEU MD1 . . . 1 TRP HH2 . . . . . 4 LEU QQD . . c19468_2md1 1 132 2 OR . 1 1 4 4 LEU MD2 H . . . 1 1 1 1 TRP HH2 H . . . . . . . 4.0 . . . . . A . 4 LEU MD2 . . A . 1 TRP HH2 . . . 4 LEU QQD . . . . . 1 TRP HH2 . . c19468_2md1 1 133 1 OR . 1 1 1 1 TRP HZ3 H . . . 1 1 3 3 LEU MD1 H . . . . . . . 4.2 . . . . . A . 1 TRP HZ3 . . A . 3 LEU MD1 . . . 1 TRP HZ3 . . . . . 3 LEU QQD . . c19468_2md1 1 133 2 OR . 1 1 3 3 LEU MD2 H . . . 1 1 1 1 TRP HZ3 H . . . . . . . 4.2 . . . . . A . 3 LEU MD2 . . A . 1 TRP HZ3 . . . 3 LEU QQD . . . . . 1 TRP HZ3 . . c19468_2md1 1 134 1 OR . 1 1 1 1 TRP HZ3 H . . . 1 1 4 4 LEU MD1 H . . . . . . . 4.3 . . . . . A . 1 TRP HZ3 . . A . 4 LEU MD1 . . . 1 TRP HZ3 . . . . . 4 LEU QQD . . c19468_2md1 1 134 2 OR . 1 1 4 4 LEU MD2 H . . . 1 1 1 1 TRP HZ3 H . . . . . . . 4.3 . . . . . A . 4 LEU MD2 . . A . 1 TRP HZ3 . . . 4 LEU QQD . . . . . 1 TRP HZ3 . . c19468_2md1 1 135 1 OR . 1 1 1 1 TRP HZ3 H . . . 1 1 3 3 LEU HB2 H . . . . . . . 4.2 . . . . . A . 1 TRP HZ3 . . A . 3 LEU HB2 . . . 1 TRP HZ3 . . . . . 3 LEU QB . . c19468_2md1 1 135 2 OR . 1 1 3 3 LEU HB3 H . . . 1 1 1 1 TRP HZ3 H . . . . . . . 4.2 . . . . . A . 3 LEU HB3 . . A . 1 TRP HZ3 . . . 3 LEU QB . . . . . 1 TRP HZ3 . . c19468_2md1 1 136 1 OR . 1 1 1 1 TRP HZ3 H . . . 1 1 4 4 LEU HB2 H . . . . . . . 4.2 . . . . . A . 1 TRP HZ3 . . A . 4 LEU HB2 . . . 1 TRP HZ3 . . . . . 4 LEU QB . . c19468_2md1 1 136 2 OR . 1 1 4 4 LEU HB3 H . . . 1 1 1 1 TRP HZ3 H . . . . . . . 4.2 . . . . . A . 4 LEU HB3 . . A . 1 TRP HZ3 . . . 4 LEU QB . . . . . 1 TRP HZ3 . . c19468_2md1 1 137 1 . . 1 1 3 3 LEU HA H . . . 1 1 1 1 TRP HZ3 H . . . . . . . 4.9 . . . . . A . 3 LEU HA . . A . 1 TRP HZ3 . . . 3 LEU HA . . . . . 1 TRP HZ3 . . c19468_2md1 1 138 1 . . 1 1 8 8 GLN HA H . . . 1 1 11 11 PHE QE H . . . . . . . 3.8 . . . . . A . 8 GLN HA . . A . 11 PHE QE . . . 8 GLN HA . . . . . 11 PHE QE . . c19468_2md1 1 139 1 . . 1 1 8 8 GLN HA H . . . 1 1 11 11 PHE QD H . . . . . . . 3.8 . . . . . A . 8 GLN HA . . A . 11 PHE QD . . . 8 GLN HA . . . . . 11 PHE QD . . c19468_2md1 1 140 1 OR . 1 1 11 11 PHE QD H . . . 1 1 8 8 GLN HG2 H . . . . . . . 4.2 . . . . . A . 11 PHE QD . . A . 8 GLN HG2 . . . 11 PHE QD . . . . . 8 GLN QG . . c19468_2md1 1 140 2 OR . 1 1 8 8 GLN HG3 H . . . 1 1 11 11 PHE QD H . . . . . . . 4.2 . . . . . A . 8 GLN HG3 . . A . 11 PHE QD . . . 8 GLN QG . . . . . 11 PHE QD . . c19468_2md1 1 141 1 OR . 1 1 11 11 PHE QD H . . . 1 1 11 11 PHE HB2 H . . . . . . . 4.0 . . . . . A . 11 PHE QD . . A . 11 PHE HB2 . . . 11 PHE QD . . . . . 11 PHE QB . . c19468_2md1 1 141 2 OR . 1 1 11 11 PHE HB3 H . . . 1 1 11 11 PHE QD H . . . . . . . 4.0 . . . . . A . 11 PHE HB3 . . A . 11 PHE QD . . . 11 PHE QB . . . . . 11 PHE QD . . c19468_2md1 1 142 1 OR . 1 1 11 11 PHE QE H . . . 1 1 11 11 PHE HB2 H . . . . . . . 4.0 . . . . . A . 11 PHE QE . . A . 11 PHE HB2 . . . 11 PHE QE . . . . . 11 PHE QB . . c19468_2md1 1 142 2 OR . 1 1 11 11 PHE HB3 H . . . 1 1 11 11 PHE QE H . . . . . . . 4.0 . . . . . A . 11 PHE HB3 . . A . 11 PHE QE . . . 11 PHE QB . . . . . 11 PHE QE . . c19468_2md1 1 143 1 OR . 1 1 11 11 PHE QD H . . . 1 1 10 10 LYS HD2 H . . . . . . . 4.0 . . . . . A . 11 PHE QD . . A . 10 LYS HD2 . . . 11 PHE QD . . . . . 10 LYS QD . . c19468_2md1 1 143 2 OR . 1 1 10 10 LYS HD3 H . . . 1 1 11 11 PHE QD H . . . . . . . 4.0 . . . . . A . 10 LYS HD3 . . A . 11 PHE QD . . . 10 LYS QD . . . . . 11 PHE QD . . c19468_2md1 1 144 1 OR . 1 1 11 11 PHE HZ H . . . 1 1 10 10 LYS HD2 H . . . . . . . 4.0 . . . . . A . 11 PHE HZ . . A . 10 LYS HD2 . . . 11 PHE HZ . . . . . 10 LYS QD . . c19468_2md1 1 144 2 OR . 1 1 10 10 LYS HD3 H . . . 1 1 11 11 PHE HZ H . . . . . . . 4.0 . . . . . A . 10 LYS HD3 . . A . 11 PHE HZ . . . 10 LYS QD . . . . . 11 PHE HZ . . c19468_2md1 1 stop_ loop_ _Gen_dist_constraint_conv_err.ID _Gen_dist_constraint_conv_err.Gen_dist_constraint_parse_file_ID _Gen_dist_constraint_conv_err.Parse_file_constraint_ID _Gen_dist_constraint_conv_err.Conv_error_type _Gen_dist_constraint_conv_err.Conv_error_note _Gen_dist_constraint_conv_err.Entry_ID _Gen_dist_constraint_conv_err.Gen_dist_constraint_list_ID 1 2 81 1 "Not handling restraint 81, item 1, resonance(s) ' .12.HA' (nmrStar names) not linked" c19468_2md1 1 stop_ save_ save_DYANA/DIANA_dihedral_3 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Sf_framecode DYANA/DIANA_dihedral_3 _Torsion_angle_constraint_list.Entry_ID c19468_2md1 _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Details 'Generated by Wattos' _Torsion_angle_constraint_list.Constraint_file_ID 1 _Torsion_angle_constraint_list.Block_ID 3 loop_ _Torsion_angle_constraint_software.Software_ID _Torsion_angle_constraint_software.Software_label _Torsion_angle_constraint_software.Method_ID _Torsion_angle_constraint_software.Method_label _Torsion_angle_constraint_software.Entry_ID _Torsion_angle_constraint_software.Torsion_angle_constraint_list_ID . . . . c19468_2md1 1 stop_ loop_ _Torsion_angle_constraint.ID _Torsion_angle_constraint.Torsion_angle_name _Torsion_angle_constraint.Assembly_atom_ID_1 _Torsion_angle_constraint.Entity_assembly_ID_1 _Torsion_angle_constraint.Entity_ID_1 _Torsion_angle_constraint.Comp_index_ID_1 _Torsion_angle_constraint.Seq_ID_1 _Torsion_angle_constraint.Comp_ID_1 _Torsion_angle_constraint.Atom_ID_1 _Torsion_angle_constraint.Atom_type_1 _Torsion_angle_constraint.Resonance_ID_1 _Torsion_angle_constraint.Assembly_atom_ID_2 _Torsion_angle_constraint.Entity_assembly_ID_2 _Torsion_angle_constraint.Entity_ID_2 _Torsion_angle_constraint.Comp_index_ID_2 _Torsion_angle_constraint.Seq_ID_2 _Torsion_angle_constraint.Comp_ID_2 _Torsion_angle_constraint.Atom_ID_2 _Torsion_angle_constraint.Atom_type_2 _Torsion_angle_constraint.Resonance_ID_2 _Torsion_angle_constraint.Assembly_atom_ID_3 _Torsion_angle_constraint.Entity_assembly_ID_3 _Torsion_angle_constraint.Entity_ID_3 _Torsion_angle_constraint.Comp_index_ID_3 _Torsion_angle_constraint.Seq_ID_3 _Torsion_angle_constraint.Comp_ID_3 _Torsion_angle_constraint.Atom_ID_3 _Torsion_angle_constraint.Atom_type_3 _Torsion_angle_constraint.Resonance_ID_3 _Torsion_angle_constraint.Assembly_atom_ID_4 _Torsion_angle_constraint.Entity_assembly_ID_4 _Torsion_angle_constraint.Entity_ID_4 _Torsion_angle_constraint.Comp_index_ID_4 _Torsion_angle_constraint.Seq_ID_4 _Torsion_angle_constraint.Comp_ID_4 _Torsion_angle_constraint.Atom_ID_4 _Torsion_angle_constraint.Atom_type_4 _Torsion_angle_constraint.Resonance_ID_4 _Torsion_angle_constraint.Angle_lower_bound_val _Torsion_angle_constraint.Angle_upper_bound_val _Torsion_angle_constraint.Source_experiment_ID _Torsion_angle_constraint.PDB_record_ID_1 _Torsion_angle_constraint.PDB_model_num_1 _Torsion_angle_constraint.PDB_strand_ID_1 _Torsion_angle_constraint.PDB_ins_code_1 _Torsion_angle_constraint.PDB_residue_no_1 _Torsion_angle_constraint.PDB_residue_name_1 _Torsion_angle_constraint.PDB_atom_name_1 _Torsion_angle_constraint.PDB_record_ID_2 _Torsion_angle_constraint.PDB_model_num_2 _Torsion_angle_constraint.PDB_strand_ID_2 _Torsion_angle_constraint.PDB_ins_code_2 _Torsion_angle_constraint.PDB_residue_no_2 _Torsion_angle_constraint.PDB_residue_name_2 _Torsion_angle_constraint.PDB_atom_name_2 _Torsion_angle_constraint.PDB_record_ID_3 _Torsion_angle_constraint.PDB_model_num_3 _Torsion_angle_constraint.PDB_strand_ID_3 _Torsion_angle_constraint.PDB_ins_code_3 _Torsion_angle_constraint.PDB_residue_no_3 _Torsion_angle_constraint.PDB_residue_name_3 _Torsion_angle_constraint.PDB_atom_name_3 _Torsion_angle_constraint.PDB_record_ID_4 _Torsion_angle_constraint.PDB_model_num_4 _Torsion_angle_constraint.PDB_strand_ID_4 _Torsion_angle_constraint.PDB_ins_code_4 _Torsion_angle_constraint.PDB_residue_no_4 _Torsion_angle_constraint.PDB_residue_name_4 _Torsion_angle_constraint.PDB_atom_name_4 _Torsion_angle_constraint.Auth_entity_assembly_ID_1 _Torsion_angle_constraint.Auth_asym_ID_1 _Torsion_angle_constraint.Auth_chain_ID_1 _Torsion_angle_constraint.Auth_seq_ID_1 _Torsion_angle_constraint.Auth_comp_ID_1 _Torsion_angle_constraint.Auth_atom_ID_1 _Torsion_angle_constraint.Auth_alt_ID_1 _Torsion_angle_constraint.Auth_atom_name_1 _Torsion_angle_constraint.Auth_entity_assembly_ID_2 _Torsion_angle_constraint.Auth_asym_ID_2 _Torsion_angle_constraint.Auth_chain_ID_2 _Torsion_angle_constraint.Auth_seq_ID_2 _Torsion_angle_constraint.Auth_comp_ID_2 _Torsion_angle_constraint.Auth_atom_ID_2 _Torsion_angle_constraint.Auth_alt_ID_2 _Torsion_angle_constraint.Auth_atom_name_2 _Torsion_angle_constraint.Auth_entity_assembly_ID_3 _Torsion_angle_constraint.Auth_asym_ID_3 _Torsion_angle_constraint.Auth_chain_ID_3 _Torsion_angle_constraint.Auth_seq_ID_3 _Torsion_angle_constraint.Auth_comp_ID_3 _Torsion_angle_constraint.Auth_atom_ID_3 _Torsion_angle_constraint.Auth_alt_ID_3 _Torsion_angle_constraint.Auth_atom_name_3 _Torsion_angle_constraint.Auth_entity_assembly_ID_4 _Torsion_angle_constraint.Auth_asym_ID_4 _Torsion_angle_constraint.Auth_chain_ID_4 _Torsion_angle_constraint.Auth_seq_ID_4 _Torsion_angle_constraint.Auth_comp_ID_4 _Torsion_angle_constraint.Auth_atom_ID_4 _Torsion_angle_constraint.Auth_alt_ID_4 _Torsion_angle_constraint.Auth_atom_name_4 _Torsion_angle_constraint.Entry_ID _Torsion_angle_constraint.Torsion_angle_constraint_list_ID 1 PSI . 1 1 1 1 TRP N N . . 1 1 1 1 TRP CA C . . 1 1 1 1 TRP C C . . 1 1 2 2 LYS N N . -120.0 120.0 . . . A . 1 TRP N . . A . 1 TRP CA . . A . 1 TRP C . . A . 2 LYS N . . . 1 TRP . . . . . . 1 TRP . . . . . . 1 TRP . . . . . . 1 TRP . . . c19468_2md1 1 2 PHI . 1 1 1 1 TRP C C . . 1 1 2 2 LYS N N . . 1 1 2 2 LYS CA C . . 1 1 2 2 LYS C C . -120.0 -30.0 . . . A . 1 TRP C . . A . 2 LYS N . . A . 2 LYS CA . . A . 2 LYS C . . . 2 LYS . . . . . . 2 LYS . . . . . . 2 LYS . . . . . . 2 LYS . . . c19468_2md1 1 3 PSI . 1 1 2 2 LYS N N . . 1 1 2 2 LYS CA C . . 1 1 2 2 LYS C C . . 1 1 3 3 LEU N N . -120.0 120.0 . . . A . 2 LYS N . . A . 2 LYS CA . . A . 2 LYS C . . A . 3 LEU N . . . 2 LYS . . . . . . 2 LYS . . . . . . 2 LYS . . . . . . 2 LYS . . . c19468_2md1 1 4 PHI . 1 1 2 2 LYS C C . . 1 1 3 3 LEU N N . . 1 1 3 3 LEU CA C . . 1 1 3 3 LEU C C . -120.0 -30.0 . . . A . 2 LYS C . . A . 3 LEU N . . A . 3 LEU CA . . A . 3 LEU C . . . 3 LEU . . . . . . 3 LEU . . . . . . 3 LEU . . . . . . 3 LEU . . . c19468_2md1 1 5 PSI . 1 1 3 3 LEU N N . . 1 1 3 3 LEU CA C . . 1 1 3 3 LEU C C . . 1 1 4 4 LEU N N . -120.0 120.0 . . . A . 3 LEU N . . A . 3 LEU CA . . A . 3 LEU C . . A . 4 LEU N . . . 3 LEU . . . . . . 3 LEU . . . . . . 3 LEU . . . . . . 3 LEU . . . c19468_2md1 1 6 PHI . 1 1 3 3 LEU C C . . 1 1 4 4 LEU N N . . 1 1 4 4 LEU CA C . . 1 1 4 4 LEU C C . -120.0 -30.0 . . . A . 3 LEU C . . A . 4 LEU N . . A . 4 LEU CA . . A . 4 LEU C . . . 4 LEU . . . . . . 4 LEU . . . . . . 4 LEU . . . . . . 4 LEU . . . c19468_2md1 1 7 PSI . 1 1 4 4 LEU N N . . 1 1 4 4 LEU CA C . . 1 1 4 4 LEU C C . . 1 1 5 5 SER N N . -120.0 120.0 . . . A . 4 LEU N . . A . 4 LEU CA . . A . 4 LEU C . . A . 5 SER N . . . 4 LEU . . . . . . 4 LEU . . . . . . 4 LEU . . . . . . 4 LEU . . . c19468_2md1 1 8 PHI . 1 1 4 4 LEU C C . . 1 1 5 5 SER N N . . 1 1 5 5 SER CA C . . 1 1 5 5 SER C C . -120.0 -30.0 . . . A . 4 LEU C . . A . 5 SER N . . A . 5 SER CA . . A . 5 SER C . . . 5 SER . . . . . . 5 SER . . . . . . 5 SER . . . . . . 5 SER . . . c19468_2md1 1 9 PSI . 1 1 5 5 SER N N . . 1 1 5 5 SER CA C . . 1 1 5 5 SER C C . . 1 1 6 6 LYS N N . -120.0 120.0 . . . A . 5 SER N . . A . 5 SER CA . . A . 5 SER C . . A . 6 LYS N . . . 5 SER . . . . . . 5 SER . . . . . . 5 SER . . . . . . 5 SER . . . c19468_2md1 1 10 PHI . 1 1 5 5 SER C C . . 1 1 6 6 LYS N N . . 1 1 6 6 LYS CA C . . 1 1 6 6 LYS C C . -120.0 -30.0 . . . A . 5 SER C . . A . 6 LYS N . . A . 6 LYS CA . . A . 6 LYS C . . . 6 LYS . . . . . . 6 LYS . . . . . . 6 LYS . . . . . . 6 LYS . . . c19468_2md1 1 11 PSI . 1 1 6 6 LYS N N . . 1 1 6 6 LYS CA C . . 1 1 6 6 LYS C C . . 1 1 7 7 ALA N N . -120.0 120.0 . . . A . 6 LYS N . . A . 6 LYS CA . . A . 6 LYS C . . A . 7 ALA N . . . 6 LYS . . . . . . 6 LYS . . . . . . 6 LYS . . . . . . 6 LYS . . . c19468_2md1 1 12 PHI . 1 1 6 6 LYS C C . . 1 1 7 7 ALA N N . . 1 1 7 7 ALA CA C . . 1 1 7 7 ALA C C . -120.0 -30.0 . . . A . 6 LYS C . . A . 7 ALA N . . A . 7 ALA CA . . A . 7 ALA C . . . 7 ALA . . . . . . 7 ALA . . . . . . 7 ALA . . . . . . 7 ALA . . . c19468_2md1 1 13 PSI . 1 1 7 7 ALA N N . . 1 1 7 7 ALA CA C . . 1 1 7 7 ALA C C . . 1 1 8 8 GLN N N . -120.0 120.0 . . . A . 7 ALA N . . A . 7 ALA CA . . A . 7 ALA C . . A . 8 GLN N . . . 7 ALA . . . . . . 7 ALA . . . . . . 7 ALA . . . . . . 7 ALA . . . c19468_2md1 1 14 PHI . 1 1 7 7 ALA C C . . 1 1 8 8 GLN N N . . 1 1 8 8 GLN CA C . . 1 1 8 8 GLN C C . -120.0 -30.0 . . . A . 7 ALA C . . A . 8 GLN N . . A . 8 GLN CA . . A . 8 GLN C . . . 8 GLN . . . . . . 8 GLN . . . . . . 8 GLN . . . . . . 8 GLN . . . c19468_2md1 1 15 PSI . 1 1 8 8 GLN N N . . 1 1 8 8 GLN CA C . . 1 1 8 8 GLN C C . . 1 1 9 9 GLU N N . -120.0 120.0 . . . A . 8 GLN N . . A . 8 GLN CA . . A . 8 GLN C . . A . 9 GLU N . . . 8 GLN . . . . . . 8 GLN . . . . . . 8 GLN . . . . . . 8 GLN . . . c19468_2md1 1 16 PHI . 1 1 8 8 GLN C C . . 1 1 9 9 GLU N N . . 1 1 9 9 GLU CA C . . 1 1 9 9 GLU C C . -120.0 -30.0 . . . A . 8 GLN C . . A . 9 GLU N . . A . 9 GLU CA . . A . 9 GLU C . . . 9 GLU . . . . . . 9 GLU . . . . . . 9 GLU . . . . . . 9 GLU . . . c19468_2md1 1 17 PSI . 1 1 9 9 GLU N N . . 1 1 9 9 GLU CA C . . 1 1 9 9 GLU C C . . 1 1 10 10 LYS N N . -120.0 120.0 . . . A . 9 GLU N . . A . 9 GLU CA . . A . 9 GLU C . . A . 10 LYS N . . . 9 GLU . . . . . . 9 GLU . . . . . . 9 GLU . . . . . . 9 GLU . . . c19468_2md1 1 18 PHI . 1 1 9 9 GLU C C . . 1 1 10 10 LYS N N . . 1 1 10 10 LYS CA C . . 1 1 10 10 LYS C C . -120.0 -30.0 . . . A . 9 GLU C . . A . 10 LYS N . . A . 10 LYS CA . . A . 10 LYS C . . . 10 LYS . . . . . . 10 LYS . . . . . . 10 LYS . . . . . . 10 LYS . . . c19468_2md1 1 19 PSI . 1 1 10 10 LYS N N . . 1 1 10 10 LYS CA C . . 1 1 10 10 LYS C C . . 1 1 11 11 PHE N N . -120.0 120.0 . . . A . 10 LYS N . . A . 10 LYS CA . . A . 10 LYS C . . A . 11 PHE N . . . 10 LYS . . . . . . 10 LYS . . . . . . 10 LYS . . . . . . 10 LYS . . . c19468_2md1 1 20 PHI . 1 1 10 10 LYS C C . . 1 1 11 11 PHE N N . . 1 1 11 11 PHE CA C . . 1 1 11 11 PHE C C . -120.0 -30.0 . . . A . 10 LYS C . . A . 11 PHE N . . A . 11 PHE CA . . A . 11 PHE C . . . 11 PHE . . . . . . 11 PHE . . . . . . 11 PHE . . . . . . 11 PHE . . . c19468_2md1 1 21 PSI . 1 1 11 11 PHE N N . . 1 1 11 11 PHE CA C . . 1 1 11 11 PHE C C . . 1 1 12 12 GLY N N . -120.0 120.0 . . . A . 11 PHE N . . A . 11 PHE CA . . A . 11 PHE C . . A . 12 GLY N . . . 11 PHE . . . . . . 11 PHE . . . . . . 11 PHE . . . . . . 11 PHE . . . c19468_2md1 1 22 PHI . 1 1 11 11 PHE C C . . 1 1 12 12 GLY N N . . 1 1 12 12 GLY CA C . . 1 1 12 12 GLY C C . -120.0 -30.0 . . . A . 11 PHE C . . A . 12 GLY N . . A . 12 GLY CA . . A . 12 GLY C . . . 12 GLY . . . . . . 12 GLY . . . . . . 12 GLY . . . . . . 12 GLY . . . c19468_2md1 1 23 PSI . 1 1 12 12 GLY N N . . 1 1 12 12 GLY CA C . . 1 1 12 12 GLY C C . . 1 1 13 13 LYS N N . -120.0 120.0 . . . A . 12 GLY N . . A . 12 GLY CA . . A . 12 GLY C . . A . 13 LYS N . . . 12 GLY . . . . . . 12 GLY . . . . . . 12 GLY . . . . . . 12 GLY . . . c19468_2md1 1 24 PHI . 1 1 12 12 GLY C C . . 1 1 13 13 LYS N N . . 1 1 13 13 LYS CA C . . 1 1 13 13 LYS C C . -120.0 -30.0 . . . A . 12 GLY C . . A . 13 LYS N . . A . 13 LYS CA . . A . 13 LYS C . . . 13 LYS . . . . . . 13 LYS . . . . . . 13 LYS . . . . . . 13 LYS . . . c19468_2md1 1 25 PSI . 1 1 13 13 LYS N N . . 1 1 13 13 LYS CA C . . 1 1 13 13 LYS C C . . 1 1 14 14 ASN N N . -120.0 120.0 . . . A . 13 LYS N . . A . 13 LYS CA . . A . 13 LYS C . . A . 14 ASN N . . . 13 LYS . . . . . . 13 LYS . . . . . . 13 LYS . . . . . . 13 LYS . . . c19468_2md1 1 26 PHI . 1 1 13 13 LYS C C . . 1 1 14 14 ASN N N . . 1 1 14 14 ASN CA C . . 1 1 14 14 ASN C C . -120.0 -30.0 . . . A . 13 LYS C . . A . 14 ASN N . . A . 14 ASN CA . . A . 14 ASN C . . . 14 ASN . . . . . . 14 ASN . . . . . . 14 ASN . . . . . . 14 ASN . . . c19468_2md1 1 27 PSI . 1 1 14 14 ASN N N . . 1 1 14 14 ASN CA C . . 1 1 14 14 ASN C C . . 1 1 15 15 LYS N N . -120.0 120.0 . . . A . 14 ASN N . . A . 14 ASN CA . . A . 14 ASN C . . A . 15 LYS N . . . 14 ASN . . . . . . 14 ASN . . . . . . 14 ASN . . . . . . 14 ASN . . . c19468_2md1 1 28 PHI . 1 1 14 14 ASN C C . . 1 1 15 15 LYS N N . . 1 1 15 15 LYS CA C . . 1 1 15 15 LYS C C . -120.0 -30.0 . . . A . 14 ASN C . . A . 15 LYS N . . A . 15 LYS CA . . A . 15 LYS C . . . 15 LYS . . . . . . 15 LYS . . . . . . 15 LYS . . . . . . 15 LYS . . . c19468_2md1 1 29 PSI . 1 1 15 15 LYS N N . . 1 1 15 15 LYS CA C . . 1 1 15 15 LYS C C . . 1 1 16 16 SER N N . -120.0 120.0 . . . A . 15 LYS N . . A . 15 LYS CA . . A . 15 LYS C . . A . 16 SER N . . . 15 LYS . . . . . . 15 LYS . . . . . . 15 LYS . . . . . . 15 LYS . . . c19468_2md1 1 30 PHI . 1 1 15 15 LYS C C . . 1 1 16 16 SER N N . . 1 1 16 16 SER CA C . . 1 1 16 16 SER C C . -120.0 -30.0 . . . A . 15 LYS C . . A . 16 SER N . . A . 16 SER CA . . A . 16 SER C . . . 16 SER . . . . . . 16 SER . . . . . . 16 SER . . . . . . 16 SER . . . c19468_2md1 1 31 PSI . 1 1 16 16 SER N N . . 1 1 16 16 SER CA C . . 1 1 16 16 SER C C . . 1 1 17 17 ARG N N . -120.0 120.0 . . . A . 16 SER N . . A . 16 SER CA . . A . 16 SER C . . A . 17 ARG N . . . 16 SER . . . . . . 16 SER . . . . . . 16 SER . . . . . . 16 SER . . . c19468_2md1 1 32 PHI . 1 1 16 16 SER C C . . 1 1 17 17 ARG N N . . 1 1 17 17 ARG CA C . . 1 1 17 17 ARG C C . -120.0 -30.0 . . . A . 16 SER C . . A . 17 ARG N . . A . 17 ARG CA . . A . 17 ARG C . . . 17 ARG . . . . . . 17 ARG . . . . . . 17 ARG . . . . . . 17 ARG . . . c19468_2md1 1 stop_ loop_ _TA_constraint_comment_org.ID _TA_constraint_comment_org.Comment_text _TA_constraint_comment_org.Comment_begin_line _TA_constraint_comment_org.Comment_begin_column _TA_constraint_comment_org.Comment_end_line _TA_constraint_comment_org.Comment_end_column _TA_constraint_comment_org.Entry_ID _TA_constraint_comment_org.Torsion_angle_constraint_list_ID 1 'Torsion angle constraints' 1 1 1 28 c19468_2md1 1 2 'generated from HA secondary chemical shifts' 2 1 2 48 c19468_2md1 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 c19468_2md1 _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 ANTIMICROBIAL PROTEIN 29-AUG-13 2MD1 *TITLE FRAGMENT BASED APPROACH AND BINDING BEHAVIOR OF LFAMPINB WITH *TITLE 2 LIPOPOLYSACCHARIDE:BIOPHYSICAL ASPECTS *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: LACTOTRANSFERRIN; *COMPND 3 CHAIN: A; *COMPND 4 SYNONYM: LACTOFERRIN, LACTOFERRICIN-B, LFCIN-B; *COMPND 5 EC: 3.4.21.-; *COMPND 6 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 ORGANISM_SCIENTIFIC: BOS TAURUS; *SOURCE 4 ORGANISM_COMMON: BOVINE; *SOURCE 5 ORGANISM_TAXID: 9913; *SOURCE 6 OTHER_DETAILS: THE PEPTIDE WAS CHEMICALLY SYNTHESIZED. *KEYWDS ANTIMICROBIAL PROTEIN *EXPDTA SOLUTION NMR *NUMMDL 10 *AUTHOR A.BHUNIA, S.CHATTERJEE, A.GHOSH, J.JANA *REVDAT 1 25-SEP-13 2MD1 0' save_