data_c34016_5lff ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID c34016_5lff _Entry.Title ; NMR structure of peptide 2 targeting CXCR4 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-07-01 _Entry.Accession_date 2016-07-01 _Entry.Last_release_date 2016-09-02 _Entry.Original_release_date 2016-09-02 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _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.ORCID _Entry_author.Entry_ID 1 S. 'Di Maro' S. . . . c34016_5lff 2 A. Trotta A. M. . . c34016_5lff 3 D. Brancaccio D. . . . c34016_5lff 4 F. 'Di Leva' F. S. . . c34016_5lff 5 V. 'La Pietra' V. . . . c34016_5lff 6 C. Ierano C. . . . c34016_5lff 7 M. Napolitano M. . . . c34016_5lff 8 L. Portella L. . . . c34016_5lff 9 C. D'Alterio C. . . . c34016_5lff 10 R. Siciliano R. A. . . c34016_5lff 11 D. Sementa D. . . . c34016_5lff 12 S. Tomassi S. . . . c34016_5lff 13 A. Carotenuto A. . . . c34016_5lff 14 E. Novellino E. . . . c34016_5lff 15 S. Scala S. . . . c34016_5lff 16 L. Marinelli L. . . . c34016_5lff stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID CXCL12 . c34016_5lff CXCR4 . c34016_5lff 'CXCR4 antagonists' . c34016_5lff Cytokine . c34016_5lff cancer . c34016_5lff chemokine . c34016_5lff 'drug design' . c34016_5lff 'molecular invasion' . c34016_5lff stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 c34016_5lff spectral_peak_list 1 c34016_5lff stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 45 c34016_5lff 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 . . 2016-09-02 . original BMRB . c34016_5lff stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5LFF 'BMRB Entry Tracking System' c34016_5lff stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID c34016_5lff _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1021/acs.jmedchem.6b00695 _Citation.PubMed_ID 27571038 _Citation.Full_citation . _Citation.Title ; Exploring the N-terminal region of C-X-C motif chemokine 12 (CXCL12): Identification of plasma-stable cyclic peptides as novel, potent C-X-C chemokine receptor type 4 (CXCR4) antagonists. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Med. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM JMCMAR _Citation.Journal_ISSN 0022-2623 _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 2016 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 S. 'Di Maro' S. . . . c34016_5lff 1 2 A. Trotta A. M. . . c34016_5lff 1 3 D. Brancaccio D. . . . c34016_5lff 1 4 F. 'Di Leva' F. S. . . c34016_5lff 1 5 V. 'La Pietra' V. . . . c34016_5lff 1 6 C. Ierano C. . . . c34016_5lff 1 7 M. Napolitano M. . . . c34016_5lff 1 8 L. Portella L. . . . c34016_5lff 1 9 C. D'Alterio C. . . . c34016_5lff 1 10 R. Siciliano R. A. . . c34016_5lff 1 11 D. Sementa D. . . . c34016_5lff 1 12 S. Tomassi S. . . . c34016_5lff 1 13 A. Carotenuto A. . . . c34016_5lff 1 14 E. Novellino E. . . . c34016_5lff 1 15 S. Scala S. . . . c34016_5lff 1 16 L. Marinelli L. . . . c34016_5lff 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID c34016_5lff _Assembly.ID 1 _Assembly.Name ARG-ALA-CYS-ARG-PHE-PHE-CYS _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . . . c34016_5lff 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID c34016_5lff _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; RACRFFC ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 7 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method syn _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 904.114 _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 . ARG . c34016_5lff 1 2 . ALA . c34016_5lff 1 3 . CYS . c34016_5lff 1 4 . ARG . c34016_5lff 1 5 . PHE . c34016_5lff 1 6 . PHE . c34016_5lff 1 7 . CYS . c34016_5lff 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 . ARG 1 1 c34016_5lff 1 . ALA 2 2 c34016_5lff 1 . CYS 3 3 c34016_5lff 1 . ARG 4 4 c34016_5lff 1 . PHE 5 5 c34016_5lff 1 . PHE 6 6 c34016_5lff 1 . CYS 7 7 c34016_5lff 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 c34016_5lff _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . c34016_5lff 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 c34016_5lff _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'chemical synthesis' . . . . . . . . . . . . . . . . c34016_5lff 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID c34016_5lff _Sample.ID 1 _Sample.Type micelle _Sample.Sub_type . _Sample.Details '2 mM Peptide 2, 200 mM deuterated SDS, 10 % deuterad H2O, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 H2O deuterad . . . . . . 10 . . % . . . . c34016_5lff 1 2 'Peptide 2' 'natural abundance' . . 1 $entity_1 . . 2 . . mM . . . . c34016_5lff 1 3 SDS deuterated . . . . . . 200 . . mM . . . . c34016_5lff 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 c34016_5lff _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0 . mM c34016_5lff 1 pH 5.5 . pH c34016_5lff 1 pressure 1 . atm c34016_5lff 1 temperature 298 . K c34016_5lff 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID c34016_5lff _Software.ID 1 _Software.Name DISCOVER _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Accelrys Software Inc.' . . c34016_5lff 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement c34016_5lff 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID c34016_5lff _Software.ID 2 _Software.Name DYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Braun and Wuthrich' . . c34016_5lff 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' c34016_5lff 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID c34016_5lff _Software.ID 3 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . c34016_5lff 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' c34016_5lff 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID c34016_5lff _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID c34016_5lff _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Varian INOVA . 700 . . . c34016_5lff 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 c34016_5lff _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '1D 1H' no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . c34016_5lff 1 2 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . c34016_5lff 1 3 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . c34016_5lff 1 4 '2D DQF-COSY' no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . c34016_5lff 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID c34016_5lff _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 TSP 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . c34016_5lff 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID c34016_5lff _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 3 '2D 1H-1H NOESY' . . . c34016_5lff 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $software_3 . . c34016_5lff 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 ARG HB2 H 1 1.984 0.006 . . . . . A 1 ARG HB2 . c34016_5lff 1 2 . 1 1 1 1 ARG HB3 H 1 2.032 0.000 . . . . . A 1 ARG HB3 . c34016_5lff 1 3 . 1 1 1 1 ARG HG2 H 1 1.574 0.000 . . . . . A 1 ARG HG2 . c34016_5lff 1 4 . 1 1 1 1 ARG HG3 H 1 1.688 0.000 . . . . . A 1 ARG HG3 . c34016_5lff 1 5 . 1 1 1 1 ARG HD2 H 1 3.210 0.000 . . . . . A 1 ARG HD2 . c34016_5lff 1 6 . 1 1 1 1 ARG HD3 H 1 3.210 0.000 . . . . . A 1 ARG HD3 . c34016_5lff 1 7 . 1 1 1 1 ARG HE H 1 7.232 0.000 . . . . . A 1 ARG HE . c34016_5lff 1 8 . 1 1 2 2 ALA H H 1 8.614 0.000 . . . . . A 2 ALA H . c34016_5lff 1 9 . 1 1 2 2 ALA HA H 1 4.287 0.000 . . . . . A 2 ALA HA . c34016_5lff 1 10 . 1 1 2 2 ALA HB1 H 1 1.377 0.000 . . . . . A 2 ALA HB1 . c34016_5lff 1 11 . 1 1 2 2 ALA HB2 H 1 1.377 0.000 . . . . . A 2 ALA HB2 . c34016_5lff 1 12 . 1 1 2 2 ALA HB3 H 1 1.377 0.000 . . . . . A 2 ALA HB3 . c34016_5lff 1 13 . 1 1 3 3 CYS H H 1 8.308 0.000 . . . . . A 3 CYS H . c34016_5lff 1 14 . 1 1 3 3 CYS HA H 1 4.494 0.000 . . . . . A 3 CYS HA . c34016_5lff 1 15 . 1 1 3 3 CYS HB2 H 1 3.026 0.000 . . . . . A 3 CYS HB2 . c34016_5lff 1 16 . 1 1 3 3 CYS HB3 H 1 3.287 0.000 . . . . . A 3 CYS HB3 . c34016_5lff 1 17 . 1 1 4 4 ARG H H 1 8.270 0.000 . . . . . A 4 ARG H . c34016_5lff 1 18 . 1 1 4 4 ARG HA H 1 4.049 0.000 . . . . . A 4 ARG HA . c34016_5lff 1 19 . 1 1 4 4 ARG HB2 H 1 1.198 0.002 . . . . . A 4 ARG HB2 . c34016_5lff 1 20 . 1 1 4 4 ARG HB3 H 1 1.403 0.002 . . . . . A 4 ARG HB3 . c34016_5lff 1 21 . 1 1 4 4 ARG HG2 H 1 0.989 0.002 . . . . . A 4 ARG HG2 . c34016_5lff 1 22 . 1 1 4 4 ARG HG3 H 1 1.113 0.000 . . . . . A 4 ARG HG3 . c34016_5lff 1 23 . 1 1 4 4 ARG HD2 H 1 2.887 0.000 . . . . . A 4 ARG HD2 . c34016_5lff 1 24 . 1 1 4 4 ARG HD3 H 1 2.887 0.000 . . . . . A 4 ARG HD3 . c34016_5lff 1 25 . 1 1 4 4 ARG HE H 1 6.976 0.000 . . . . . A 4 ARG HE . c34016_5lff 1 26 . 1 1 5 5 PHE H H 1 7.898 0.000 . . . . . A 5 PHE H . c34016_5lff 1 27 . 1 1 5 5 PHE HA H 1 4.549 0.000 . . . . . A 5 PHE HA . c34016_5lff 1 28 . 1 1 5 5 PHE HB2 H 1 2.551 0.000 . . . . . A 5 PHE HB2 . c34016_5lff 1 29 . 1 1 5 5 PHE HB3 H 1 2.551 0.000 . . . . . A 5 PHE HB3 . c34016_5lff 1 30 . 1 1 5 5 PHE HD1 H 1 7.077 0.000 . . . . . A 5 PHE HD1 . c34016_5lff 1 31 . 1 1 5 5 PHE HD2 H 1 7.077 0.000 . . . . . A 5 PHE HD2 . c34016_5lff 1 32 . 1 1 5 5 PHE HE1 H 1 7.170 0.000 . . . . . A 5 PHE HE1 . c34016_5lff 1 33 . 1 1 5 5 PHE HE2 H 1 7.170 0.000 . . . . . A 5 PHE HE2 . c34016_5lff 1 34 . 1 1 6 6 PHE H H 1 8.016 0.000 . . . . . A 6 PHE H . c34016_5lff 1 35 . 1 1 6 6 PHE HA H 1 4.634 0.000 . . . . . A 6 PHE HA . c34016_5lff 1 36 . 1 1 6 6 PHE HB2 H 1 3.030 0.000 . . . . . A 6 PHE HB2 . c34016_5lff 1 37 . 1 1 6 6 PHE HB3 H 1 3.332 0.003 . . . . . A 6 PHE HB3 . c34016_5lff 1 38 . 1 1 6 6 PHE HD1 H 1 7.335 0.000 . . . . . A 6 PHE HD1 . c34016_5lff 1 39 . 1 1 6 6 PHE HD2 H 1 7.335 0.000 . . . . . A 6 PHE HD2 . c34016_5lff 1 40 . 1 1 6 6 PHE HE1 H 1 7.235 0.000 . . . . . A 6 PHE HE1 . c34016_5lff 1 41 . 1 1 6 6 PHE HE2 H 1 7.235 0.000 . . . . . A 6 PHE HE2 . c34016_5lff 1 42 . 1 1 7 7 CYS H H 1 7.982 0.000 . . . . . A 7 CYS H . c34016_5lff 1 43 . 1 1 7 7 CYS HA H 1 4.716 0.000 . . . . . A 7 CYS HA . c34016_5lff 1 44 . 1 1 7 7 CYS HB2 H 1 3.084 0.000 . . . . . A 7 CYS HB2 . c34016_5lff 1 45 . 1 1 7 7 CYS HB3 H 1 3.276 0.000 . . . . . A 7 CYS HB3 . c34016_5lff 1 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peak_list_1 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_1 _Spectral_peak_list.Entry_ID c34016_5lff _Spectral_peak_list.ID 1 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 3 _Spectral_peak_list.Experiment_name '2D 1H-1H NOESY' _Spectral_peak_list.Number_of_spectral_dimensions 2 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; # Number of dimensions 2 #INAME 1 H #INAME 2 H 2 4.287 8.614 1 U 4.024e+04 0.00e+00 - 0 32 30 0 3 1.377 8.614 1 U 8.754e+04 0.00e+00 - 0 33 30 0 8 4.287 8.308 1 U 8.497e+04 0.00e+00 - 0 32 40 0 9 4.494 8.308 1 U 6.990e+04 0.00e+00 - 0 42 40 0 10 4.494 8.270 1 U 8.094e+04 0.00e+00 - 0 42 49 0 11 4.049 8.270 1 U 3.000e+04 0.00e+00 - 0 51 49 0 12 4.049 7.898 1 U 1.850e+04 0.00e+00 - 0 51 77 0 13 4.549 7.898 1 U 3.136e+04 0.00e+00 - 0 79 77 0 14 4.549 8.016 1 U 3.490e+04 0.00e+00 - 0 79 100 0 15 4.634 8.016 1 U 4.582e+04 0.00e+00 - 0 102 100 0 16 4.634 7.982 1 U 5.521e+04 0.00e+00 - 0 102 123 0 17 4.716 7.982 1 U 4.495e+04 0.00e+00 - 0 125 123 0 19 3.287 8.308 1 U 2.778e+04 0.00e+00 - 0 45 40 0 20 8.614 8.614 1 U 1.018e+06 0.00e+00 - 0 30 30 0 21 4.287 4.287 1 U 1.197e+06 0.00e+00 - 0 32 32 0 22 8.614 4.287 1 U 3.586e+04 0.00e+00 - 0 30 32 0 23 1.377 1.377 1 U 4.892e+06 0.00e+00 - 0 33 33 0 24 8.614 1.377 1 U 7.957e+04 0.00e+00 - 0 30 33 0 25 8.308 8.308 1 U 9.042e+05 0.00e+00 - 0 40 40 0 26 8.308 4.494 1 U 3.472e+04 0.00e+00 - 0 40 42 0 27 4.494 4.494 1 U 3.050e+05 0.00e+00 - 0 42 42 0 28 3.287 3.287 1 U 4.363e+05 0.00e+00 - 0 45 45 0 29 8.308 3.287 1 U 1.748e+04 0.00e+00 - 0 40 45 0 30 3.026 8.308 1 U 2.598e+04 0.00e+00 - 0 44 40 0 31 8.308 3.026 1 U 1.845e+04 0.00e+00 - 0 40 44 0 32 3.026 3.026 1 U 3.910e+05 0.00e+00 - 0 44 44 0 33 3.287 3.026 1 U 2.286e+05 0.00e+00 - 0 45 44 0 34 3.026 3.287 1 U 2.178e+05 0.00e+00 - 0 44 45 0 35 1.377 4.287 1 U 7.654e+04 0.00e+00 - 0 33 32 0 36 4.287 1.377 1 U 9.358e+04 0.00e+00 - 0 32 33 0 40 1.113 8.270 1 U 1.753e+04 0.00e+00 - 0 58 49 0 41 0.991 8.270 1 U 8.204e+03 0.00e+00 - 0 57 49 0 42 8.270 8.270 1 U 6.103e+05 0.00e+00 - 0 49 49 0 43 8.270 4.049 1 U 2.070e+04 0.00e+00 - 0 49 51 0 45 4.049 4.049 1 U 7.435e+05 0.00e+00 - 0 51 51 0 46 1.113 1.113 1 U 4.200e+05 0.00e+00 - 0 58 58 0 47 0.991 0.986 1 U 3.568e+05 0.00e+00 - 0 57 57 0 55 8.270 1.113 1 U 1.241e+04 0.00e+00 - 0 49 58 0 56 8.270 0.986 1 U 6.990e+03 0.00e+00 - 0 49 57 0 57 2.551 7.898 1 U 4.229e+04 0.00e+00 - 0 83 77 0 58 7.898 7.898 1 U 6.983e+05 0.00e+00 - 0 77 77 0 61 7.898 4.549 1 U 6.026e+03 0.00e+00 - 0 77 79 0 62 4.549 4.549 1 U 1.145e+05 0.00e+00 - 0 79 79 0 63 2.551 2.551 1 U 4.850e+05 0.00e+00 - 0 83 83 0 64 7.898 2.551 1 U 2.667e+04 0.00e+00 - 0 77 83 0 65 2.551 4.549 1 U 1.120e+04 0.00e+00 - 0 83 79 0 66 4.549 2.551 1 U 5.148e+04 0.00e+00 - 0 79 83 0 67 4.549 7.077 1 U 5.999e+04 0.00e+00 - 0 79 84 0 68 2.551 7.077 1 U 7.799e+04 0.00e+00 - 0 83 84 0 69 7.077 7.077 1 U 3.176e+06 0.00e+00 - 0 84 84 0 70 7.077 4.549 1 U 5.199e+03 0.00e+00 - 0 84 79 0 71 7.898 7.077 1 U 2.295e+04 0.00e+00 - 0 77 84 0 72 7.077 7.898 1 U 1.759e+04 0.00e+00 - 0 84 77 0 73 8.016 8.016 1 U 6.774e+05 0.00e+00 - 0 100 100 0 74 4.634 4.634 1 U -1.947e+04 0.00e+00 - 0 102 102 0 75 3.276 7.982 1 U 2.819e+04 0.00e+00 - 0 128 123 0 76 3.084 7.982 1 U 4.379e+04 0.00e+00 - 0 127 123 0 77 7.982 7.982 1 U 9.552e+05 0.00e+00 - 0 123 123 0 78 4.716 4.716 1 U -9.949e+04 0.00e+00 - 0 125 125 0 79 3.084 3.084 1 U 4.324e+05 0.00e+00 - 0 127 127 0 80 3.276 3.276 1 U 4.750e+05 0.00e+00 - 0 128 128 0 81 3.276 3.084 1 U 2.469e+05 0.00e+00 - 0 128 127 0 82 3.084 3.276 1 U 2.235e+05 0.00e+00 - 0 127 128 0 83 7.982 3.276 1 U 1.791e+04 0.00e+00 - 0 123 128 0 84 7.982 3.084 1 U 2.497e+04 0.00e+00 - 0 123 127 0 85 3.335 8.016 1 U 1.555e+04 0.00e+00 - 0 105 100 0 86 3.030 8.016 1 U 3.399e+04 0.00e+00 - 0 104 100 0 88 3.030 3.030 1 U 3.909e+05 0.00e+00 - 0 104 104 0 89 3.335 3.330 1 U 4.223e+05 0.00e+00 - 0 105 105 0 90 3.335 3.030 1 U 1.917e+05 0.00e+00 - 0 105 104 0 91 3.030 3.330 1 U 1.915e+05 0.00e+00 - 0 104 105 0 92 8.016 3.030 1 U 2.522e+04 0.00e+00 - 0 100 104 0 93 8.016 3.330 1 U 1.276e+04 0.00e+00 - 0 100 105 0 94 4.634 3.330 1 U 3.581e+04 0.00e+00 - 0 102 105 0 95 4.634 3.030 1 U 1.884e+04 0.00e+00 - 0 102 104 0 96 4.634 7.335 1 U 5.470e+04 0.00e+00 - 0 102 107 0 97 7.335 7.335 1 U 2.443e+06 0.00e+00 - 0 107 107 0 98 8.016 7.335 1 U 2.127e+04 0.00e+00 - 0 100 107 0 99 7.335 8.016 1 U 1.543e+04 0.00e+00 - 0 107 100 0 100 3.335 7.335 1 U 4.165e+04 0.00e+00 - 0 105 107 0 101 3.030 7.335 1 U 6.317e+04 0.00e+00 - 0 104 107 0 102 2.551 8.016 1 U 4.107e+04 0.00e+00 - 0 83 100 0 103 7.335 3.330 1 U 1.682e+04 0.00e+00 - 0 107 105 0 104 7.335 3.030 1 U 2.804e+04 0.00e+00 - 0 107 104 0 105 1.113 4.049 1 U 1.811e+04 0.00e+00 - 0 58 51 0 106 0.991 4.049 1 U 1.738e+04 0.00e+00 - 0 57 51 0 107 4.049 1.113 1 U 2.108e+04 0.00e+00 - 0 51 58 0 108 4.049 0.986 1 U 1.559e+04 0.00e+00 - 0 51 57 0 111 4.494 3.026 1 U 3.681e+04 0.00e+00 - 0 42 44 0 112 3.026 4.494 1 U 2.115e+04 0.00e+00 - 0 44 42 0 113 4.494 3.287 1 U 3.768e+04 0.00e+00 - 0 42 45 0 114 3.287 4.494 1 U 2.403e+04 0.00e+00 - 0 45 42 0 115 8.614 8.308 1 U 2.005e+04 0.00e+00 - 0 30 40 0 116 8.320 8.614 1 U 1.809e+04 0.00e+00 - 0 0 30 0 117 8.270 7.898 1 U 5.763e+04 0.00e+00 - 0 49 77 0 118 7.898 8.270 1 U 4.827e+04 0.00e+00 - 0 77 49 0 120 1.405 7.898 1 U 2.394e+04 0.00e+00 - 0 54 77 0 121 1.113 7.898 1 U 6.513e+03 0.00e+00 - 0 58 77 0 122 0.991 7.898 1 U 4.585e+03 0.00e+00 - 0 57 77 0 123 1.405 7.077 1 U 1.101e+04 0.00e+00 - 0 54 84 0 124 1.113 7.077 1 U 5.127e+03 0.00e+00 - 0 58 84 0 125 0.991 7.077 1 U 4.699e+03 0.00e+00 - 0 57 84 0 127 1.113 6.976 1 U 1.633e+04 0.00e+00 - 0 58 65 0 128 0.991 6.976 1 U 1.829e+04 0.00e+00 - 0 57 65 0 130 6.976 6.976 1 U 1.314e+06 0.00e+00 - 0 65 65 0 131 6.987 4.049 1 U 2.054e+03 0.00e+00 - 0 0 51 0 133 6.976 1.113 1 U 9.794e+03 0.00e+00 - 0 65 58 0 134 6.976 0.986 1 U 1.019e+04 0.00e+00 - 0 65 57 0 137 4.154 8.614 1 U 9.590e+04 0.00e+00 - 0 4 30 0 138 2.032 8.614 1 U 2.723e+04 0.00e+00 - 0 7 30 0 139 1.990 8.614 1 U 1.490e+04 0.00e+00 - 0 6 30 0 140 1.688 8.614 1 U 7.249e+03 0.00e+00 - 0 11 30 0 142 1.574 8.614 1 U 8.147e+03 0.00e+00 - 0 10 30 0 143 2.032 2.032 1 U 6.042e+05 0.00e+00 - 0 7 7 0 144 1.990 1.985 1 U 3.204e+05 0.00e+00 - 0 6 6 0 145 2.032 1.985 1 U 2.073e+05 0.00e+00 - 0 7 6 0 146 1.990 2.032 1 U 2.418e+05 0.00e+00 - 0 6 7 0 147 1.688 8.308 1 U 5.753e+03 0.00e+00 - 0 11 40 0 148 1.574 8.308 1 U 1.326e+04 0.00e+00 - 0 10 40 0 150 1.688 1.688 1 U 4.221e+05 0.00e+00 - 0 11 11 0 151 1.574 1.574 1 U 1.960e+06 0.00e+00 - 0 10 10 0 152 2.032 1.688 1 U 2.603e+04 0.00e+00 - 0 7 11 0 153 1.688 2.032 1 U 2.526e+04 0.00e+00 - 0 11 7 0 154 1.574 2.032 1 U 2.183e+04 0.00e+00 - 0 10 7 0 155 1.688 1.574 1 U 1.702e+05 0.00e+00 - 0 11 10 0 156 1.574 1.688 1 U 1.632e+05 0.00e+00 - 0 10 11 0 157 1.990 1.688 1 U 2.149e+04 0.00e+00 - 0 6 11 0 158 1.688 1.985 1 U 2.571e+04 0.00e+00 - 0 11 6 0 159 1.990 1.574 1 U 2.055e+04 0.00e+00 - 0 6 10 0 160 1.574 1.985 1 U 3.908e+04 0.00e+00 - 0 10 6 0 161 2.032 1.574 1 U 2.165e+04 0.00e+00 - 0 7 10 0 164 8.614 2.032 1 U 1.515e+04 0.00e+00 - 0 30 7 0 165 8.614 1.984 1 U 1.465e+04 0.00e+00 - 0 30 6 0 166 7.077 2.551 1 U 3.868e+04 0.00e+00 - 0 84 83 0 168 7.898 4.049 1 U 1.165e+04 0.00e+00 - 0 77 51 0 169 2.551 7.335 1 U 1.641e+04 0.00e+00 - 0 83 107 0 170 7.335 2.551 1 U 7.431e+03 0.00e+00 - 0 107 83 0 171 2.032 7.232 1 U 7.497e+03 0.00e+00 - 0 7 18 0 172 1.976 7.232 1 U 7.643e+03 0.00e+00 - 0 6 18 0 173 1.688 7.232 1 U 1.598e+04 0.00e+00 - 0 11 18 0 174 1.574 7.232 1 U 1.303e+04 0.00e+00 - 0 10 18 0 175 7.232 7.232 1 U 2.857e+06 0.00e+00 - 0 18 18 0 176 7.232 2.032 1 U 5.356e+03 0.00e+00 - 0 18 7 0 177 7.232 1.979 1 U 6.265e+03 0.00e+00 - 0 18 6 0 178 7.232 1.688 1 U 9.351e+03 0.00e+00 - 0 18 11 0 179 7.232 1.574 1 U 8.261e+03 0.00e+00 - 0 18 10 0 180 4.154 4.154 1 U 1.038e+06 0.00e+00 - 0 4 4 0 181 1.688 4.154 1 U 1.123e+04 0.00e+00 - 0 11 4 0 182 1.574 4.154 1 U 1.411e+04 0.00e+00 - 0 10 4 0 183 4.154 1.688 1 U 7.374e+03 0.00e+00 - 0 4 11 0 184 4.154 1.574 1 U 8.897e+03 0.00e+00 - 0 4 10 0 185 2.032 4.154 1 U 4.387e+04 0.00e+00 - 0 7 4 0 186 1.968 4.154 1 U 4.142e+04 0.00e+00 - 0 6 4 0 187 4.154 2.032 1 U 2.750e+04 0.00e+00 - 0 4 7 0 188 4.154 1.978 1 U 2.853e+04 0.00e+00 - 0 4 6 0 189 4.549 7.170 1 U 1.078e+04 0.00e+00 - 0 79 85 0 190 2.551 7.170 1 U 1.398e+04 0.00e+00 - 0 83 85 0 192 1.200 6.976 1 U 8.238e+03 0.00e+00 - 0 53 65 0 193 1.405 6.976 1 U 1.215e+04 0.00e+00 - 0 54 65 0 194 1.405 8.270 1 U 3.945e+04 0.00e+00 - 0 54 49 0 195 1.200 8.270 1 U 2.443e+04 0.00e+00 - 0 53 49 0 196 1.200 7.898 1 U 2.503e+04 0.00e+00 - 0 53 77 0 197 2.887 6.976 1 U 6.626e+04 0.00e+00 - 0 63 65 0 198 3.210 7.232 1 U 5.681e+04 0.00e+00 - 0 16 18 0 199 4.634 7.235 1 U 1.138e+04 0.00e+00 - 0 102 108 0 200 3.335 7.235 1 U 9.340e+03 0.00e+00 - 0 105 108 0 201 3.030 7.235 1 U 1.466e+04 0.00e+00 - 0 104 108 0 204 2.887 7.170 1 U 1.498e+04 0.00e+00 - 0 63 85 0 205 1.200 7.077 1 U 1.102e+04 0.00e+00 - 0 53 84 0 206 1.405 1.400 1 U 7.875e+05 0.00e+00 - 0 54 54 0 207 1.200 1.196 1 U 5.644e+06 0.00e+00 - 0 53 53 0 208 6.976 1.400 1 U 7.181e+03 0.00e+00 - 0 65 54 0 209 6.976 1.196 1 U 5.656e+03 0.00e+00 - 0 65 53 0 210 6.976 2.887 1 U 4.711e+04 0.00e+00 - 0 65 63 0 211 2.887 2.887 1 U 1.623e+06 0.00e+00 - 0 63 63 0 212 7.232 3.210 1 U 3.777e+04 0.00e+00 - 0 18 16 0 213 3.210 3.210 1 U 1.012e+06 0.00e+00 - 0 16 16 0 214 7.898 1.400 1 U 1.160e+04 0.00e+00 - 0 77 54 0 216 1.200 4.049 1 U 3.656e+04 0.00e+00 - 0 53 51 0 217 1.405 4.049 1 U 3.604e+04 0.00e+00 - 0 54 51 0 218 4.049 1.400 1 U 2.913e+04 0.00e+00 - 0 51 54 0 219 4.049 1.196 1 U 2.813e+04 0.00e+00 - 0 51 53 0 220 8.270 8.016 1 U 7.147e+03 0.00e+00 - 0 49 100 0 221 8.031 8.270 1 U 5.681e+03 0.00e+00 - 0 0 49 0 222 8.016 7.898 1 U 4.222e+04 0.00e+00 - 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0 108 108 0 317 1.386 4.494 1 U 2.865e+03 0.00e+00 - 0 0 42 0 318 1.581 4.494 1 U 1.250e+03 0.00e+00 - 0 0 42 0 319 4.494 1.574 1 U 1.796e+03 0.00e+00 - 0 42 10 0 320 4.505 1.377 1 U 5.424e+03 0.00e+00 - 0 0 33 0 321 2.046 4.287 1 U 1.811e+03 0.00e+00 - 0 0 32 0 322 1.964 4.287 1 U 1.676e+03 0.00e+00 - 0 0 32 0 323 1.701 4.287 1 U 1.565e+03 0.00e+00 - 0 0 32 0 324 1.571 4.287 1 U 2.290e+03 0.00e+00 - 0 0 32 0 325 1.405 2.551 1 U 1.412e+03 0.00e+00 - 0 54 83 0 326 1.200 2.551 1 U 1.965e+03 0.00e+00 - 0 53 83 0 327 1.389 3.210 1 U 1.366e+03 0.00e+00 - 0 0 16 0 328 1.387 3.287 1 U 1.881e+03 0.00e+00 - 0 0 45 0 329 6.976 3.020 1 U 5.118e+03 0.00e+00 - 0 65 0 0 331 4.716 3.084 1 U 1.929e+04 0.00e+00 - 0 125 127 0 332 4.716 3.276 1 U 3.536e+04 0.00e+00 - 0 125 128 0 340 8.308 1.377 1 U 3.356e+04 0.00e+00 - 0 40 33 0 342 8.308 2.032 1 U 2.711e+03 0.00e+00 - 0 40 7 0 343 8.308 1.979 1 U 3.012e+03 0.00e+00 - 0 40 6 0 344 8.308 1.688 1 U 3.812e+03 0.00e+00 - 0 40 11 0 345 2.032 8.308 1 U 4.337e+03 0.00e+00 - 0 7 40 0 346 1.979 8.308 1 U 3.689e+03 0.00e+00 - 0 6 40 0 347 1.377 8.308 1 U 3.462e+04 0.00e+00 - 0 33 40 0 348 2.887 7.898 1 U 3.864e+03 0.00e+00 - 0 63 77 0 349 2.887 8.270 1 U 5.480e+03 0.00e+00 - 0 63 49 0 350 7.898 2.887 1 U 2.264e+03 0.00e+00 - 0 77 63 0 351 8.270 2.887 1 U 4.114e+03 0.00e+00 - 0 49 63 0 352 3.026 7.898 1 U 5.319e+03 0.00e+00 - 0 44 77 0 355 1.200 8.016 1 U 1.796e+03 0.00e+00 - 0 53 100 0 356 2.551 8.270 1 U 2.680e+03 0.00e+00 - 0 83 49 0 357 8.279 2.551 1 U 1.955e+03 0.00e+00 - 0 0 83 0 359 7.898 0.986 1 U 3.009e+03 0.00e+00 - 0 77 57 0 360 6.987 1.574 1 U 3.447e+03 0.00e+00 - 0 0 10 0 361 6.987 1.688 1 U 2.720e+03 0.00e+00 - 0 0 11 0 364 6.987 8.614 1 U 1.158e+03 0.00e+00 - 0 0 30 0 366 7.335 7.235 1 U 4.883e+05 0.00e+00 - 0 107 108 0 367 7.235 7.335 1 U 4.912e+05 0.00e+00 - 0 108 107 0 368 7.908 7.170 1 U 4.614e+03 0.00e+00 - 0 0 85 0 369 7.178 7.898 1 U 2.339e+03 0.00e+00 - 0 0 77 0 370 3.030 2.551 1 U 2.841e+03 0.00e+00 - 0 104 83 0 371 2.551 3.030 1 U 2.579e+03 0.00e+00 - 0 83 104 0 376 4.049 8.016 1 U 1.748e+03 0.00e+00 - 0 51 100 0 377 8.023 7.235 1 U 5.078e+03 0.00e+00 - 0 0 108 0 378 7.245 8.016 1 U 2.239e+03 0.00e+00 - 0 0 100 0 379 7.242 8.308 1 U 1.955e+03 0.00e+00 - 0 0 40 0 381 8.279 6.976 1 U 2.043e+03 0.00e+00 - 0 0 65 0 382 3.335 2.551 1 U 1.485e+03 0.00e+00 - 0 0 83 0 383 2.551 3.330 1 U 9.563e+02 0.00e+00 - 0 83 0 0 386 8.023 1.992 1 U 1.074e+03 0.00e+00 - 0 0 6 0 387 4.297 3.287 1 U 1.489e+03 0.00e+00 - 0 0 45 0 388 3.209 4.494 1 U 2.222e+03 0.00e+00 - 0 0 42 0 389 4.507 3.210 1 U 4.221e+03 0.00e+00 - 0 0 16 0 390 3.216 4.287 1 U 1.242e+03 0.00e+00 - 0 0 32 0 391 4.297 3.026 1 U 1.629e+03 0.00e+00 - 0 0 44 0 392 4.057 2.551 1 U 9.677e+02 0.00e+00 - 0 0 83 0 393 2.539 4.049 1 U 9.407e+02 0.00e+00 - 0 0 51 0 394 0.980 2.551 1 U 7.025e+02 0.00e+00 - 0 0 83 0 395 1.124 2.551 1 U 6.321e+02 0.00e+00 - 0 0 83 0 397 7.091 4.049 1 U 1.147e+03 0.00e+00 - 0 0 51 0 398 -0.104 -0.110 1 U 1.033e+04 0.00e+00 - 0 0 0 0 399 4.154 8.308 1 U 2.756e+03 0.00e+00 - 0 4 40 0 400 1.405 8.016 1 U 2.293e+03 0.00e+00 - 0 54 100 0 401 3.287 7.898 1 U 3.818e+03 0.00e+00 - 0 45 77 0 402 3.026 8.270 1 U 1.265e+04 0.00e+00 - 0 44 49 0 403 3.287 8.270 1 U 9.611e+03 0.00e+00 - 0 45 49 0 ; loop_ _Spectral_dim.ID _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_source_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 H 1 H . folded 12000 Hz 4.76 . . c34016_5lff 1 2 H 1 H . folded 12000 Hz 4.76 . . c34016_5lff 1 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 3 $software_3 . . c34016_5lff 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 c34016_5lff _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 c34016_5lff _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 . . . c34016_5lff 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 . . . . c34016_5lff 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 ARG C C 1.978 -7.599 -0.910 . . . 1.0 . . . . . . . . . . . . A . 1 ARG C . . . . . . . . . c34016_5lff 1 . 1 . 2 . 1 1 1 ARG CA C 0.904 -8.684 -0.625 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CA . . . . . . . . . c34016_5lff 1 . 1 . 3 . 1 1 1 ARG CB C -0.103 -8.243 0.473 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CB . . . . . . . . . c34016_5lff 1 . 1 . 4 . 1 1 1 ARG CD C -1.958 -6.548 1.180 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CD . . . . . . . . . c34016_5lff 1 . 1 . 5 . 1 1 1 ARG CG C -1.044 -7.082 0.059 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CG . . . . . . . . . c34016_5lff 1 . 1 . 6 . 1 1 1 ARG CZ C -3.888 -7.337 2.570 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CZ . . . . . . . . . c34016_5lff 1 . 1 . 7 . 1 1 1 ARG H2 H 1.869 -10.460 -1.054 . . . 1.0 . . . . . . . . . . . . A . 1 ARG H2 . . . . . . . . . c34016_5lff 1 . 1 . 8 . 1 1 1 ARG HA H 0.330 -8.909 -1.545 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HA . . . . . . . . . c34016_5lff 1 . 1 . 9 . 1 1 1 ARG HB2 H -0.731 -9.107 0.766 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HB2 . . . . . . . . . c34016_5lff 1 . 1 . 10 . 1 1 1 ARG HB3 H 0.448 -7.965 1.393 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HB3 . . . . . . . . . c34016_5lff 1 . 1 . 11 . 1 1 1 ARG HD2 H -1.341 -6.248 2.051 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HD2 . . . . . . . . . c34016_5lff 1 . 1 . 12 . 1 1 1 ARG HD3 H -2.448 -5.620 0.824 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HD3 . . . . . . . . . c34016_5lff 1 . 1 . 13 . 1 1 1 ARG HE H -3.060 -8.448 1.131 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HE . . . . . . . . . c34016_5lff 1 . 1 . 14 . 1 1 1 ARG HG2 H -0.433 -6.232 -0.299 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HG2 . . . . . . . . . c34016_5lff 1 . 1 . 15 . 1 1 1 ARG HG3 H -1.653 -7.380 -0.815 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HG3 . . . . . . . . . c34016_5lff 1 . 1 . 16 . 1 1 1 ARG HH11 H -5.403 -8.144 3.598 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH11 . . . . . . . . . c34016_5lff 1 . 1 . 17 . 1 1 1 ARG HH12 H -4.644 -9.164 2.280 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH12 . . . . . . . . . c34016_5lff 1 . 1 . 18 . 1 1 1 ARG HH21 H -4.694 -6.187 4.011 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH21 . . . . . . . . . c34016_5lff 1 . 1 . 19 . 1 1 1 ARG HH22 H -3.302 -5.485 3.046 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH22 . . . . . . . . . c34016_5lff 1 . 1 . 20 . 1 1 1 ARG N N 1.560 -9.946 -0.216 . . . 1.0 . . . . . . . . . . . . A . 1 ARG N . . . . . . . . . c34016_5lff 1 . 1 . 21 . 1 1 1 ARG NE N -2.995 -7.532 1.586 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NE . . . . . . . . . c34016_5lff 1 . 1 . 22 . 1 1 1 ARG NH1 N -4.731 -8.310 2.842 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NH1 . . . . . . . . . c34016_5lff 1 . 1 . 23 . 1 1 1 ARG NH2 N -3.973 -6.222 3.284 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NH2 . . . . . . . . . c34016_5lff 1 . 1 . 24 . 1 1 1 ARG O O 2.824 -7.305 -0.057 . . . 1.0 . . . . . . . . . . . . A . 1 ARG O . . . . . . . . . c34016_5lff 1 . 1 . 25 . 1 1 2 ALA C C 2.004 -4.442 -1.976 . . . 1.0 . . . . . . . . . . . . A . 2 ALA C . . . . . . . . . c34016_5lff 1 . 1 . 26 . 1 1 2 ALA CA C 2.708 -5.761 -2.418 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CA . . . . . . . . . c34016_5lff 1 . 1 . 27 . 1 1 2 ALA CB C 3.019 -5.816 -3.929 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CB . . . . . . . . . c34016_5lff 1 . 1 . 28 . 1 1 2 ALA H H 1.130 -7.279 -2.705 . . . 1.0 . . . . . . . . . . . . A . 2 ALA H . . . . . . . . . c34016_5lff 1 . 1 . 29 . 1 1 2 ALA HA H 3.689 -5.818 -1.904 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HA . . . . . . . . . c34016_5lff 1 . 1 . 30 . 1 1 2 ALA HB1 H 2.103 -5.773 -4.549 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB1 . . . . . . . . . c34016_5lff 1 . 1 . 31 . 1 1 2 ALA HB2 H 3.656 -4.966 -4.238 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB2 . . . . . . . . . c34016_5lff 1 . 1 . 32 . 1 1 2 ALA HB3 H 3.563 -6.739 -4.208 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB3 . . . . . . . . . c34016_5lff 1 . 1 . 33 . 1 1 2 ALA N N 1.884 -6.954 -2.088 . . . 1.0 . . . . . . . . . . . . A . 2 ALA N . . . . . . . . . c34016_5lff 1 . 1 . 34 . 1 1 2 ALA O O 1.469 -3.696 -2.805 . . . 1.0 . . . . . . . . . . . . A . 2 ALA O . . . . . . . . . c34016_5lff 1 . 1 . 35 . 1 1 3 CYS C C -0.149 -2.812 -0.196 . . . 1.0 . . . . . . . . . . . . A . 3 CYS C . . . . . . . . . c34016_5lff 1 . 1 . 36 . 1 1 3 CYS CA C 1.409 -2.940 -0.036 . . . 1.0 . . . . . . . . . . . . A . 3 CYS CA . . . . . . . . . c34016_5lff 1 . 1 . 37 . 1 1 3 CYS CB C 2.210 -1.679 -0.482 . . . 1.0 . . . . . . . . . . . . A . 3 CYS CB . . . . . . . . . c34016_5lff 1 . 1 . 38 . 1 1 3 CYS H H 2.478 -4.876 -0.078 . . . 1.0 . . . . . . . . . . . . A . 3 CYS H . . . . . . . . . c34016_5lff 1 . 1 . 39 . 1 1 3 CYS HA H 1.596 -3.049 1.049 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HA . . . . . . . . . c34016_5lff 1 . 1 . 40 . 1 1 3 CYS HB2 H 3.301 -1.863 -0.449 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HB2 . . . . . . . . . c34016_5lff 1 . 1 . 41 . 1 1 3 CYS HB3 H 1.975 -1.413 -1.530 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HB3 . . . . . . . . . c34016_5lff 1 . 1 . 42 . 1 1 3 CYS N N 2.012 -4.163 -0.649 . . . 1.0 . . . . . . . . . . . . A . 3 CYS N . . . . . . . . . c34016_5lff 1 . 1 . 43 . 1 1 3 CYS O O -0.790 -3.508 -0.990 . . . 1.0 . . . . . . . . . . . . A . 3 CYS O . . . . . . . . . c34016_5lff 1 . 1 . 44 . 1 1 3 CYS SG S 1.873 -0.246 0.561 . . . 1.0 . . . . . . . . . . . . A . 3 CYS SG . . . . . . . . . c34016_5lff 1 . 1 . 45 . 1 1 4 ARG C C -1.804 -0.336 -1.203 . . . 1.0 . . . . . . . . . . . . A . 4 ARG C . . . . . . . . . c34016_5lff 1 . 1 . 46 . 1 1 4 ARG CA C -2.020 -1.191 0.092 . . . 1.0 . . . . . . . . . . . . A . 4 ARG CA . . . . . . . . . c34016_5lff 1 . 1 . 47 . 1 1 4 ARG CB C -2.600 -0.347 1.269 . . . 1.0 . . . . . . . . . . . . A . 4 ARG CB . . . . . . . . . c34016_5lff 1 . 1 . 48 . 1 1 4 ARG CD C -3.859 -0.418 3.560 . . . 1.0 . . . . . . . . . . . . A . 4 ARG CD . . . . . . . . . c34016_5lff 1 . 1 . 49 . 1 1 4 ARG CG C -3.612 -1.077 2.185 . . . 1.0 . . . . . . . . . . . . A . 4 ARG CG . . . . . . . . . c34016_5lff 1 . 1 . 50 . 1 1 4 ARG CZ C -4.476 1.800 4.556 . . . 1.0 . . . . . . . . . . . . A . 4 ARG CZ . . . . . . . . . c34016_5lff 1 . 1 . 51 . 1 1 4 ARG H H -0.119 -1.379 1.183 . . . 1.0 . . . . . . . . . . . . A . 4 ARG H . . . . . . . . . c34016_5lff 1 . 1 . 52 . 1 1 4 ARG HA H -2.760 -1.974 -0.167 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HA . . . . . . . . . c34016_5lff 1 . 1 . 53 . 1 1 4 ARG HB2 H -1.779 0.086 1.876 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HB2 . . . . . . . . . c34016_5lff 1 . 1 . 54 . 1 1 4 ARG HB3 H -3.125 0.544 0.870 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HB3 . . . . . . . . . c34016_5lff 1 . 1 . 55 . 1 1 4 ARG HD2 H -4.633 -1.000 4.098 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HD2 . . . . . . . . . c34016_5lff 1 . 1 . 56 . 1 1 4 ARG HD3 H -2.940 -0.507 4.169 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HD3 . . . . . . . . . c34016_5lff 1 . 1 . 57 . 1 1 4 ARG HE H -4.315 1.503 2.588 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HE . . . . . . . . . c34016_5lff 1 . 1 . 58 . 1 1 4 ARG HG2 H -4.573 -1.186 1.646 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HG2 . . . . . . . . . c34016_5lff 1 . 1 . 59 . 1 1 4 ARG HG3 H -3.266 -2.112 2.363 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HG3 . . . . . . . . . c34016_5lff 1 . 1 . 60 . 1 1 4 ARG HH11 H -4.836 3.664 5.182 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HH11 . . . . . . . . . c34016_5lff 1 . 1 . 61 . 1 1 4 ARG HH12 H -4.684 3.401 3.375 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HH12 . . . . . . . . . c34016_5lff 1 . 1 . 62 . 1 1 4 ARG HH21 H -4.637 2.055 6.547 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HH21 . . . . . . . . . c34016_5lff 1 . 1 . 63 . 1 1 4 ARG HH22 H -4.303 0.360 5.936 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HH22 . . . . . . . . . c34016_5lff 1 . 1 . 64 . 1 1 4 ARG N N -0.752 -1.854 0.531 . . . 1.0 . . . . . . . . . . . . A . 4 ARG N . . . . . . . . . c34016_5lff 1 . 1 . 65 . 1 1 4 ARG NE N -4.275 1.010 3.487 . . . 1.0 . . . . . . . . . . . . A . 4 ARG NE . . . . . . . . . c34016_5lff 1 . 1 . 66 . 1 1 4 ARG NH1 N -4.697 3.081 4.349 . . . 1.0 . . . . . . . . . . . . A . 4 ARG NH1 . . . . . . . . . c34016_5lff 1 . 1 . 67 . 1 1 4 ARG NH2 N -4.468 1.364 5.809 . . . 1.0 . . . . . . . . . . . . A . 4 ARG NH2 . . . . . . . . . c34016_5lff 1 . 1 . 68 . 1 1 4 ARG O O -2.402 -0.629 -2.240 . . . 1.0 . . . . . . . . . . . . A . 4 ARG O . . . . . . . . . c34016_5lff 1 . 1 . 69 . 1 1 5 PHE C C 0.725 2.348 -1.938 . . . 1.0 . . . . . . . . . . . . A . 5 PHE C . . . . . . . . . c34016_5lff 1 . 1 . 70 . 1 1 5 PHE CA C -0.606 1.600 -2.262 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CA . . . . . . . . . c34016_5lff 1 . 1 . 71 . 1 1 5 PHE CB C -1.768 2.516 -2.775 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CB . . . . . . . . . c34016_5lff 1 . 1 . 72 . 1 1 5 PHE CD1 C -3.760 2.715 -1.194 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CD1 . . . . . . . . . c34016_5lff 1 . 1 . 73 . 1 1 5 PHE CD2 C -2.238 4.584 -1.335 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CD2 . . . . . . . . . c34016_5lff 1 . 1 . 74 . 1 1 5 PHE CE1 C -4.509 3.396 -0.239 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CE1 . . . . . . . . . c34016_5lff 1 . 1 . 75 . 1 1 5 PHE CE2 C -2.987 5.262 -0.377 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CE2 . . . . . . . . . c34016_5lff 1 . 1 . 76 . 1 1 5 PHE CG C -2.610 3.297 -1.740 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CG . . . . . . . . . c34016_5lff 1 . 1 . 77 . 1 1 5 PHE CZ C -4.120 4.669 0.171 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CZ . . . . . . . . . c34016_5lff 1 . 1 . 78 . 1 1 5 PHE H H -0.515 0.819 -0.203 . . . 1.0 . . . . . . . . . . . . A . 5 PHE H . . . . . . . . . c34016_5lff 1 . 1 . 79 . 1 1 5 PHE HA H -0.358 0.940 -3.118 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HA . . . . . . . . . c34016_5lff 1 . 1 . 80 . 1 1 5 PHE HB2 H -1.365 3.218 -3.530 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HB2 . . . . . . . . . c34016_5lff 1 . 1 . 81 . 1 1 5 PHE HB3 H -2.453 1.884 -3.373 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HB3 . . . . . . . . . c34016_5lff 1 . 1 . 82 . 1 1 5 PHE HD1 H -4.073 1.727 -1.502 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HD1 . . . . . . . . . c34016_5lff 1 . 1 . 83 . 1 1 5 PHE HD2 H -1.360 5.057 -1.752 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HD2 . . . . . . . . . c34016_5lff 1 . 1 . 84 . 1 1 5 PHE HE1 H -5.394 2.938 0.179 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HE1 . . . . . . . . . c34016_5lff 1 . 1 . 85 . 1 1 5 PHE HE2 H -2.688 6.252 -0.060 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HE2 . . . . . . . . . c34016_5lff 1 . 1 . 86 . 1 1 5 PHE HZ H -4.703 5.197 0.911 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HZ . . . . . . . . . c34016_5lff 1 . 1 . 87 . 1 1 5 PHE N N -0.954 0.705 -1.123 . . . 1.0 . . . . . . . . . . . . A . 5 PHE N . . . . . . . . . c34016_5lff 1 . 1 . 88 . 1 1 5 PHE O O 1.713 2.158 -2.651 . . . 1.0 . . . . . . . . . . . . A . 5 PHE O . . . . . . . . . c34016_5lff 1 . 1 . 89 . 1 1 6 PHE C C 2.477 3.181 0.914 . . . 1.0 . . . . . . . . . . . . A . 6 PHE C . . . . . . . . . c34016_5lff 1 . 1 . 90 . 1 1 6 PHE CA C 1.973 3.870 -0.391 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CA . . . . . . . . . c34016_5lff 1 . 1 . 91 . 1 1 6 PHE CB C 1.604 5.371 -0.204 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CB . . . . . . . . . c34016_5lff 1 . 1 . 92 . 1 1 6 PHE CD1 C 3.765 6.680 -0.587 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CD1 . . . . . . . . . c34016_5lff 1 . 1 . 93 . 1 1 6 PHE CD2 C 2.775 6.714 1.617 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CD2 . . . . . . . . . c34016_5lff 1 . 1 . 94 . 1 1 6 PHE CE1 C 4.801 7.493 -0.132 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CE1 . . . . . . . . . c34016_5lff 1 . 1 . 95 . 1 1 6 PHE CE2 C 3.810 7.528 2.069 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CE2 . . . . . . . . . c34016_5lff 1 . 1 . 96 . 1 1 6 PHE CG C 2.744 6.283 0.285 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CG . . . . . . . . . c34016_5lff 1 . 1 . 97 . 1 1 6 PHE CZ C 4.822 7.917 1.195 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CZ . . . . . . . . . c34016_5lff 1 . 1 . 98 . 1 1 6 PHE H H -0.137 3.240 -0.362 . . . 1.0 . . . . . . . . . . . . A . 6 PHE H . . . . . . . . . c34016_5lff 1 . 1 . 99 . 1 1 6 PHE HA H 2.764 3.835 -1.169 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HA . . . . . . . . . c34016_5lff 1 . 1 . 100 . 1 1 6 PHE HB2 H 1.228 5.775 -1.165 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HB2 . . . . . . . . . c34016_5lff 1 . 1 . 101 . 1 1 6 PHE HB3 H 0.734 5.460 0.478 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HB3 . . . . . . . . . c34016_5lff 1 . 1 . 102 . 1 1 6 PHE HD1 H 3.762 6.355 -1.618 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HD1 . . . . . . . . . c34016_5lff 1 . 1 . 103 . 1 1 6 PHE HD2 H 1.999 6.415 2.308 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HD2 . . . . . . . . . c34016_5lff 1 . 1 . 104 . 1 1 6 PHE HE1 H 5.587 7.795 -0.807 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HE1 . . . . . . . . . c34016_5lff 1 . 1 . 105 . 1 1 6 PHE HE2 H 3.828 7.858 3.098 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HE2 . . . . . . . . . c34016_5lff 1 . 1 . 106 . 1 1 6 PHE HZ H 5.624 8.550 1.547 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HZ . . . . . . . . . c34016_5lff 1 . 1 . 107 . 1 1 6 PHE N N 0.756 3.164 -0.863 . . . 1.0 . . . . . . . . . . . . A . 6 PHE N . . . . . . . . . c34016_5lff 1 . 1 . 108 . 1 1 6 PHE O O 1.807 3.226 1.951 . . . 1.0 . . . . . . . . . . . . A . 6 PHE O . . . . . . . . . c34016_5lff 1 . 1 . 109 . 1 1 7 CYS C C 5.743 2.786 2.121 . . . 1.0 . . . . . . . . . . . . A . 7 CYS C . . . . . . . . . c34016_5lff 1 . 1 . 110 . 1 1 7 CYS CA C 4.395 2.050 2.031 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CA . . . . . . . . . c34016_5lff 1 . 1 . 111 . 1 1 7 CYS CB C 4.566 0.519 1.945 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CB . . . . . . . . . c34016_5lff 1 . 1 . 112 . 1 1 7 CYS H H 4.124 2.611 -0.079 . . . 1.0 . . . . . . . . . . . . A . 7 CYS H . . . . . . . . . c34016_5lff 1 . 1 . 113 . 1 1 7 CYS HA H 3.847 2.270 2.968 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HA . . . . . . . . . c34016_5lff 1 . 1 . 114 . 1 1 7 CYS HB2 H 4.999 0.203 0.977 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB2 . . . . . . . . . c34016_5lff 1 . 1 . 115 . 1 1 7 CYS HB3 H 5.268 0.166 2.724 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB3 . . . . . . . . . c34016_5lff 1 . 1 . 116 . 1 1 7 CYS N N 3.679 2.580 0.846 . . . 1.0 . . . . . . . . . . . . A . 7 CYS N . . . . . . . . . c34016_5lff 1 . 1 . 117 . 1 1 7 CYS O O 6.802 2.505 1.324 . . . 1.0 . . . . . . . . . . . . A . 7 CYS O . . . . . . . . . c34016_5lff 1 . 1 . 118 . 1 1 7 CYS OXT O 5.763 3.762 3.096 . . . 1.0 . . . . . . . . . . . . A . 7 CYS OXT . . . . . . . . . c34016_5lff 1 . 1 . 119 . 1 1 7 CYS SG S 2.993 -0.324 2.214 . . . 1.0 . . . . . . . . . . . . A . 7 CYS SG . . . . . . . . . c34016_5lff 1 . 2 . 120 . 1 1 1 ARG C C 1.888 -7.690 -0.838 . . . 1.0 . . . . . . . . . . . . A . 1 ARG C . . . . . . . . . c34016_5lff 1 . 2 . 121 . 1 1 1 ARG CA C 0.796 -8.800 -0.669 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CA . . . . . . . . . c34016_5lff 1 . 2 . 122 . 1 1 1 ARG CB C -0.250 -8.385 0.414 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CB . . . . . . . . . c34016_5lff 1 . 2 . 123 . 1 1 1 ARG CD C -2.264 -6.955 1.220 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CD . . . . . . . . . c34016_5lff 1 . 2 . 124 . 1 1 1 ARG CG C -1.158 -7.156 0.152 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CG . . . . . . . . . c34016_5lff 1 . 2 . 125 . 1 1 1 ARG CZ C -4.255 -8.237 2.042 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CZ . . . . . . . . . c34016_5lff 1 . 2 . 126 . 1 1 1 ARG H2 H 2.188 -10.388 -0.812 . . . 1.0 . . . . . . . . . . . . A . 1 ARG H2 . . . . . . . . . c34016_5lff 1 . 2 . 127 . 1 1 1 ARG HA H 0.249 -8.948 -1.632 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HA . . . . . . . . . c34016_5lff 1 . 2 . 128 . 1 1 1 ARG HB2 H -0.879 -9.285 0.614 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HB2 . . . . . . . . . c34016_5lff 1 . 2 . 129 . 1 1 1 ARG HB3 H 0.310 -8.226 1.356 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HB3 . . . . . . . . . c34016_5lff 1 . 2 . 130 . 1 1 1 ARG HD2 H -1.766 -6.860 2.223 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HD2 . . . . . . . . . c34016_5lff 1 . 2 . 131 . 1 1 1 ARG HD3 H -2.763 -5.985 1.059 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HD3 . . . . . . . . . c34016_5lff 1 . 2 . 132 . 1 1 1 ARG HE H -3.244 -8.778 0.454 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HE . . . . . . . . . c34016_5lff 1 . 2 . 133 . 1 1 1 ARG HG2 H -0.539 -6.228 0.109 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HG2 . . . . . . . . . c34016_5lff 1 . 2 . 134 . 1 1 1 ARG HG3 H -1.625 -7.238 -0.864 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HG3 . . . . . . . . . c34016_5lff 1 . 2 . 135 . 1 1 1 ARG HH11 H -5.721 -9.472 2.609 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH11 . . . . . . . . . c34016_5lff 1 . 2 . 136 . 1 1 1 ARG HH12 H -4.838 -9.921 1.104 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH12 . . . . . . . . . c34016_5lff 1 . 2 . 137 . 1 1 1 ARG HH21 H -5.216 -7.660 3.704 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH21 . . . . . . . . . c34016_5lff 1 . 2 . 138 . 1 1 1 ARG HH22 H -3.822 -6.638 3.107 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH22 . . . . . . . . . c34016_5lff 1 . 2 . 139 . 1 1 1 ARG N N 1.372 -10.112 -0.251 . . . 1.0 . . . . . . . . . . . . A . 1 ARG N . . . . . . . . . c34016_5lff 1 . 2 . 140 . 1 1 1 ARG NE N -3.297 -8.028 1.141 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NE . . . . . . . . . c34016_5lff 1 . 2 . 141 . 1 1 1 ARG NH1 N -4.998 -9.302 1.913 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NH1 . . . . . . . . . c34016_5lff 1 . 2 . 142 . 1 1 1 ARG NH2 N -4.457 -7.445 3.066 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NH2 . . . . . . . . . c34016_5lff 1 . 2 . 143 . 1 1 1 ARG O O 2.549 -7.331 0.141 . . . 1.0 . . . . . . . . . . . . A . 1 ARG O . . . . . . . . . c34016_5lff 1 . 2 . 144 . 1 1 2 ALA C C 2.139 -4.620 -1.906 . . . 1.0 . . . . . . . . . . . . A . 2 ALA C . . . . . . . . . c34016_5lff 1 . 2 . 145 . 1 1 2 ALA CA C 2.885 -5.939 -2.270 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CA . . . . . . . . . c34016_5lff 1 . 2 . 146 . 1 1 2 ALA CB C 3.346 -6.042 -3.738 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CB . . . . . . . . . c34016_5lff 1 . 2 . 147 . 1 1 2 ALA H H 1.406 -7.485 -2.782 . . . 1.0 . . . . . . . . . . . . A . 2 ALA H . . . . . . . . . c34016_5lff 1 . 2 . 148 . 1 1 2 ALA HA H 3.762 -6.033 -1.620 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HA . . . . . . . . . c34016_5lff 1 . 2 . 149 . 1 1 2 ALA HB1 H 2.500 -6.003 -4.464 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB1 . . . . . . . . . c34016_5lff 1 . 2 . 150 . 1 1 2 ALA HB2 H 3.987 -5.179 -3.968 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB2 . . . . . . . . . c34016_5lff 1 . 2 . 151 . 1 1 2 ALA HB3 H 3.921 -6.945 -3.949 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB3 . . . . . . . . . c34016_5lff 1 . 2 . 152 . 1 1 2 ALA N N 2.022 -7.138 -2.046 . . . 1.0 . . . . . . . . . . . . A . 2 ALA N . . . . . . . . . c34016_5lff 1 . 2 . 153 . 1 1 2 ALA O O 1.558 -3.984 -2.785 . . . 1.0 . . . . . . . . . . . . A . 2 ALA O . . . . . . . . . c34016_5lff 1 . 2 . 154 . 1 1 3 CYS C C -0.025 -2.812 -0.327 . . . 1.0 . . . . . . . . . . . . A . 3 CYS C . . . . . . . . . c34016_5lff 1 . 2 . 155 . 1 1 3 CYS CA C 1.544 -2.948 -0.090 . . . 1.0 . . . . . . . . . . . . A . 3 CYS CA . . . . . . . . . c34016_5lff 1 . 2 . 156 . 1 1 3 CYS CB C 2.406 -1.759 -0.649 . . . 1.0 . . . . . . . . . . . . A . 3 CYS CB . . . . . . . . . c34016_5lff 1 . 2 . 157 . 1 1 3 CYS H H 2.550 -4.927 0.011 . . . 1.0 . . . . . . . . . . . . A . 3 CYS H . . . . . . . . . c34016_5lff 1 . 2 . 158 . 1 1 3 CYS HA H 1.675 -2.992 1.017 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HA . . . . . . . . . c34016_5lff 1 . 2 . 159 . 1 1 3 CYS HB2 H 3.501 -1.985 -0.597 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HB2 . . . . . . . . . c34016_5lff 1 . 2 . 160 . 1 1 3 CYS HB3 H 2.177 -1.623 -1.734 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HB3 . . . . . . . . . c34016_5lff 1 . 2 . 161 . 1 1 3 CYS N N 2.179 -4.213 -0.614 . . . 1.0 . . . . . . . . . . . . A . 3 CYS N . . . . . . . . . c34016_5lff 1 . 2 . 162 . 1 1 3 CYS O O -0.648 -3.657 -0.938 . . . 1.0 . . . . . . . . . . . . A . 3 CYS O . . . . . . . . . c34016_5lff 1 . 2 . 163 . 1 1 3 CYS SG S 2.120 -0.203 0.209 . . . 1.0 . . . . . . . . . . . . A . 3 CYS SG . . . . . . . . . c34016_5lff 1 . 2 . 164 . 1 1 4 ARG C C -1.893 -0.279 -1.263 . . . 1.0 . . . . . . . . . . . . A . 4 ARG C . . . . . . . . . c34016_5lff 1 . 2 . 165 . 1 1 4 ARG CA C -2.033 -1.349 -0.136 . . . 1.0 . . . . . . . . . . . . A . 4 ARG CA . . . . . . . . . c34016_5lff 1 . 2 . 166 . 1 1 4 ARG CB C -2.971 -0.896 1.013 . . . 1.0 . . . . . . . . . . . . A . 4 ARG CB . . . . . . . . . c34016_5lff 1 . 2 . 167 . 1 1 4 ARG CD C -4.540 -1.536 2.980 . . . 1.0 . . . . . . . . . . . . A . 4 ARG CD . . . . . . . . . c34016_5lff 1 . 2 . 168 . 1 1 4 ARG CG C -3.482 -2.034 1.942 . . . 1.0 . . . . . . . . . . . . A . 4 ARG CG . . . . . . . . . c34016_5lff 1 . 2 . 169 . 1 1 4 ARG CZ C -6.508 -0.077 2.317 . . . 1.0 . . . . . . . . . . . . A . 4 ARG CZ . . . . . . . . . c34016_5lff 1 . 2 . 170 . 1 1 4 ARG H H -0.059 -1.199 0.862 . . . 1.0 . . . . . . . . . . . . A . 4 ARG H . . . . . . . . . c34016_5lff 1 . 2 . 171 . 1 1 4 ARG HA H -2.545 -2.200 -0.620 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HA . . . . . . . . . c34016_5lff 1 . 2 . 172 . 1 1 4 ARG HB2 H -2.477 -0.068 1.591 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HB2 . . . . . . . . . c34016_5lff 1 . 2 . 173 . 1 1 4 ARG HB3 H -3.879 -0.425 0.519 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HB3 . . . . . . . . . c34016_5lff 1 . 2 . 174 . 1 1 4 ARG HD2 H -4.652 -2.333 3.757 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HD2 . . . . . . . . . c34016_5lff 1 . 2 . 175 . 1 1 4 ARG HD3 H -4.113 -0.678 3.548 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HD3 . . . . . . . . . c34016_5lff 1 . 2 . 176 . 1 1 4 ARG HE H -6.312 -1.968 1.766 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HE . . . . . . . . . c34016_5lff 1 . 2 . 177 . 1 1 4 ARG HG2 H -3.926 -2.845 1.315 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HG2 . . . . . . . . . c34016_5lff 1 . 2 . 178 . 1 1 4 ARG HG3 H -2.627 -2.506 2.472 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HG3 . . . . . . . . . c34016_5lff 1 . 2 . 179 . 1 1 4 ARG HH11 H -8.121 0.919 1.652 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HH11 . . . . . . . . . c34016_5lff 1 . 2 . 180 . 1 1 4 ARG HH12 H -7.913 -0.801 1.135 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HH12 . . . . . . . . . c34016_5lff 1 . 2 . 181 . 1 1 4 ARG HH21 H -6.687 1.834 2.906 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HH21 . . . . . . . . . c34016_5lff 1 . 2 . 182 . 1 1 4 ARG HH22 H -5.294 0.886 3.619 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HH22 . . . . . . . . . c34016_5lff 1 . 2 . 183 . 1 1 4 ARG N N -0.696 -1.811 0.334 . . . 1.0 . . . . . . . . . . . . A . 4 ARG N . . . . . . . . . c34016_5lff 1 . 2 . 184 . 1 1 4 ARG NE N -5.868 -1.252 2.345 . . . 1.0 . . . . . . . . . . . . A . 4 ARG NE . . . . . . . . . c34016_5lff 1 . 2 . 185 . 1 1 4 ARG NH1 N -7.632 0.044 1.640 . . . 1.0 . . . . . . . . . . . . A . 4 ARG NH1 . . . . . . . . . c34016_5lff 1 . 2 . 186 . 1 1 4 ARG NH2 N -6.104 1.006 2.975 . . . 1.0 . . . . . . . . . . . . A . 4 ARG NH2 . . . . . . . . . c34016_5lff 1 . 2 . 187 . 1 1 4 ARG O O -2.454 -0.501 -2.342 . . . 1.0 . . . . . . . . . . . . A . 4 ARG O . . . . . . . . . c34016_5lff 1 . 2 . 188 . 1 1 5 PHE C C 0.494 2.535 -1.866 . . . 1.0 . . . . . . . . . . . . A . 5 PHE C . . . . . . . . . c34016_5lff 1 . 2 . 189 . 1 1 5 PHE CA C -0.908 1.873 -2.091 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CA . . . . . . . . . c34016_5lff 1 . 2 . 190 . 1 1 5 PHE CB C -2.101 2.875 -2.312 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CB . . . . . . . . . c34016_5lff 1 . 2 . 191 . 1 1 5 PHE CD1 C -3.111 3.550 -0.012 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CD1 . . . . . . . . . c34016_5lff 1 . 2 . 192 . 1 1 5 PHE CD2 C -2.043 5.236 -1.372 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CD2 . . . . . . . . . c34016_5lff 1 . 2 . 193 . 1 1 5 PHE CE1 C -3.349 4.511 0.973 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CE1 . . . . . . . . . c34016_5lff 1 . 2 . 194 . 1 1 5 PHE CE2 C -2.280 6.197 -0.383 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CE2 . . . . . . . . . c34016_5lff 1 . 2 . 195 . 1 1 5 PHE CG C -2.437 3.908 -1.183 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CG . . . . . . . . . c34016_5lff 1 . 2 . 196 . 1 1 5 PHE CZ C -2.938 5.818 0.782 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CZ . . . . . . . . . c34016_5lff 1 . 2 . 197 . 1 1 5 PHE H H -0.721 0.908 -0.135 . . . 1.0 . . . . . . . . . . . . A . 5 PHE H . . . . . . . . . c34016_5lff 1 . 2 . 198 . 1 1 5 PHE HA H -0.800 1.302 -3.034 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HA . . . . . . . . . c34016_5lff 1 . 2 . 199 . 1 1 5 PHE HB2 H -1.887 3.400 -3.268 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HB2 . . . . . . . . . c34016_5lff 1 . 2 . 200 . 1 1 5 PHE HB3 H -3.009 2.284 -2.528 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HB3 . . . . . . . . . c34016_5lff 1 . 2 . 201 . 1 1 5 PHE HD1 H -3.500 2.539 0.105 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HD1 . . . . . . . . . c34016_5lff 1 . 2 . 202 . 1 1 5 PHE HD2 H -1.554 5.570 -2.291 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HD2 . . . . . . . . . c34016_5lff 1 . 2 . 203 . 1 1 5 PHE HE1 H -3.887 4.269 1.876 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HE1 . . . . . . . . . c34016_5lff 1 . 2 . 204 . 1 1 5 PHE HE2 H -1.979 7.222 -0.498 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HE2 . . . . . . . . . c34016_5lff 1 . 2 . 205 . 1 1 5 PHE HZ H -3.075 6.560 1.566 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HZ . . . . . . . . . c34016_5lff 1 . 2 . 206 . 1 1 5 PHE N N -1.220 0.864 -1.025 . . . 1.0 . . . . . . . . . . . . A . 5 PHE N . . . . . . . . . c34016_5lff 1 . 2 . 207 . 1 1 5 PHE O O 1.379 2.315 -2.689 . . . 1.0 . . . . . . . . . . . . A . 5 PHE O . . . . . . . . . c34016_5lff 1 . 2 . 208 . 1 1 6 PHE C C 2.608 3.320 0.928 . . . 1.0 . . . . . . . . . . . . A . 6 PHE C . . . . . . . . . c34016_5lff 1 . 2 . 209 . 1 1 6 PHE CA C 2.023 3.872 -0.426 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CA . . . . . . . . . c34016_5lff 1 . 2 . 210 . 1 1 6 PHE CB C 1.859 5.416 -0.416 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CB . . . . . . . . . c34016_5lff 1 . 2 . 211 . 1 1 6 PHE CD1 C 3.946 6.432 -1.464 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CD1 . . . . . . . . . c34016_5lff 1 . 2 . 212 . 1 1 6 PHE CD2 C 3.596 6.678 0.903 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CD2 . . . . . . . . . c34016_5lff 1 . 2 . 213 . 1 1 6 PHE CE1 C 5.183 7.091 -1.347 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CE1 . . . . . . . . . c34016_5lff 1 . 2 . 214 . 1 1 6 PHE CE2 C 4.825 7.365 1.012 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CE2 . . . . . . . . . c34016_5lff 1 . 2 . 215 . 1 1 6 PHE CG C 3.162 6.210 -0.338 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CG . . . . . . . . . c34016_5lff 1 . 2 . 216 . 1 1 6 PHE CZ C 5.630 7.513 -0.107 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CZ . . . . . . . . . c34016_5lff 1 . 2 . 217 . 1 1 6 PHE H H -0.143 3.432 -0.215 . . . 1.0 . . . . . . . . . . . . A . 6 PHE H . . . . . . . . . c34016_5lff 1 . 2 . 218 . 1 1 6 PHE HA H 2.771 3.665 -1.228 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HA . . . . . . . . . c34016_5lff 1 . 2 . 219 . 1 1 6 PHE HB2 H 1.324 5.748 -1.316 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HB2 . . . . . . . . . c34016_5lff 1 . 2 . 220 . 1 1 6 PHE HB3 H 1.168 5.720 0.378 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HB3 . . . . . . . . . c34016_5lff 1 . 2 . 221 . 1 1 6 PHE HD1 H 3.602 6.122 -2.427 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HD1 . . . . . . . . . c34016_5lff 1 . 2 . 222 . 1 1 6 PHE HD2 H 3.071 6.466 1.837 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HD2 . . . . . . . . . c34016_5lff 1 . 2 . 223 . 1 1 6 PHE HE1 H 5.786 7.243 -2.235 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HE1 . . . . . . . . . c34016_5lff 1 . 2 . 224 . 1 1 6 PHE HE2 H 5.129 7.750 1.967 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HE2 . . . . . . . . . c34016_5lff 1 . 2 . 225 . 1 1 6 PHE HZ H 6.576 8.064 -0.014 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HZ . . . . . . . . . c34016_5lff 1 . 2 . 226 . 1 1 6 PHE N N 0.706 3.289 -0.773 . . . 1.0 . . . . . . . . . . . . A . 6 PHE N . . . . . . . . . c34016_5lff 1 . 2 . 227 . 1 1 6 PHE O O 2.042 3.521 2.013 . . . 1.0 . . . . . . . . . . . . A . 6 PHE O . . . . . . . . . c34016_5lff 1 . 2 . 228 . 1 1 7 CYS C C 5.814 2.810 2.087 . . . 1.0 . . . . . . . . . . . . A . 7 CYS C . . . . . . . . . c34016_5lff 1 . 2 . 229 . 1 1 7 CYS CA C 4.450 2.094 2.036 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CA . . . . . . . . . c34016_5lff 1 . 2 . 230 . 1 1 7 CYS CB C 4.548 0.571 1.972 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CB . . . . . . . . . c34016_5lff 1 . 2 . 231 . 1 1 7 CYS H H 4.010 2.360 -0.107 . . . 1.0 . . . . . . . . . . . . A . 7 CYS H . . . . . . . . . c34016_5lff 1 . 2 . 232 . 1 1 7 CYS HA H 3.945 2.382 2.991 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HA . . . . . . . . . c34016_5lff 1 . 2 . 233 . 1 1 7 CYS HB2 H 5.079 0.184 1.094 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB2 . . . . . . . . . c34016_5lff 1 . 2 . 234 . 1 1 7 CYS HB3 H 5.124 0.228 2.839 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB3 . . . . . . . . . c34016_5lff 1 . 2 . 235 . 1 1 7 CYS N N 3.777 2.658 0.846 . . . 1.0 . . . . . . . . . . . . A . 7 CYS N . . . . . . . . . c34016_5lff 1 . 2 . 236 . 1 1 7 CYS O O 5.906 3.924 2.853 . . . 1.0 . . . . . . . . . . . . A . 7 CYS O . . . . . . . . . c34016_5lff 1 . 2 . 237 . 1 1 7 CYS OXT O 6.816 2.453 1.492 . . . 1.0 . . . . . . . . . . . . A . 7 CYS OXT . . . . . . . . . c34016_5lff 1 . 2 . 238 . 1 1 7 CYS SG S 2.918 -0.168 2.047 . . . 1.0 . . . . . . . . . . . . A . 7 CYS SG . . . . . . . . . c34016_5lff 1 . 3 . 239 . 1 1 1 ARG C C 1.823 -7.693 -0.865 . . . 1.0 . . . . . . . . . . . . A . 1 ARG C . . . . . . . . . c34016_5lff 1 . 3 . 240 . 1 1 1 ARG CA C 0.763 -8.814 -0.757 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CA . . . . . . . . . c34016_5lff 1 . 3 . 241 . 1 1 1 ARG CB C 0.073 -8.937 0.653 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CB . . . . . . . . . c34016_5lff 1 . 3 . 242 . 1 1 1 ARG CD C -1.495 -7.899 2.503 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CD . . . . . . . . . c34016_5lff 1 . 3 . 243 . 1 1 1 ARG CG C -0.793 -7.726 1.142 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CG . . . . . . . . . c34016_5lff 1 . 3 . 244 . 1 1 1 ARG CZ C -3.236 -9.394 3.492 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CZ . . . . . . . . . c34016_5lff 1 . 3 . 245 . 1 1 1 ARG H2 H 1.986 -10.098 -1.878 . . . 1.0 . . . . . . . . . . . . A . 1 ARG H2 . . . . . . . . . c34016_5lff 1 . 3 . 246 . 1 1 1 ARG HA H -0.036 -8.613 -1.492 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HA . . . . . . . . . c34016_5lff 1 . 3 . 247 . 1 1 1 ARG HB2 H -0.558 -9.839 0.648 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HB2 . . . . . . . . . c34016_5lff 1 . 3 . 248 . 1 1 1 ARG HB3 H 0.900 -9.181 1.365 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HB3 . . . . . . . . . c34016_5lff 1 . 3 . 249 . 1 1 1 ARG HD2 H -0.733 -8.128 3.266 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HD2 . . . . . . . . . c34016_5lff 1 . 3 . 250 . 1 1 1 ARG HD3 H -1.934 -6.919 2.847 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HD3 . . . . . . . . . c34016_5lff 1 . 3 . 251 . 1 1 1 ARG HE H -2.647 -9.523 1.619 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HE . . . . . . . . . c34016_5lff 1 . 3 . 252 . 1 1 1 ARG HG2 H -0.111 -6.848 1.282 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HG2 . . . . . . . . . c34016_5lff 1 . 3 . 253 . 1 1 1 ARG HG3 H -1.508 -7.442 0.347 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HG3 . . . . . . . . . c34016_5lff 1 . 3 . 254 . 1 1 1 ARG HH11 H -4.591 -10.730 4.115 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH11 . . . . . . . . . c34016_5lff 1 . 3 . 255 . 1 1 1 ARG HH12 H -4.029 -10.858 2.398 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH12 . . . . . . . . . c34016_5lff 1 . 3 . 256 . 1 1 1 ARG HH21 H -3.770 -9.239 5.424 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH21 . . . . . . . . . c34016_5lff 1 . 3 . 257 . 1 1 1 ARG HH22 H -2.624 -8.009 4.744 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH22 . . . . . . . . . c34016_5lff 1 . 3 . 258 . 1 1 1 ARG N N 1.361 -10.136 -1.067 . . . 1.0 . . . . . . . . . . . . A . 1 ARG N . . . . . . . . . c34016_5lff 1 . 3 . 259 . 1 1 1 ARG NE N -2.527 -8.995 2.458 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NE . . . . . . . . . c34016_5lff 1 . 3 . 260 . 1 1 1 ARG NH1 N -4.018 -10.425 3.317 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NH1 . . . . . . . . . c34016_5lff 1 . 3 . 261 . 1 1 1 ARG NH2 N -3.209 -8.839 4.679 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NH2 . . . . . . . . . c34016_5lff 1 . 3 . 262 . 1 1 1 ARG O O 2.522 -7.390 0.113 . . . 1.0 . . . . . . . . . . . . A . 1 ARG O . . . . . . . . . c34016_5lff 1 . 3 . 263 . 1 1 2 ALA C C 2.056 -4.558 -1.567 . . . 1.0 . . . . . . . . . . . . A . 2 ALA C . . . . . . . . . c34016_5lff 1 . 3 . 264 . 1 1 2 ALA CA C 2.758 -5.793 -2.144 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CA . . . . . . . . . c34016_5lff 1 . 3 . 265 . 1 1 2 ALA CB C 3.125 -5.644 -3.626 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CB . . . . . . . . . c34016_5lff 1 . 3 . 266 . 1 1 2 ALA H H 1.347 -7.330 -2.769 . . . 1.0 . . . . . . . . . . . . A . 2 ALA H . . . . . . . . . c34016_5lff 1 . 3 . 267 . 1 1 2 ALA HA H 3.721 -5.927 -1.628 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HA . . . . . . . . . c34016_5lff 1 . 3 . 268 . 1 1 2 ALA HB1 H 2.249 -5.470 -4.270 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB1 . . . . . . . . . c34016_5lff 1 . 3 . 269 . 1 1 2 ALA HB2 H 3.816 -4.791 -3.794 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB2 . . . . . . . . . c34016_5lff 1 . 3 . 270 . 1 1 2 ALA HB3 H 3.647 -6.535 -4.041 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB3 . . . . . . . . . c34016_5lff 1 . 3 . 271 . 1 1 2 ALA N N 1.960 -7.023 -2.019 . . . 1.0 . . . . . . . . . . . . A . 2 ALA N . . . . . . . . . c34016_5lff 1 . 3 . 272 . 1 1 2 ALA O O 1.429 -3.764 -2.296 . . . 1.0 . . . . . . . . . . . . A . 2 ALA O . . . . . . . . . c34016_5lff 1 . 3 . 273 . 1 1 3 CYS C C 0.049 -2.955 0.298 . . . 1.0 . . . . . . . . . . . . A . 3 CYS C . . . . . . . . . c34016_5lff 1 . 3 . 274 . 1 1 3 CYS CA C 1.606 -3.139 0.429 . . . 1.0 . . . . . . . . . . . . A . 3 CYS CA . . . . . . . . . c34016_5lff 1 . 3 . 275 . 1 1 3 CYS CB C 2.553 -1.953 0.116 . . . 1.0 . . . . . . . . . . . . A . 3 CYS CB . . . . . . . . . c34016_5lff 1 . 3 . 276 . 1 1 3 CYS H H 2.528 -5.193 0.246 . . . 1.0 . . . . . . . . . . . . A . 3 CYS H . . . . . . . . . c34016_5lff 1 . 3 . 277 . 1 1 3 CYS HA H 1.761 -3.333 1.501 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HA . . . . . . . . . c34016_5lff 1 . 3 . 278 . 1 1 3 CYS HB2 H 3.611 -2.213 0.330 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HB2 . . . . . . . . . c34016_5lff 1 . 3 . 279 . 1 1 3 CYS HB3 H 2.506 -1.678 -0.956 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HB3 . . . . . . . . . c34016_5lff 1 . 3 . 280 . 1 1 3 CYS N N 2.165 -4.355 -0.244 . . . 1.0 . . . . . . . . . . . . A . 3 CYS N . . . . . . . . . c34016_5lff 1 . 3 . 281 . 1 1 3 CYS O O -0.726 -3.905 0.376 . . . 1.0 . . . . . . . . . . . . A . 3 CYS O . . . . . . . . . c34016_5lff 1 . 3 . 282 . 1 1 3 CYS SG S 2.213 -0.509 1.139 . . . 1.0 . . . . . . . . . . . . A . 3 CYS SG . . . . . . . . . c34016_5lff 1 . 3 . 283 . 1 1 4 ARG C C -1.813 -0.264 -1.348 . . . 1.0 . . . . . . . . . . . . A . 4 ARG C . . . . . . . . . c34016_5lff 1 . 3 . 284 . 1 1 4 ARG CA C -1.833 -1.381 -0.243 . . . 1.0 . . . . . . . . . . . . A . 4 ARG CA . . . . . . . . . c34016_5lff 1 . 3 . 285 . 1 1 4 ARG CB C -2.706 -0.971 0.997 . . . 1.0 . . . . . . . . . . . . A . 4 ARG CB . . . . . . . . . c34016_5lff 1 . 3 . 286 . 1 1 4 ARG CD C -3.992 -1.718 3.067 . . . 1.0 . . . . . . . . . . . . A . 4 ARG CD . . . . . . . . . c34016_5lff 1 . 3 . 287 . 1 1 4 ARG CG C -3.120 -2.161 1.887 . . . 1.0 . . . . . . . . . . . . A . 4 ARG CG . . . . . . . . . c34016_5lff 1 . 3 . 288 . 1 1 4 ARG CZ C -6.252 -0.659 3.368 . . . 1.0 . . . . . . . . . . . . A . 4 ARG CZ . . . . . . . . . c34016_5lff 1 . 3 . 289 . 1 1 4 ARG H H 0.328 -1.019 0.199 . . . 1.0 . . . . . . . . . . . . A . 4 ARG H . . . . . . . . . c34016_5lff 1 . 3 . 290 . 1 1 4 ARG HA H -2.335 -2.257 -0.711 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HA . . . . . . . . . c34016_5lff 1 . 3 . 291 . 1 1 4 ARG HB2 H -2.132 -0.237 1.602 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HB2 . . . . . . . . . c34016_5lff 1 . 3 . 292 . 1 1 4 ARG HB3 H -3.601 -0.428 0.660 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HB3 . . . . . . . . . c34016_5lff 1 . 3 . 293 . 1 1 4 ARG HD2 H -4.100 -2.556 3.791 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HD2 . . . . . . . . . c34016_5lff 1 . 3 . 294 . 1 1 4 ARG HD3 H -3.462 -0.908 3.653 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HD3 . . . . . . . . . c34016_5lff 1 . 3 . 295 . 1 1 4 ARG HE H -5.648 -1.357 1.622 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HE . . . . . . . . . c34016_5lff 1 . 3 . 296 . 1 1 4 ARG HG2 H -3.654 -2.918 1.261 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HG2 . . . . . . . . . c34016_5lff 1 . 3 . 297 . 1 1 4 ARG HG3 H -2.213 -2.665 2.299 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HG3 . . . . . . . . . c34016_5lff 1 . 3 . 298 . 1 1 4 ARG HH11 H -8.074 0.144 3.413 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HH11 . . . . . . . . . c34016_5lff 1 . 3 . 299 . 1 1 4 ARG HH12 H -7.506 -0.665 1.873 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HH12 . . . . . . . . . c34016_5lff 1 . 3 . 300 . 1 1 4 ARG HH21 H -6.851 0.066 5.110 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HH21 . . . . . . . . . c34016_5lff 1 . 3 . 301 . 1 1 4 ARG HH22 H -5.162 -0.660 5.013 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HH22 . . . . . . . . . c34016_5lff 1 . 3 . 302 . 1 1 4 ARG N N -0.426 -1.702 0.145 . . . 1.0 . . . . . . . . . . . . A . 4 ARG N . . . . . . . . . c34016_5lff 1 . 3 . 303 . 1 1 4 ARG NE N -5.346 -1.264 2.601 . . . 1.0 . . . . . . . . . . . . A . 4 ARG NE . . . . . . . . . c34016_5lff 1 . 3 . 304 . 1 1 4 ARG NH1 N -7.376 -0.322 2.822 . . . 1.0 . . . . . . . . . . . . A . 4 ARG NH1 . . . . . . . . . c34016_5lff 1 . 3 . 305 . 1 1 4 ARG NH2 N -6.080 -0.398 4.639 . . . 1.0 . . . . . . . . . . . . A . 4 ARG NH2 . . . . . . . . . c34016_5lff 1 . 3 . 306 . 1 1 4 ARG O O -2.230 -0.551 -2.467 . . . 1.0 . . . . . . . . . . . . A . 4 ARG O . . . . . . . . . c34016_5lff 1 . 3 . 307 . 1 1 5 PHE C C 0.335 2.597 -2.049 . . . 1.0 . . . . . . . . . . . . A . 5 PHE C . . . . . . . . . c34016_5lff 1 . 3 . 308 . 1 1 5 PHE CA C -1.133 2.046 -2.049 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CA . . . . . . . . . c34016_5lff 1 . 3 . 309 . 1 1 5 PHE CB C -2.263 3.136 -1.998 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CB . . . . . . . . . c34016_5lff 1 . 3 . 310 . 1 1 5 PHE CD1 C -3.744 2.959 0.085 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CD1 . . . . . . . . . c34016_5lff 1 . 3 . 311 . 1 1 5 PHE CD2 C -2.200 4.792 -0.075 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CD2 . . . . . . . . . c34016_5lff 1 . 3 . 312 . 1 1 5 PHE CE1 C -4.200 3.450 1.324 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CE1 . . . . . . . . . c34016_5lff 1 . 3 . 313 . 1 1 5 PHE CE2 C -2.653 5.286 1.138 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CE2 . . . . . . . . . c34016_5lff 1 . 3 . 314 . 1 1 5 PHE CG C -2.744 3.624 -0.609 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CG . . . . . . . . . c34016_5lff 1 . 3 . 315 . 1 1 5 PHE CZ C -3.655 4.620 1.851 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CZ . . . . . . . . . c34016_5lff 1 . 3 . 316 . 1 1 5 PHE H H -1.086 1.038 -0.054 . . . 1.0 . . . . . . . . . . . . A . 5 PHE H . . . . . . . . . c34016_5lff 1 . 3 . 317 . 1 1 5 PHE HA H -1.208 1.592 -3.060 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HA . . . . . . . . . c34016_5lff 1 . 3 . 318 . 1 1 5 PHE HB2 H -1.985 3.999 -2.648 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HB2 . . . . . . . . . c34016_5lff 1 . 3 . 319 . 1 1 5 PHE HB3 H -3.122 2.691 -2.560 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HB3 . . . . . . . . . c34016_5lff 1 . 3 . 320 . 1 1 5 PHE HD1 H -4.160 2.034 -0.313 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HD1 . . . . . . . . . c34016_5lff 1 . 3 . 321 . 1 1 5 PHE HD2 H -1.403 5.305 -0.573 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HD2 . . . . . . . . . c34016_5lff 1 . 3 . 322 . 1 1 5 PHE HE1 H -4.970 2.946 1.861 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HE1 . . . . . . . . . c34016_5lff 1 . 3 . 323 . 1 1 5 PHE HE2 H -2.262 6.191 1.568 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HE2 . . . . . . . . . c34016_5lff 1 . 3 . 324 . 1 1 5 PHE HZ H -4.071 5.031 2.768 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HZ . . . . . . . . . c34016_5lff 1 . 3 . 325 . 1 1 5 PHE N N -1.264 0.935 -1.053 . . . 1.0 . . . . . . . . . . . . A . 5 PHE N . . . . . . . . . c34016_5lff 1 . 3 . 326 . 1 1 5 PHE O O 1.016 2.502 -3.083 . . . 1.0 . . . . . . . . . . . . A . 5 PHE O . . . . . . . . . c34016_5lff 1 . 3 . 327 . 1 1 6 PHE C C 2.705 3.245 0.691 . . . 1.0 . . . . . . . . . . . . A . 6 PHE C . . . . . . . . . c34016_5lff 1 . 3 . 328 . 1 1 6 PHE CA C 2.227 3.581 -0.741 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CA . . . . . . . . . c34016_5lff 1 . 3 . 329 . 1 1 6 PHE CB C 2.329 5.086 -1.092 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CB . . . . . . . . . c34016_5lff 1 . 3 . 330 . 1 1 6 PHE CD1 C 4.725 5.234 -1.972 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CD1 . . . . . . . . . c34016_5lff 1 . 3 . 331 . 1 1 6 PHE CD2 C 4.110 6.574 -0.058 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CD2 . . . . . . . . . c34016_5lff 1 . 3 . 332 . 1 1 6 PHE CE1 C 6.049 5.625 -1.803 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CE1 . . . . . . . . . c34016_5lff 1 . 3 . 333 . 1 1 6 PHE CE2 C 5.402 7.051 0.040 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CE2 . . . . . . . . . c34016_5lff 1 . 3 . 334 . 1 1 6 PHE CG C 3.751 5.657 -1.059 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CG . . . . . . . . . c34016_5lff 1 . 3 . 335 . 1 1 6 PHE CZ C 6.378 6.565 -0.825 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CZ . . . . . . . . . c34016_5lff 1 . 3 . 336 . 1 1 6 PHE H H 0.117 3.262 -0.152 . . . 1.0 . . . . . . . . . . . . A . 6 PHE H . . . . . . . . . c34016_5lff 1 . 3 . 337 . 1 1 6 PHE HA H 2.873 3.027 -1.471 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HA . . . . . . . . . c34016_5lff 1 . 3 . 338 . 1 1 6 PHE HB2 H 1.925 5.250 -2.094 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HB2 . . . . . . . . . c34016_5lff 1 . 3 . 339 . 1 1 6 PHE HB3 H 1.674 5.655 -0.414 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HB3 . . . . . . . . . c34016_5lff 1 . 3 . 340 . 1 1 6 PHE HD1 H 4.470 4.543 -2.756 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HD1 . . . . . . . . . c34016_5lff 1 . 3 . 341 . 1 1 6 PHE HD2 H 3.398 6.882 0.692 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HD2 . . . . . . . . . c34016_5lff 1 . 3 . 342 . 1 1 6 PHE HE1 H 6.802 5.317 -2.506 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HE1 . . . . . . . . . c34016_5lff 1 . 3 . 343 . 1 1 6 PHE HE2 H 5.677 7.716 0.850 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HE2 . . . . . . . . . c34016_5lff 1 . 3 . 344 . 1 1 6 PHE HZ H 7.413 6.933 -0.759 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HZ . . . . . . . . . c34016_5lff 1 . 3 . 345 . 1 1 6 PHE N N 0.810 3.152 -0.899 . . . 1.0 . . . . . . . . . . . . A . 6 PHE N . . . . . . . . . c34016_5lff 1 . 3 . 346 . 1 1 6 PHE O O 2.172 3.763 1.674 . . . 1.0 . . . . . . . . . . . . A . 6 PHE O . . . . . . . . . c34016_5lff 1 . 3 . 347 . 1 1 7 CYS C C 5.558 3.264 2.209 . . . 1.0 . . . . . . . . . . . . A . 7 CYS C . . . . . . . . . c34016_5lff 1 . 3 . 348 . 1 1 7 CYS CA C 4.459 2.197 2.094 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CA . . . . . . . . . c34016_5lff 1 . 3 . 349 . 1 1 7 CYS CB C 4.907 0.724 2.157 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CB . . . . . . . . . c34016_5lff 1 . 3 . 350 . 1 1 7 CYS H H 3.967 1.856 -0.024 . . . 1.0 . . . . . . . . . . . . A . 7 CYS H . . . . . . . . . c34016_5lff 1 . 3 . 351 . 1 1 7 CYS HA H 3.743 2.338 2.949 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HA . . . . . . . . . c34016_5lff 1 . 3 . 352 . 1 1 7 CYS HB2 H 5.373 0.384 1.216 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB2 . . . . . . . . . c34016_5lff 1 . 3 . 353 . 1 1 7 CYS HB3 H 5.680 0.565 2.926 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB3 . . . . . . . . . c34016_5lff 1 . 3 . 354 . 1 1 7 CYS N N 3.755 2.400 0.820 . . . 1.0 . . . . . . . . . . . . A . 7 CYS N . . . . . . . . . c34016_5lff 1 . 3 . 355 . 1 1 7 CYS O O 5.193 4.568 2.160 . . . 1.0 . . . . . . . . . . . . A . 7 CYS O . . . . . . . . . c34016_5lff 1 . 3 . 356 . 1 1 7 CYS OXT O 6.743 3.000 2.342 . . . 1.0 . . . . . . . . . . . . A . 7 CYS OXT . . . . . . . . . c34016_5lff 1 . 3 . 357 . 1 1 7 CYS SG S 3.544 -0.320 2.620 . . . 1.0 . . . . . . . . . . . . A . 7 CYS SG . . . . . . . . . c34016_5lff 1 . 4 . 358 . 1 1 1 ARG C C 1.950 -7.577 -0.905 . . . 1.0 . . . . . . . . . . . . A . 1 ARG C . . . . . . . . . c34016_5lff 1 . 4 . 359 . 1 1 1 ARG CA C 0.906 -8.725 -0.729 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CA . . . . . . . . . c34016_5lff 1 . 4 . 360 . 1 1 1 ARG CB C -0.125 -8.519 0.420 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CB . . . . . . . . . c34016_5lff 1 . 4 . 361 . 1 1 1 ARG CD C -1.965 -6.976 1.481 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CD . . . . . . . . . c34016_5lff 1 . 4 . 362 . 1 1 1 ARG CG C -1.080 -7.317 0.259 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CG . . . . . . . . . c34016_5lff 1 . 4 . 363 . 1 1 1 ARG CZ C -3.704 -8.093 2.902 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CZ . . . . . . . . . c34016_5lff 1 . 4 . 364 . 1 1 1 ARG H2 H 2.228 -10.284 -1.214 . . . 1.0 . . . . . . . . . . . . A . 1 ARG H2 . . . . . . . . . c34016_5lff 1 . 4 . 365 . 1 1 1 ARG HA H 0.351 -8.830 -1.676 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HA . . . . . . . . . c34016_5lff 1 . 4 . 366 . 1 1 1 ARG HB2 H -0.724 -9.450 0.497 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HB2 . . . . . . . . . c34016_5lff 1 . 4 . 367 . 1 1 1 ARG HB3 H 0.395 -8.380 1.397 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HB3 . . . . . . . . . c34016_5lff 1 . 4 . 368 . 1 1 1 ARG HD2 H -1.335 -6.679 2.326 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HD2 . . . . . . . . . c34016_5lff 1 . 4 . 369 . 1 1 1 ARG HD3 H -2.613 -6.106 1.243 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HD3 . . . . . . . . . c34016_5lff 1 . 4 . 370 . 1 1 1 ARG HE H -2.789 -9.046 1.422 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HE . . . . . . . . . c34016_5lff 1 . 4 . 371 . 1 1 1 ARG HG2 H -0.487 -6.434 -0.003 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HG2 . . . . . . . . . c34016_5lff 1 . 4 . 372 . 1 1 1 ARG HG3 H -1.746 -7.446 -0.628 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HG3 . . . . . . . . . c34016_5lff 1 . 4 . 373 . 1 1 1 ARG HH11 H -5.011 -9.144 3.996 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH11 . . . . . . . . . c34016_5lff 1 . 4 . 374 . 1 1 1 ARG HH12 H -4.150 -10.026 2.657 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH12 . . . . . . . . . c34016_5lff 1 . 4 . 375 . 1 1 1 ARG HH21 H -4.698 -7.098 4.365 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH21 . . . . . . . . . c34016_5lff 1 . 4 . 376 . 1 1 1 ARG HH22 H -3.491 -6.193 3.291 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH22 . . . . . . . . . c34016_5lff 1 . 4 . 377 . 1 1 1 ARG N N 1.587 -10.030 -0.451 . . . 1.0 . . . . . . . . . . . . A . 1 ARG N . . . . . . . . . c34016_5lff 1 . 4 . 378 . 1 1 1 ARG NE N -2.859 -8.104 1.886 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NE . . . . . . . . . c34016_5lff 1 . 4 . 379 . 1 1 1 ARG NH1 N -4.339 -9.206 3.235 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NH1 . . . . . . . . . c34016_5lff 1 . 4 . 380 . 1 1 1 ARG NH2 N -3.984 -7.025 3.611 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NH2 . . . . . . . . . c34016_5lff 1 . 4 . 381 . 1 1 1 ARG O O 2.693 -7.255 0.026 . . . 1.0 . . . . . . . . . . . . A . 1 ARG O . . . . . . . . . c34016_5lff 1 . 4 . 382 . 1 1 2 ALA C C 2.088 -4.383 -1.749 . . . 1.0 . . . . . . . . . . . . A . 2 ALA C . . . . . . . . . c34016_5lff 1 . 4 . 383 . 1 1 2 ALA CA C 2.784 -5.665 -2.279 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CA . . . . . . . . . c34016_5lff 1 . 4 . 384 . 1 1 2 ALA CB C 3.157 -5.633 -3.776 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CB . . . . . . . . . c34016_5lff 1 . 4 . 385 . 1 1 2 ALA H H 1.354 -7.275 -2.839 . . . 1.0 . . . . . . . . . . . . A . 2 ALA H . . . . . . . . . c34016_5lff 1 . 4 . 386 . 1 1 2 ALA HA H 3.781 -5.747 -1.736 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HA . . . . . . . . . c34016_5lff 1 . 4 . 387 . 1 1 2 ALA HB1 H 2.293 -5.561 -4.443 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB1 . . . . . . . . . c34016_5lff 1 . 4 . 388 . 1 1 2 ALA HB2 H 3.776 -4.739 -3.958 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB2 . . . . . . . . . c34016_5lff 1 . 4 . 389 . 1 1 2 ALA HB3 H 3.790 -6.505 -4.085 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB3 . . . . . . . . . c34016_5lff 1 . 4 . 390 . 1 1 2 ALA N N 1.958 -6.907 -2.078 . . . 1.0 . . . . . . . . . . . . A . 2 ALA N . . . . . . . . . c34016_5lff 1 . 4 . 391 . 1 1 2 ALA O O 1.610 -3.524 -2.521 . . . 1.0 . . . . . . . . . . . . A . 2 ALA O . . . . . . . . . c34016_5lff 1 . 4 . 392 . 1 1 3 CYS C C -0.069 -2.879 0.214 . . . 1.0 . . . . . . . . . . . . A . 3 CYS C . . . . . . . . . c34016_5lff 1 . 4 . 393 . 1 1 3 CYS CA C 1.484 -3.048 0.326 . . . 1.0 . . . . . . . . . . . . A . 3 CYS CA . . . . . . . . . c34016_5lff 1 . 4 . 394 . 1 1 3 CYS CB C 2.394 -1.826 0.010 . . . 1.0 . . . . . . . . . . . . A . 3 CYS CB . . . . . . . . . c34016_5lff 1 . 4 . 395 . 1 1 3 CYS H H 2.502 -5.004 0.082 . . . 1.0 . . . . . . . . . . . . A . 3 CYS H . . . . . . . . . c34016_5lff 1 . 4 . 396 . 1 1 3 CYS HA H 1.660 -3.257 1.398 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HA . . . . . . . . . c34016_5lff 1 . 4 . 397 . 1 1 3 CYS HB2 H 3.453 -2.112 0.095 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HB2 . . . . . . . . . c34016_5lff 1 . 4 . 398 . 1 1 3 CYS HB3 H 2.237 -1.458 -1.022 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HB3 . . . . . . . . . c34016_5lff 1 . 4 . 399 . 1 1 3 CYS N N 2.019 -4.233 -0.398 . . . 1.0 . . . . . . . . . . . . A . 3 CYS N . . . . . . . . . c34016_5lff 1 . 4 . 400 . 1 1 3 CYS O O -0.856 -3.842 0.317 . . . 1.0 . . . . . . . . . . . . A . 3 CYS O . . . . . . . . . c34016_5lff 1 . 4 . 401 . 1 1 3 CYS SG S 2.087 -0.450 1.135 . . . 1.0 . . . . . . . . . . . . A . 3 CYS SG . . . . . . . . . c34016_5lff 1 . 4 . 402 . 1 1 4 ARG C C -2.021 -0.220 -1.336 . . . 1.0 . . . . . . . . . . . . A . 4 ARG C . . . . . . . . . c34016_5lff 1 . 4 . 403 . 1 1 4 ARG CA C -1.985 -1.351 -0.240 . . . 1.0 . . . . . . . . . . . . A . 4 ARG CA . . . . . . . . . c34016_5lff 1 . 4 . 404 . 1 1 4 ARG CB C -2.793 -0.899 1.001 . . . 1.0 . . . . . . . . . . . . A . 4 ARG CB . . . . . . . . . c34016_5lff 1 . 4 . 405 . 1 1 4 ARG CD C -3.918 -1.495 3.276 . . . 1.0 . . . . . . . . . . . . A . 4 ARG CD . . . . . . . . . c34016_5lff 1 . 4 . 406 . 1 1 4 ARG CG C -3.235 -2.009 1.982 . . . 1.0 . . . . . . . . . . . . A . 4 ARG CG . . . . . . . . . c34016_5lff 1 . 4 . 407 . 1 1 4 ARG CZ C -6.056 -0.303 3.974 . . . 1.0 . . . . . . . . . . . . A . 4 ARG CZ . . . . . . . . . c34016_5lff 1 . 4 . 408 . 1 1 4 ARG H H 0.188 -0.931 -0.045 . . . 1.0 . . . . . . . . . . . . A . 4 ARG H . . . . . . . . . c34016_5lff 1 . 4 . 409 . 1 1 4 ARG HA H -2.490 -2.253 -0.678 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HA . . . . . . . . . c34016_5lff 1 . 4 . 410 . 1 1 4 ARG HB2 H -2.254 -0.114 1.537 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HB2 . . . . . . . . . c34016_5lff 1 . 4 . 411 . 1 1 4 ARG HB3 H -3.729 -0.417 0.662 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HB3 . . . . . . . . . c34016_5lff 1 . 4 . 412 . 1 1 4 ARG HD2 H -3.921 -2.334 4.024 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HD2 . . . . . . . . . c34016_5lff 1 . 4 . 413 . 1 1 4 ARG HD3 H -3.281 -0.733 3.749 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HD3 . . . . . . . . . c34016_5lff 1 . 4 . 414 . 1 1 4 ARG HE H -5.749 -1.036 2.150 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HE . . . . . . . . . c34016_5lff 1 . 4 . 415 . 1 1 4 ARG HG2 H -3.888 -2.731 1.436 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HG2 . . . . . . . . . c34016_5lff 1 . 4 . 416 . 1 1 4 ARG HG3 H -2.326 -2.597 2.285 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HG3 . . . . . . . . . c34016_5lff 1 . 4 . 417 . 1 1 4 ARG HH11 H -7.818 0.611 4.338 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HH11 . . . . . . . . . c34016_5lff 1 . 4 . 418 . 1 1 4 ARG HH12 H -7.568 -0.204 2.704 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HH12 . . . . . . . . . c34016_5lff 1 . 4 . 419 . 1 1 4 ARG HH21 H -6.302 0.556 5.765 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HH21 . . . . . . . . . c34016_5lff 1 . 4 . 420 . 1 1 4 ARG HH22 H -4.729 -0.367 5.435 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HH22 . . . . . . . . . c34016_5lff 1 . 4 . 421 . 1 1 4 ARG N N -0.541 -1.649 0.011 . . . 1.0 . . . . . . . . . . . . A . 4 ARG N . . . . . . . . . c34016_5lff 1 . 4 . 422 . 1 1 4 ARG NE N -5.296 -0.951 3.057 . . . 1.0 . . . . . . . . . . . . A . 4 ARG NE . . . . . . . . . c34016_5lff 1 . 4 . 423 . 1 1 4 ARG NH1 N -7.254 0.094 3.635 . . . 1.0 . . . . . . . . . . . . A . 4 ARG NH1 . . . . . . . . . c34016_5lff 1 . 4 . 424 . 1 1 4 ARG NH2 N -5.646 -0.021 5.186 . . . 1.0 . . . . . . . . . . . . A . 4 ARG NH2 . . . . . . . . . c34016_5lff 1 . 4 . 425 . 1 1 4 ARG O O -2.484 -0.464 -2.453 . . . 1.0 . . . . . . . . . . . . A . 4 ARG O . . . . . . . . . c34016_5lff 1 . 4 . 426 . 1 1 5 PHE C C 0.393 2.438 -2.020 . . . 1.0 . . . . . . . . . . . . A . 5 PHE C . . . . . . . . . c34016_5lff 1 . 4 . 427 . 1 1 5 PHE CA C -1.080 1.943 -2.150 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CA . . . . . . . . . c34016_5lff 1 . 4 . 428 . 1 1 5 PHE CB C -2.189 3.018 -2.345 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CB . . . . . . . . . c34016_5lff 1 . 4 . 429 . 1 1 5 PHE CD1 C -2.646 4.318 -0.175 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CD1 . . . . . . . . . c34016_5lff 1 . 4 . 430 . 1 1 5 PHE CD2 C -1.571 5.461 -2.003 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CD2 . . . . . . . . . c34016_5lff 1 . 4 . 431 . 1 1 5 PHE CE1 C -2.463 5.445 0.635 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CE1 . . . . . . . . . c34016_5lff 1 . 4 . 432 . 1 1 5 PHE CE2 C -1.436 6.601 -1.224 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CE2 . . . . . . . . . c34016_5lff 1 . 4 . 433 . 1 1 5 PHE CG C -2.131 4.280 -1.465 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CG . . . . . . . . . c34016_5lff 1 . 4 . 434 . 1 1 5 PHE CZ C -1.861 6.586 0.106 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CZ . . . . . . . . . c34016_5lff 1 . 4 . 435 . 1 1 5 PHE H H -1.024 0.997 -0.160 . . . 1.0 . . . . . . . . . . . . A . 5 PHE H . . . . . . . . . c34016_5lff 1 . 4 . 436 . 1 1 5 PHE HA H -1.081 1.439 -3.140 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HA . . . . . . . . . c34016_5lff 1 . 4 . 437 . 1 1 5 PHE HB2 H -2.193 3.327 -3.418 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HB2 . . . . . . . . . c34016_5lff 1 . 4 . 438 . 1 1 5 PHE HB3 H -3.185 2.548 -2.214 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HB3 . . . . . . . . . c34016_5lff 1 . 4 . 439 . 1 1 5 PHE HD1 H -3.017 3.401 0.234 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HD1 . . . . . . . . . c34016_5lff 1 . 4 . 440 . 1 1 5 PHE HD2 H -1.173 5.435 -2.999 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HD2 . . . . . . . . . c34016_5lff 1 . 4 . 441 . 1 1 5 PHE HE1 H -2.769 5.450 1.658 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HE1 . . . . . . . . . c34016_5lff 1 . 4 . 442 . 1 1 5 PHE HE2 H -0.993 7.472 -1.660 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HE2 . . . . . . . . . c34016_5lff 1 . 4 . 443 . 1 1 5 PHE HZ H -1.791 7.486 0.706 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HZ . . . . . . . . . c34016_5lff 1 . 4 . 444 . 1 1 5 PHE N N -1.472 0.977 -1.086 . . . 1.0 . . . . . . . . . . . . A . 5 PHE N . . . . . . . . . c34016_5lff 1 . 4 . 445 . 1 1 5 PHE O O 1.181 2.256 -2.952 . . . 1.0 . . . . . . . . . . . . A . 5 PHE O . . . . . . . . . c34016_5lff 1 . 4 . 446 . 1 1 6 PHE C C 2.759 3.127 0.790 . . . 1.0 . . . . . . . . . . . . A . 6 PHE C . . . . . . . . . c34016_5lff 1 . 4 . 447 . 1 1 6 PHE CA C 2.177 3.497 -0.633 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CA . . . . . . . . . c34016_5lff 1 . 4 . 448 . 1 1 6 PHE CB C 2.112 5.050 -0.839 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CB . . . . . . . . . c34016_5lff 1 . 4 . 449 . 1 1 6 PHE CD1 C 4.376 5.965 -1.652 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CD1 . . . . . . . . . c34016_5lff 1 . 4 . 450 . 1 1 6 PHE CD2 C 3.597 6.505 0.584 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CD2 . . . . . . . . . c34016_5lff 1 . 4 . 451 . 1 1 6 PHE CE1 C 5.546 6.675 -1.418 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CE1 . . . . . . . . . c34016_5lff 1 . 4 . 452 . 1 1 6 PHE CE2 C 4.744 7.247 0.794 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CE2 . . . . . . . . . c34016_5lff 1 . 4 . 453 . 1 1 6 PHE CG C 3.401 5.837 -0.635 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CG . . . . . . . . . c34016_5lff 1 . 4 . 454 . 1 1 6 PHE CZ C 5.743 7.289 -0.181 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CZ . . . . . . . . . c34016_5lff 1 . 4 . 455 . 1 1 6 PHE H H 0.004 3.226 -0.259 . . . 1.0 . . . . . . . . . . . . A . 6 PHE H . . . . . . . . . c34016_5lff 1 . 4 . 456 . 1 1 6 PHE HA H 2.862 3.071 -1.390 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HA . . . . . . . . . c34016_5lff 1 . 4 . 457 . 1 1 6 PHE HB2 H 1.769 5.227 -1.877 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HB2 . . . . . . . . . c34016_5lff 1 . 4 . 458 . 1 1 6 PHE HB3 H 1.306 5.483 -0.216 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HB3 . . . . . . . . . c34016_5lff 1 . 4 . 459 . 1 1 6 PHE HD1 H 4.181 5.561 -2.649 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HD1 . . . . . . . . . c34016_5lff 1 . 4 . 460 . 1 1 6 PHE HD2 H 2.869 6.390 1.380 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HD2 . . . . . . . . . c34016_5lff 1 . 4 . 461 . 1 1 6 PHE HE1 H 6.257 6.779 -2.227 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HE1 . . . . . . . . . c34016_5lff 1 . 4 . 462 . 1 1 6 PHE HE2 H 4.920 7.740 1.759 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HE2 . . . . . . . . . c34016_5lff 1 . 4 . 463 . 1 1 6 PHE HZ H 6.691 7.803 0.007 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HZ . . . . . . . . . c34016_5lff 1 . 4 . 464 . 1 1 6 PHE N N 0.795 2.979 -0.864 . . . 1.0 . . . . . . . . . . . . A . 6 PHE N . . . . . . . . . c34016_5lff 1 . 4 . 465 . 1 1 6 PHE O O 2.242 3.561 1.820 . . . 1.0 . . . . . . . . . . . . A . 6 PHE O . . . . . . . . . c34016_5lff 1 . 4 . 466 . 1 1 7 CYS C C 5.786 2.954 2.263 . . . 1.0 . . . . . . . . . . . . A . 7 CYS C . . . . . . . . . c34016_5lff 1 . 4 . 467 . 1 1 7 CYS CA C 4.560 2.026 2.114 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CA . . . . . . . . . c34016_5lff 1 . 4 . 468 . 1 1 7 CYS CB C 4.899 0.513 2.126 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CB . . . . . . . . . c34016_5lff 1 . 4 . 469 . 1 1 7 CYS H H 4.061 1.880 -0.054 . . . 1.0 . . . . . . . . . . . . A . 7 CYS H . . . . . . . . . c34016_5lff 1 . 4 . 470 . 1 1 7 CYS HA H 3.910 2.216 3.005 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HA . . . . . . . . . c34016_5lff 1 . 4 . 471 . 1 1 7 CYS HB2 H 5.368 0.122 1.193 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB2 . . . . . . . . . c34016_5lff 1 . 4 . 472 . 1 1 7 CYS HB3 H 5.666 0.334 2.925 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB3 . . . . . . . . . c34016_5lff 1 . 4 . 473 . 1 1 7 CYS N N 3.844 2.330 0.840 . . . 1.0 . . . . . . . . . . . . A . 7 CYS N . . . . . . . . . c34016_5lff 1 . 4 . 474 . 1 1 7 CYS O O 5.580 4.291 2.192 . . . 1.0 . . . . . . . . . . . . A . 7 CYS O . . . . . . . . . c34016_5lff 1 . 4 . 475 . 1 1 7 CYS OXT O 6.930 2.561 2.441 . . . 1.0 . . . . . . . . . . . . A . 7 CYS OXT . . . . . . . . . c34016_5lff 1 . 4 . 476 . 1 1 7 CYS SG S 3.465 -0.509 2.575 . . . 1.0 . . . . . . . . . . . . A . 7 CYS SG . . . . . . . . . c34016_5lff 1 . 5 . 477 . 1 1 1 ARG C C 1.789 -7.778 -0.801 . . . 1.0 . . . . . . . . . . . . A . 1 ARG C . . . . . . . . . c34016_5lff 1 . 5 . 478 . 1 1 1 ARG CA C 0.647 -8.843 -0.857 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CA . . . . . . . . . c34016_5lff 1 . 5 . 479 . 1 1 1 ARG CB C -0.320 -8.817 0.363 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CB . . . . . . . . . c34016_5lff 1 . 5 . 480 . 1 1 1 ARG CD C -2.070 -7.407 1.646 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CD . . . . . . . . . c34016_5lff 1 . 5 . 481 . 1 1 1 ARG CG C -1.196 -7.544 0.388 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CG . . . . . . . . . c34016_5lff 1 . 5 . 482 . 1 1 1 ARG CZ C -4.130 -8.567 2.564 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CZ . . . . . . . . . c34016_5lff 1 . 5 . 483 . 1 1 1 ARG H2 H 1.797 -10.280 -1.765 . . . 1.0 . . . . . . . . . . . . A . 1 ARG H2 . . . . . . . . . c34016_5lff 1 . 5 . 484 . 1 1 1 ARG HA H 0.076 -8.646 -1.776 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HA . . . . . . . . . c34016_5lff 1 . 5 . 485 . 1 1 1 ARG HB2 H -0.965 -9.679 0.386 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HB2 . . . . . . . . . c34016_5lff 1 . 5 . 486 . 1 1 1 ARG HB3 H 0.270 -8.904 1.301 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HB3 . . . . . . . . . c34016_5lff 1 . 5 . 487 . 1 1 1 ARG HD2 H -1.429 -7.507 2.561 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HD2 . . . . . . . . . c34016_5lff 1 . 5 . 488 . 1 1 1 ARG HD3 H -2.519 -6.359 1.610 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HD3 . . . . . . . . . c34016_5lff 1 . 5 . 489 . 1 1 1 ARG HE H -3.296 -9.052 0.843 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HE . . . . . . . . . c34016_5lff 1 . 5 . 490 . 1 1 1 ARG HG2 H -0.534 -6.630 0.313 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HG2 . . . . . . . . . c34016_5lff 1 . 5 . 491 . 1 1 1 ARG HG3 H -1.833 -7.490 -0.511 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HG3 . . . . . . . . . c34016_5lff 1 . 5 . 492 . 1 1 1 ARG HH11 H -5.742 -9.560 3.096 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH11 . . . . . . . . . c34016_5lff 1 . 5 . 493 . 1 1 1 ARG HH12 H -4.966 -10.047 1.533 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH12 . . . . . . . . . c34016_5lff 1 . 5 . 494 . 1 1 1 ARG HH21 H -4.986 -8.017 4.283 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH21 . . . . . . . . . c34016_5lff 1 . 5 . 495 . 1 1 1 ARG HH22 H -3.503 -7.093 3.734 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH22 . . . . . . . . . c34016_5lff 1 . 5 . 496 . 1 1 1 ARG N N 1.204 -10.199 -0.935 . . . 1.0 . . . . . . . . . . . . A . 1 ARG N . . . . . . . . . c34016_5lff 1 . 5 . 497 . 1 1 1 ARG NE N -3.174 -8.406 1.630 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NE . . . . . . . . . c34016_5lff 1 . 5 . 498 . 1 1 1 ARG NH1 N -5.037 -9.478 2.367 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NH1 . . . . . . . . . c34016_5lff 1 . 5 . 499 . 1 1 1 ARG NH2 N -4.225 -7.813 3.625 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NH2 . . . . . . . . . c34016_5lff 1 . 5 . 500 . 1 1 1 ARG O O 2.413 -7.543 0.257 . . . 1.0 . . . . . . . . . . . . A . 1 ARG O . . . . . . . . . c34016_5lff 1 . 5 . 501 . 1 1 2 ALA C C 2.345 -4.552 -1.646 . . . 1.0 . . . . . . . . . . . . A . 2 ALA C . . . . . . . . . c34016_5lff 1 . 5 . 502 . 1 1 2 ALA CA C 3.024 -5.951 -1.962 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CA . . . . . . . . . c34016_5lff 1 . 5 . 503 . 1 1 2 ALA CB C 3.686 -5.980 -3.365 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CB . . . . . . . . . c34016_5lff 1 . 5 . 504 . 1 1 2 ALA H H 1.513 -7.288 -2.743 . . . 1.0 . . . . . . . . . . . . A . 2 ALA H . . . . . . . . . c34016_5lff 1 . 5 . 505 . 1 1 2 ALA HA H 3.867 -6.141 -1.225 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HA . . . . . . . . . c34016_5lff 1 . 5 . 506 . 1 1 2 ALA HB1 H 2.987 -5.761 -4.205 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB1 . . . . . . . . . c34016_5lff 1 . 5 . 507 . 1 1 2 ALA HB2 H 4.476 -5.207 -3.408 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB2 . . . . . . . . . c34016_5lff 1 . 5 . 508 . 1 1 2 ALA HB3 H 4.167 -6.947 -3.584 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB3 . . . . . . . . . c34016_5lff 1 . 5 . 509 . 1 1 2 ALA N N 2.037 -7.068 -1.908 . . . 1.0 . . . . . . . . . . . . A . 2 ALA N . . . . . . . . . c34016_5lff 1 . 5 . 510 . 1 1 2 ALA O O 1.889 -3.860 -2.555 . . . 1.0 . . . . . . . . . . . . A . 2 ALA O . . . . . . . . . c34016_5lff 1 . 5 . 511 . 1 1 3 CYS C C 0.011 -2.878 -0.035 . . . 1.0 . . . . . . . . . . . . A . 3 CYS C . . . . . . . . . c34016_5lff 1 . 5 . 512 . 1 1 3 CYS CA C 1.574 -2.936 0.139 . . . 1.0 . . . . . . . . . . . . A . 3 CYS CA . . . . . . . . . c34016_5lff 1 . 5 . 513 . 1 1 3 CYS CB C 2.345 -1.682 -0.420 . . . 1.0 . . . . . . . . . . . . A . 3 CYS CB . . . . . . . . . c34016_5lff 1 . 5 . 514 . 1 1 3 CYS H H 2.553 -4.918 0.294 . . . 1.0 . . . . . . . . . . . . A . 3 CYS H . . . . . . . . . c34016_5lff 1 . 5 . 515 . 1 1 3 CYS HA H 1.749 -2.930 1.242 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HA . . . . . . . . . c34016_5lff 1 . 5 . 516 . 1 1 3 CYS HB2 H 3.433 -1.854 -0.430 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HB2 . . . . . . . . . c34016_5lff 1 . 5 . 517 . 1 1 3 CYS HB3 H 2.078 -1.531 -1.470 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HB3 . . . . . . . . . c34016_5lff 1 . 5 . 518 . 1 1 3 CYS N N 2.242 -4.189 -0.346 . . . 1.0 . . . . . . . . . . . . A . 3 CYS N . . . . . . . . . c34016_5lff 1 . 5 . 519 . 1 1 3 CYS O O -0.676 -3.865 -0.382 . . . 1.0 . . . . . . . . . . . . A . 3 CYS O . . . . . . . . . c34016_5lff 1 . 5 . 520 . 1 1 3 CYS SG S 2.035 -0.205 0.587 . . . 1.0 . . . . . . . . . . . . A . 3 CYS SG . . . . . . . . . c34016_5lff 1 . 5 . 521 . 1 1 4 ARG C C -1.862 -0.297 -1.289 . . . 1.0 . . . . . . . . . . . . A . 4 ARG C . . . . . . . . . c34016_5lff 1 . 5 . 522 . 1 1 4 ARG CA C -1.919 -1.321 -0.104 . . . 1.0 . . . . . . . . . . . . A . 4 ARG CA . . . . . . . . . c34016_5lff 1 . 5 . 523 . 1 1 4 ARG CB C -2.703 -0.776 1.114 . . . 1.0 . . . . . . . . . . . . A . 4 ARG CB . . . . . . . . . c34016_5lff 1 . 5 . 524 . 1 1 4 ARG CD C -3.754 -1.218 3.467 . . . 1.0 . . . . . . . . . . . . A . 4 ARG CD . . . . . . . . . c34016_5lff 1 . 5 . 525 . 1 1 4 ARG CG C -3.146 -1.813 2.178 . . . 1.0 . . . . . . . . . . . . A . 4 ARG CG . . . . . . . . . c34016_5lff 1 . 5 . 526 . 1 1 4 ARG CZ C -5.768 0.044 4.148 . . . 1.0 . . . . . . . . . . . . A . 4 ARG CZ . . . . . . . . . c34016_5lff 1 . 5 . 527 . 1 1 4 ARG H H 0.182 -1.061 0.617 . . . 1.0 . . . . . . . . . . . . A . 4 ARG H . . . . . . . . . c34016_5lff 1 . 5 . 528 . 1 1 4 ARG HA H -2.481 -2.189 -0.488 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HA . . . . . . . . . c34016_5lff 1 . 5 . 529 . 1 1 4 ARG HB2 H -2.110 0.011 1.593 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HB2 . . . . . . . . . c34016_5lff 1 . 5 . 530 . 1 1 4 ARG HB3 H -3.618 -0.271 0.755 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HB3 . . . . . . . . . c34016_5lff 1 . 5 . 531 . 1 1 4 ARG HD2 H -3.821 -2.072 4.198 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HD2 . . . . . . . . . c34016_5lff 1 . 5 . 532 . 1 1 4 ARG HD3 H -3.015 -0.487 3.901 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HD3 . . . . . . . . . c34016_5lff 1 . 5 . 533 . 1 1 4 ARG HE H -5.481 -0.600 2.274 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HE . . . . . . . . . c34016_5lff 1 . 5 . 534 . 1 1 4 ARG HG2 H -3.902 -2.447 1.687 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HG2 . . . . . . . . . c34016_5lff 1 . 5 . 535 . 1 1 4 ARG HG3 H -2.286 -2.486 2.427 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HG3 . . . . . . . . . c34016_5lff 1 . 5 . 536 . 1 1 4 ARG HH11 H -7.509 1.027 4.504 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HH11 . . . . . . . . . c34016_5lff 1 . 5 . 537 . 1 1 4 ARG HH12 H -7.204 0.396 2.819 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HH12 . . . . . . . . . c34016_5lff 1 . 5 . 538 . 1 1 4 ARG HH21 H -5.996 0.658 6.042 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HH21 . . . . . . . . . c34016_5lff 1 . 5 . 539 . 1 1 4 ARG HH22 H -4.500 -0.282 5.593 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HH22 . . . . . . . . . c34016_5lff 1 . 5 . 540 . 1 1 4 ARG N N -0.555 -1.722 0.321 . . . 1.0 . . . . . . . . . . . . A . 4 ARG N . . . . . . . . . c34016_5lff 1 . 5 . 541 . 1 1 4 ARG NE N -5.075 -0.597 3.219 . . . 1.0 . . . . . . . . . . . . A . 4 ARG NE . . . . . . . . . c34016_5lff 1 . 5 . 542 . 1 1 4 ARG NH1 N -6.913 0.576 3.783 . . . 1.0 . . . . . . . . . . . . A . 4 ARG NH1 . . . . . . . . . c34016_5lff 1 . 5 . 543 . 1 1 4 ARG NH2 N -5.371 0.191 5.384 . . . 1.0 . . . . . . . . . . . . A . 4 ARG NH2 . . . . . . . . . c34016_5lff 1 . 5 . 544 . 1 1 4 ARG O O -2.405 -0.562 -2.363 . . . 1.0 . . . . . . . . . . . . A . 4 ARG O . . . . . . . . . c34016_5lff 1 . 5 . 545 . 1 1 5 PHE C C 0.405 2.547 -1.959 . . . 1.0 . . . . . . . . . . . . A . 5 PHE C . . . . . . . . . c34016_5lff 1 . 5 . 546 . 1 1 5 PHE CA C -1.058 1.956 -2.115 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CA . . . . . . . . . c34016_5lff 1 . 5 . 547 . 1 1 5 PHE CB C -2.264 2.976 -2.125 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CB . . . . . . . . . c34016_5lff 1 . 5 . 548 . 1 1 5 PHE CD1 C -3.521 2.987 0.123 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CD1 . . . . . . . . . c34016_5lff 1 . 5 . 549 . 1 1 5 PHE CD2 C -2.257 4.954 -0.530 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CD2 . . . . . . . . . c34016_5lff 1 . 5 . 550 . 1 1 5 PHE CE1 C -3.820 3.582 1.350 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CE1 . . . . . . . . . c34016_5lff 1 . 5 . 551 . 1 1 5 PHE CE2 C -2.582 5.556 0.683 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CE2 . . . . . . . . . c34016_5lff 1 . 5 . 552 . 1 1 5 PHE CG C -2.704 3.668 -0.808 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CG . . . . . . . . . c34016_5lff 1 . 5 . 553 . 1 1 5 PHE CZ C -3.371 4.869 1.610 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CZ . . . . . . . . . c34016_5lff 1 . 5 . 554 . 1 1 5 PHE H H -0.793 0.987 -0.158 . . . 1.0 . . . . . . . . . . . . A . 5 PHE H . . . . . . . . . c34016_5lff 1 . 5 . 555 . 1 1 5 PHE HA H -1.048 1.454 -3.114 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HA . . . . . . . . . c34016_5lff 1 . 5 . 556 . 1 1 5 PHE HB2 H -2.117 3.756 -2.902 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HB2 . . . . . . . . . c34016_5lff 1 . 5 . 557 . 1 1 5 PHE HB3 H -3.148 2.380 -2.437 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HB3 . . . . . . . . . c34016_5lff 1 . 5 . 558 . 1 1 5 PHE HD1 H -3.820 1.975 -0.077 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HD1 . . . . . . . . . c34016_5lff 1 . 5 . 559 . 1 1 5 PHE HD2 H -1.632 5.505 -1.222 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HD2 . . . . . . . . . c34016_5lff 1 . 5 . 560 . 1 1 5 PHE HE1 H -4.339 3.028 2.133 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HE1 . . . . . . . . . c34016_5lff 1 . 5 . 561 . 1 1 5 PHE HE2 H -2.225 6.546 0.942 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HE2 . . . . . . . . . c34016_5lff 1 . 5 . 562 . 1 1 5 PHE HZ H -3.554 5.304 2.578 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HZ . . . . . . . . . c34016_5lff 1 . 5 . 563 . 1 1 5 PHE N N -1.243 0.891 -1.070 . . . 1.0 . . . . . . . . . . . . A . 5 PHE N . . . . . . . . . c34016_5lff 1 . 5 . 564 . 1 1 5 PHE O O 1.270 2.324 -2.819 . . . 1.0 . . . . . . . . . . . . A . 5 PHE O . . . . . . . . . c34016_5lff 1 . 5 . 565 . 1 1 6 PHE C C 2.540 3.106 0.765 . . . 1.0 . . . . . . . . . . . . A . 6 PHE C . . . . . . . . . c34016_5lff 1 . 5 . 566 . 1 1 6 PHE CA C 1.995 3.819 -0.491 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CA . . . . . . . . . c34016_5lff 1 . 5 . 567 . 1 1 6 PHE CB C 1.841 5.364 -0.347 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CB . . . . . . . . . c34016_5lff 1 . 5 . 568 . 1 1 6 PHE CD1 C 4.026 6.513 -1.128 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CD1 . . . . . . . . . c34016_5lff 1 . 5 . 569 . 1 1 6 PHE CD2 C 3.583 6.269 1.223 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CD2 . . . . . . . . . c34016_5lff 1 . 5 . 570 . 1 1 6 PHE CE1 C 5.243 7.161 -0.838 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CE1 . . . . . . . . . c34016_5lff 1 . 5 . 571 . 1 1 6 PHE CE2 C 4.803 6.912 1.498 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CE2 . . . . . . . . . c34016_5lff 1 . 5 . 572 . 1 1 6 PHE CG C 3.177 6.095 -0.102 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CG . . . . . . . . . c34016_5lff 1 . 5 . 573 . 1 1 6 PHE CZ C 5.615 7.372 0.477 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CZ . . . . . . . . . c34016_5lff 1 . 5 . 574 . 1 1 6 PHE H H -0.185 3.587 -0.356 . . . 1.0 . . . . . . . . . . . . A . 6 PHE H . . . . . . . . . c34016_5lff 1 . 5 . 575 . 1 1 6 PHE HA H 2.698 3.699 -1.348 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HA . . . . . . . . . c34016_5lff 1 . 5 . 576 . 1 1 6 PHE HB2 H 1.373 5.731 -1.278 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HB2 . . . . . . . . . c34016_5lff 1 . 5 . 577 . 1 1 6 PHE HB3 H 1.098 5.598 0.443 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HB3 . . . . . . . . . c34016_5lff 1 . 5 . 578 . 1 1 6 PHE HD1 H 3.690 6.455 -2.162 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HD1 . . . . . . . . . c34016_5lff 1 . 5 . 579 . 1 1 6 PHE HD2 H 2.972 5.933 2.053 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HD2 . . . . . . . . . c34016_5lff 1 . 5 . 580 . 1 1 6 PHE HE1 H 5.836 7.545 -1.652 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HE1 . . . . . . . . . c34016_5lff 1 . 5 . 581 . 1 1 6 PHE HE2 H 5.092 7.055 2.547 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HE2 . . . . . . . . . c34016_5lff 1 . 5 . 582 . 1 1 6 PHE HZ H 6.529 7.905 0.728 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HZ . . . . . . . . . c34016_5lff 1 . 5 . 583 . 1 1 6 PHE N N 0.656 3.278 -0.861 . . . 1.0 . . . . . . . . . . . . A . 6 PHE N . . . . . . . . . c34016_5lff 1 . 5 . 584 . 1 1 6 PHE O O 1.862 3.022 1.793 . . . 1.0 . . . . . . . . . . . . A . 6 PHE O . . . . . . . . . c34016_5lff 1 . 5 . 585 . 1 1 7 CYS C C 5.782 2.965 2.143 . . . 1.0 . . . . . . . . . . . . A . 7 CYS C . . . . . . . . . c34016_5lff 1 . 5 . 586 . 1 1 7 CYS CA C 4.513 2.140 1.927 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CA . . . . . . . . . c34016_5lff 1 . 5 . 587 . 1 1 7 CYS CB C 4.805 0.630 1.829 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CB . . . . . . . . . c34016_5lff 1 . 5 . 588 . 1 1 7 CYS H H 4.290 2.918 -0.124 . . . 1.0 . . . . . . . . . . . . A . 7 CYS H . . . . . . . . . c34016_5lff 1 . 5 . 589 . 1 1 7 CYS HA H 3.917 2.325 2.835 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HA . . . . . . . . . c34016_5lff 1 . 5 . 590 . 1 1 7 CYS HB2 H 5.183 0.358 0.817 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB2 . . . . . . . . . c34016_5lff 1 . 5 . 591 . 1 1 7 CYS HB3 H 5.541 0.333 2.603 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB3 . . . . . . . . . c34016_5lff 1 . 5 . 592 . 1 1 7 CYS N N 3.795 2.634 0.726 . . . 1.0 . . . . . . . . . . . . A . 7 CYS N . . . . . . . . . c34016_5lff 1 . 5 . 593 . 1 1 7 CYS O O 5.699 4.084 2.903 . . . 1.0 . . . . . . . . . . . . A . 7 CYS O . . . . . . . . . c34016_5lff 1 . 5 . 594 . 1 1 7 CYS OXT O 6.871 2.667 1.664 . . . 1.0 . . . . . . . . . . . . A . 7 CYS OXT . . . . . . . . . c34016_5lff 1 . 5 . 595 . 1 1 7 CYS SG S 3.252 -0.247 2.174 . . . 1.0 . . . . . . . . . . . . A . 7 CYS SG . . . . . . . . . c34016_5lff 1 . 6 . 596 . 1 1 1 ARG C C 1.798 -7.574 -0.775 . . . 1.0 . . . . . . . . . . . . A . 1 ARG C . . . . . . . . . c34016_5lff 1 . 6 . 597 . 1 1 1 ARG CA C 0.719 -8.718 -0.843 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CA . . . . . . . . . c34016_5lff 1 . 6 . 598 . 1 1 1 ARG CB C -0.213 -8.770 0.402 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CB . . . . . . . . . c34016_5lff 1 . 6 . 599 . 1 1 1 ARG CD C -2.156 -7.555 1.640 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CD . . . . . . . . . c34016_5lff 1 . 6 . 600 . 1 1 1 ARG CG C -1.142 -7.518 0.487 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CG . . . . . . . . . c34016_5lff 1 . 6 . 601 . 1 1 1 ARG CZ C -4.292 -8.787 2.196 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CZ . . . . . . . . . c34016_5lff 1 . 6 . 602 . 1 1 1 ARG H2 H 1.852 -10.071 -1.894 . . . 1.0 . . . . . . . . . . . . A . 1 ARG H2 . . . . . . . . . c34016_5lff 1 . 6 . 603 . 1 1 1 ARG HA H 0.080 -8.571 -1.731 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HA . . . . . . . . . c34016_5lff 1 . 6 . 604 . 1 1 1 ARG HB2 H -0.823 -9.696 0.350 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HB2 . . . . . . . . . c34016_5lff 1 . 6 . 605 . 1 1 1 ARG HB3 H 0.335 -8.858 1.334 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HB3 . . . . . . . . . c34016_5lff 1 . 6 . 606 . 1 1 1 ARG HD2 H -1.603 -7.831 2.601 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HD2 . . . . . . . . . c34016_5lff 1 . 6 . 607 . 1 1 1 ARG HD3 H -2.579 -6.561 1.794 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HD3 . . . . . . . . . c34016_5lff 1 . 6 . 608 . 1 1 1 ARG HE H -3.211 -9.151 0.586 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HE . . . . . . . . . c34016_5lff 1 . 6 . 609 . 1 1 1 ARG HG2 H -0.531 -6.619 0.642 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HG2 . . . . . . . . . c34016_5lff 1 . 6 . 610 . 1 1 1 ARG HG3 H -1.653 -7.309 -0.502 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HG3 . . . . . . . . . c34016_5lff 1 . 6 . 611 . 1 1 1 ARG HH11 H -5.918 -9.870 2.468 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH11 . . . . . . . . . c34016_5lff 1 . 6 . 612 . 1 1 1 ARG HH12 H -4.912 -10.272 1.002 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH12 . . . . . . . . . c34016_5lff 1 . 6 . 613 . 1 1 1 ARG HH21 H -5.359 -8.451 3.836 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH21 . . . . . . . . . c34016_5lff 1 . 6 . 614 . 1 1 1 ARG HH22 H -3.848 -7.426 3.569 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH22 . . . . . . . . . c34016_5lff 1 . 6 . 615 . 1 1 1 ARG N N 1.369 -10.045 -0.986 . . . 1.0 . . . . . . . . . . . . A . 1 ARG N . . . . . . . . . c34016_5lff 1 . 6 . 616 . 1 1 1 ARG NE N -3.238 -8.564 1.390 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NE . . . . . . . . . c34016_5lff 1 . 6 . 617 . 1 1 1 ARG NH1 N -5.111 -9.741 1.857 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NH1 . . . . . . . . . c34016_5lff 1 . 6 . 618 . 1 1 1 ARG NH2 N -4.550 -8.135 3.298 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NH2 . . . . . . . . . c34016_5lff 1 . 6 . 619 . 1 1 1 ARG O O 2.291 -7.183 0.274 . . . 1.0 . . . . . . . . . . . . A . 1 ARG O . . . . . . . . . c34016_5lff 1 . 6 . 620 . 1 1 2 ALA C C 2.318 -4.427 -1.681 . . . 1.0 . . . . . . . . . . . . A . 2 ALA C . . . . . . . . . c34016_5lff 1 . 6 . 621 . 1 1 2 ALA CA C 2.991 -5.788 -2.064 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CA . . . . . . . . . c34016_5lff 1 . 6 . 622 . 1 1 2 ALA CB C 3.574 -5.882 -3.506 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CB . . . . . . . . . c34016_5lff 1 . 6 . 623 . 1 1 2 ALA H H 1.672 -7.378 -2.795 . . . 1.0 . . . . . . . . . . . . A . 2 ALA H . . . . . . . . . c34016_5lff 1 . 6 . 624 . 1 1 2 ALA HA H 3.846 -5.896 -1.376 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HA . . . . . . . . . c34016_5lff 1 . 6 . 625 . 1 1 2 ALA HB1 H 2.797 -5.804 -4.306 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB1 . . . . . . . . . c34016_5lff 1 . 6 . 626 . 1 1 2 ALA HB2 H 4.267 -5.037 -3.723 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB2 . . . . . . . . . c34016_5lff 1 . 6 . 627 . 1 1 2 ALA HB3 H 4.114 -6.825 -3.688 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB3 . . . . . . . . . c34016_5lff 1 . 6 . 628 . 1 1 2 ALA N N 2.097 -6.959 -1.953 . . . 1.0 . . . . . . . . . . . . A . 2 ALA N . . . . . . . . . c34016_5lff 1 . 6 . 629 . 1 1 2 ALA O O 2.006 -3.596 -2.553 . . . 1.0 . . . . . . . . . . . . A . 2 ALA O . . . . . . . . . c34016_5lff 1 . 6 . 630 . 1 1 3 CYS C C -0.094 -2.794 -0.065 . . . 1.0 . . . . . . . . . . . . A . 3 CYS C . . . . . . . . . c34016_5lff 1 . 6 . 631 . 1 1 3 CYS CA C 1.446 -2.982 0.218 . . . 1.0 . . . . . . . . . . . . A . 3 CYS CA . . . . . . . . . c34016_5lff 1 . 6 . 632 . 1 1 3 CYS CB C 2.311 -1.723 -0.076 . . . 1.0 . . . . . . . . . . . . A . 3 CYS CB . . . . . . . . . c34016_5lff 1 . 6 . 633 . 1 1 3 CYS H H 2.273 -5.025 0.255 . . . 1.0 . . . . . . . . . . . . A . 3 CYS H . . . . . . . . . c34016_5lff 1 . 6 . 634 . 1 1 3 CYS HA H 1.460 -3.148 1.312 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HA . . . . . . . . . c34016_5lff 1 . 6 . 635 . 1 1 3 CYS HB2 H 3.403 -1.925 0.026 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HB2 . . . . . . . . . c34016_5lff 1 . 6 . 636 . 1 1 3 CYS HB3 H 2.154 -1.355 -1.115 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HB3 . . . . . . . . . c34016_5lff 1 . 6 . 637 . 1 1 3 CYS N N 2.077 -4.200 -0.346 . . . 1.0 . . . . . . . . . . . . A . 3 CYS N . . . . . . . . . c34016_5lff 1 . 6 . 638 . 1 1 3 CYS O O -0.728 -3.540 -0.815 . . . 1.0 . . . . . . . . . . . . A . 3 CYS O . . . . . . . . . c34016_5lff 1 . 6 . 639 . 1 1 3 CYS SG S 1.942 -0.334 1.062 . . . 1.0 . . . . . . . . . . . . A . 3 CYS SG . . . . . . . . . c34016_5lff 1 . 6 . 640 . 1 1 4 ARG C C -1.887 -0.289 -1.203 . . . 1.0 . . . . . . . . . . . . A . 4 ARG C . . . . . . . . . c34016_5lff 1 . 6 . 641 . 1 1 4 ARG CA C -2.038 -1.230 0.056 . . . 1.0 . . . . . . . . . . . . A . 4 ARG CA . . . . . . . . . c34016_5lff 1 . 6 . 642 . 1 1 4 ARG CB C -2.729 -0.524 1.260 . . . 1.0 . . . . . . . . . . . . A . 4 ARG CB . . . . . . . . . c34016_5lff 1 . 6 . 643 . 1 1 4 ARG CD C -3.999 -0.771 3.499 . . . 1.0 . . . . . . . . . . . . A . 4 ARG CD . . . . . . . . . c34016_5lff 1 . 6 . 644 . 1 1 4 ARG CG C -3.230 -1.477 2.371 . . . 1.0 . . . . . . . . . . . . A . 4 ARG CG . . . . . . . . . c34016_5lff 1 . 6 . 645 . 1 1 4 ARG CZ C -6.127 0.556 3.769 . . . 1.0 . . . . . . . . . . . . A . 4 ARG CZ . . . . . . . . . c34016_5lff 1 . 6 . 646 . 1 1 4 ARG H H -0.023 -1.161 0.968 . . . 1.0 . . . . . . . . . . . . A . 4 ARG H . . . . . . . . . c34016_5lff 1 . 6 . 647 . 1 1 4 ARG HA H -2.713 -2.036 -0.259 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HA . . . . . . . . . c34016_5lff 1 . 6 . 648 . 1 1 4 ARG HB2 H -2.054 0.216 1.722 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HB2 . . . . . . . . . c34016_5lff 1 . 6 . 649 . 1 1 4 ARG HB3 H -3.585 0.090 0.875 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HB3 . . . . . . . . . c34016_5lff 1 . 6 . 650 . 1 1 4 ARG HD2 H -4.194 -1.488 4.309 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HD2 . . . . . . . . . c34016_5lff 1 . 6 . 651 . 1 1 4 ARG HD3 H -3.331 -0.023 3.997 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HD3 . . . . . . . . . c34016_5lff 1 . 6 . 652 . 1 1 4 ARG HE H -5.566 -0.207 2.062 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HE . . . . . . . . . c34016_5lff 1 . 6 . 653 . 1 1 4 ARG HG2 H -3.886 -2.278 1.953 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HG2 . . . . . . . . . c34016_5lff 1 . 6 . 654 . 1 1 4 ARG HG3 H -2.356 -2.006 2.797 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HG3 . . . . . . . . . c34016_5lff 1 . 6 . 655 . 1 1 4 ARG HH11 H -7.860 1.561 3.625 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HH11 . . . . . . . . . c34016_5lff 1 . 6 . 656 . 1 1 4 ARG HH12 H -7.235 0.769 2.156 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HH12 . . . . . . . . . c34016_5lff 1 . 6 . 657 . 1 1 4 ARG HH21 H -6.708 1.352 5.501 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HH21 . . . . . . . . . c34016_5lff 1 . 6 . 658 . 1 1 4 ARG HH22 H -5.128 0.390 5.463 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HH22 . . . . . . . . . c34016_5lff 1 . 6 . 659 . 1 1 4 ARG N N -0.705 -1.773 0.534 . . . 1.0 . . . . . . . . . . . . A . 4 ARG N . . . . . . . . . c34016_5lff 1 . 6 . 660 . 1 1 4 ARG NE N -5.258 -0.133 3.034 . . . 1.0 . . . . . . . . . . . . A . 4 ARG NE . . . . . . . . . c34016_5lff 1 . 6 . 661 . 1 1 4 ARG NH1 N -7.157 1.026 3.143 . . . 1.0 . . . . . . . . . . . . A . 4 ARG NH1 . . . . . . . . . c34016_5lff 1 . 6 . 662 . 1 1 4 ARG NH2 N -5.989 0.798 5.044 . . . 1.0 . . . . . . . . . . . . A . 4 ARG NH2 . . . . . . . . . c34016_5lff 1 . 6 . 663 . 1 1 4 ARG O O -2.442 -0.594 -2.262 . . . 1.0 . . . . . . . . . . . . A . 4 ARG O . . . . . . . . . c34016_5lff 1 . 6 . 664 . 1 1 5 PHE C C 0.518 2.399 -2.048 . . . 1.0 . . . . . . . . . . . . A . 5 PHE C . . . . . . . . . c34016_5lff 1 . 6 . 665 . 1 1 5 PHE CA C -0.901 1.765 -2.217 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CA . . . . . . . . . c34016_5lff 1 . 6 . 666 . 1 1 5 PHE CB C -2.071 2.739 -2.483 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CB . . . . . . . . . c34016_5lff 1 . 6 . 667 . 1 1 5 PHE CD1 C -3.441 3.254 -0.398 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CD1 . . . . . . . . . c34016_5lff 1 . 6 . 668 . 1 1 5 PHE CD2 C -2.063 5.006 -1.332 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CD2 . . . . . . . . . c34016_5lff 1 . 6 . 669 . 1 1 5 PHE CE1 C -3.903 4.101 0.598 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CE1 . . . . . . . . . c34016_5lff 1 . 6 . 670 . 1 1 5 PHE CE2 C -2.545 5.867 -0.333 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CE2 . . . . . . . . . c34016_5lff 1 . 6 . 671 . 1 1 5 PHE CG C -2.529 3.704 -1.370 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CG . . . . . . . . . c34016_5lff 1 . 6 . 672 . 1 1 5 PHE CZ C -3.467 5.428 0.606 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CZ . . . . . . . . . c34016_5lff 1 . 6 . 673 . 1 1 5 PHE H H -0.825 0.973 -0.155 . . . 1.0 . . . . . . . . . . . . A . 5 PHE H . . . . . . . . . c34016_5lff 1 . 6 . 674 . 1 1 5 PHE HA H -0.830 1.188 -3.152 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HA . . . . . . . . . c34016_5lff 1 . 6 . 675 . 1 1 5 PHE HB2 H -1.842 3.326 -3.393 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HB2 . . . . . . . . . c34016_5lff 1 . 6 . 676 . 1 1 5 PHE HB3 H -2.953 2.152 -2.800 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HB3 . . . . . . . . . c34016_5lff 1 . 6 . 677 . 1 1 5 PHE HD1 H -3.799 2.216 -0.470 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HD1 . . . . . . . . . c34016_5lff 1 . 6 . 678 . 1 1 5 PHE HD2 H -1.387 5.357 -2.101 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HD2 . . . . . . . . . c34016_5lff 1 . 6 . 679 . 1 1 5 PHE HE1 H -4.588 3.720 1.370 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HE1 . . . . . . . . . c34016_5lff 1 . 6 . 680 . 1 1 5 PHE HE2 H -2.198 6.905 -0.300 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HE2 . . . . . . . . . c34016_5lff 1 . 6 . 681 . 1 1 5 PHE HZ H -3.799 6.076 1.397 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HZ . . . . . . . . . c34016_5lff 1 . 6 . 682 . 1 1 5 PHE N N -1.183 0.829 -1.106 . . . 1.0 . . . . . . . . . . . . A . 5 PHE N . . . . . . . . . c34016_5lff 1 . 6 . 683 . 1 1 5 PHE O O 1.366 2.251 -2.911 . . . 1.0 . . . . . . . . . . . . A . 5 PHE O . . . . . . . . . c34016_5lff 1 . 6 . 684 . 1 1 6 PHE C C 2.545 2.996 0.755 . . . 1.0 . . . . . . . . . . . . A . 6 PHE C . . . . . . . . . c34016_5lff 1 . 6 . 685 . 1 1 6 PHE CA C 2.080 3.644 -0.576 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CA . . . . . . . . . c34016_5lff 1 . 6 . 686 . 1 1 6 PHE CB C 2.041 5.188 -0.543 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CB . . . . . . . . . c34016_5lff 1 . 6 . 687 . 1 1 6 PHE CD1 C 4.243 6.185 -1.421 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CD1 . . . . . . . . . c34016_5lff 1 . 6 . 688 . 1 1 6 PHE CD2 C 3.825 6.273 0.963 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CD2 . . . . . . . . . c34016_5lff 1 . 6 . 689 . 1 1 6 PHE CE1 C 5.515 6.716 -1.217 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CE1 . . . . . . . . . c34016_5lff 1 . 6 . 690 . 1 1 6 PHE CE2 C 5.106 6.794 1.170 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CE2 . . . . . . . . . c34016_5lff 1 . 6 . 691 . 1 1 6 PHE CG C 3.399 5.915 -0.327 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CG . . . . . . . . . c34016_5lff 1 . 6 . 692 . 1 1 6 PHE CZ C 5.942 6.992 0.071 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CZ . . . . . . . . . c34016_5lff 1 . 6 . 693 . 1 1 6 PHE H H -0.050 3.189 -0.300 . . . 1.0 . . . . . . . . . . . . A . 6 PHE H . . . . . . . . . c34016_5lff 1 . 6 . 694 . 1 1 6 PHE HA H 2.828 3.422 -1.352 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HA . . . . . . . . . c34016_5lff 1 . 6 . 695 . 1 1 6 PHE HB2 H 1.644 5.516 -1.513 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HB2 . . . . . . . . . c34016_5lff 1 . 6 . 696 . 1 1 6 PHE HB3 H 1.269 5.517 0.172 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HB3 . . . . . . . . . c34016_5lff 1 . 6 . 697 . 1 1 6 PHE HD1 H 3.986 5.848 -2.398 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HD1 . . . . . . . . . c34016_5lff 1 . 6 . 698 . 1 1 6 PHE HD2 H 3.195 6.041 1.824 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HD2 . . . . . . . . . c34016_5lff 1 . 6 . 699 . 1 1 6 PHE HE1 H 6.147 6.872 -2.093 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HE1 . . . . . . . . . c34016_5lff 1 . 6 . 700 . 1 1 6 PHE HE2 H 5.434 6.968 2.179 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HE2 . . . . . . . . . c34016_5lff 1 . 6 . 701 . 1 1 6 PHE HZ H 6.930 7.396 0.222 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HZ . . . . . . . . . c34016_5lff 1 . 6 . 702 . 1 1 6 PHE N N 0.741 3.119 -0.941 . . . 1.0 . . . . . . . . . . . . A . 6 PHE N . . . . . . . . . c34016_5lff 1 . 6 . 703 . 1 1 6 PHE O O 1.875 3.017 1.780 . . . 1.0 . . . . . . . . . . . . A . 6 PHE O . . . . . . . . . c34016_5lff 1 . 6 . 704 . 1 1 7 CYS C C 5.755 2.993 2.120 . . . 1.0 . . . . . . . . . . . . A . 7 CYS C . . . . . . . . . c34016_5lff 1 . 6 . 705 . 1 1 7 CYS CA C 4.491 2.137 2.007 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CA . . . . . . . . . c34016_5lff 1 . 6 . 706 . 1 1 7 CYS CB C 4.760 0.600 1.997 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CB . . . . . . . . . c34016_5lff 1 . 6 . 707 . 1 1 7 CYS H H 4.283 2.638 -0.134 . . . 1.0 . . . . . . . . . . . . A . 7 CYS H . . . . . . . . . c34016_5lff 1 . 6 . 708 . 1 1 7 CYS HA H 3.901 2.350 2.914 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HA . . . . . . . . . c34016_5lff 1 . 6 . 709 . 1 1 7 CYS HB2 H 5.175 0.281 1.030 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB2 . . . . . . . . . c34016_5lff 1 . 6 . 710 . 1 1 7 CYS HB3 H 5.574 0.390 2.708 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB3 . . . . . . . . . c34016_5lff 1 . 6 . 711 . 1 1 7 CYS N N 3.786 2.502 0.755 . . . 1.0 . . . . . . . . . . . . A . 7 CYS N . . . . . . . . . c34016_5lff 1 . 6 . 712 . 1 1 7 CYS O O 5.732 4.083 2.925 . . . 1.0 . . . . . . . . . . . . A . 7 CYS O . . . . . . . . . c34016_5lff 1 . 6 . 713 . 1 1 7 CYS OXT O 6.792 2.732 1.510 . . . 1.0 . . . . . . . . . . . . A . 7 CYS OXT . . . . . . . . . c34016_5lff 1 . 6 . 714 . 1 1 7 CYS SG S 3.307 -0.332 2.503 . . . 1.0 . . . . . . . . . . . . A . 7 CYS SG . . . . . . . . . c34016_5lff 1 . 7 . 715 . 1 1 1 ARG C C 1.851 -7.748 -0.705 . . . 1.0 . . . . . . . . . . . . A . 1 ARG C . . . . . . . . . c34016_5lff 1 . 7 . 716 . 1 1 1 ARG CA C 0.954 -8.981 -0.550 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CA . . . . . . . . . c34016_5lff 1 . 7 . 717 . 1 1 1 ARG CB C -0.087 -8.870 0.591 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CB . . . . . . . . . c34016_5lff 1 . 7 . 718 . 1 1 1 ARG CD C -2.263 -7.684 1.371 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CD . . . . . . . . . c34016_5lff 1 . 7 . 719 . 1 1 1 ARG CG C -1.153 -7.776 0.307 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CG . . . . . . . . . c34016_5lff 1 . 7 . 720 . 1 1 1 ARG CZ C -4.402 -8.911 1.909 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CZ . . . . . . . . . c34016_5lff 1 . 7 . 721 . 1 1 1 ARG H2 H 2.424 -10.250 -1.139 . . . 1.0 . . . . . . . . . . . . A . 1 ARG H2 . . . . . . . . . c34016_5lff 1 . 7 . 722 . 1 1 1 ARG HA H 0.375 -9.132 -1.488 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HA . . . . . . . . . c34016_5lff 1 . 7 . 723 . 1 1 1 ARG HB2 H -0.629 -9.830 0.699 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HB2 . . . . . . . . . c34016_5lff 1 . 7 . 724 . 1 1 1 ARG HB3 H 0.445 -8.741 1.572 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HB3 . . . . . . . . . c34016_5lff 1 . 7 . 725 . 1 1 1 ARG HD2 H -1.820 -7.640 2.361 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HD2 . . . . . . . . . c34016_5lff 1 . 7 . 726 . 1 1 1 ARG HD3 H -2.805 -6.712 1.267 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HD3 . . . . . . . . . c34016_5lff 1 . 7 . 727 . 1 1 1 ARG HE H -2.978 -9.656 0.684 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HE . . . . . . . . . c34016_5lff 1 . 7 . 728 . 1 1 1 ARG HG2 H -0.622 -6.767 0.259 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HG2 . . . . . . . . . c34016_5lff 1 . 7 . 729 . 1 1 1 ARG HG3 H -1.576 -7.875 -0.711 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HG3 . . . . . . . . . c34016_5lff 1 . 7 . 730 . 1 1 1 ARG HH11 H -5.991 -10.036 2.212 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH11 . . . . . . . . . c34016_5lff 1 . 7 . 731 . 1 1 1 ARG HH12 H -4.743 -10.673 1.044 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH12 . . . . . . . . . c34016_5lff 1 . 7 . 732 . 1 1 1 ARG HH21 H -5.772 -8.166 3.181 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH21 . . . . . . . . . c34016_5lff 1 . 7 . 733 . 1 1 1 ARG HH22 H -4.235 -7.223 2.976 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH22 . . . . . . . . . c34016_5lff 1 . 7 . 734 . 1 1 1 ARG N N 1.780 -10.216 -0.343 . . . 1.0 . . . . . . . . . . . . A . 1 ARG N . . . . . . . . . c34016_5lff 1 . 7 . 735 . 1 1 1 ARG NE N -3.230 -8.821 1.278 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NE . . . . . . . . . c34016_5lff 1 . 7 . 736 . 1 1 1 ARG NH1 N -5.128 -9.970 1.686 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NH1 . . . . . . . . . c34016_5lff 1 . 7 . 737 . 1 1 1 ARG NH2 N -4.847 -8.023 2.782 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NH2 . . . . . . . . . c34016_5lff 1 . 7 . 738 . 1 1 1 ARG O O 2.446 -7.272 0.277 . . . 1.0 . . . . . . . . . . . . A . 1 ARG O . . . . . . . . . c34016_5lff 1 . 7 . 739 . 1 1 2 ALA C C 2.096 -4.655 -2.014 . . . 1.0 . . . . . . . . . . . . A . 2 ALA C . . . . . . . . . c34016_5lff 1 . 7 . 740 . 1 1 2 ALA CA C 2.815 -6.017 -2.224 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CA . . . . . . . . . c34016_5lff 1 . 7 . 741 . 1 1 2 ALA CB C 3.337 -6.212 -3.667 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CB . . . . . . . . . c34016_5lff 1 . 7 . 742 . 1 1 2 ALA H H 1.315 -7.578 -2.641 . . . 1.0 . . . . . . . . . . . . A . 2 ALA H . . . . . . . . . c34016_5lff 1 . 7 . 743 . 1 1 2 ALA HA H 3.673 -6.044 -1.571 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HA . . . . . . . . . c34016_5lff 1 . 7 . 744 . 1 1 2 ALA HB1 H 2.518 -6.118 -4.398 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB1 . . . . . . . . . c34016_5lff 1 . 7 . 745 . 1 1 2 ALA HB2 H 4.036 -5.400 -3.913 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB2 . . . . . . . . . c34016_5lff 1 . 7 . 746 . 1 1 2 ALA HB3 H 3.832 -7.186 -3.851 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB3 . . . . . . . . . c34016_5lff 1 . 7 . 747 . 1 1 2 ALA N N 1.934 -7.178 -1.927 . . . 1.0 . . . . . . . . . . . . A . 2 ALA N . . . . . . . . . c34016_5lff 1 . 7 . 748 . 1 1 2 ALA O O 1.640 -4.001 -2.937 . . . 1.0 . . . . . . . . . . . . A . 2 ALA O . . . . . . . . . c34016_5lff 1 . 7 . 749 . 1 1 3 CYS C C -0.084 -2.670 -0.576 . . . 1.0 . . . . . . . . . . . . A . 3 CYS C . . . . . . . . . c34016_5lff 1 . 7 . 750 . 1 1 3 CYS CA C 1.421 -2.950 -0.266 . . . 1.0 . . . . . . . . . . . . A . 3 CYS CA . . . . . . . . . c34016_5lff 1 . 7 . 751 . 1 1 3 CYS CB C 2.364 -1.804 -0.758 . . . 1.0 . . . . . . . . . . . . A . 3 CYS CB . . . . . . . . . c34016_5lff 1 . 7 . 752 . 1 1 3 CYS H H 2.358 -4.942 -0.061 . . . 1.0 . . . . . . . . . . . . A . 3 CYS H . . . . . . . . . c34016_5lff 1 . 7 . 753 . 1 1 3 CYS HA H 1.566 -2.973 0.836 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HA . . . . . . . . . c34016_5lff 1 . 7 . 754 . 1 1 3 CYS HB2 H 3.412 -2.051 -0.585 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HB2 . . . . . . . . . c34016_5lff 1 . 7 . 755 . 1 1 3 CYS HB3 H 2.253 -1.711 -1.853 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HB3 . . . . . . . . . c34016_5lff 1 . 7 . 756 . 1 1 3 CYS N N 1.970 -4.262 -0.719 . . . 1.0 . . . . . . . . . . . . A . 3 CYS N . . . . . . . . . c34016_5lff 1 . 7 . 757 . 1 1 3 CYS O O -0.663 -3.118 -1.576 . . . 1.0 . . . . . . . . . . . . A . 3 CYS O . . . . . . . . . c34016_5lff 1 . 7 . 758 . 1 1 3 CYS SG S 2.024 -0.207 -0.002 . . . 1.0 . . . . . . . . . . . . A . 3 CYS SG . . . . . . . . . c34016_5lff 1 . 7 . 759 . 1 1 4 ARG C C -1.996 -0.126 -1.136 . . . 1.0 . . . . . . . . . . . . A . 4 ARG C . . . . . . . . . c34016_5lff 1 . 7 . 760 . 1 1 4 ARG CA C -2.040 -1.203 -0.004 . . . 1.0 . . . . . . . . . . . . A . 4 ARG CA . . . . . . . . . c34016_5lff 1 . 7 . 761 . 1 1 4 ARG CB C -2.656 -0.592 1.307 . . . 1.0 . . . . . . . . . . . . A . 4 ARG CB . . . . . . . . . c34016_5lff 1 . 7 . 762 . 1 1 4 ARG CD C -3.827 -0.946 3.602 . . . 1.0 . . . . . . . . . . . . A . 4 ARG CD . . . . . . . . . c34016_5lff 1 . 7 . 763 . 1 1 4 ARG CG C -3.268 -1.594 2.326 . . . 1.0 . . . . . . . . . . . . A . 4 ARG CG . . . . . . . . . c34016_5lff 1 . 7 . 764 . 1 1 4 ARG CZ C -5.682 0.668 4.130 . . . 1.0 . . . . . . . . . . . . A . 4 ARG CZ . . . . . . . . . c34016_5lff 1 . 7 . 765 . 1 1 4 ARG H H -0.107 -1.577 1.079 . . . 1.0 . . . . . . . . . . . . A . 4 ARG H . . . . . . . . . c34016_5lff 1 . 7 . 766 . 1 1 4 ARG HA H -2.739 -1.983 -0.394 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HA . . . . . . . . . c34016_5lff 1 . 7 . 767 . 1 1 4 ARG HB2 H -1.865 -0.012 1.818 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HB2 . . . . . . . . . c34016_5lff 1 . 7 . 768 . 1 1 4 ARG HB3 H -3.430 0.189 1.048 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HB3 . . . . . . . . . c34016_5lff 1 . 7 . 769 . 1 1 4 ARG HD2 H -4.002 -1.726 4.369 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HD2 . . . . . . . . . c34016_5lff 1 . 7 . 770 . 1 1 4 ARG HD3 H -3.082 -0.244 4.031 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HD3 . . . . . . . . . c34016_5lff 1 . 7 . 771 . 1 1 4 ARG HE H -5.514 -0.246 2.361 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HE . . . . . . . . . c34016_5lff 1 . 7 . 772 . 1 1 4 ARG HG2 H -4.001 -2.260 1.827 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HG2 . . . . . . . . . c34016_5lff 1 . 7 . 773 . 1 1 4 ARG HG3 H -2.449 -2.273 2.631 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HG3 . . . . . . . . . c34016_5lff 1 . 7 . 774 . 1 1 4 ARG HH11 H -7.053 2.122 4.344 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HH11 . . . . . . . . . c34016_5lff 1 . 7 . 775 . 1 1 4 ARG HH12 H -6.955 1.273 2.724 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HH12 . . . . . . . . . c34016_5lff 1 . 7 . 776 . 1 1 4 ARG HH21 H -5.795 1.488 5.948 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HH21 . . . . . . . . . c34016_5lff 1 . 7 . 777 . 1 1 4 ARG HH22 H -4.555 0.171 5.686 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HH22 . . . . . . . . . c34016_5lff 1 . 7 . 778 . 1 1 4 ARG N N -0.722 -1.875 0.304 . . . 1.0 . . . . . . . . . . . . A . 4 ARG N . . . . . . . . . c34016_5lff 1 . 7 . 779 . 1 1 4 ARG NE N -5.090 -0.187 3.285 . . . 1.0 . . . . . . . . . . . . A . 4 ARG NE . . . . . . . . . c34016_5lff 1 . 7 . 780 . 1 1 4 ARG NH1 N -6.664 1.431 3.703 . . . 1.0 . . . . . . . . . . . . A . 4 ARG NH1 . . . . . . . . . c34016_5lff 1 . 7 . 781 . 1 1 4 ARG NH2 N -5.330 0.791 5.368 . . . 1.0 . . . . . . . . . . . . A . 4 ARG NH2 . . . . . . . . . c34016_5lff 1 . 7 . 782 . 1 1 4 ARG O O -2.751 -0.237 -2.113 . . . 1.0 . . . . . . . . . . . . A . 4 ARG O . . . . . . . . . c34016_5lff 1 . 7 . 783 . 1 1 5 PHE C C 0.533 2.558 -1.890 . . . 1.0 . . . . . . . . . . . . A . 5 PHE C . . . . . . . . . c34016_5lff 1 . 7 . 784 . 1 1 5 PHE CA C -0.880 1.895 -2.085 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CA . . . . . . . . . c34016_5lff 1 . 7 . 785 . 1 1 5 PHE CB C -2.029 2.950 -2.311 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CB . . . . . . . . . c34016_5lff 1 . 7 . 786 . 1 1 5 PHE CD1 C -2.960 3.778 -0.055 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CD1 . . . . . . . . . c34016_5lff 1 . 7 . 787 . 1 1 5 PHE CD2 C -1.897 5.392 -1.510 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CD2 . . . . . . . . . c34016_5lff 1 . 7 . 788 . 1 1 5 PHE CE1 C -3.184 4.766 0.885 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CE1 . . . . . . . . . c34016_5lff 1 . 7 . 789 . 1 1 5 PHE CE2 C -2.113 6.391 -0.555 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CE2 . . . . . . . . . c34016_5lff 1 . 7 . 790 . 1 1 5 PHE CG C -2.326 4.074 -1.281 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CG . . . . . . . . . c34016_5lff 1 . 7 . 791 . 1 1 5 PHE CZ C -2.736 6.059 0.649 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CZ . . . . . . . . . c34016_5lff 1 . 7 . 792 . 1 1 5 PHE H H -0.713 0.924 -0.062 . . . 1.0 . . . . . . . . . . . . A . 5 PHE H . . . . . . . . . c34016_5lff 1 . 7 . 793 . 1 1 5 PHE HA H -0.775 1.319 -3.020 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HA . . . . . . . . . c34016_5lff 1 . 7 . 794 . 1 1 5 PHE HB2 H -1.886 3.371 -3.324 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HB2 . . . . . . . . . c34016_5lff 1 . 7 . 795 . 1 1 5 PHE HB3 H -2.972 2.378 -2.432 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HB3 . . . . . . . . . c34016_5lff 1 . 7 . 796 . 1 1 5 PHE HD1 H -3.288 2.769 0.111 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HD1 . . . . . . . . . c34016_5lff 1 . 7 . 797 . 1 1 5 PHE HD2 H -1.464 5.630 -2.461 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HD2 . . . . . . . . . c34016_5lff 1 . 7 . 798 . 1 1 5 PHE HE1 H -3.658 4.514 1.837 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HE1 . . . . . . . . . c34016_5lff 1 . 7 . 799 . 1 1 5 PHE HE2 H -1.787 7.406 -0.741 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HE2 . . . . . . . . . c34016_5lff 1 . 7 . 800 . 1 1 5 PHE HZ H -2.847 6.832 1.383 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HZ . . . . . . . . . c34016_5lff 1 . 7 . 801 . 1 1 5 PHE N N -1.159 0.941 -0.977 . . . 1.0 . . . . . . . . . . . . A . 5 PHE N . . . . . . . . . c34016_5lff 1 . 7 . 802 . 1 1 5 PHE O O 1.432 2.262 -2.681 . . . 1.0 . . . . . . . . . . . . A . 5 PHE O . . . . . . . . . c34016_5lff 1 . 7 . 803 . 1 1 6 PHE C C 2.584 3.343 0.883 . . . 1.0 . . . . . . . . . . . . A . 6 PHE C . . . . . . . . . c34016_5lff 1 . 7 . 804 . 1 1 6 PHE CA C 2.098 3.955 -0.475 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CA . . . . . . . . . c34016_5lff 1 . 7 . 805 . 1 1 6 PHE CB C 1.891 5.513 -0.426 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CB . . . . . . . . . c34016_5lff 1 . 7 . 806 . 1 1 6 PHE CD1 C 3.923 6.663 -1.475 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CD1 . . . . . . . . . c34016_5lff 1 . 7 . 807 . 1 1 6 PHE CD2 C 3.711 6.690 0.935 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CD2 . . . . . . . . . c34016_5lff 1 . 7 . 808 . 1 1 6 PHE CE1 C 5.115 7.374 -1.369 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CE1 . . . . . . . . . c34016_5lff 1 . 7 . 809 . 1 1 6 PHE CE2 C 4.940 7.326 1.025 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CE2 . . . . . . . . . c34016_5lff 1 . 7 . 810 . 1 1 6 PHE CG C 3.215 6.299 -0.316 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CG . . . . . . . . . c34016_5lff 1 . 7 . 811 . 1 1 6 PHE CZ C 5.629 7.711 -0.125 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CZ . . . . . . . . . c34016_5lff 1 . 7 . 812 . 1 1 6 PHE H H -0.047 3.476 -0.176 . . . 1.0 . . . . . . . . . . . . A . 6 PHE H . . . . . . . . . c34016_5lff 1 . 7 . 813 . 1 1 6 PHE HA H 2.819 3.760 -1.281 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HA . . . . . . . . . c34016_5lff 1 . 7 . 814 . 1 1 6 PHE HB2 H 1.351 5.870 -1.319 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HB2 . . . . . . . . . c34016_5lff 1 . 7 . 815 . 1 1 6 PHE HB3 H 1.219 5.791 0.400 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HB3 . . . . . . . . . c34016_5lff 1 . 7 . 816 . 1 1 6 PHE HD1 H 3.542 6.412 -2.433 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HD1 . . . . . . . . . c34016_5lff 1 . 7 . 817 . 1 1 6 PHE HD2 H 3.143 6.473 1.836 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HD2 . . . . . . . . . c34016_5lff 1 . 7 . 818 . 1 1 6 PHE HE1 H 5.699 7.561 -2.264 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HE1 . . . . . . . . . c34016_5lff 1 . 7 . 819 . 1 1 6 PHE HE2 H 5.310 7.599 1.983 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HE2 . . . . . . . . . c34016_5lff 1 . 7 . 820 . 1 1 6 PHE HZ H 6.577 8.210 -0.069 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HZ . . . . . . . . . c34016_5lff 1 . 7 . 821 . 1 1 6 PHE N N 0.762 3.360 -0.809 . . . 1.0 . . . . . . . . . . . . A . 6 PHE N . . . . . . . . . c34016_5lff 1 . 7 . 822 . 1 1 6 PHE O O 1.914 3.491 1.921 . . . 1.0 . . . . . . . . . . . . A . 6 PHE O . . . . . . . . . c34016_5lff 1 . 7 . 823 . 1 1 7 CYS C C 5.822 2.691 2.242 . . . 1.0 . . . . . . . . . . . . A . 7 CYS C . . . . . . . . . c34016_5lff 1 . 7 . 824 . 1 1 7 CYS CA C 4.412 2.079 2.062 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CA . . . . . . . . . c34016_5lff 1 . 7 . 825 . 1 1 7 CYS CB C 4.410 0.538 1.904 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CB . . . . . . . . . c34016_5lff 1 . 7 . 826 . 1 1 7 CYS H H 4.243 2.650 -0.061 . . . 1.0 . . . . . . . . . . . . A . 7 CYS H . . . . . . . . . c34016_5lff 1 . 7 . 827 . 1 1 7 CYS HA H 3.894 2.385 2.995 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HA . . . . . . . . . c34016_5lff 1 . 7 . 828 . 1 1 7 CYS HB2 H 4.923 0.201 0.988 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB2 . . . . . . . . . c34016_5lff 1 . 7 . 829 . 1 1 7 CYS HB3 H 4.942 0.063 2.742 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB3 . . . . . . . . . c34016_5lff 1 . 7 . 830 . 1 1 7 CYS N N 3.773 2.663 0.849 . . . 1.0 . . . . . . . . . . . . A . 7 CYS N . . . . . . . . . c34016_5lff 1 . 7 . 831 . 1 1 7 CYS O O 5.918 4.038 2.349 . . . 1.0 . . . . . . . . . . . . A . 7 CYS O . . . . . . . . . c34016_5lff 1 . 7 . 832 . 1 1 7 CYS OXT O 6.862 2.034 2.294 . . . 1.0 . . . . . . . . . . . . A . 7 CYS OXT . . . . . . . . . c34016_5lff 1 . 7 . 833 . 1 1 7 CYS SG S 2.723 -0.160 1.862 . . . 1.0 . . . . . . . . . . . . A . 7 CYS SG . . . . . . . . . c34016_5lff 1 . 8 . 834 . 1 1 1 ARG C C 1.862 -7.530 -0.890 . . . 1.0 . . . . . . . . . . . . A . 1 ARG C . . . . . . . . . c34016_5lff 1 . 8 . 835 . 1 1 1 ARG CA C 0.815 -8.693 -0.776 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CA . . . . . . . . . c34016_5lff 1 . 8 . 836 . 1 1 1 ARG CB C -0.220 -8.416 0.354 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CB . . . . . . . . . c34016_5lff 1 . 8 . 837 . 1 1 1 ARG CD C -2.153 -7.000 1.272 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CD . . . . . . . . . c34016_5lff 1 . 8 . 838 . 1 1 1 ARG CG C -1.095 -7.146 0.179 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CG . . . . . . . . . c34016_5lff 1 . 8 . 839 . 1 1 1 ARG CZ C -4.285 -8.151 1.963 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CZ . . . . . . . . . c34016_5lff 1 . 8 . 840 . 1 1 1 ARG H2 H 2.122 -10.181 -1.296 . . . 1.0 . . . . . . . . . . . . A . 1 ARG H2 . . . . . . . . . c34016_5lff 1 . 8 . 841 . 1 1 1 ARG HA H 0.252 -8.844 -1.714 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HA . . . . . . . . . c34016_5lff 1 . 8 . 842 . 1 1 1 ARG HB2 H -0.862 -9.335 0.433 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HB2 . . . . . . . . . c34016_5lff 1 . 8 . 843 . 1 1 1 ARG HB3 H 0.303 -8.355 1.343 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HB3 . . . . . . . . . c34016_5lff 1 . 8 . 844 . 1 1 1 ARG HD2 H -1.695 -7.011 2.285 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HD2 . . . . . . . . . c34016_5lff 1 . 8 . 845 . 1 1 1 ARG HD3 H -2.590 -5.962 1.196 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HD3 . . . . . . . . . c34016_5lff 1 . 8 . 846 . 1 1 1 ARG HE H -3.235 -8.687 0.388 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HE . . . . . . . . . c34016_5lff 1 . 8 . 847 . 1 1 1 ARG HG2 H -0.392 -6.295 0.197 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HG2 . . . . . . . . . c34016_5lff 1 . 8 . 848 . 1 1 1 ARG HG3 H -1.544 -7.104 -0.845 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HG3 . . . . . . . . . c34016_5lff 1 . 8 . 849 . 1 1 1 ARG HH11 H -5.951 -9.158 2.320 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH11 . . . . . . . . . c34016_5lff 1 . 8 . 850 . 1 1 1 ARG HH12 H -4.941 -9.670 0.871 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH12 . . . . . . . . . c34016_5lff 1 . 8 . 851 . 1 1 1 ARG HH21 H -5.355 -7.622 3.576 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH21 . . . . . . . . . c34016_5lff 1 . 8 . 852 . 1 1 1 ARG HH22 H -3.839 -6.693 3.214 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH22 . . . . . . . . . c34016_5lff 1 . 8 . 853 . 1 1 1 ARG N N 1.500 -9.962 -0.507 . . . 1.0 . . . . . . . . . . . . A . 1 ARG N . . . . . . . . . c34016_5lff 1 . 8 . 854 . 1 1 1 ARG NE N -3.240 -8.010 1.149 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NE . . . . . . . . . c34016_5lff 1 . 8 . 855 . 1 1 1 ARG NH1 N -5.134 -9.093 1.693 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NH1 . . . . . . . . . c34016_5lff 1 . 8 . 856 . 1 1 1 ARG NH2 N -4.540 -7.401 2.991 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NH2 . . . . . . . . . c34016_5lff 1 . 8 . 857 . 1 1 1 ARG O O 2.506 -7.140 0.079 . . . 1.0 . . . . . . . . . . . . A . 1 ARG O . . . . . . . . . c34016_5lff 1 . 8 . 858 . 1 1 2 ALA C C 2.175 -4.368 -1.846 . . . 1.0 . . . . . . . . . . . . A . 2 ALA C . . . . . . . . . c34016_5lff 1 . 8 . 859 . 1 1 2 ALA CA C 2.850 -5.706 -2.266 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CA . . . . . . . . . c34016_5lff 1 . 8 . 860 . 1 1 2 ALA CB C 3.238 -5.757 -3.763 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CB . . . . . . . . . c34016_5lff 1 . 8 . 861 . 1 1 2 ALA H H 1.327 -7.203 -2.801 . . . 1.0 . . . . . . . . . . . . A . 2 ALA H . . . . . . . . . c34016_5lff 1 . 8 . 862 . 1 1 2 ALA HA H 3.780 -5.823 -1.695 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HA . . . . . . . . . c34016_5lff 1 . 8 . 863 . 1 1 2 ALA HB1 H 2.368 -5.728 -4.418 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB1 . . . . . . . . . c34016_5lff 1 . 8 . 864 . 1 1 2 ALA HB2 H 3.856 -4.896 -4.054 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB2 . . . . . . . . . c34016_5lff 1 . 8 . 865 . 1 1 2 ALA HB3 H 3.852 -6.646 -4.022 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB3 . . . . . . . . . c34016_5lff 1 . 8 . 866 . 1 1 2 ALA N N 1.948 -6.871 -2.069 . . . 1.0 . . . . . . . . . . . . A . 2 ALA N . . . . . . . . . c34016_5lff 1 . 8 . 867 . 1 1 2 ALA O O 1.710 -3.615 -2.699 . . . 1.0 . . . . . . . . . . . . A . 2 ALA O . . . . . . . . . c34016_5lff 1 . 8 . 868 . 1 1 3 CYS C C -0.130 -2.775 -0.086 . . . 1.0 . . . . . . . . . . . . A . 3 CYS C . . . . . . . . . c34016_5lff 1 . 8 . 869 . 1 1 3 CYS CA C 1.453 -2.889 0.086 . . . 1.0 . . . . . . . . . . . . A . 3 CYS CA . . . . . . . . . c34016_5lff 1 . 8 . 870 . 1 1 3 CYS CB C 2.275 -1.650 -0.381 . . . 1.0 . . . . . . . . . . . . A . 3 CYS CB . . . . . . . . . c34016_5lff 1 . 8 . 871 . 1 1 3 CYS H H 2.502 -4.858 0.053 . . . 1.0 . . . . . . . . . . . . A . 3 CYS H . . . . . . . . . c34016_5lff 1 . 8 . 872 . 1 1 3 CYS HA H 1.592 -2.994 1.173 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HA . . . . . . . . . c34016_5lff 1 . 8 . 873 . 1 1 3 CYS HB2 H 3.375 -1.814 -0.362 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HB2 . . . . . . . . . c34016_5lff 1 . 8 . 874 . 1 1 3 CYS HB3 H 2.069 -1.411 -1.431 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HB3 . . . . . . . . . c34016_5lff 1 . 8 . 875 . 1 1 3 CYS N N 2.120 -4.098 -0.518 . . . 1.0 . . . . . . . . . . . . A . 3 CYS N . . . . . . . . . c34016_5lff 1 . 8 . 876 . 1 1 3 CYS O O -0.754 -3.583 -0.747 . . . 1.0 . . . . . . . . . . . . A . 3 CYS O . . . . . . . . . c34016_5lff 1 . 8 . 877 . 1 1 3 CYS SG S 1.939 -0.155 0.586 . . . 1.0 . . . . . . . . . . . . A . 3 CYS SG . . . . . . . . . c34016_5lff 1 . 8 . 878 . 1 1 4 ARG C C -1.992 -0.336 -1.174 . . . 1.0 . . . . . . . . . . . . A . 4 ARG C . . . . . . . . . c34016_5lff 1 . 8 . 879 . 1 1 4 ARG CA C -2.108 -1.256 0.067 . . . 1.0 . . . . . . . . . . . . A . 4 ARG CA . . . . . . . . . c34016_5lff 1 . 8 . 880 . 1 1 4 ARG CB C -2.931 -0.623 1.210 . . . 1.0 . . . . . . . . . . . . A . 4 ARG CB . . . . . . . . . c34016_5lff 1 . 8 . 881 . 1 1 4 ARG CD C -3.967 -0.854 3.592 . . . 1.0 . . . . . . . . . . . . A . 4 ARG CD . . . . . . . . . c34016_5lff 1 . 8 . 882 . 1 1 4 ARG CG C -3.364 -1.561 2.365 . . . 1.0 . . . . . . . . . . . . A . 4 ARG CG . . . . . . . . . c34016_5lff 1 . 8 . 883 . 1 1 4 ARG CZ C -5.971 0.617 4.013 . . . 1.0 . . . . . . . . . . . . A . 4 ARG CZ . . . . . . . . . c34016_5lff 1 . 8 . 884 . 1 1 4 ARG H H -0.126 -1.216 1.118 . . . 1.0 . . . . . . . . . . . . A . 4 ARG H . . . . . . . . . c34016_5lff 1 . 8 . 885 . 1 1 4 ARG HA H -2.729 -2.121 -0.246 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HA . . . . . . . . . c34016_5lff 1 . 8 . 886 . 1 1 4 ARG HB2 H -2.354 0.224 1.619 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HB2 . . . . . . . . . c34016_5lff 1 . 8 . 887 . 1 1 4 ARG HB3 H -3.817 -0.132 0.774 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HB3 . . . . . . . . . c34016_5lff 1 . 8 . 888 . 1 1 4 ARG HD2 H -4.034 -1.567 4.449 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HD2 . . . . . . . . . c34016_5lff 1 . 8 . 889 . 1 1 4 ARG HD3 H -3.291 -0.057 3.907 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HD3 . . . . . . . . . c34016_5lff 1 . 8 . 890 . 1 1 4 ARG HE H -5.824 -0.620 2.443 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HE . . . . . . . . . c34016_5lff 1 . 8 . 891 . 1 1 4 ARG HG2 H -3.992 -2.373 1.981 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HG2 . . . . . . . . . c34016_5lff 1 . 8 . 892 . 1 1 4 ARG HG3 H -2.483 -2.105 2.761 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HG3 . . . . . . . . . c34016_5lff 1 . 8 . 893 . 1 1 4 ARG HH11 H -7.726 1.613 4.246 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HH11 . . . . . . . . . c34016_5lff 1 . 8 . 894 . 1 1 4 ARG HH12 H -7.544 0.512 2.803 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HH12 . . . . . . . . . c34016_5lff 1 . 8 . 895 . 1 1 4 ARG HH21 H -6.053 1.826 5.597 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HH21 . . . . . . . . . c34016_5lff 1 . 8 . 896 . 1 1 4 ARG HH22 H -4.543 0.881 5.306 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HH22 . . . . . . . . . c34016_5lff 1 . 8 . 897 . 1 1 4 ARG N N -0.783 -1.755 0.555 . . . 1.0 . . . . . . . . . . . . A . 4 ARG N . . . . . . . . . c34016_5lff 1 . 8 . 898 . 1 1 4 ARG NE N -5.315 -0.287 3.275 . . . 1.0 . . . . . . . . . . . . A . 4 ARG NE . . . . . . . . . c34016_5lff 1 . 8 . 899 . 1 1 4 ARG NH1 N -7.201 0.947 3.654 . . . 1.0 . . . . . . . . . . . . A . 4 ARG NH1 . . . . . . . . . c34016_5lff 1 . 8 . 900 . 1 1 4 ARG NH2 N -5.473 1.170 5.085 . . . 1.0 . . . . . . . . . . . . A . 4 ARG NH2 . . . . . . . . . c34016_5lff 1 . 8 . 901 . 1 1 4 ARG O O -2.657 -0.614 -2.180 . . . 1.0 . . . . . . . . . . . . A . 4 ARG O . . . . . . . . . c34016_5lff 1 . 8 . 902 . 1 1 5 PHE C C 0.676 2.169 -1.954 . . . 1.0 . . . . . . . . . . . . A . 5 PHE C . . . . . . . . . c34016_5lff 1 . 8 . 903 . 1 1 5 PHE CA C -0.735 1.583 -2.246 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CA . . . . . . . . . c34016_5lff 1 . 8 . 904 . 1 1 5 PHE CB C -1.865 2.600 -2.698 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CB . . . . . . . . . c34016_5lff 1 . 8 . 905 . 1 1 5 PHE CD1 C -3.441 3.181 -0.776 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CD1 . . . . . . . . . c34016_5lff 1 . 8 . 906 . 1 1 5 PHE CD2 C -1.854 4.853 -1.550 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CD2 . . . . . . . . . c34016_5lff 1 . 8 . 907 . 1 1 5 PHE CE1 C -3.852 4.070 0.231 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CE1 . . . . . . . . . c34016_5lff 1 . 8 . 908 . 1 1 5 PHE CE2 C -2.264 5.714 -0.552 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CE2 . . . . . . . . . c34016_5lff 1 . 8 . 909 . 1 1 5 PHE CG C -2.406 3.566 -1.631 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CG . . . . . . . . . c34016_5lff 1 . 8 . 910 . 1 1 5 PHE CZ C -3.247 5.323 0.348 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CZ . . . . . . . . . c34016_5lff 1 . 8 . 911 . 1 1 5 PHE H H -0.634 0.771 -0.207 . . . 1.0 . . . . . . . . . . . . A . 5 PHE H . . . . . . . . . c34016_5lff 1 . 8 . 912 . 1 1 5 PHE HA H -0.579 0.931 -3.145 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HA . . . . . . . . . c34016_5lff 1 . 8 . 913 . 1 1 5 PHE HB2 H -1.497 3.216 -3.554 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HB2 . . . . . . . . . c34016_5lff 1 . 8 . 914 . 1 1 5 PHE HB3 H -2.689 2.023 -3.170 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HB3 . . . . . . . . . c34016_5lff 1 . 8 . 915 . 1 1 5 PHE HD1 H -3.892 2.224 -0.865 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HD1 . . . . . . . . . c34016_5lff 1 . 8 . 916 . 1 1 5 PHE HD2 H -1.123 5.166 -2.257 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HD2 . . . . . . . . . c34016_5lff 1 . 8 . 917 . 1 1 5 PHE HE1 H -4.641 3.813 0.926 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HE1 . . . . . . . . . c34016_5lff 1 . 8 . 918 . 1 1 5 PHE HE2 H -1.881 6.714 -0.494 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HE2 . . . . . . . . . c34016_5lff 1 . 8 . 919 . 1 1 5 PHE HZ H -3.551 5.987 1.133 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HZ . . . . . . . . . c34016_5lff 1 . 8 . 920 . 1 1 5 PHE N N -1.120 0.708 -1.115 . . . 1.0 . . . . . . . . . . . . A . 5 PHE N . . . . . . . . . c34016_5lff 1 . 8 . 921 . 1 1 5 PHE O O 1.633 1.820 -2.670 . . . 1.0 . . . . . . . . . . . . A . 5 PHE O . . . . . . . . . c34016_5lff 1 . 8 . 922 . 1 1 6 PHE C C 2.560 3.173 0.817 . . . 1.0 . . . . . . . . . . . . A . 6 PHE C . . . . . . . . . c34016_5lff 1 . 8 . 923 . 1 1 6 PHE CA C 2.077 3.693 -0.566 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CA . . . . . . . . . c34016_5lff 1 . 8 . 924 . 1 1 6 PHE CB C 1.870 5.231 -0.609 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CB . . . . . . . . . c34016_5lff 1 . 8 . 925 . 1 1 6 PHE CD1 C 4.002 6.192 -1.662 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CD1 . . . . . . . . . c34016_5lff 1 . 8 . 926 . 1 1 6 PHE CD2 C 3.651 6.445 0.712 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CD2 . . . . . . . . . c34016_5lff 1 . 8 . 927 . 1 1 6 PHE CE1 C 5.236 6.821 -1.548 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CE1 . . . . . . . . . c34016_5lff 1 . 8 . 928 . 1 1 6 PHE CE2 C 4.911 7.034 0.819 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CE2 . . . . . . . . . c34016_5lff 1 . 8 . 929 . 1 1 6 PHE CG C 3.189 6.005 -0.532 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CG . . . . . . . . . c34016_5lff 1 . 8 . 930 . 1 1 6 PHE CZ C 5.720 7.202 -0.307 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CZ . . . . . . . . . c34016_5lff 1 . 8 . 931 . 1 1 6 PHE H H -0.065 3.250 -0.412 . . . 1.0 . . . . . . . . . . . . A . 6 PHE H . . . . . . . . . c34016_5lff 1 . 8 . 932 . 1 1 6 PHE HA H 2.831 3.465 -1.339 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HA . . . . . . . . . c34016_5lff 1 . 8 . 933 . 1 1 6 PHE HB2 H 1.412 5.479 -1.575 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HB2 . . . . . . . . . c34016_5lff 1 . 8 . 934 . 1 1 6 PHE HB3 H 1.141 5.537 0.151 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HB3 . . . . . . . . . c34016_5lff 1 . 8 . 935 . 1 1 6 PHE HD1 H 3.674 5.799 -2.615 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HD1 . . . . . . . . . c34016_5lff 1 . 8 . 936 . 1 1 6 PHE HD2 H 3.002 6.401 1.569 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HD2 . . . . . . . . . c34016_5lff 1 . 8 . 937 . 1 1 6 PHE HE1 H 5.867 6.910 -2.419 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HE1 . . . . . . . . . c34016_5lff 1 . 8 . 938 . 1 1 6 PHE HE2 H 5.245 7.335 1.803 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HE2 . . . . . . . . . c34016_5lff 1 . 8 . 939 . 1 1 6 PHE HZ H 6.703 7.609 -0.221 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HZ . . . . . . . . . c34016_5lff 1 . 8 . 940 . 1 1 6 PHE N N 0.799 3.049 -0.925 . . . 1.0 . . . . . . . . . . . . A . 6 PHE N . . . . . . . . . c34016_5lff 1 . 8 . 941 . 1 1 6 PHE O O 1.927 3.449 1.846 . . . 1.0 . . . . . . . . . . . . A . 6 PHE O . . . . . . . . . c34016_5lff 1 . 8 . 942 . 1 1 7 CYS C C 5.783 2.810 2.189 . . . 1.0 . . . . . . . . . . . . A . 7 CYS C . . . . . . . . . c34016_5lff 1 . 8 . 943 . 1 1 7 CYS CA C 4.429 2.122 2.048 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CA . . . . . . . . . c34016_5lff 1 . 8 . 944 . 1 1 7 CYS CB C 4.531 0.590 2.002 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CB . . . . . . . . . c34016_5lff 1 . 8 . 945 . 1 1 7 CYS H H 4.137 2.368 -0.116 . . . 1.0 . . . . . . . . . . . . A . 7 CYS H . . . . . . . . . c34016_5lff 1 . 8 . 946 . 1 1 7 CYS HA H 3.814 2.424 2.952 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HA . . . . . . . . . c34016_5lff 1 . 8 . 947 . 1 1 7 CYS HB2 H 4.944 0.253 1.021 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB2 . . . . . . . . . c34016_5lff 1 . 8 . 948 . 1 1 7 CYS HB3 H 5.228 0.191 2.773 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB3 . . . . . . . . . c34016_5lff 1 . 8 . 949 . 1 1 7 CYS N N 3.743 2.534 0.817 . . . 1.0 . . . . . . . . . . . . A . 7 CYS N . . . . . . . . . c34016_5lff 1 . 8 . 950 . 1 1 7 CYS O O 5.815 4.164 2.161 . . . 1.0 . . . . . . . . . . . . A . 7 CYS O . . . . . . . . . c34016_5lff 1 . 8 . 951 . 1 1 7 CYS OXT O 6.837 2.216 2.325 . . . 1.0 . . . . . . . . . . . . A . 7 CYS OXT . . . . . . . . . c34016_5lff 1 . 8 . 952 . 1 1 7 CYS SG S 2.946 -0.196 2.305 . . . 1.0 . . . . . . . . . . . . A . 7 CYS SG . . . . . . . . . c34016_5lff 1 . 9 . 953 . 1 1 1 ARG C C 1.646 -7.550 -0.794 . . . 1.0 . . . . . . . . . . . . A . 1 ARG C . . . . . . . . . c34016_5lff 1 . 9 . 954 . 1 1 1 ARG CA C 0.587 -8.666 -0.757 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CA . . . . . . . . . c34016_5lff 1 . 9 . 955 . 1 1 1 ARG CB C -0.510 -8.479 0.311 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CB . . . . . . . . . c34016_5lff 1 . 9 . 956 . 1 1 1 ARG CD C -2.629 -7.159 1.091 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CD . . . . . . . . . c34016_5lff 1 . 9 . 957 . 1 1 1 ARG CG C -1.404 -7.217 0.173 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CG . . . . . . . . . c34016_5lff 1 . 9 . 958 . 1 1 1 ARG CZ C -4.650 -8.656 1.471 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CZ . . . . . . . . . c34016_5lff 1 . 9 . 959 . 1 1 1 ARG H2 H 1.949 -10.166 -1.286 . . . 1.0 . . . . . . . . . . . . A . 1 ARG H2 . . . . . . . . . c34016_5lff 1 . 9 . 960 . 1 1 1 ARG HA H 0.071 -8.728 -1.741 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HA . . . . . . . . . c34016_5lff 1 . 9 . 961 . 1 1 1 ARG HB2 H -1.169 -9.378 0.295 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HB2 . . . . . . . . . c34016_5lff 1 . 9 . 962 . 1 1 1 ARG HB3 H -0.006 -8.519 1.322 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HB3 . . . . . . . . . c34016_5lff 1 . 9 . 963 . 1 1 1 ARG HD2 H -2.326 -7.288 2.169 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HD2 . . . . . . . . . c34016_5lff 1 . 9 . 964 . 1 1 1 ARG HD3 H -3.050 -6.165 1.048 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HD3 . . . . . . . . . c34016_5lff 1 . 9 . 965 . 1 1 1 ARG HE H -3.679 -8.471 -0.241 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HE . . . . . . . . . c34016_5lff 1 . 9 . 966 . 1 1 1 ARG HG2 H -0.743 -6.328 0.377 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HG2 . . . . . . . . . c34016_5lff 1 . 9 . 967 . 1 1 1 ARG HG3 H -1.728 -7.078 -0.892 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HG3 . . . . . . . . . c34016_5lff 1 . 9 . 968 . 1 1 1 ARG HH11 H -6.173 -9.926 1.603 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH11 . . . . . . . . . c34016_5lff 1 . 9 . 969 . 1 1 1 ARG HH12 H -5.358 -9.815 -0.006 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH12 . . . . . . . . . c34016_5lff 1 . 9 . 970 . 1 1 1 ARG HH21 H -5.535 -8.770 3.253 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH21 . . . . . . . . . c34016_5lff 1 . 9 . 971 . 1 1 1 ARG HH22 H -4.235 -7.520 3.019 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH22 . . . . . . . . . c34016_5lff 1 . 9 . 972 . 1 1 1 ARG N N 1.251 -9.981 -0.558 . . . 1.0 . . . . . . . . . . . . A . 1 ARG N . . . . . . . . . c34016_5lff 1 . 9 . 973 . 1 1 1 ARG NE N -3.675 -8.127 0.694 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NE . . . . . . . . . c34016_5lff 1 . 9 . 974 . 1 1 1 ARG NH1 N -5.461 -9.555 0.970 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NH1 . . . . . . . . . c34016_5lff 1 . 9 . 975 . 1 1 1 ARG NH2 N -4.843 -8.257 2.704 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NH2 . . . . . . . . . c34016_5lff 1 . 9 . 976 . 1 1 1 ARG O O 2.096 -7.112 0.274 . . . 1.0 . . . . . . . . . . . . A . 1 ARG O . . . . . . . . . c34016_5lff 1 . 9 . 977 . 1 1 2 ALA C C 2.300 -4.469 -1.888 . . . 1.0 . . . . . . . . . . . . A . 2 ALA C . . . . . . . . . c34016_5lff 1 . 9 . 978 . 1 1 2 ALA CA C 2.933 -5.885 -2.163 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CA . . . . . . . . . c34016_5lff 1 . 9 . 979 . 1 1 2 ALA CB C 3.567 -5.964 -3.585 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CB . . . . . . . . . c34016_5lff 1 . 9 . 980 . 1 1 2 ALA H H 1.501 -7.474 -2.799 . . . 1.0 . . . . . . . . . . . . A . 2 ALA H . . . . . . . . . c34016_5lff 1 . 9 . 981 . 1 1 2 ALA HA H 3.754 -6.042 -1.407 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HA . . . . . . . . . c34016_5lff 1 . 9 . 982 . 1 1 2 ALA HB1 H 2.821 -5.867 -4.408 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB1 . . . . . . . . . c34016_5lff 1 . 9 . 983 . 1 1 2 ALA HB2 H 4.309 -5.150 -3.736 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB2 . . . . . . . . . c34016_5lff 1 . 9 . 984 . 1 1 2 ALA HB3 H 4.107 -6.909 -3.758 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB3 . . . . . . . . . c34016_5lff 1 . 9 . 985 . 1 1 2 ALA N N 1.985 -7.017 -2.005 . . . 1.0 . . . . . . . . . . . . A . 2 ALA N . . . . . . . . . c34016_5lff 1 . 9 . 986 . 1 1 2 ALA O O 1.827 -3.778 -2.782 . . . 1.0 . . . . . . . . . . . . A . 2 ALA O . . . . . . . . . c34016_5lff 1 . 9 . 987 . 1 1 3 CYS C C 0.022 -2.916 -0.136 . . . 1.0 . . . . . . . . . . . . A . 3 CYS C . . . . . . . . . c34016_5lff 1 . 9 . 988 . 1 1 3 CYS CA C 1.594 -2.910 -0.037 . . . 1.0 . . . . . . . . . . . . A . 3 CYS CA . . . . . . . . . c34016_5lff 1 . 9 . 989 . 1 1 3 CYS CB C 2.331 -1.645 -0.579 . . . 1.0 . . . . . . . . . . . . A . 3 CYS CB . . . . . . . . . c34016_5lff 1 . 9 . 990 . 1 1 3 CYS H H 2.357 -4.965 0.053 . . . 1.0 . . . . . . . . . . . . A . 3 CYS H . . . . . . . . . c34016_5lff 1 . 9 . 991 . 1 1 3 CYS HA H 1.807 -2.979 1.042 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HA . . . . . . . . . c34016_5lff 1 . 9 . 992 . 1 1 3 CYS HB2 H 3.436 -1.783 -0.578 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HB2 . . . . . . . . . c34016_5lff 1 . 9 . 993 . 1 1 3 CYS HB3 H 2.044 -1.451 -1.647 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HB3 . . . . . . . . . c34016_5lff 1 . 9 . 994 . 1 1 3 CYS N N 2.261 -4.138 -0.571 . . . 1.0 . . . . . . . . . . . . A . 3 CYS N . . . . . . . . . c34016_5lff 1 . 9 . 995 . 1 1 3 CYS O O -0.600 -3.775 -0.749 . . . 1.0 . . . . . . . . . . . . A . 3 CYS O . . . . . . . . . c34016_5lff 1 . 9 . 996 . 1 1 3 CYS SG S 1.969 -0.130 0.358 . . . 1.0 . . . . . . . . . . . . A . 3 CYS SG . . . . . . . . . c34016_5lff 1 . 9 . 997 . 1 1 4 ARG C C -1.799 -0.403 -1.217 . . . 1.0 . . . . . . . . . . . . A . 4 ARG C . . . . . . . . . c34016_5lff 1 . 9 . 998 . 1 1 4 ARG CA C -1.947 -1.392 0.014 . . . 1.0 . . . . . . . . . . . . A . 4 ARG CA . . . . . . . . . c34016_5lff 1 . 9 . 999 . 1 1 4 ARG CB C -2.714 -0.676 1.188 . . . 1.0 . . . . . . . . . . . . A . 4 ARG CB . . . . . . . . . c34016_5lff 1 . 9 . 1000 . 1 1 4 ARG CD C -4.066 -0.882 3.455 . . . 1.0 . . . . . . . . . . . . A . 4 ARG CD . . . . . . . . . c34016_5lff 1 . 9 . 1001 . 1 1 4 ARG CG C -3.202 -1.566 2.344 . . . 1.0 . . . . . . . . . . . . A . 4 ARG CG . . . . . . . . . c34016_5lff 1 . 9 . 1002 . 1 1 4 ARG CZ C -6.445 -0.129 3.661 . . . 1.0 . . . . . . . . . . . . A . 4 ARG CZ . . . . . . . . . c34016_5lff 1 . 9 . 1003 . 1 1 4 ARG H H 0.008 -1.278 1.004 . . . 1.0 . . . . . . . . . . . . A . 4 ARG H . . . . . . . . . c34016_5lff 1 . 9 . 1004 . 1 1 4 ARG HA H -2.582 -2.231 -0.318 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HA . . . . . . . . . c34016_5lff 1 . 9 . 1005 . 1 1 4 ARG HB2 H -2.137 0.175 1.576 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HB2 . . . . . . . . . c34016_5lff 1 . 9 . 1006 . 1 1 4 ARG HB3 H -3.606 -0.186 0.755 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HB3 . . . . . . . . . c34016_5lff 1 . 9 . 1007 . 1 1 4 ARG HD2 H -4.064 -1.576 4.305 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HD2 . . . . . . . . . c34016_5lff 1 . 9 . 1008 . 1 1 4 ARG HD3 H -3.597 0.057 3.810 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HD3 . . . . . . . . . c34016_5lff 1 . 9 . 1009 . 1 1 4 ARG HE H -5.711 -0.919 2.016 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HE . . . . . . . . . c34016_5lff 1 . 9 . 1010 . 1 1 4 ARG HG2 H -3.789 -2.422 1.950 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HG2 . . . . . . . . . c34016_5lff 1 . 9 . 1011 . 1 1 4 ARG HG3 H -2.324 -2.031 2.807 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HG3 . . . . . . . . . c34016_5lff 1 . 9 . 1012 . 1 1 4 ARG HH11 H -8.378 0.405 3.590 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HH11 . . . . . . . . . c34016_5lff 1 . 9 . 1013 . 1 1 4 ARG HH12 H -7.592 -0.318 2.065 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HH12 . . . . . . . . . c34016_5lff 1 . 9 . 1014 . 1 1 4 ARG HH21 H -7.163 0.680 5.369 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HH21 . . . . . . . . . c34016_5lff 1 . 9 . 1015 . 1 1 4 ARG HH22 H -5.412 0.181 5.270 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HH22 . . . . . . . . . c34016_5lff 1 . 9 . 1016 . 1 1 4 ARG N N -0.607 -1.890 0.455 . . . 1.0 . . . . . . . . . . . . A . 4 ARG N . . . . . . . . . c34016_5lff 1 . 9 . 1017 . 1 1 4 ARG NE N -5.450 -0.664 2.971 . . . 1.0 . . . . . . . . . . . . A . 4 ARG NE . . . . . . . . . c34016_5lff 1 . 9 . 1018 . 1 1 4 ARG NH1 N -7.611 -0.026 3.049 . . . 1.0 . . . . . . . . . . . . A . 4 ARG NH1 . . . . . . . . . c34016_5lff 1 . 9 . 1019 . 1 1 4 ARG NH2 N -6.334 0.283 4.881 . . . 1.0 . . . . . . . . . . . . A . 4 ARG NH2 . . . . . . . . . c34016_5lff 1 . 9 . 1020 . 1 1 4 ARG O O -2.381 -0.630 -2.271 . . . 1.0 . . . . . . . . . . . . A . 4 ARG O . . . . . . . . . c34016_5lff 1 . 9 . 1021 . 1 1 5 PHE C C 0.583 2.418 -1.949 . . . 1.0 . . . . . . . . . . . . A . 5 PHE C . . . . . . . . . c34016_5lff 1 . 9 . 1022 . 1 1 5 PHE CA C -0.770 1.680 -2.176 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CA . . . . . . . . . c34016_5lff 1 . 9 . 1023 . 1 1 5 PHE CB C -1.995 2.540 -2.601 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CB . . . . . . . . . c34016_5lff 1 . 9 . 1024 . 1 1 5 PHE CD1 C -3.489 2.999 -0.595 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CD1 . . . . . . . . . c34016_5lff 1 . 9 . 1025 . 1 1 5 PHE CD2 C -2.140 4.793 -1.407 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CD2 . . . . . . . . . c34016_5lff 1 . 9 . 1026 . 1 1 5 PHE CE1 C -3.982 3.820 0.437 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CE1 . . . . . . . . . c34016_5lff 1 . 9 . 1027 . 1 1 5 PHE CE2 C -2.621 5.627 -0.382 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CE2 . . . . . . . . . c34016_5lff 1 . 9 . 1028 . 1 1 5 PHE CG C -2.603 3.481 -1.528 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CG . . . . . . . . . c34016_5lff 1 . 9 . 1029 . 1 1 5 PHE CZ C -3.553 5.129 0.538 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CZ . . . . . . . . . c34016_5lff 1 . 9 . 1030 . 1 1 5 PHE H H -0.591 0.758 -0.166 . . . 1.0 . . . . . . . . . . . . A . 5 PHE H . . . . . . . . . c34016_5lff 1 . 9 . 1031 . 1 1 5 PHE HA H -0.546 1.059 -3.071 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HA . . . . . . . . . c34016_5lff 1 . 9 . 1032 . 1 1 5 PHE HB2 H -1.725 3.116 -3.516 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HB2 . . . . . . . . . c34016_5lff 1 . 9 . 1033 . 1 1 5 PHE HB3 H -2.808 1.858 -2.965 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HB3 . . . . . . . . . c34016_5lff 1 . 9 . 1034 . 1 1 5 PHE HD1 H -3.777 1.950 -0.617 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HD1 . . . . . . . . . c34016_5lff 1 . 9 . 1035 . 1 1 5 PHE HD2 H -1.399 5.156 -2.084 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HD2 . . . . . . . . . c34016_5lff 1 . 9 . 1036 . 1 1 5 PHE HE1 H -4.654 3.424 1.185 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HE1 . . . . . . . . . c34016_5lff 1 . 9 . 1037 . 1 1 5 PHE HE2 H -2.252 6.659 -0.322 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HE2 . . . . . . . . . c34016_5lff 1 . 9 . 1038 . 1 1 5 PHE HZ H -4.003 5.767 1.274 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HZ . . . . . . . . . c34016_5lff 1 . 9 . 1039 . 1 1 5 PHE N N -1.069 0.726 -1.062 . . . 1.0 . . . . . . . . . . . . A . 5 PHE N . . . . . . . . . c34016_5lff 1 . 9 . 1040 . 1 1 5 PHE O O 1.508 2.220 -2.727 . . . 1.0 . . . . . . . . . . . . A . 5 PHE O . . . . . . . . . c34016_5lff 1 . 9 . 1041 . 1 1 6 PHE C C 2.476 3.261 0.908 . . . 1.0 . . . . . . . . . . . . A . 6 PHE C . . . . . . . . . c34016_5lff 1 . 9 . 1042 . 1 1 6 PHE CA C 1.928 3.873 -0.428 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CA . . . . . . . . . c34016_5lff 1 . 9 . 1043 . 1 1 6 PHE CB C 1.674 5.399 -0.338 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CB . . . . . . . . . c34016_5lff 1 . 9 . 1044 . 1 1 6 PHE CD1 C 3.698 6.579 -1.345 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CD1 . . . . . . . . . c34016_5lff 1 . 9 . 1045 . 1 1 6 PHE CD2 C 3.471 6.618 1.067 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CD2 . . . . . . . . . c34016_5lff 1 . 9 . 1046 . 1 1 6 PHE CE1 C 4.928 7.233 -1.235 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CE1 . . . . . . . . . c34016_5lff 1 . 9 . 1047 . 1 1 6 PHE CE2 C 4.713 7.254 1.169 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CE2 . . . . . . . . . c34016_5lff 1 . 9 . 1048 . 1 1 6 PHE CG C 2.982 6.222 -0.198 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CG . . . . . . . . . c34016_5lff 1 . 9 . 1049 . 1 1 6 PHE CZ C 5.417 7.564 0.021 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CZ . . . . . . . . . c34016_5lff 1 . 9 . 1050 . 1 1 6 PHE H H -0.162 3.162 -0.272 . . . 1.0 . . . . . . . . . . . . A . 6 PHE H . . . . . . . . . c34016_5lff 1 . 9 . 1051 . 1 1 6 PHE HA H 2.696 3.731 -1.236 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HA . . . . . . . . . c34016_5lff 1 . 9 . 1052 . 1 1 6 PHE HB2 H 1.106 5.737 -1.230 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HB2 . . . . . . . . . c34016_5lff 1 . 9 . 1053 . 1 1 6 PHE HB3 H 0.992 5.645 0.500 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HB3 . . . . . . . . . c34016_5lff 1 . 9 . 1054 . 1 1 6 PHE HD1 H 3.353 6.231 -2.335 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HD1 . . . . . . . . . c34016_5lff 1 . 9 . 1055 . 1 1 6 PHE HD2 H 2.926 6.421 1.965 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HD2 . . . . . . . . . c34016_5lff 1 . 9 . 1056 . 1 1 6 PHE HE1 H 5.464 7.480 -2.130 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HE1 . . . . . . . . . c34016_5lff 1 . 9 . 1057 . 1 1 6 PHE HE2 H 5.057 7.613 2.149 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HE2 . . . . . . . . . c34016_5lff 1 . 9 . 1058 . 1 1 6 PHE HZ H 6.343 8.066 0.104 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HZ . . . . . . . . . c34016_5lff 1 . 9 . 1059 . 1 1 6 PHE N N 0.687 3.188 -0.844 . . . 1.0 . . . . . . . . . . . . A . 6 PHE N . . . . . . . . . c34016_5lff 1 . 9 . 1060 . 1 1 6 PHE O O 1.823 3.378 1.958 . . . 1.0 . . . . . . . . . . . . A . 6 PHE O . . . . . . . . . c34016_5lff 1 . 9 . 1061 . 1 1 7 CYS C C 5.776 2.882 2.037 . . . 1.0 . . . . . . . . . . . . A . 7 CYS C . . . . . . . . . c34016_5lff 1 . 9 . 1062 . 1 1 7 CYS CA C 4.418 2.155 1.999 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CA . . . . . . . . . c34016_5lff 1 . 9 . 1063 . 1 1 7 CYS CB C 4.540 0.619 1.819 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CB . . . . . . . . . c34016_5lff 1 . 9 . 1064 . 1 1 7 CYS H H 4.028 2.536 -0.138 . . . 1.0 . . . . . . . . . . . . A . 7 CYS H . . . . . . . . . c34016_5lff 1 . 9 . 1065 . 1 1 7 CYS HA H 3.816 2.296 2.957 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HA . . . . . . . . . c34016_5lff 1 . 9 . 1066 . 1 1 7 CYS HB2 H 5.005 0.354 0.854 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB2 . . . . . . . . . c34016_5lff 1 . 9 . 1067 . 1 1 7 CYS HB3 H 5.248 0.224 2.579 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB3 . . . . . . . . . c34016_5lff 1 . 9 . 1068 . 1 1 7 CYS N N 3.665 2.637 0.815 . . . 1.0 . . . . . . . . . . . . A . 7 CYS N . . . . . . . . . c34016_5lff 1 . 9 . 1069 . 1 1 7 CYS O O 5.807 4.198 1.716 . . . 1.0 . . . . . . . . . . . . A . 7 CYS O . . . . . . . . . c34016_5lff 1 . 9 . 1070 . 1 1 7 CYS OXT O 6.840 2.330 2.345 . . . 1.0 . . . . . . . . . . . . A . 7 CYS OXT . . . . . . . . . c34016_5lff 1 . 9 . 1071 . 1 1 7 CYS SG S 2.939 -0.214 2.058 . . . 1.0 . . . . . . . . . . . . A . 7 CYS SG . . . . . . . . . c34016_5lff 1 . 10 . 1072 . 1 1 1 ARG C C 1.966 -7.659 -0.834 . . . 1.0 . . . . . . . . . . . . A . 1 ARG C . . . . . . . . . c34016_5lff 1 . 10 . 1073 . 1 1 1 ARG CA C 1.008 -8.900 -0.676 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CA . . . . . . . . . c34016_5lff 1 . 10 . 1074 . 1 1 1 ARG CB C -0.146 -8.623 0.321 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CB . . . . . . . . . c34016_5lff 1 . 10 . 1075 . 1 1 1 ARG CD C -2.376 -7.296 0.849 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CD . . . . . . . . . c34016_5lff 1 . 10 . 1076 . 1 1 1 ARG CG C -1.230 -7.600 -0.146 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CG . . . . . . . . . c34016_5lff 1 . 10 . 1077 . 1 1 1 ARG CZ C -4.400 -8.573 1.605 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CZ . . . . . . . . . c34016_5lff 1 . 10 . 1078 . 1 1 1 ARG H2 H 2.570 -10.313 -0.765 . . . 1.0 . . . . . . . . . . . . A . 1 ARG H2 . . . . . . . . . c34016_5lff 1 . 10 . 1079 . 1 1 1 ARG HA H 0.588 -9.196 -1.645 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HA . . . . . . . . . c34016_5lff 1 . 10 . 1080 . 1 1 1 ARG HB2 H -0.662 -9.586 0.530 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HB2 . . . . . . . . . c34016_5lff 1 . 10 . 1081 . 1 1 1 ARG HB3 H 0.248 -8.332 1.326 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HB3 . . . . . . . . . c34016_5lff 1 . 10 . 1082 . 1 1 1 ARG HD2 H -1.980 -7.114 1.874 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HD2 . . . . . . . . . c34016_5lff 1 . 10 . 1083 . 1 1 1 ARG HD3 H -2.922 -6.352 0.512 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HD3 . . . . . . . . . c34016_5lff 1 . 10 . 1084 . 1 1 1 ARG HE H -3.131 -9.311 0.258 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HE . . . . . . . . . c34016_5lff 1 . 10 . 1085 . 1 1 1 ARG HG2 H -0.710 -6.643 -0.358 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HG2 . . . . . . . . . c34016_5lff 1 . 10 . 1086 . 1 1 1 ARG HG3 H -1.643 -7.906 -1.155 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HG3 . . . . . . . . . c34016_5lff 1 . 10 . 1087 . 1 1 1 ARG HH11 H -5.943 -9.719 2.067 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH11 . . . . . . . . . c34016_5lff 1 . 10 . 1088 . 1 1 1 ARG HH12 H -4.824 -10.316 0.730 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH12 . . . . . . . . . c34016_5lff 1 . 10 . 1089 . 1 1 1 ARG HH21 H -5.682 -7.789 2.902 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH21 . . . . . . . . . c34016_5lff 1 . 10 . 1090 . 1 1 1 ARG HH22 H -4.227 -6.803 2.426 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH22 . . . . . . . . . c34016_5lff 1 . 10 . 1091 . 1 1 1 ARG N N 1.741 -10.104 -0.192 . . . 1.0 . . . . . . . . . . . . A . 1 ARG N . . . . . . . . . c34016_5lff 1 . 10 . 1092 . 1 1 1 ARG NE N -3.298 -8.455 0.850 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NE . . . . . . . . . c34016_5lff 1 . 10 . 1093 . 1 1 1 ARG NH1 N -5.100 -9.668 1.481 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NH1 . . . . . . . . . c34016_5lff 1 . 10 . 1094 . 1 1 1 ARG NH2 N -4.795 -7.651 2.423 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NH2 . . . . . . . . . c34016_5lff 1 . 10 . 1095 . 1 1 1 ARG O O 2.569 -7.177 0.110 . . . 1.0 . . . . . . . . . . . . A . 1 ARG O . . . . . . . . . c34016_5lff 1 . 10 . 1096 . 1 1 2 ALA C C 2.051 -4.485 -2.023 . . . 1.0 . . . . . . . . . . . . A . 2 ALA C . . . . . . . . . c34016_5lff 1 . 10 . 1097 . 1 1 2 ALA CA C 2.815 -5.836 -2.338 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CA . . . . . . . . . c34016_5lff 1 . 10 . 1098 . 1 1 2 ALA CB C 3.297 -5.971 -3.798 . . . 1.0 . . . . . . . . . . . . A . 2 ALA CB . . . . . . . . . c34016_5lff 1 . 10 . 1099 . 1 1 2 ALA H H 1.492 -7.591 -2.745 . . . 1.0 . . . . . . . . . . . . A . 2 ALA H . . . . . . . . . c34016_5lff 1 . 10 . 1100 . 1 1 2 ALA HA H 3.773 -5.838 -1.722 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HA . . . . . . . . . c34016_5lff 1 . 10 . 1101 . 1 1 2 ALA HB1 H 2.447 -5.985 -4.528 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB1 . . . . . . . . . c34016_5lff 1 . 10 . 1102 . 1 1 2 ALA HB2 H 3.928 -5.127 -4.084 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB2 . . . . . . . . . c34016_5lff 1 . 10 . 1103 . 1 1 2 ALA HB3 H 3.907 -6.852 -3.997 . . . 1.0 . . . . . . . . . . . . A . 2 ALA HB3 . . . . . . . . . c34016_5lff 1 . 10 . 1104 . 1 1 2 ALA N N 2.016 -7.078 -2.047 . . . 1.0 . . . . . . . . . . . . A . 2 ALA N . . . . . . . . . c34016_5lff 1 . 10 . 1105 . 1 1 2 ALA O O 1.663 -3.763 -2.929 . . . 1.0 . . . . . . . . . . . . A . 2 ALA O . . . . . . . . . c34016_5lff 1 . 10 . 1106 . 1 1 3 CYS C C -0.190 -2.731 -0.283 . . . 1.0 . . . . . . . . . . . . A . 3 CYS C . . . . . . . . . c34016_5lff 1 . 10 . 1107 . 1 1 3 CYS CA C 1.375 -2.932 -0.158 . . . 1.0 . . . . . . . . . . . . A . 3 CYS CA . . . . . . . . . c34016_5lff 1 . 10 . 1108 . 1 1 3 CYS CB C 2.241 -1.714 -0.631 . . . 1.0 . . . . . . . . . . . . A . 3 CYS CB . . . . . . . . . c34016_5lff 1 . 10 . 1109 . 1 1 3 CYS H H 2.271 -4.932 -0.105 . . . 1.0 . . . . . . . . . . . . A . 3 CYS H . . . . . . . . . c34016_5lff 1 . 10 . 1110 . 1 1 3 CYS HA H 1.614 -3.029 0.912 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HA . . . . . . . . . c34016_5lff 1 . 10 . 1111 . 1 1 3 CYS HB2 H 3.316 -1.921 -0.505 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HB2 . . . . . . . . . c34016_5lff 1 . 10 . 1112 . 1 1 3 CYS HB3 H 2.114 -1.479 -1.705 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HB3 . . . . . . . . . c34016_5lff 1 . 10 . 1113 . 1 1 3 CYS N N 1.933 -4.188 -0.713 . . . 1.0 . . . . . . . . . . . . A . 3 CYS N . . . . . . . . . c34016_5lff 1 . 10 . 1114 . 1 1 3 CYS O O -0.887 -3.381 -1.102 . . . 1.0 . . . . . . . . . . . . A . 3 CYS O . . . . . . . . . c34016_5lff 1 . 10 . 1115 . 1 1 3 CYS SG S 1.899 -0.258 0.370 . . . 1.0 . . . . . . . . . . . . A . 3 CYS SG . . . . . . . . . c34016_5lff 1 . 10 . 1116 . 1 1 4 ARG C C -1.942 -0.149 -1.068 . . . 1.0 . . . . . . . . . . . . A . 4 ARG C . . . . . . . . . c34016_5lff 1 . 10 . 1117 . 1 1 4 ARG CA C -2.054 -1.131 0.178 . . . 1.0 . . . . . . . . . . . . A . 4 ARG CA . . . . . . . . . c34016_5lff 1 . 10 . 1118 . 1 1 4 ARG CB C -2.642 -0.396 1.429 . . . 1.0 . . . . . . . . . . . . A . 4 ARG CB . . . . . . . . . c34016_5lff 1 . 10 . 1119 . 1 1 4 ARG CD C -3.680 -0.456 3.767 . . . 1.0 . . . . . . . . . . . . A . 4 ARG CD . . . . . . . . . c34016_5lff 1 . 10 . 1120 . 1 1 4 ARG CG C -3.133 -1.308 2.585 . . . 1.0 . . . . . . . . . . . . A . 4 ARG CG . . . . . . . . . c34016_5lff 1 . 10 . 1121 . 1 1 4 ARG CZ C -5.606 1.101 4.198 . . . 1.0 . . . . . . . . . . . . A . 4 ARG CZ . . . . . . . . . c34016_5lff 1 . 10 . 1122 . 1 1 4 ARG H H -0.071 -1.346 1.139 . . . 1.0 . . . . . . . . . . . . A . 4 ARG H . . . . . . . . . c34016_5lff 1 . 10 . 1123 . 1 1 4 ARG HA H -2.767 -1.917 -0.104 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HA . . . . . . . . . c34016_5lff 1 . 10 . 1124 . 1 1 4 ARG HB2 H -1.955 0.391 1.806 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HB2 . . . . . . . . . c34016_5lff 1 . 10 . 1125 . 1 1 4 ARG HB3 H -3.532 0.155 1.084 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HB3 . . . . . . . . . c34016_5lff 1 . 10 . 1126 . 1 1 4 ARG HD2 H -3.806 -1.110 4.622 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HD2 . . . . . . . . . c34016_5lff 1 . 10 . 1127 . 1 1 4 ARG HD3 H -2.894 0.282 4.046 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HD3 . . . . . . . . . c34016_5lff 1 . 10 . 1128 . 1 1 4 ARG HE H -5.532 -0.108 2.634 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HE . . . . . . . . . c34016_5lff 1 . 10 . 1129 . 1 1 4 ARG HG2 H -3.904 -2.017 2.255 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HG2 . . . . . . . . . c34016_5lff 1 . 10 . 1130 . 1 1 4 ARG HG3 H -2.293 -1.957 2.910 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HG3 . . . . . . . . . c34016_5lff 1 . 10 . 1131 . 1 1 4 ARG HH11 H -7.276 2.221 4.397 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HH11 . . . . . . . . . c34016_5lff 1 . 10 . 1132 . 1 1 4 ARG HH12 H -7.143 1.125 2.951 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HH12 . . . . . . . . . c34016_5lff 1 . 10 . 1133 . 1 1 4 ARG HH21 H -5.678 2.286 5.812 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HH21 . . . . . . . . . c34016_5lff 1 . 10 . 1134 . 1 1 4 ARG HH22 H -4.193 1.284 5.578 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HH22 . . . . . . . . . c34016_5lff 1 . 10 . 1135 . 1 1 4 ARG N N -0.747 -1.774 0.507 . . . 1.0 . . . . . . . . . . . . A . 4 ARG N . . . . . . . . . c34016_5lff 1 . 10 . 1136 . 1 1 4 ARG NE N -4.980 0.200 3.436 . . . 1.0 . . . . . . . . . . . . A . 4 ARG NE . . . . . . . . . c34016_5lff 1 . 10 . 1137 . 1 1 4 ARG NH1 N -6.779 1.524 3.822 . . . 1.0 . . . . . . . . . . . . A . 4 ARG NH1 . . . . . . . . . c34016_5lff 1 . 10 . 1138 . 1 1 4 ARG NH2 N -5.131 1.594 5.337 . . . 1.0 . . . . . . . . . . . . A . 4 ARG NH2 . . . . . . . . . c34016_5lff 1 . 10 . 1139 . 1 1 4 ARG O O -2.611 -0.407 -2.081 . . . 1.0 . . . . . . . . . . . . A . 4 ARG O . . . . . . . . . c34016_5lff 1 . 10 . 1140 . 1 1 5 PHE C C 0.663 2.436 -1.957 . . . 1.0 . . . . . . . . . . . . A . 5 PHE C . . . . . . . . . c34016_5lff 1 . 10 . 1141 . 1 1 5 PHE CA C -0.798 1.849 -2.135 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CA . . . . . . . . . c34016_5lff 1 . 10 . 1142 . 1 1 5 PHE CB C -1.960 2.893 -2.397 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CB . . . . . . . . . c34016_5lff 1 . 10 . 1143 . 1 1 5 PHE CD1 C -3.012 3.587 -0.166 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CD1 . . . . . . . . . c34016_5lff 1 . 10 . 1144 . 1 1 5 PHE CD2 C -2.009 5.312 -1.514 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CD2 . . . . . . . . . c34016_5lff 1 . 10 . 1145 . 1 1 5 PHE CE1 C -3.322 4.549 0.806 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CE1 . . . . . . . . . c34016_5lff 1 . 10 . 1146 . 1 1 5 PHE CE2 C -2.326 6.265 -0.554 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CE2 . . . . . . . . . c34016_5lff 1 . 10 . 1147 . 1 1 5 PHE CG C -2.315 3.954 -1.315 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CG . . . . . . . . . c34016_5lff 1 . 10 . 1148 . 1 1 5 PHE CZ C -2.990 5.882 0.607 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CZ . . . . . . . . . c34016_5lff 1 . 10 . 1149 . 1 1 5 PHE H H -0.496 0.846 -0.169 . . . 1.0 . . . . . . . . . . . . A . 5 PHE H . . . . . . . . . c34016_5lff 1 . 10 . 1150 . 1 1 5 PHE HA H -0.690 1.199 -3.023 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HA . . . . . . . . . c34016_5lff 1 . 10 . 1151 . 1 1 5 PHE HB2 H -1.723 3.434 -3.346 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HB2 . . . . . . . . . c34016_5lff 1 . 10 . 1152 . 1 1 5 PHE HB3 H -2.890 2.354 -2.683 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HB3 . . . . . . . . . c34016_5lff 1 . 10 . 1153 . 1 1 5 PHE HD1 H -3.235 2.552 0.018 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HD1 . . . . . . . . . c34016_5lff 1 . 10 . 1154 . 1 1 5 PHE HD2 H -1.497 5.630 -2.416 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HD2 . . . . . . . . . c34016_5lff 1 . 10 . 1155 . 1 1 5 PHE HE1 H -3.877 4.282 1.714 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HE1 . . . . . . . . . c34016_5lff 1 . 10 . 1156 . 1 1 5 PHE HE2 H -2.158 7.334 -0.735 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HE2 . . . . . . . . . c34016_5lff 1 . 10 . 1157 . 1 1 5 PHE HZ H -3.308 6.625 1.321 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HZ . . . . . . . . . c34016_5lff 1 . 10 . 1158 . 1 1 5 PHE N N -1.097 0.915 -0.996 . . . 1.0 . . . . . . . . . . . . A . 5 PHE N . . . . . . . . . c34016_5lff 1 . 10 . 1159 . 1 1 5 PHE O O 1.553 1.994 -2.695 . . . 1.0 . . . . . . . . . . . . A . 5 PHE O . . . . . . . . . c34016_5lff 1 . 10 . 1160 . 1 1 6 PHE C C 2.599 3.227 0.813 . . . 1.0 . . . . . . . . . . . . A . 6 PHE C . . . . . . . . . c34016_5lff 1 . 10 . 1161 . 1 1 6 PHE CA C 2.224 3.781 -0.584 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CA . . . . . . . . . c34016_5lff 1 . 10 . 1162 . 1 1 6 PHE CB C 2.163 5.334 -0.690 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CB . . . . . . . . . c34016_5lff 1 . 10 . 1163 . 1 1 6 PHE CD1 C 4.446 6.239 -1.406 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CD1 . . . . . . . . . c34016_5lff 1 . 10 . 1164 . 1 1 6 PHE CD2 C 3.662 6.700 0.836 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CD2 . . . . . . . . . c34016_5lff 1 . 10 . 1165 . 1 1 6 PHE CE1 C 5.641 6.914 -1.114 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CE1 . . . . . . . . . c34016_5lff 1 . 10 . 1166 . 1 1 6 PHE CE2 C 4.836 7.400 1.118 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CE2 . . . . . . . . . c34016_5lff 1 . 10 . 1167 . 1 1 6 PHE CG C 3.457 6.108 -0.414 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CG . . . . . . . . . c34016_5lff 1 . 10 . 1168 . 1 1 6 PHE CZ C 5.833 7.482 0.158 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CZ . . . . . . . . . c34016_5lff 1 . 10 . 1169 . 1 1 6 PHE H H 0.022 3.647 -0.495 . . . 1.0 . . . . . . . . . . . . A . 6 PHE H . . . . . . . . . c34016_5lff 1 . 10 . 1170 . 1 1 6 PHE HA H 2.982 3.481 -1.342 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HA . . . . . . . . . c34016_5lff 1 . 10 . 1171 . 1 1 6 PHE HB2 H 1.797 5.642 -1.710 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HB2 . . . . . . . . . c34016_5lff 1 . 10 . 1172 . 1 1 6 PHE HB3 H 1.359 5.682 0.007 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HB3 . . . . . . . . . c34016_5lff 1 . 10 . 1173 . 1 1 6 PHE HD1 H 4.337 5.764 -2.390 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HD1 . . . . . . . . . c34016_5lff 1 . 10 . 1174 . 1 1 6 PHE HD2 H 2.916 6.610 1.617 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HD2 . . . . . . . . . c34016_5lff 1 . 10 . 1175 . 1 1 6 PHE HE1 H 6.442 6.879 -1.857 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HE1 . . . . . . . . . c34016_5lff 1 . 10 . 1176 . 1 1 6 PHE HE2 H 4.985 7.869 2.079 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HE2 . . . . . . . . . c34016_5lff 1 . 10 . 1177 . 1 1 6 PHE HZ H 6.748 7.977 0.360 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HZ . . . . . . . . . c34016_5lff 1 . 10 . 1178 . 1 1 6 PHE N N 0.870 3.322 -0.981 . . . 1.0 . . . . . . . . . . . . A . 6 PHE N . . . . . . . . . c34016_5lff 1 . 10 . 1179 . 1 1 6 PHE O O 2.050 3.589 1.856 . . . 1.0 . . . . . . . . . . . . A . 6 PHE O . . . . . . . . . c34016_5lff 1 . 10 . 1180 . 1 1 7 CYS C C 5.581 2.765 2.268 . . . 1.0 . . . . . . . . . . . . A . 7 CYS C . . . . . . . . . c34016_5lff 1 . 10 . 1181 . 1 1 7 CYS CA C 4.289 1.918 2.049 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CA . . . . . . . . . c34016_5lff 1 . 10 . 1182 . 1 1 7 CYS CB C 4.475 0.399 2.032 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CB . . . . . . . . . c34016_5lff 1 . 10 . 1183 . 1 1 7 CYS H H 3.926 2.061 -0.120 . . . 1.0 . . . . . . . . . . . . A . 7 CYS H . . . . . . . . . c34016_5lff 1 . 10 . 1184 . 1 1 7 CYS HA H 3.677 2.196 2.931 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HA . . . . . . . . . c34016_5lff 1 . 10 . 1185 . 1 1 7 CYS HB2 H 4.982 0.016 1.122 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB2 . . . . . . . . . c34016_5lff 1 . 10 . 1186 . 1 1 7 CYS HB3 H 5.100 0.056 2.871 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB3 . . . . . . . . . c34016_5lff 1 . 10 . 1187 . 1 1 7 CYS N N 3.620 2.359 0.813 . . . 1.0 . . . . . . . . . . . . A . 7 CYS N . . . . . . . . . c34016_5lff 1 . 10 . 1188 . 1 1 7 CYS O O 5.468 4.042 2.707 . . . 1.0 . . . . . . . . . . . . A . 7 CYS O . . . . . . . . . c34016_5lff 1 . 10 . 1189 . 1 1 7 CYS OXT O 6.704 2.299 2.051 . . . 1.0 . . . . . . . . . . . . A . 7 CYS OXT . . . . . . . . . c34016_5lff 1 . 10 . 1190 . 1 1 7 CYS SG S 2.849 -0.374 2.134 . . . 1.0 . . . . . . . . . . . . A . 7 CYS SG . . . . . . . . . c34016_5lff 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 c34016_5lff _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 5lff.mr . . 'MR format' 1 comment 'Not applicable' 'Not applicable' 0 c34016_5lff 1 1 5lff.mr . . DYANA/DIANA 2 distance NOE simple 94 c34016_5lff 1 1 5lff.mr . . 'MR format' 3 'nomenclature mapping' 'Not applicable' 'Not applicable' 0 c34016_5lff 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 c34016_5lff _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 . . . . c34016_5lff 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 ARG HA H . . . 1 1 1 1 ARG HB2 H . . . . . . . 2.92 . . . . . A . 1 ARG HA . . A . 1 ARG HB2 . . . 1 ARG+ HA . . . . . 1 ARG+ HB2 . . c34016_5lff 1 2 1 . . 1 1 1 1 ARG HA H . . . 1 1 1 1 ARG HB3 H . . . . . . . 2.92 . . . . . A . 1 ARG HA . . A . 1 ARG HB3 . . . 1 ARG+ HA . . . . . 1 ARG+ HB3 . . c34016_5lff 1 3 1 . . 1 1 1 1 ARG HA H . . . 1 1 2 2 ALA H H . . . . . . . 2.56 . . . . . A . 1 ARG HA . . A . 2 ALA H . . . 1 ARG+ HA . . . . . 2 ALA HN . . c34016_5lff 1 4 1 . . 1 1 1 1 ARG HA H . . . 1 1 2 2 ALA MB H . . . . . . . 6.03 . . . . . A . 1 ARG HA . . A . 2 ALA MB . . . 1 ARG+ HA . . . . . 2 ALA QB . . c34016_5lff 1 5 1 . . 1 1 1 1 ARG HA H . . . 1 1 3 3 CYS H H . . . . . . . 4.60 . . . . . A . 1 ARG HA . . A . 3 CYS H . . . 1 ARG+ HA . . . . . 3 CYSS HN . . c34016_5lff 1 6 1 . . 1 1 1 1 ARG HE H . . . 1 1 1 1 ARG HB2 H . . . . . . . 5.00 . . . . . A . 1 ARG HE . . A . 1 ARG HB2 . . . 1 ARG+ HE . . . . . 1 ARG+ HB2 . . c34016_5lff 1 7 1 . . 1 1 2 2 ALA H H . . . 1 1 1 1 ARG HB2 H . . . . . . . 3.48 . . . . . A . 2 ALA H . . A . 1 ARG HB2 . . . 2 ALA HN . . . . . 1 ARG+ HB2 . . c34016_5lff 1 8 1 . . 1 1 3 3 CYS H H . . . 1 1 1 1 ARG HB2 H . . . . . . . 4.36 . . . . . A . 3 CYS H . . A . 1 ARG HB2 . . . 3 CYSS HN . . . . . 1 ARG+ HB2 . . c34016_5lff 1 9 1 . . 1 1 1 1 ARG HE H . . . 1 1 1 1 ARG HB3 H . . . . . . . 5.00 . . . . . A . 1 ARG HE . . A . 1 ARG HB3 . . . 1 ARG+ HE . . . . . 1 ARG+ HB3 . . c34016_5lff 1 10 1 . . 1 1 2 2 ALA H H . . . 1 1 1 1 ARG HB3 H . . . . . . . 3.48 . . . . . A . 2 ALA H . . A . 1 ARG HB3 . . . 2 ALA HN . . . . . 1 ARG+ HB3 . . c34016_5lff 1 11 1 . . 1 1 3 3 CYS H H . . . 1 1 1 1 ARG HB3 H . . . . . . . 4.36 . . . . . A . 3 CYS H . . A . 1 ARG HB3 . . . 3 CYSS HN . . . . . 1 ARG+ HB3 . . c34016_5lff 1 12 1 OR . 1 1 2 2 ALA H H . . . 1 1 1 1 ARG HB3 H . . . . . . . 2.91 . . . . . A . 2 ALA H . . A . 1 ARG HB3 . . . 2 ALA HN . . . . . 1 ARG+ QB . . c34016_5lff 1 12 2 OR . 1 1 2 2 ALA H H . . . 1 1 1 1 ARG HB2 H . . . . . . . 2.91 . . . . . A . 2 ALA H . . A . 1 ARG HB2 . . . 2 ALA HN . . . . . 1 ARG+ QB . . c34016_5lff 1 13 1 OR . 1 1 3 3 CYS H H . . . 1 1 1 1 ARG HB3 H . . . . . . . 3.83 . . . . . A . 3 CYS H . . A . 1 ARG HB3 . . . 3 CYSS HN . . . . . 1 ARG+ QB . . c34016_5lff 1 13 2 OR . 1 1 3 3 CYS H H . . . 1 1 1 1 ARG HB2 H . . . . . . . 3.83 . . . . . A . 3 CYS H . . A . 1 ARG HB2 . . . 3 CYSS HN . . . . . 1 ARG+ QB . . c34016_5lff 1 14 1 . . 1 1 2 2 ALA H H . . . 1 1 1 1 ARG HG2 H . . . . . . . 5.00 . . . . . A . 2 ALA H . . A . 1 ARG HG2 . . . 2 ALA HN . . . . . 1 ARG+ HG2 . . c34016_5lff 1 15 1 . . 1 1 3 3 CYS H H . . . 1 1 1 1 ARG HG2 H . . . . . . . 5.00 . . . . . A . 3 CYS H . . A . 1 ARG HG2 . . . 3 CYSS HN . . . . . 1 ARG+ HG2 . . c34016_5lff 1 16 1 . . 1 1 2 2 ALA H H . . . 1 1 1 1 ARG HG3 H . . . . . . . 5.00 . . . . . A . 2 ALA H . . A . 1 ARG HG3 . . . 2 ALA HN . . . . . 1 ARG+ HG3 . . c34016_5lff 1 17 1 . . 1 1 3 3 CYS H H . . . 1 1 1 1 ARG HG3 H . . . . . . . 5.00 . . . . . A . 3 CYS H . . A . 1 ARG HG3 . . . 3 CYSS HN . . . . . 1 ARG+ HG3 . . c34016_5lff 1 18 1 OR . 1 1 3 3 CYS HA H . . . 1 1 1 1 ARG HG3 H . . . . . . . 4.87 . . . . . A . 3 CYS HA . . A . 1 ARG HG3 . . . 3 CYSS HA . . . . . 1 ARG+ QG . . c34016_5lff 1 18 2 OR . 1 1 1 1 ARG HG2 H . . . 1 1 3 3 CYS HA H . . . . . . . 4.87 . . . . . A . 1 ARG HG2 . . A . 3 CYS HA . . . 1 ARG+ QG . . . . . 3 CYSS HA . . c34016_5lff 1 19 1 OR . 1 1 2 2 ALA H H . . . 1 1 1 1 ARG HD2 H . . . . . . . 5.88 . . . . . A . 2 ALA H . . A . 1 ARG HD2 . . . 2 ALA HN . . . . . 1 ARG+ QD . . c34016_5lff 1 19 2 OR . 1 1 2 2 ALA H H . . . 1 1 1 1 ARG HD3 H . . . . . . . 5.88 . . . . . A . 2 ALA H . . A . 1 ARG HD3 . . . 2 ALA HN . . . . . 1 ARG+ QD . . c34016_5lff 1 20 1 . . 1 1 2 2 ALA H H . . . 1 1 3 3 CYS H H . . . . . . . 3.32 . . . . . A . 2 ALA H . . A . 3 CYS H . . . 2 ALA HN . . . . . 3 CYSS HN . . c34016_5lff 1 21 1 . . 1 1 3 3 CYS H H . . . 1 1 2 2 ALA HA H . . . . . . . 2.60 . . . . . A . 3 CYS H . . A . 2 ALA HA . . . 3 CYSS HN . . . . . 2 ALA HA . . c34016_5lff 1 22 1 . . 1 1 2 2 ALA HA H . . . 1 1 3 3 CYS HB2 H . . . . . . . 4.52 . . . . . A . 2 ALA HA . . A . 3 CYS HB2 . . . 2 ALA HA . . . . . 3 CYSS HB2 . . c34016_5lff 1 23 1 . . 1 1 2 2 ALA HA H . . . 1 1 3 3 CYS HB3 H . . . . . . . 4.52 . . . . . A . 2 ALA HA . . A . 3 CYS HB3 . . . 2 ALA HA . . . . . 3 CYSS HB3 . . c34016_5lff 1 24 1 . . 1 1 2 2 ALA MB H . . . 1 1 3 3 CYS H H . . . . . . . 6.03 . . . . . A . 2 ALA MB . . A . 3 CYS H . . . 2 ALA QB . . . . . 3 CYSS HN . . c34016_5lff 1 25 1 . . 1 1 3 3 CYS H H . . . 1 1 3 3 CYS HA H . . . . . . . 2.68 . . . . . A . 3 CYS H . . A . 3 CYS HA . . . 3 CYSS HN . . . . . 3 CYSS HA . . c34016_5lff 1 26 1 . . 1 1 3 3 CYS H H . . . 1 1 3 3 CYS HB2 H . . . . . . . 3.16 . . . . . A . 3 CYS H . . A . 3 CYS HB2 . . . 3 CYSS HN . . . . . 3 CYSS HB2 . . c34016_5lff 1 27 1 . . 1 1 3 3 CYS H H . . . 1 1 3 3 CYS HB3 H . . . . . . . 3.16 . . . . . A . 3 CYS H . . A . 3 CYS HB3 . . . 3 CYSS HN . . . . . 3 CYSS HB3 . . c34016_5lff 1 28 1 . . 1 1 3 3 CYS HA H . . . 1 1 3 3 CYS HB2 H . . . . . . . 3.00 . . . . . A . 3 CYS HA . . A . 3 CYS HB2 . . . 3 CYSS HA . . . . . 3 CYSS HB2 . . c34016_5lff 1 29 1 . . 1 1 3 3 CYS HA H . . . 1 1 3 3 CYS HB3 H . . . . . . . 3.00 . . . . . A . 3 CYS HA . . A . 3 CYS HB3 . . . 3 CYSS HA . . . . . 3 CYSS HB3 . . c34016_5lff 1 30 1 . . 1 1 3 3 CYS HA H . . . 1 1 4 4 ARG H H . . . . . . . 2.64 . . . . . A . 3 CYS HA . . A . 4 ARG H . . . 3 CYSS HA . . . . . 4 ARG+ HN . . c34016_5lff 1 31 1 . . 1 1 4 4 ARG H H . . . 1 1 3 3 CYS HB2 H . . . . . . . 3.72 . . . . . A . 4 ARG H . . A . 3 CYS HB2 . . . 4 ARG+ HN . . . . . 3 CYSS HB2 . . c34016_5lff 1 32 1 . . 1 1 5 5 PHE H H . . . 1 1 3 3 CYS HB2 H . . . . . . . 4.36 . . . . . A . 5 PHE H . . A . 3 CYS HB2 . . . 5 PHE HN . . . . . 3 CYSS HB2 . . c34016_5lff 1 33 1 . . 1 1 4 4 ARG H H . . . 1 1 3 3 CYS HB3 H . . . . . . . 3.72 . . . . . A . 4 ARG H . . A . 3 CYS HB3 . . . 4 ARG+ HN . . . . . 3 CYSS HB3 . . c34016_5lff 1 34 1 . . 1 1 5 5 PHE H H . . . 1 1 3 3 CYS HB3 H . . . . . . . 4.36 . . . . . A . 5 PHE H . . A . 3 CYS HB3 . . . 5 PHE HN . . . . . 3 CYSS HB3 . . c34016_5lff 1 35 1 OR . 1 1 4 4 ARG H H . . . 1 1 3 3 CYS HB3 H . . . . . . . 3.24 . . . . . A . 4 ARG H . . A . 3 CYS HB3 . . . 4 ARG+ HN . . . . . 3 CYSS QB . . c34016_5lff 1 35 2 OR . 1 1 4 4 ARG H H . . . 1 1 3 3 CYS HB2 H . . . . . . . 3.24 . . . . . A . 4 ARG H . . A . 3 CYS HB2 . . . 4 ARG+ HN . . . . . 3 CYSS QB . . c34016_5lff 1 36 1 OR . 1 1 5 5 PHE H H . . . 1 1 3 3 CYS HB3 H . . . . . . . 3.77 . . . . . A . 5 PHE H . . A . 3 CYS HB3 . . . 5 PHE HN . . . . . 3 CYSS QB . . c34016_5lff 1 36 2 OR . 1 1 5 5 PHE H H . . . 1 1 3 3 CYS HB2 H . . . . . . . 3.77 . . . . . A . 5 PHE H . . A . 3 CYS HB2 . . . 5 PHE HN . . . . . 3 CYSS QB . . c34016_5lff 1 37 1 . . 1 1 4 4 ARG H H . . . 1 1 4 4 ARG HB2 H . . . . . . . 3.20 . . . . . A . 4 ARG H . . A . 4 ARG HB2 . . . 4 ARG+ HN . . . . . 4 ARG+ HB2 . . c34016_5lff 1 38 1 . . 1 1 4 4 ARG H H . . . 1 1 4 4 ARG HB3 H . . . . . . . 3.20 . . . . . A . 4 ARG H . . A . 4 ARG HB3 . . . 4 ARG+ HN . . . . . 4 ARG+ HB3 . . c34016_5lff 1 39 1 OR . 1 1 4 4 ARG H H . . . 1 1 4 4 ARG HB2 H . . . . . . . 2.73 . . . . . A . 4 ARG H . . A . 4 ARG HB2 . . . 4 ARG+ HN . . . . . 4 ARG+ QB . . c34016_5lff 1 39 2 OR . 1 1 4 4 ARG H H . . . 1 1 4 4 ARG HB3 H . . . . . . . 2.73 . . . . . A . 4 ARG H . . A . 4 ARG HB3 . . . 4 ARG+ HN . . . . . 4 ARG+ QB . . c34016_5lff 1 40 1 . . 1 1 4 4 ARG H H . . . 1 1 4 4 ARG HG2 H . . . . . . . 5.00 . . . . . A . 4 ARG H . . A . 4 ARG HG2 . . . 4 ARG+ HN . . . . . 4 ARG+ HG2 . . c34016_5lff 1 41 1 . . 1 1 4 4 ARG H H . . . 1 1 4 4 ARG HG3 H . . . . . . . 5.00 . . . . . A . 4 ARG H . . A . 4 ARG HG3 . . . 4 ARG+ HN . . . . . 4 ARG+ HG3 . . c34016_5lff 1 42 1 OR . 1 1 4 4 ARG H H . . . 1 1 4 4 ARG HD2 H . . . . . . . 5.88 . . . . . A . 4 ARG H . . A . 4 ARG HD2 . . . 4 ARG+ HN . . . . . 4 ARG+ QD . . c34016_5lff 1 42 2 OR . 1 1 4 4 ARG H H . . . 1 1 4 4 ARG HD3 H . . . . . . . 5.88 . . . . . A . 4 ARG H . . A . 4 ARG HD3 . . . 4 ARG+ HN . . . . . 4 ARG+ QD . . c34016_5lff 1 43 1 . . 1 1 4 4 ARG H H . . . 1 1 5 5 PHE H H . . . . . . . 2.76 . . . . . A . 4 ARG H . . A . 5 PHE H . . . 4 ARG+ HN . . . . . 5 PHE HN . . c34016_5lff 1 44 1 OR . 1 1 4 4 ARG H H . . . 1 1 5 5 PHE HB2 H . . . . . . . 5.88 . . . . . A . 4 ARG H . . A . 5 PHE HB2 . . . 4 ARG+ HN . . . . . 5 PHE QB . . c34016_5lff 1 44 2 OR . 1 1 4 4 ARG H H . . . 1 1 5 5 PHE HB3 H . . . . . . . 5.88 . . . . . A . 4 ARG H . . A . 5 PHE HB3 . . . 4 ARG+ HN . . . . . 5 PHE QB . . c34016_5lff 1 45 1 . . 1 1 4 4 ARG H H . . . 1 1 5 5 PHE QD H . . . . . . . 7.12 . . . . . A . 4 ARG H . . A . 5 PHE QD . . . 4 ARG+ HN . . . . . 5 PHE QD . . c34016_5lff 1 46 1 . . 1 1 4 4 ARG H H . . . 1 1 6 6 PHE H H . . . . . . . 3.92 . . . . . A . 4 ARG H . . A . 6 PHE H . . . 4 ARG+ HN . . . . . 6 PHE HN . . c34016_5lff 1 47 1 . . 1 1 4 4 ARG HA H . . . 1 1 4 4 ARG HB2 H . . . . . . . 3.00 . . . . . A . 4 ARG HA . . A . 4 ARG HB2 . . . 4 ARG+ HA . . . . . 4 ARG+ HB2 . . c34016_5lff 1 48 1 . . 1 1 4 4 ARG HB3 H . . . 1 1 4 4 ARG HA H . . . . . . . 3.00 . . . . . A . 4 ARG HB3 . . A . 4 ARG HA . . . 4 ARG+ HB3 . . . . . 4 ARG+ HA . . c34016_5lff 1 49 1 . . 1 1 5 5 PHE H H . . . 1 1 4 4 ARG HA H . . . . . . . 3.36 . . . . . A . 5 PHE H . . A . 4 ARG HA . . . 5 PHE HN . . . . . 4 ARG+ HA . . c34016_5lff 1 50 1 . . 1 1 5 5 PHE QD H . . . 1 1 4 4 ARG HA H . . . . . . . 7.12 . . . . . A . 5 PHE QD . . A . 4 ARG HA . . . 5 PHE QD . . . . . 4 ARG+ HA . . c34016_5lff 1 51 1 . . 1 1 6 6 PHE H H . . . 1 1 4 4 ARG HA H . . . . . . . 4.96 . . . . . A . 6 PHE H . . A . 4 ARG HA . . . 6 PHE HN . . . . . 4 ARG+ HA . . c34016_5lff 1 52 1 . . 1 1 4 4 ARG HE H . . . 1 1 4 4 ARG HB2 H . . . . . . . 5.00 . . . . . A . 4 ARG HE . . A . 4 ARG HB2 . . . 4 ARG+ HE . . . . . 4 ARG+ HB2 . . c34016_5lff 1 53 1 . . 1 1 5 5 PHE H H . . . 1 1 4 4 ARG HB2 H . . . . . . . 3.20 . . . . . A . 5 PHE H . . A . 4 ARG HB2 . . . 5 PHE HN . . . . . 4 ARG+ HB2 . . c34016_5lff 1 54 1 OR . 1 1 5 5 PHE HB3 H . . . 1 1 4 4 ARG HB2 H . . . . . . . 5.88 . . . . . A . 5 PHE HB3 . . A . 4 ARG HB2 . . . 5 PHE QB . . . . . 4 ARG+ HB2 . . c34016_5lff 1 54 2 OR . 1 1 4 4 ARG HB2 H . . . 1 1 5 5 PHE HB2 H . . . . . . . 5.88 . . . . . A . 4 ARG HB2 . . A . 5 PHE HB2 . . . 4 ARG+ HB2 . . . . . 5 PHE QB . . c34016_5lff 1 55 1 . . 1 1 5 5 PHE QD H . . . 1 1 4 4 ARG HB2 H . . . . . . . 7.12 . . . . . A . 5 PHE QD . . A . 4 ARG HB2 . . . 5 PHE QD . . . . . 4 ARG+ HB2 . . c34016_5lff 1 56 1 . . 1 1 5 5 PHE QE H . . . 1 1 4 4 ARG HB2 H . . . . . . . 7.12 . . . . . A . 5 PHE QE . . A . 4 ARG HB2 . . . 5 PHE QE . . . . . 4 ARG+ HB2 . . c34016_5lff 1 57 1 . . 1 1 6 6 PHE H H . . . 1 1 4 4 ARG HB2 H . . . . . . . 4.92 . . . . . A . 6 PHE H . . A . 4 ARG HB2 . . . 6 PHE HN . . . . . 4 ARG+ HB2 . . c34016_5lff 1 58 1 . . 1 1 4 4 ARG HB3 H . . . 1 1 4 4 ARG HE H . . . . . . . 5.00 . . . . . A . 4 ARG HB3 . . A . 4 ARG HE . . . 4 ARG+ HB3 . . . . . 4 ARG+ HE . . c34016_5lff 1 59 1 . . 1 1 5 5 PHE H H . . . 1 1 4 4 ARG HB3 H . . . . . . . 3.20 . . . . . A . 5 PHE H . . A . 4 ARG HB3 . . . 5 PHE HN . . . . . 4 ARG+ HB3 . . c34016_5lff 1 60 1 OR . 1 1 4 4 ARG HB3 H . . . 1 1 5 5 PHE HB3 H . . . . . . . 5.88 . . . . . A . 4 ARG HB3 . . A . 5 PHE HB3 . . . 4 ARG+ HB3 . . . . . 5 PHE QB . . c34016_5lff 1 60 2 OR . 1 1 4 4 ARG HB3 H . . . 1 1 5 5 PHE HB2 H . . . . . . . 5.88 . . . . . A . 4 ARG HB3 . . A . 5 PHE HB2 . . . 4 ARG+ HB3 . . . . . 5 PHE QB . . c34016_5lff 1 61 1 . . 1 1 4 4 ARG HB3 H . . . 1 1 5 5 PHE QD H . . . . . . . 7.12 . . . . . A . 4 ARG HB3 . . A . 5 PHE QD . . . 4 ARG+ HB3 . . . . . 5 PHE QD . . c34016_5lff 1 62 1 . . 1 1 4 4 ARG HB3 H . . . 1 1 5 5 PHE QE H . . . . . . . 7.12 . . . . . A . 4 ARG HB3 . . A . 5 PHE QE . . . 4 ARG+ HB3 . . . . . 5 PHE QE . . c34016_5lff 1 63 1 . . 1 1 4 4 ARG HB3 H . . . 1 1 6 6 PHE H H . . . . . . . 4.92 . . . . . A . 4 ARG HB3 . . A . 6 PHE H . . . 4 ARG+ HB3 . . . . . 6 PHE HN . . c34016_5lff 1 64 1 OR . 1 1 6 6 PHE H H . . . 1 1 4 4 ARG HB2 H . . . . . . . 4.29 . . . . . A . 6 PHE H . . A . 4 ARG HB2 . . . 6 PHE HN . . . . . 4 ARG+ QB . . c34016_5lff 1 64 2 OR . 1 1 4 4 ARG HB3 H . . . 1 1 6 6 PHE H H . . . . . . . 4.29 . . . . . A . 4 ARG HB3 . . A . 6 PHE H . . . 4 ARG+ QB . . . . . 6 PHE HN . . c34016_5lff 1 65 1 . . 1 1 5 5 PHE H H . . . 1 1 4 4 ARG HG2 H . . . . . . . 5.00 . . . . . A . 5 PHE H . . A . 4 ARG HG2 . . . 5 PHE HN . . . . . 4 ARG+ HG2 . . c34016_5lff 1 66 1 . . 1 1 4 4 ARG HG2 H . . . 1 1 5 5 PHE QD H . . . . . . . 7.12 . . . . . A . 4 ARG HG2 . . A . 5 PHE QD . . . 4 ARG+ HG2 . . . . . 5 PHE QD . . c34016_5lff 1 67 1 . . 1 1 4 4 ARG HG2 H . . . 1 1 5 5 PHE QE H . . . . . . . 7.12 . . . . . A . 4 ARG HG2 . . A . 5 PHE QE . . . 4 ARG+ HG2 . . . . . 5 PHE QE . . c34016_5lff 1 68 1 . . 1 1 5 5 PHE H H . . . 1 1 4 4 ARG HG3 H . . . . . . . 5.00 . . . . . A . 5 PHE H . . A . 4 ARG HG3 . . . 5 PHE HN . . . . . 4 ARG+ HG3 . . c34016_5lff 1 69 1 . . 1 1 4 4 ARG HG3 H . . . 1 1 5 5 PHE QD H . . . . . . . 7.12 . . . . . A . 4 ARG HG3 . . A . 5 PHE QD . . . 4 ARG+ HG3 . . . . . 5 PHE QD . . c34016_5lff 1 70 1 . . 1 1 4 4 ARG HG3 H . . . 1 1 5 5 PHE QE H . . . . . . . 7.12 . . . . . A . 4 ARG HG3 . . A . 5 PHE QE . . . 4 ARG+ HG3 . . . . . 5 PHE QE . . c34016_5lff 1 71 1 OR . 1 1 5 5 PHE H H . . . 1 1 4 4 ARG HD2 H . . . . . . . 5.88 . . . . . A . 5 PHE H . . A . 4 ARG HD2 . . . 5 PHE HN . . . . . 4 ARG+ QD . . c34016_5lff 1 71 2 OR . 1 1 5 5 PHE H H . . . 1 1 4 4 ARG HD3 H . . . . . . . 5.88 . . . . . A . 5 PHE H . . A . 4 ARG HD3 . . . 5 PHE HN . . . . . 4 ARG+ QD . . c34016_5lff 1 72 1 OR . 1 1 5 5 PHE QE H . . . 1 1 4 4 ARG HD2 H . . . . . . . 8.00 . . . . . A . 5 PHE QE . . A . 4 ARG HD2 . . . 5 PHE QE . . . . . 4 ARG+ QD . . c34016_5lff 1 72 2 OR . 1 1 4 4 ARG HD3 H . . . 1 1 5 5 PHE QE H . . . . . . . 8.00 . . . . . A . 4 ARG HD3 . . A . 5 PHE QE . . . 4 ARG+ QD . . . . . 5 PHE QE . . c34016_5lff 1 73 1 . . 1 1 5 5 PHE H H . . . 1 1 4 4 ARG HE H . . . . . . . 5.00 . . . . . A . 5 PHE H . . A . 4 ARG HE . . . 5 PHE HN . . . . . 4 ARG+ HE . . c34016_5lff 1 74 1 OR . 1 1 5 5 PHE H H . . . 1 1 5 5 PHE HB2 H . . . . . . . 4.16 . . . . . A . 5 PHE H . . A . 5 PHE HB2 . . . 5 PHE HN . . . . . 5 PHE QB . . c34016_5lff 1 74 2 OR . 1 1 5 5 PHE H H . . . 1 1 5 5 PHE HB3 H . . . . . . . 4.16 . . . . . A . 5 PHE H . . A . 5 PHE HB3 . . . 5 PHE HN . . . . . 5 PHE QB . . c34016_5lff 1 75 1 . . 1 1 5 5 PHE H H . . . 1 1 5 5 PHE QD H . . . . . . . 7.12 . . . . . A . 5 PHE H . . A . 5 PHE QD . . . 5 PHE HN . . . . . 5 PHE QD . . c34016_5lff 1 76 1 . . 1 1 5 5 PHE H H . . . 1 1 6 6 PHE H H . . . . . . . 2.92 . . . . . A . 5 PHE H . . A . 6 PHE H . . . 5 PHE HN . . . . . 6 PHE HN . . c34016_5lff 1 77 1 . . 1 1 5 5 PHE H H . . . 1 1 6 6 PHE QD H . . . . . . . 7.12 . . . . . A . 5 PHE H . . A . 6 PHE QD . . . 5 PHE HN . . . . . 6 PHE QD . . c34016_5lff 1 78 1 . . 1 1 5 5 PHE QD H . . . 1 1 5 5 PHE HA H . . . . . . . 7.12 . . . . . A . 5 PHE QD . . A . 5 PHE HA . . . 5 PHE QD . . . . . 5 PHE HA . . c34016_5lff 1 79 1 . . 1 1 6 6 PHE H H . . . 1 1 5 5 PHE HA H . . . . . . . 3.00 . . . . . A . 6 PHE H . . A . 5 PHE HA . . . 6 PHE HN . . . . . 5 PHE HA . . c34016_5lff 1 80 1 OR . 1 1 6 6 PHE H H . . . 1 1 5 5 PHE HB2 H . . . . . . . 4.16 . . . . . A . 6 PHE H . . A . 5 PHE HB2 . . . 6 PHE HN . . . . . 5 PHE QB . . c34016_5lff 1 80 2 OR . 1 1 5 5 PHE HB3 H . . . 1 1 6 6 PHE H H . . . . . . . 4.16 . . . . . A . 5 PHE HB3 . . A . 6 PHE H . . . 5 PHE QB . . . . . 6 PHE HN . . c34016_5lff 1 81 1 OR . 1 1 5 5 PHE HB3 H . . . 1 1 6 6 PHE HB3 H . . . . . . . 5.70 . . . . . A . 5 PHE HB3 . . A . 6 PHE HB3 . . . 5 PHE QB . . . . . 6 PHE QB . . c34016_5lff 1 81 2 OR . 1 1 5 5 PHE HB2 H . . . 1 1 6 6 PHE HB3 H . . . . . . . 5.70 . . . . . A . 5 PHE HB2 . . A . 6 PHE HB3 . . . 5 PHE QB . . . . . 6 PHE QB . . c34016_5lff 1 81 3 OR . 1 1 6 6 PHE HB2 H . . . 1 1 5 5 PHE HB2 H . . . . . . . 5.70 . . . . . A . 6 PHE HB2 . . A . 5 PHE HB2 . . . 6 PHE QB . . . . . 5 PHE QB . . c34016_5lff 1 81 4 OR . 1 1 5 5 PHE HB3 H . . . 1 1 6 6 PHE HB2 H . . . . . . . 5.70 . . . . . A . 5 PHE HB3 . . A . 6 PHE HB2 . . . 5 PHE QB . . . . . 6 PHE QB . . c34016_5lff 1 82 1 OR . 1 1 6 6 PHE QD H . . . 1 1 5 5 PHE HB2 H . . . . . . . 8.00 . . . . . A . 6 PHE QD . . A . 5 PHE HB2 . . . 6 PHE QD . . . . . 5 PHE QB . . c34016_5lff 1 82 2 OR . 1 1 5 5 PHE HB3 H . . . 1 1 6 6 PHE QD H . . . . . . . 8.00 . . . . . A . 5 PHE HB3 . . A . 6 PHE QD . . . 5 PHE QB . . . . . 6 PHE QD . . c34016_5lff 1 83 1 . . 1 1 5 5 PHE QD H . . . 1 1 6 6 PHE H H . . . . . . . 7.12 . . . . . A . 5 PHE QD . . A . 6 PHE H . . . 5 PHE QD . . . . . 6 PHE HN . . c34016_5lff 1 84 1 . . 1 1 6 6 PHE H H . . . 1 1 6 6 PHE HA H . . . . . . . 2.88 . . . . . A . 6 PHE H . . A . 6 PHE HA . . . 6 PHE HN . . . . . 6 PHE HA . . c34016_5lff 1 85 1 . . 1 1 6 6 PHE H H . . . 1 1 6 6 PHE HB2 H . . . . . . . 3.44 . . . . . A . 6 PHE H . . A . 6 PHE HB2 . . . 6 PHE HN . . . . . 6 PHE HB2 . . c34016_5lff 1 86 1 . . 1 1 6 6 PHE H H . . . 1 1 6 6 PHE HB3 H . . . . . . . 3.44 . . . . . A . 6 PHE H . . A . 6 PHE HB3 . . . 6 PHE HN . . . . . 6 PHE HB3 . . c34016_5lff 1 87 1 OR . 1 1 6 6 PHE H H . . . 1 1 6 6 PHE HB3 H . . . . . . . 2.85 . . . . . A . 6 PHE H . . A . 6 PHE HB3 . . . 6 PHE HN . . . . . 6 PHE QB . . c34016_5lff 1 87 2 OR . 1 1 6 6 PHE H H . . . 1 1 6 6 PHE HB2 H . . . . . . . 2.85 . . . . . A . 6 PHE H . . A . 6 PHE HB2 . . . 6 PHE HN . . . . . 6 PHE QB . . c34016_5lff 1 88 1 . . 1 1 6 6 PHE H H . . . 1 1 6 6 PHE QD H . . . . . . . 7.12 . . . . . A . 6 PHE H . . A . 6 PHE QD . . . 6 PHE HN . . . . . 6 PHE QD . . c34016_5lff 1 89 1 . . 1 1 6 6 PHE QD H . . . 1 1 6 6 PHE HA H . . . . . . . 7.12 . . . . . A . 6 PHE QD . . A . 6 PHE HA . . . 6 PHE QD . . . . . 6 PHE HA . . c34016_5lff 1 90 1 . . 1 1 6 6 PHE HA H . . . 1 1 7 7 CYS H H . . . . . . . 2.80 . . . . . A . 6 PHE HA . . A . 7 CYS H . . . 6 PHE HA . . . . . 7 CYSS HN . . c34016_5lff 1 91 1 . . 1 1 7 7 CYS H H . . . 1 1 7 7 CYS HA H . . . . . . . 2.88 . . . . . A . 7 CYS H . . A . 7 CYS HA . . . 7 CYSS HN . . . . . 7 CYSS HA . . c34016_5lff 1 92 1 . . 1 1 7 7 CYS H H . . . 1 1 7 7 CYS HB2 H . . . . . . . 3.12 . . . . . A . 7 CYS H . . A . 7 CYS HB2 . . . 7 CYSS HN . . . . . 7 CYSS HB2 . . c34016_5lff 1 93 1 . . 1 1 7 7 CYS H H . . . 1 1 7 7 CYS HB3 H . . . . . . . 3.12 . . . . . A . 7 CYS H . . A . 7 CYS HB3 . . . 7 CYSS HN . . . . . 7 CYSS HB3 . . c34016_5lff 1 94 1 OR . 1 1 7 7 CYS H H . . . 1 1 7 7 CYS HB2 H . . . . . . . 2.68 . . . . . A . 7 CYS H . . A . 7 CYS HB2 . . . 7 CYSS HN . . . . . 7 CYSS QB . . c34016_5lff 1 94 2 OR . 1 1 7 7 CYS H H . . . 1 1 7 7 CYS HB3 H . . . . . . . 2.68 . . . . . A . 7 CYS H . . A . 7 CYS HB3 . . . 7 CYSS HN . . . . . 7 CYSS QB . . c34016_5lff 1 stop_ loop_ _Gen_dist_constraint_comment_org.ID _Gen_dist_constraint_comment_org.Comment_text _Gen_dist_constraint_comment_org.Comment_begin_line _Gen_dist_constraint_comment_org.Comment_begin_column _Gen_dist_constraint_comment_org.Comment_end_line _Gen_dist_constraint_comment_org.Comment_end_column _Gen_dist_constraint_comment_org.Entry_ID _Gen_dist_constraint_comment_org.Gen_dist_constraint_list_ID 1 'Restraints file 1: Peptide_R_upl.txt' 1 1 1 38 c34016_5lff 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 c34016_5lff _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 CYTOKINE 01-JUL-16 5LFF *TITLE NMR STRUCTURE OF PEPTIDE 2 TARGETING CXCR4 *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: ARG-ALA-CYS-ARG-PHE-PHE-CYS; *COMPND 3 CHAIN: A; *COMPND 4 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 ORGANISM_SCIENTIFIC: HOMO SAPIENS; *SOURCE 4 ORGANISM_COMMON: HUMAN; *SOURCE 5 ORGANISM_TAXID: 9606 *KEYWDS CXCR4, CXCL12, CXCR4 ANTAGONISTS, CANCER, MOLECULAR INVASION, DRUG *KEYWDS 2 DESIGN, CHEMOKINE, CYTOKINE *EXPDTA SOLUTION NMR *NUMMDL 10 *AUTHOR S.DI MARO,A.M.TROTTA,D.BRANCACCIO,F.S.DI LEVA,V.LA PIETRA,C.IERANO, *AUTHOR 2 M.NAPOLITANO,L.PORTELLA,C.D'ALTERIO,R.A.SICILIANO,D.SEMENTA, *AUTHOR 3 S.TOMASSI,A.CAROTENUTO,E.NOVELLINO,S.SCALA,L.MARINELLI *REVDAT 1 07-SEP-16 5LFF 0" save_