data_c25522_2n0e ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID c25522_2n0e _Entry.Title ; NMR structure of Neuromedin C in 40% TFE ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-03-05 _Entry.Accession_date 2015-03-05 _Entry.Last_release_date 2015-10-12 _Entry.Original_release_date 2015-10-12 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.81 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details 'This entry describes the solution structure of Neuromedin C in presence of 40% TFE' _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Miquel Adrover . . . c25522_2n0e 2 Pilar Sanchis . . . c25522_2n0e 3 Bartolome Vilanova . . . c25522_2n0e 4 Kris Pauwels . . . c25522_2n0e 5 Gabriel Martorell . . . c25522_2n0e 6 'Juan Jesus' Perez . . . c25522_2n0e stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . c25522_2n0e stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Feeding regulation' . c25522_2n0e 'Growth and differentiation of human tumors' . c25522_2n0e Neuropeptide . c25522_2n0e stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 c25522_2n0e stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 33 c25522_2n0e '15N chemical shifts' 11 c25522_2n0e '1H chemical shifts' 68 c25522_2n0e 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 . . 2015-10-12 . original BMRB . c25522_2n0e stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25519 'Neuromedin C in aqueous solutions' c25522_2n0e BMRB 25520 'Neuromedin C in 10% TFE' c25522_2n0e BMRB 25521 'Neuromedin C in 25% TFE' c25522_2n0e BMRB 25523 'Neuromedin C in 60% TFE' c25522_2n0e BMRB 25524 'Neuromedin C in 90% TFE' c25522_2n0e BMRB 25525 'Neuromedin C in presence of SDS micelles' c25522_2n0e PDB 1C98 'SOLUTION STRUCTURE OF NEUROMEDIN B' c25522_2n0e PDB 1C9A 'SOLUTION STRUCTURE OF NEUROMEDIN B' c25522_2n0e PDB 2N0E 'BMRB Entry Tracking System' c25522_2n0e stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID c25522_2n0e _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Conformational ensembles of neuromedin C reveal a progressive coil-helix transition within a binding-induced folding mechanism ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'RSC ADV' _Citation.Journal_name_full . _Citation.Journal_volume 5 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 83074 _Citation.Page_last 83088 _Citation.Year 2015 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Miquel Adrover . . . c25522_2n0e 1 2 Pilar Sanchis . . . c25522_2n0e 1 3 Bartolome Vilanova . . . c25522_2n0e 1 4 Kris Pauwels . . . c25522_2n0e 1 5 Gabriel Martorell . . . c25522_2n0e 1 6 J. Perez . . . c25522_2n0e 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID c25522_2n0e _Assembly.ID 1 _Assembly.Name 'Neuromedin C in 40% TFE' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity 1 $entity A . yes native no no . . . c25522_2n0e 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID c25522_2n0e _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Neuromedin_C _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 ; GNHWAVGHLMX ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 11 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 1123.295 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Elicits gastrin release and regulates gastric acid secretion and enteric motor function.' c25522_2n0e 1 'Mediates on neurotransmission and neuromodulation.' c25522_2n0e 1 'Plays a central role in regulation of the neuroendocrine and autonomic systems' c25522_2n0e 1 'Regulate growth and/or differentiation of different human tumors.' c25522_2n0e 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . c25522_2n0e 1 2 . ASN . c25522_2n0e 1 3 . HIS . c25522_2n0e 1 4 . TRP . c25522_2n0e 1 5 . ALA . c25522_2n0e 1 6 . VAL . c25522_2n0e 1 7 . GLY . c25522_2n0e 1 8 . HIS . c25522_2n0e 1 9 . LEU . c25522_2n0e 1 10 . MET . c25522_2n0e 1 11 . NH2 . c25522_2n0e 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 c25522_2n0e 1 . ASN 2 2 c25522_2n0e 1 . HIS 3 3 c25522_2n0e 1 . TRP 4 4 c25522_2n0e 1 . ALA 5 5 c25522_2n0e 1 . VAL 6 6 c25522_2n0e 1 . GLY 7 7 c25522_2n0e 1 . HIS 8 8 c25522_2n0e 1 . LEU 9 9 c25522_2n0e 1 . MET 10 10 c25522_2n0e 1 . NH2 11 11 c25522_2n0e 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 c25522_2n0e _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 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . c25522_2n0e 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 c25522_2n0e _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 . 'obtained from a vendor' . . . . . . . . . . . . . . . 'Neuromedin C was purchased from Holzel Diagnostika Handels GmbH' c25522_2n0e 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_NH2 _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_NH2 _Chem_comp.Entry_ID c25522_2n0e _Chem_comp.ID NH2 _Chem_comp.Provenance PDB _Chem_comp.Name 'AMINO GROUP' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code NH2 _Chem_comp.PDB_code NH2 _Chem_comp.Ambiguous_flag yes _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code NH2 _Chem_comp.Number_atoms_all 3 _Chem_comp.Number_atoms_nh 1 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InCHi_code InChI=1/H3N/h1H3 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'H2 N' _Chem_comp.Formula_weight 16.023 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details 'OpenEye OEToolkits' _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 2FLY _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1/H3N/h1H3 InChI InChI 1.02b c25522_2n0e NH2 N SMILES ACDLabs 10.04 c25522_2n0e NH2 QGZKDVFQNNGYKY-UHFFFAOYAF InChIKey InChI 1.02b c25522_2n0e NH2 [NH2] SMILES CACTVS 3.341 c25522_2n0e NH2 [NH2] SMILES 'OpenEye OEToolkits' 1.5.0 c25522_2n0e NH2 [NH2] SMILES_CANONICAL CACTVS 3.341 c25522_2n0e NH2 [NH2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 c25522_2n0e NH2 stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID ammonia 'SYSTEMATIC NAME' ACDLabs 10.04 c25522_2n0e NH2 l^{2}-azane 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 c25522_2n0e NH2 stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID N N N N . N . . N 0 . . . 1 no no . . . . 10.091 . 8.978 . -7.810 . 0.000 0.000 0.000 1 . c25522_2n0e NH2 HN1 HN1 HN1 1HN . H . . N 0 . . . 1 no no . . . . 9.517 . 8.769 . -7.044 . -0.385 -0.545 -0.771 2 . c25522_2n0e NH2 HN2 HN2 HN2 2HN . H . . N 0 . . . 1 no no . . . . 10.323 . 9.890 . -8.082 . 1.020 0.000 0.000 3 . c25522_2n0e NH2 stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING N HN1 no N 1 . c25522_2n0e NH2 2 . SING N HN2 no N 2 . c25522_2n0e NH2 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID c25522_2n0e _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'The sample was prepared in 10mM acetate buffer at pH 4.0 in presence of 40% TFE' _Sample.Aggregate_sample_number . _Sample.Solvent_system trifluoroethanol/water _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 entity 'natural abundance' . . 1 $entity . . 5.0 . . mM 0.1 . . . c25522_2n0e 1 2 'sodium acetate' 'natural abundance' . . . . . . 10 . . mM 0.1 . . . c25522_2n0e 1 3 DSS 'natural abundance' . . . . . . 1.6 . . mM 0.1 . . . c25522_2n0e 1 4 TFE '[U-99% 2H]' . . . . . . 40 . . % 0.5 . . . c25522_2n0e 1 5 D2O '[U-100% 2H]' . . . . . . 10 . . % 1 . . . c25522_2n0e 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 c25522_2n0e _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' 0.01 . M c25522_2n0e 1 pH 4.0 . pH c25522_2n0e 1 pressure 1 . atm c25522_2n0e 1 temperature 273 . K c25522_2n0e 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID c25522_2n0e _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . c25522_2n0e 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing c25522_2n0e 1 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID c25522_2n0e _Software.ID 2 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . c25522_2n0e 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' c25522_2n0e 2 'peak picking' c25522_2n0e 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID c25522_2n0e _Software.ID 3 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . c25522_2n0e 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' c25522_2n0e 3 refinement c25522_2n0e 3 'structure solution' c25522_2n0e 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID c25522_2n0e _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'Bruker Avance III spectrometer operating at 14.1T (600MHz) and equipped with a 5-mm 13C, 15N, 1H triple resonance cryoprobe.' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID c25522_2n0e _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 'Bruker Avance III spectrometer operating at 14.1T (600MHz) and equipped with a 5-mm 13C, 15N, 1H triple resonance cryoprobe.' . . c25522_2n0e 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 c25522_2n0e _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . c25522_2n0e 1 2 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . c25522_2n0e 1 3 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . c25522_2n0e 1 4 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . c25522_2n0e 1 5 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . c25522_2n0e 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID c25522_2n0e _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl carbons' . . . . ppm 0 internal direct 1.0 . . . . . . . . . c25522_2n0e 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1.0 . . . . . . . . . c25522_2n0e 1 N 15 water protons . . . . ppm 0 internal indirect 0.101329118 . . . . . . . . . c25522_2n0e 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID c25522_2n0e _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H TOCSY' . . . c25522_2n0e 1 3 '2D 1H-15N HSQC' . . . c25522_2n0e 1 4 '2D 1H-13C HSQC' . . . c25522_2n0e 1 5 '2D 1H-13C HSQC aromatic' . . . c25522_2n0e 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 2 $XEASY . . c25522_2n0e 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 3.853 0.010 . 2 . . . A 1 GLY HA2 . c25522_2n0e 1 2 . 1 1 1 1 GLY HA3 H 1 3.853 0.010 . 2 . . . A 1 GLY HA3 . c25522_2n0e 1 3 . 1 1 1 1 GLY CA C 13 44.215 0.100 . 1 . . . A 1 GLY CA . c25522_2n0e 1 4 . 1 1 2 2 ASN HA H 1 4.809 0.011 . 1 . . . A 2 ASN HA . c25522_2n0e 1 5 . 1 1 2 2 ASN HB2 H 1 2.728 0.003 . 2 . . . A 2 ASN HB2 . c25522_2n0e 1 6 . 1 1 2 2 ASN HB3 H 1 2.728 0.003 . 2 . . . A 2 ASN HB3 . c25522_2n0e 1 7 . 1 1 2 2 ASN HD21 H 1 7.509 0.001 . 2 . . . A 2 ASN HD21 . c25522_2n0e 1 8 . 1 1 2 2 ASN HD22 H 1 6.774 0.001 . 2 . . . A 2 ASN HD22 . c25522_2n0e 1 9 . 1 1 2 2 ASN CB C 13 39.763 0.100 . 1 . . . A 2 ASN CB . c25522_2n0e 1 10 . 1 1 2 2 ASN ND2 N 15 111.629 0.100 . 1 . . . A 2 ASN ND2 . c25522_2n0e 1 11 . 1 1 3 3 HIS H H 1 8.536 0.011 . 1 . . . A 3 HIS H . c25522_2n0e 1 12 . 1 1 3 3 HIS HA H 1 4.555 0.029 . 1 . . . A 3 HIS HA . c25522_2n0e 1 13 . 1 1 3 3 HIS HB2 H 1 3.145 0.003 . 2 . . . A 3 HIS HB2 . c25522_2n0e 1 14 . 1 1 3 3 HIS HB3 H 1 3.145 0.003 . 2 . . . A 3 HIS HB3 . c25522_2n0e 1 15 . 1 1 3 3 HIS HD2 H 1 7.051 0.002 . 1 . . . A 3 HIS HD2 . c25522_2n0e 1 16 . 1 1 3 3 HIS HE1 H 1 8.088 0.011 . 1 . . . A 3 HIS HE1 . c25522_2n0e 1 17 . 1 1 3 3 HIS CA C 13 57.812 0.100 . 1 . . . A 3 HIS CA . c25522_2n0e 1 18 . 1 1 3 3 HIS CB C 13 30.234 0.100 . 1 . . . A 3 HIS CB . c25522_2n0e 1 19 . 1 1 3 3 HIS CD2 C 13 120.450 0.100 . 1 . . . A 3 HIS CD2 . c25522_2n0e 1 20 . 1 1 3 3 HIS CE1 C 13 138.009 0.100 . 1 . . . A 3 HIS CE1 . c25522_2n0e 1 21 . 1 1 3 3 HIS N N 15 119.993 0.100 . 1 . . . A 3 HIS N . c25522_2n0e 1 22 . 1 1 4 4 TRP H H 1 8.051 0.014 . 1 . . . A 4 TRP H . c25522_2n0e 1 23 . 1 1 4 4 TRP HA H 1 4.567 0.014 . 1 . . . A 4 TRP HA . c25522_2n0e 1 24 . 1 1 4 4 TRP HB2 H 1 3.330 0.006 . 2 . . . A 4 TRP HB2 . c25522_2n0e 1 25 . 1 1 4 4 TRP HB3 H 1 3.330 0.006 . 2 . . . A 4 TRP HB3 . c25522_2n0e 1 26 . 1 1 4 4 TRP HD1 H 1 7.237 0.012 . 1 . . . A 4 TRP HD1 . c25522_2n0e 1 27 . 1 1 4 4 TRP HE1 H 1 9.974 0.004 . 1 . . . A 4 TRP HE1 . c25522_2n0e 1 28 . 1 1 4 4 TRP HE3 H 1 7.563 0.012 . 1 . . . A 4 TRP HE3 . c25522_2n0e 1 29 . 1 1 4 4 TRP HZ2 H 1 7.450 0.005 . 1 . . . A 4 TRP HZ2 . c25522_2n0e 1 30 . 1 1 4 4 TRP HZ3 H 1 7.139 0.013 . 1 . . . A 4 TRP HZ3 . c25522_2n0e 1 31 . 1 1 4 4 TRP HH2 H 1 7.221 0.014 . 1 . . . A 4 TRP HH2 . c25522_2n0e 1 32 . 1 1 4 4 TRP CA C 13 59.350 0.100 . 1 . . . A 4 TRP CA . c25522_2n0e 1 33 . 1 1 4 4 TRP CB C 13 30.085 0.100 . 1 . . . A 4 TRP CB . c25522_2n0e 1 34 . 1 1 4 4 TRP CD1 C 13 127.852 0.100 . 1 . . . A 4 TRP CD1 . c25522_2n0e 1 35 . 1 1 4 4 TRP CE3 C 13 121.507 0.100 . 1 . . . A 4 TRP CE3 . c25522_2n0e 1 36 . 1 1 4 4 TRP CZ2 C 13 115.392 0.100 . 1 . . . A 4 TRP CZ2 . c25522_2n0e 1 37 . 1 1 4 4 TRP CZ3 C 13 122.840 0.100 . 1 . . . A 4 TRP CZ3 . c25522_2n0e 1 38 . 1 1 4 4 TRP CH2 C 13 125.507 0.100 . 1 . . . A 4 TRP CH2 . c25522_2n0e 1 39 . 1 1 4 4 TRP N N 15 121.459 0.100 . 1 . . . A 4 TRP N . c25522_2n0e 1 40 . 1 1 4 4 TRP NE1 N 15 128.468 0.100 . 1 . . . A 4 TRP NE1 . c25522_2n0e 1 41 . 1 1 5 5 ALA H H 1 8.203 0.012 . 1 . . . A 5 ALA H . c25522_2n0e 1 42 . 1 1 5 5 ALA HA H 1 4.217 0.004 . 1 . . . A 5 ALA HA . c25522_2n0e 1 43 . 1 1 5 5 ALA HB1 H 1 1.365 0.004 . 1 . . . A 5 ALA HB1 . c25522_2n0e 1 44 . 1 1 5 5 ALA HB2 H 1 1.365 0.004 . 1 . . . A 5 ALA HB2 . c25522_2n0e 1 45 . 1 1 5 5 ALA HB3 H 1 1.365 0.004 . 1 . . . A 5 ALA HB3 . c25522_2n0e 1 46 . 1 1 5 5 ALA CA C 13 54.560 0.100 . 1 . . . A 5 ALA CA . c25522_2n0e 1 47 . 1 1 5 5 ALA CB C 13 19.436 0.100 . 1 . . . A 5 ALA CB . c25522_2n0e 1 48 . 1 1 5 5 ALA N N 15 124.148 0.100 . 1 . . . A 5 ALA N . c25522_2n0e 1 49 . 1 1 6 6 VAL H H 1 7.745 0.014 . 1 . . . A 6 VAL H . c25522_2n0e 1 50 . 1 1 6 6 VAL HA H 1 3.895 0.008 . 1 . . . A 6 VAL HA . c25522_2n0e 1 51 . 1 1 6 6 VAL HB H 1 2.091 0.014 . 1 . . . A 6 VAL HB . c25522_2n0e 1 52 . 1 1 6 6 VAL HG11 H 1 1.001 0.006 . 1 . . . A 6 VAL HG11 . c25522_2n0e 1 53 . 1 1 6 6 VAL HG12 H 1 1.001 0.006 . 1 . . . A 6 VAL HG12 . c25522_2n0e 1 54 . 1 1 6 6 VAL HG13 H 1 1.001 0.006 . 1 . . . A 6 VAL HG13 . c25522_2n0e 1 55 . 1 1 6 6 VAL HG21 H 1 0.962 0.009 . 1 . . . A 6 VAL HG21 . c25522_2n0e 1 56 . 1 1 6 6 VAL HG22 H 1 0.962 0.009 . 1 . . . A 6 VAL HG22 . c25522_2n0e 1 57 . 1 1 6 6 VAL HG23 H 1 0.962 0.009 . 1 . . . A 6 VAL HG23 . c25522_2n0e 1 58 . 1 1 6 6 VAL CA C 13 65.163 0.100 . 1 . . . A 6 VAL CA . c25522_2n0e 1 59 . 1 1 6 6 VAL CB C 13 33.026 0.100 . 1 . . . A 6 VAL CB . c25522_2n0e 1 60 . 1 1 6 6 VAL CG1 C 13 21.703 0.100 . 1 . . . A 6 VAL CG1 . c25522_2n0e 1 61 . 1 1 6 6 VAL CG2 C 13 21.502 0.100 . 1 . . . A 6 VAL CG2 . c25522_2n0e 1 62 . 1 1 6 6 VAL N N 15 117.521 0.100 . 1 . . . A 6 VAL N . c25522_2n0e 1 63 . 1 1 7 7 GLY H H 1 8.205 0.013 . 1 . . . A 7 GLY H . c25522_2n0e 1 64 . 1 1 7 7 GLY HA2 H 1 3.878 0.009 . 2 . . . A 7 GLY HA2 . c25522_2n0e 1 65 . 1 1 7 7 GLY HA3 H 1 3.878 0.009 . 2 . . . A 7 GLY HA3 . c25522_2n0e 1 66 . 1 1 7 7 GLY CA C 13 46.727 0.100 . 1 . . . A 7 GLY CA . c25522_2n0e 1 67 . 1 1 7 7 GLY N N 15 108.804 0.100 . 1 . . . A 7 GLY N . c25522_2n0e 1 68 . 1 1 8 8 HIS H H 1 8.010 0.012 . 1 . . . A 8 HIS H . c25522_2n0e 1 69 . 1 1 8 8 HIS HA H 1 4.572 0.004 . 1 . . . A 8 HIS HA . c25522_2n0e 1 70 . 1 1 8 8 HIS HB2 H 1 3.219 0.013 . 2 . . . A 8 HIS HB2 . c25522_2n0e 1 71 . 1 1 8 8 HIS HB3 H 1 3.044 0.006 . 2 . . . A 8 HIS HB3 . c25522_2n0e 1 72 . 1 1 8 8 HIS HD2 H 1 7.159 0.012 . 1 . . . A 8 HIS HD2 . c25522_2n0e 1 73 . 1 1 8 8 HIS HE1 H 1 8.125 0.011 . 1 . . . A 8 HIS HE1 . c25522_2n0e 1 74 . 1 1 8 8 HIS CA C 13 57.812 0.100 . 1 . . . A 8 HIS CA . c25522_2n0e 1 75 . 1 1 8 8 HIS CB C 13 29.815 0.106 . 1 . . . A 8 HIS CB . c25522_2n0e 1 76 . 1 1 8 8 HIS CD2 C 13 120.771 0.100 . 1 . . . A 8 HIS CD2 . c25522_2n0e 1 77 . 1 1 8 8 HIS CE1 C 13 137.258 0.100 . 1 . . . A 8 HIS CE1 . c25522_2n0e 1 78 . 1 1 8 8 HIS N N 15 117.250 0.100 . 1 . . . A 8 HIS N . c25522_2n0e 1 79 . 1 1 9 9 LEU H H 1 8.099 0.012 . 1 . . . A 9 LEU H . c25522_2n0e 1 80 . 1 1 9 9 LEU HA H 1 4.317 0.005 . 1 . . . A 9 LEU HA . c25522_2n0e 1 81 . 1 1 9 9 LEU HB2 H 1 1.766 0.011 . 2 . . . A 9 LEU HB2 . c25522_2n0e 1 82 . 1 1 9 9 LEU HB3 H 1 1.632 0.012 . 2 . . . A 9 LEU HB3 . c25522_2n0e 1 83 . 1 1 9 9 LEU HG H 1 1.638 0.012 . 1 . . . A 9 LEU HG . c25522_2n0e 1 84 . 1 1 9 9 LEU HD11 H 1 0.936 0.014 . 1 . . . A 9 LEU HD11 . c25522_2n0e 1 85 . 1 1 9 9 LEU HD12 H 1 0.936 0.014 . 1 . . . A 9 LEU HD12 . c25522_2n0e 1 86 . 1 1 9 9 LEU HD13 H 1 0.936 0.014 . 1 . . . A 9 LEU HD13 . c25522_2n0e 1 87 . 1 1 9 9 LEU HD21 H 1 0.899 0.012 . 1 . . . A 9 LEU HD21 . c25522_2n0e 1 88 . 1 1 9 9 LEU HD22 H 1 0.899 0.012 . 1 . . . A 9 LEU HD22 . c25522_2n0e 1 89 . 1 1 9 9 LEU HD23 H 1 0.899 0.012 . 1 . . . A 9 LEU HD23 . c25522_2n0e 1 90 . 1 1 9 9 LEU CA C 13 56.899 0.100 . 1 . . . A 9 LEU CA . c25522_2n0e 1 91 . 1 1 9 9 LEU CB C 13 43.239 0.100 . 1 . . . A 9 LEU CB . c25522_2n0e 1 92 . 1 1 9 9 LEU CG C 13 27.781 0.100 . 1 . . . A 9 LEU CG . c25522_2n0e 1 93 . 1 1 9 9 LEU CD1 C 13 25.244 0.100 . 1 . . . A 9 LEU CD1 . c25522_2n0e 1 94 . 1 1 9 9 LEU CD2 C 13 23.621 0.100 . 1 . . . A 9 LEU CD2 . c25522_2n0e 1 95 . 1 1 9 9 LEU N N 15 121.323 0.100 . 1 . . . A 9 LEU N . c25522_2n0e 1 96 . 1 1 10 10 MET H H 1 8.046 0.011 . 1 . . . A 10 MET H . c25522_2n0e 1 97 . 1 1 10 10 MET HA H 1 4.462 0.012 . 1 . . . A 10 MET HA . c25522_2n0e 1 98 . 1 1 10 10 MET HB2 H 1 2.157 0.011 . 2 . . . A 10 MET HB2 . c25522_2n0e 1 99 . 1 1 10 10 MET HB3 H 1 2.055 0.013 . 2 . . . A 10 MET HB3 . c25522_2n0e 1 100 . 1 1 10 10 MET HG2 H 1 2.637 0.014 . 2 . . . A 10 MET HG2 . c25522_2n0e 1 101 . 1 1 10 10 MET HG3 H 1 2.525 0.013 . 2 . . . A 10 MET HG3 . c25522_2n0e 1 102 . 1 1 10 10 MET HE1 H 1 2.075 0.008 . 1 . . . A 10 MET HE1 . c25522_2n0e 1 103 . 1 1 10 10 MET HE2 H 1 2.075 0.008 . 1 . . . A 10 MET HE2 . c25522_2n0e 1 104 . 1 1 10 10 MET HE3 H 1 2.075 0.008 . 1 . . . A 10 MET HE3 . c25522_2n0e 1 105 . 1 1 10 10 MET CA C 13 56.247 0.100 . 1 . . . A 10 MET CA . c25522_2n0e 1 106 . 1 1 10 10 MET CB C 13 33.768 0.100 . 1 . . . A 10 MET CB . c25522_2n0e 1 107 . 1 1 10 10 MET CG C 13 32.974 0.104 . 1 . . . A 10 MET CG . c25522_2n0e 1 108 . 1 1 10 10 MET CE C 13 17.182 0.100 . 1 . . . A 10 MET CE . c25522_2n0e 1 109 . 1 1 10 10 MET N N 15 118.635 0.100 . 1 . . . A 10 MET N . c25522_2n0e 1 110 . 1 1 11 11 NH2 HN1 H 1 7.270 0.011 . 2 . . . . 11 NH2 HN1 . c25522_2n0e 1 111 . 1 1 11 11 NH2 HN2 H 1 6.980 0.011 . 2 . . . . 11 NH2 HN2 . c25522_2n0e 1 112 . 1 1 11 11 NH2 N N 15 105.898 0.108 . 1 . . . . 11 NH2 N . c25522_2n0e 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 c25522_2n0e _Conformer_stat_list.ID 1 _Conformer_stat_list.Conf_family_coord_set_ID 1 _Conformer_stat_list.Conf_family_coord_set_label $Original_constraints_and_structures _Conformer_stat_list.Conformer_submitted_total_num 20 save_ ##################################### # Conformer family coordinate set # ##################################### save_ensemble_of_conformers _Conformer_family_coord_set.Sf_category conformer_family_coord_set _Conformer_family_coord_set.Sf_framecode ensemble_of_conformers _Conformer_family_coord_set.Entry_ID c25522_2n0e _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 . . . c25522_2n0e 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 . . . . c25522_2n0e 1 stop_ loop_ _Atom_site.Assembly_ID _Atom_site.Model_ID _Atom_site.Model_site_ID _Atom_site.ID _Atom_site.Assembly_atom_ID _Atom_site.Label_entity_assembly_ID _Atom_site.Label_entity_ID _Atom_site.Label_comp_index_ID _Atom_site.Label_comp_ID _Atom_site.Label_atom_ID _Atom_site.Type_symbol _Atom_site.Cartn_x _Atom_site.Cartn_y _Atom_site.Cartn_z _Atom_site.Cartn_x_esd _Atom_site.Cartn_y_esd _Atom_site.Cartn_z_esd _Atom_site.Occupancy _Atom_site.Occupancy_esd _Atom_site.Uncertainty _Atom_site.Ordered_flag _Atom_site.Footnote_ID _Atom_site.PDBX_label_asym_ID _Atom_site.PDBX_label_seq_ID _Atom_site.PDBX_label_comp_ID _Atom_site.PDBX_label_atom_ID _Atom_site.PDBX_formal_charge _Atom_site.PDBX_label_entity_ID _Atom_site.PDB_record_ID _Atom_site.PDB_model_num _Atom_site.PDB_strand_ID _Atom_site.PDB_ins_code _Atom_site.PDB_residue_no _Atom_site.PDB_residue_name _Atom_site.PDB_atom_name _Atom_site.Auth_entity_assembly_ID _Atom_site.Auth_asym_ID _Atom_site.Auth_chain_ID _Atom_site.Auth_seq_ID _Atom_site.Auth_comp_ID _Atom_site.Auth_atom_ID _Atom_site.Auth_alt_ID _Atom_site.Auth_atom_name _Atom_site.Details _Atom_site.Entry_ID _Atom_site.Conformer_family_coord_set_ID . 1 . 1 . 1 1 1 GLY C C -0.055 9.434 3.195 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c25522_2n0e 1 . 1 . 2 . 1 1 1 GLY CA C -0.333 10.774 2.544 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c25522_2n0e 1 . 1 . 3 . 1 1 1 GLY H1 H -2.133 10.299 1.763 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c25522_2n0e 1 . 1 . 4 . 1 1 1 GLY H2 H -1.415 11.575 1.040 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H2 . . . . . . . . . c25522_2n0e 1 . 1 . 5 . 1 1 1 GLY H3 H -0.885 10.060 0.738 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H3 . . . . . . . . . c25522_2n0e 1 . 1 . 6 . 1 1 1 GLY HA2 H 0.529 11.151 2.205 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c25522_2n0e 1 . 1 . 7 . 1 1 1 GLY HA3 H -0.719 11.390 3.230 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c25522_2n0e 1 . 1 . 8 . 1 1 1 GLY N N -1.264 10.669 1.435 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c25522_2n0e 1 . 1 . 9 . 1 1 1 GLY O O 1.042 9.197 3.699 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c25522_2n0e 1 . 1 . 10 . 1 1 2 ASN C C 0.175 6.428 3.073 . . . 1.0 . . . . . . . . . . . . A . 2 ASN C . . . . . . . . . c25522_2n0e 1 . 1 . 11 . 1 1 2 ASN CA C -0.909 7.232 3.784 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CA . . . . . . . . . c25522_2n0e 1 . 1 . 12 . 1 1 2 ASN CB C -2.239 6.478 3.726 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CB . . . . . . . . . c25522_2n0e 1 . 1 . 13 . 1 1 2 ASN CG C -3.093 6.715 4.957 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CG . . . . . . . . . c25522_2n0e 1 . 1 . 14 . 1 1 2 ASN H H -1.921 8.807 2.761 . . . 1.0 . . . . . . . . . . . . A . 2 ASN H . . . . . . . . . c25522_2n0e 1 . 1 . 15 . 1 1 2 ASN HA H -0.596 7.371 4.724 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HA . . . . . . . . . c25522_2n0e 1 . 1 . 16 . 1 1 2 ASN HB2 H -2.746 6.783 2.920 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HB2 . . . . . . . . . c25522_2n0e 1 . 1 . 17 . 1 1 2 ASN HB3 H -2.050 5.499 3.650 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HB3 . . . . . . . . . c25522_2n0e 1 . 1 . 18 . 1 1 2 ASN HD21 H -3.901 8.373 4.128 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HD21 . . . . . . . . . c25522_2n0e 1 . 1 . 19 . 1 1 2 ASN HD22 H -4.471 7.984 5.717 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HD22 . . . . . . . . . c25522_2n0e 1 . 1 . 20 . 1 1 2 ASN N N -1.052 8.555 3.187 . . . 1.0 . . . . . . . . . . . . A . 2 ASN N . . . . . . . . . c25522_2n0e 1 . 1 . 21 . 1 1 2 ASN ND2 N -3.887 7.778 4.932 . . . 1.0 . . . . . . . . . . . . A . 2 ASN ND2 . . . . . . . . . c25522_2n0e 1 . 1 . 22 . 1 1 2 ASN O O 0.798 6.907 2.125 . . . 1.0 . . . . . . . . . . . . A . 2 ASN O . . . . . . . . . c25522_2n0e 1 . 1 . 23 . 1 1 2 ASN OD1 O -3.038 5.951 5.921 . . . 1.0 . . . . . . . . . . . . A . 2 ASN OD1 . . . . . . . . . c25522_2n0e 1 . 1 . 24 . 1 1 3 HIS C C 0.856 3.627 1.709 . . . 1.0 . . . . . . . . . . . . A . 3 HIS C . . . . . . . . . c25522_2n0e 1 . 1 . 25 . 1 1 3 HIS CA C 1.404 4.330 2.945 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CA . . . . . . . . . c25522_2n0e 1 . 1 . 26 . 1 1 3 HIS CB C 1.878 3.294 3.966 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CB . . . . . . . . . c25522_2n0e 1 . 1 . 27 . 1 1 3 HIS CD2 C 4.225 2.301 3.469 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CD2 . . . . . . . . . c25522_2n0e 1 . 1 . 28 . 1 1 3 HIS CE1 C 5.401 3.682 4.697 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CE1 . . . . . . . . . c25522_2n0e 1 . 1 . 29 . 1 1 3 HIS CG C 3.375 3.186 4.062 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CG . . . . . . . . . c25522_2n0e 1 . 1 . 30 . 1 1 3 HIS H H -0.142 4.870 4.313 . . . 1.0 . . . . . . . . . . . . A . 3 HIS H . . . . . . . . . c25522_2n0e 1 . 1 . 31 . 1 1 3 HIS HA H 2.177 4.898 2.661 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HA . . . . . . . . . c25522_2n0e 1 . 1 . 32 . 1 1 3 HIS HB2 H 1.522 3.548 4.865 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HB2 . . . . . . . . . c25522_2n0e 1 . 1 . 33 . 1 1 3 HIS HB3 H 1.514 2.400 3.704 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HB3 . . . . . . . . . c25522_2n0e 1 . 1 . 34 . 1 1 3 HIS HD2 H 3.973 1.555 2.852 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HD2 . . . . . . . . . c25522_2n0e 1 . 1 . 35 . 1 1 3 HIS HE1 H 6.175 4.131 5.143 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HE1 . . . . . . . . . c25522_2n0e 1 . 1 . 36 . 1 1 3 HIS HE2 H 6.363 2.180 3.633 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HE2 . . . . . . . . . c25522_2n0e 1 . 1 . 37 . 1 1 3 HIS N N 0.396 5.202 3.538 . . . 1.0 . . . . . . . . . . . . A . 3 HIS N . . . . . . . . . c25522_2n0e 1 . 1 . 38 . 1 1 3 HIS ND1 N 4.135 4.050 4.833 . . . 1.0 . . . . . . . . . . . . A . 3 HIS ND1 . . . . . . . . . c25522_2n0e 1 . 1 . 39 . 1 1 3 HIS NE2 N 5.505 2.629 3.882 . . . 1.0 . . . . . . . . . . . . A . 3 HIS NE2 . . . . . . . . . c25522_2n0e 1 . 1 . 40 . 1 1 3 HIS O O -0.228 3.956 1.225 . . . 1.0 . . . . . . . . . . . . A . 3 HIS O . . . . . . . . . c25522_2n0e 1 . 1 . 41 . 1 1 4 TRP C C 0.847 0.471 0.381 . . . 1.0 . . . . . . . . . . . . A . 4 TRP C . . . . . . . . . c25522_2n0e 1 . 1 . 42 . 1 1 4 TRP CA C 1.199 1.910 0.019 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CA . . . . . . . . . c25522_2n0e 1 . 1 . 43 . 1 1 4 TRP CB C 2.309 1.927 -1.033 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CB . . . . . . . . . c25522_2n0e 1 . 1 . 44 . 1 1 4 TRP CD1 C 4.563 2.275 0.138 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CD1 . . . . . . . . . c25522_2n0e 1 . 1 . 45 . 1 1 4 TRP CD2 C 4.200 0.176 -0.554 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CD2 . . . . . . . . . c25522_2n0e 1 . 1 . 46 . 1 1 4 TRP CE2 C 5.462 0.232 0.068 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CE2 . . . . . . . . . c25522_2n0e 1 . 1 . 47 . 1 1 4 TRP CE3 C 3.756 -1.045 -1.068 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CE3 . . . . . . . . . c25522_2n0e 1 . 1 . 48 . 1 1 4 TRP CG C 3.641 1.493 -0.498 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CG . . . . . . . . . c25522_2n0e 1 . 1 . 49 . 1 1 4 TRP CH2 C 5.823 -2.068 -0.326 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CH2 . . . . . . . . . c25522_2n0e 1 . 1 . 50 . 1 1 4 TRP CZ2 C 6.283 -0.886 0.187 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CZ2 . . . . . . . . . c25522_2n0e 1 . 1 . 51 . 1 1 4 TRP CZ3 C 4.572 -2.153 -0.949 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CZ3 . . . . . . . . . c25522_2n0e 1 . 1 . 52 . 1 1 4 TRP H H 2.481 2.438 1.640 . . . 1.0 . . . . . . . . . . . . A . 4 TRP H . . . . . . . . . c25522_2n0e 1 . 1 . 53 . 1 1 4 TRP HA H 0.368 2.341 -0.333 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HA . . . . . . . . . c25522_2n0e 1 . 1 . 54 . 1 1 4 TRP HB2 H 2.053 1.311 -1.778 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HB2 . . . . . . . . . c25522_2n0e 1 . 1 . 55 . 1 1 4 TRP HB3 H 2.400 2.858 -1.387 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HB3 . . . . . . . . . c25522_2n0e 1 . 1 . 56 . 1 1 4 TRP HD1 H 4.455 3.251 0.327 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HD1 . . . . . . . . . c25522_2n0e 1 . 1 . 57 . 1 1 4 TRP HE1 H 6.474 1.861 0.955 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HE1 . . . . . . . . . c25522_2n0e 1 . 1 . 58 . 1 1 4 TRP HE3 H 2.864 -1.117 -1.514 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HE3 . . . . . . . . . c25522_2n0e 1 . 1 . 59 . 1 1 4 TRP HH2 H 6.390 -2.889 -0.256 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HH2 . . . . . . . . . c25522_2n0e 1 . 1 . 60 . 1 1 4 TRP HZ2 H 7.176 -0.823 0.632 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HZ2 . . . . . . . . . c25522_2n0e 1 . 1 . 61 . 1 1 4 TRP HZ3 H 4.263 -3.031 -1.315 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HZ3 . . . . . . . . . c25522_2n0e 1 . 1 . 62 . 1 1 4 TRP N N 1.610 2.659 1.201 . . . 1.0 . . . . . . . . . . . . A . 4 TRP N . . . . . . . . . c25522_2n0e 1 . 1 . 63 . 1 1 4 TRP NE1 N 5.661 1.523 0.481 . . . 1.0 . . . . . . . . . . . . A . 4 TRP NE1 . . . . . . . . . c25522_2n0e 1 . 1 . 64 . 1 1 4 TRP O O -0.177 -0.054 -0.052 . . . 1.0 . . . . . . . . . . . . A . 4 TRP O . . . . . . . . . c25522_2n0e 1 . 1 . 65 . 1 1 5 ALA C C 0.094 -1.705 2.214 . . . 1.0 . . . . . . . . . . . . A . 5 ALA C . . . . . . . . . c25522_2n0e 1 . 1 . 66 . 1 1 5 ALA CA C 1.480 -1.537 1.601 . . . 1.0 . . . . . . . . . . . . A . 5 ALA CA . . . . . . . . . c25522_2n0e 1 . 1 . 67 . 1 1 5 ALA CB C 2.552 -1.965 2.591 . . . 1.0 . . . . . . . . . . . . A . 5 ALA CB . . . . . . . . . c25522_2n0e 1 . 1 . 68 . 1 1 5 ALA H H 2.520 0.322 1.495 . . . 1.0 . . . . . . . . . . . . A . 5 ALA H . . . . . . . . . c25522_2n0e 1 . 1 . 69 . 1 1 5 ALA HA H 1.542 -2.128 0.797 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HA . . . . . . . . . c25522_2n0e 1 . 1 . 70 . 1 1 5 ALA HB1 H 2.522 -1.366 3.391 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB1 . . . . . . . . . c25522_2n0e 1 . 1 . 71 . 1 1 5 ALA HB2 H 2.391 -2.910 2.876 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB2 . . . . . . . . . c25522_2n0e 1 . 1 . 72 . 1 1 5 ALA HB3 H 3.450 -1.896 2.157 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB3 . . . . . . . . . c25522_2n0e 1 . 1 . 73 . 1 1 5 ALA N N 1.703 -0.160 1.178 . . . 1.0 . . . . . . . . . . . . A . 5 ALA N . . . . . . . . . c25522_2n0e 1 . 1 . 74 . 1 1 5 ALA O O -0.494 -2.785 2.156 . . . 1.0 . . . . . . . . . . . . A . 5 ALA O . . . . . . . . . c25522_2n0e 1 . 1 . 75 . 1 1 6 VAL C C -2.789 -1.216 2.468 . . . 1.0 . . . . . . . . . . . . A . 6 VAL C . . . . . . . . . c25522_2n0e 1 . 1 . 76 . 1 1 6 VAL CA C -1.742 -0.660 3.425 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CA . . . . . . . . . c25522_2n0e 1 . 1 . 77 . 1 1 6 VAL CB C -2.173 0.742 3.887 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CB . . . . . . . . . c25522_2n0e 1 . 1 . 78 . 1 1 6 VAL CG1 C -1.222 1.275 4.948 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CG1 . . . . . . . . . c25522_2n0e 1 . 1 . 79 . 1 1 6 VAL CG2 C -2.250 1.694 2.702 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CG2 . . . . . . . . . c25522_2n0e 1 . 1 . 80 . 1 1 6 VAL H H 0.105 0.218 2.818 . . . 1.0 . . . . . . . . . . . . A . 6 VAL H . . . . . . . . . c25522_2n0e 1 . 1 . 81 . 1 1 6 VAL HA H -1.693 -1.274 4.213 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HA . . . . . . . . . c25522_2n0e 1 . 1 . 82 . 1 1 6 VAL HB H -3.077 0.658 4.307 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HB . . . . . . . . . c25522_2n0e 1 . 1 . 83 . 1 1 6 VAL HG11 H -0.296 1.335 4.575 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG11 . . . . . . . . . c25522_2n0e 1 . 1 . 84 . 1 1 6 VAL HG12 H -1.529 2.185 5.227 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG12 . . . . . . . . . c25522_2n0e 1 . 1 . 85 . 1 1 6 VAL HG13 H -1.223 0.666 5.741 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG13 . . . . . . . . . c25522_2n0e 1 . 1 . 86 . 1 1 6 VAL HG21 H -2.918 1.354 2.040 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG21 . . . . . . . . . c25522_2n0e 1 . 1 . 87 . 1 1 6 VAL HG22 H -2.531 2.597 3.026 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG22 . . . . . . . . . c25522_2n0e 1 . 1 . 88 . 1 1 6 VAL HG23 H -1.353 1.761 2.265 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG23 . . . . . . . . . c25522_2n0e 1 . 1 . 89 . 1 1 6 VAL N N -0.423 -0.631 2.802 . . . 1.0 . . . . . . . . . . . . A . 6 VAL N . . . . . . . . . c25522_2n0e 1 . 1 . 90 . 1 1 6 VAL O O -3.772 -1.825 2.891 . . . 1.0 . . . . . . . . . . . . A . 6 VAL O . . . . . . . . . c25522_2n0e 1 . 1 . 91 . 1 1 7 GLY C C -2.861 -2.432 -0.815 . . . 1.0 . . . . . . . . . . . . A . 7 GLY C . . . . . . . . . c25522_2n0e 1 . 1 . 92 . 1 1 7 GLY CA C -3.509 -1.486 0.176 . . . 1.0 . . . . . . . . . . . . A . 7 GLY CA . . . . . . . . . c25522_2n0e 1 . 1 . 93 . 1 1 7 GLY H H -1.758 -0.501 0.885 . . . 1.0 . . . . . . . . . . . . A . 7 GLY H . . . . . . . . . c25522_2n0e 1 . 1 . 94 . 1 1 7 GLY HA2 H -4.253 -1.967 0.640 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA2 . . . . . . . . . c25522_2n0e 1 . 1 . 95 . 1 1 7 GLY HA3 H -3.879 -0.703 -0.323 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA3 . . . . . . . . . c25522_2n0e 1 . 1 . 96 . 1 1 7 GLY N N -2.574 -1.002 1.174 . . . 1.0 . . . . . . . . . . . . A . 7 GLY N . . . . . . . . . c25522_2n0e 1 . 1 . 97 . 1 1 7 GLY O O -3.509 -3.345 -1.329 . . . 1.0 . . . . . . . . . . . . A . 7 GLY O . . . . . . . . . c25522_2n0e 1 . 1 . 98 . 1 1 8 HIS C C -0.466 -4.386 -1.381 . . . 1.0 . . . . . . . . . . . . A . 8 HIS C . . . . . . . . . c25522_2n0e 1 . 1 . 99 . 1 1 8 HIS CA C -0.841 -3.055 -2.024 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CA . . . . . . . . . c25522_2n0e 1 . 1 . 100 . 1 1 8 HIS CB C 0.417 -2.334 -2.505 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CB . . . . . . . . . c25522_2n0e 1 . 1 . 101 . 1 1 8 HIS CD2 C -0.584 -1.571 -4.777 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CD2 . . . . . . . . . c25522_2n0e 1 . 1 . 102 . 1 1 8 HIS CE1 C 1.208 -1.852 -6.004 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CE1 . . . . . . . . . c25522_2n0e 1 . 1 . 103 . 1 1 8 HIS CG C 0.420 -2.033 -3.979 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CG . . . . . . . . . c25522_2n0e 1 . 1 . 104 . 1 1 8 HIS H H -1.105 -1.457 -0.636 . . . 1.0 . . . . . . . . . . . . A . 8 HIS H . . . . . . . . . c25522_2n0e 1 . 1 . 105 . 1 1 8 HIS HA H -1.437 -3.245 -2.804 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HA . . . . . . . . . c25522_2n0e 1 . 1 . 106 . 1 1 8 HIS HB2 H 0.496 -1.470 -2.008 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HB2 . . . . . . . . . c25522_2n0e 1 . 1 . 107 . 1 1 8 HIS HB3 H 1.209 -2.909 -2.301 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HB3 . . . . . . . . . c25522_2n0e 1 . 1 . 108 . 1 1 8 HIS HD2 H -1.517 -1.352 -4.492 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HD2 . . . . . . . . . c25522_2n0e 1 . 1 . 109 . 1 1 8 HIS HE1 H 1.826 -1.875 -6.790 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HE1 . . . . . . . . . c25522_2n0e 1 . 1 . 110 . 1 1 8 HIS HE2 H -0.539 -1.153 -6.883 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HE2 . . . . . . . . . c25522_2n0e 1 . 1 . 111 . 1 1 8 HIS N N -1.577 -2.215 -1.086 . . . 1.0 . . . . . . . . . . . . A . 8 HIS N . . . . . . . . . c25522_2n0e 1 . 1 . 112 . 1 1 8 HIS ND1 N 1.543 -2.204 -4.771 . . . 1.0 . . . . . . . . . . . . A . 8 HIS ND1 . . . . . . . . . c25522_2n0e 1 . 1 . 113 . 1 1 8 HIS NE2 N -0.068 -1.462 -6.057 . . . 1.0 . . . . . . . . . . . . A . 8 HIS NE2 . . . . . . . . . c25522_2n0e 1 . 1 . 114 . 1 1 8 HIS O O -0.176 -5.362 -2.074 . . . 1.0 . . . . . . . . . . . . A . 8 HIS O . . . . . . . . . c25522_2n0e 1 . 1 . 115 . 1 1 9 LEU C C -1.280 -6.056 1.594 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . c25522_2n0e 1 . 1 . 116 . 1 1 9 LEU CA C -0.132 -5.632 0.684 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . c25522_2n0e 1 . 1 . 117 . 1 1 9 LEU CB C 1.135 -5.410 1.513 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . c25522_2n0e 1 . 1 . 118 . 1 1 9 LEU CD1 C 3.633 -5.330 1.705 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . c25522_2n0e 1 . 1 . 119 . 1 1 9 LEU CD2 C 2.547 -7.062 0.264 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . c25522_2n0e 1 . 1 . 120 . 1 1 9 LEU CG C 2.461 -5.636 0.785 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . c25522_2n0e 1 . 1 . 121 . 1 1 9 LEU H H -0.715 -3.592 0.454 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . c25522_2n0e 1 . 1 . 122 . 1 1 9 LEU HA H 0.030 -6.365 0.023 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . c25522_2n0e 1 . 1 . 123 . 1 1 9 LEU HB2 H 1.124 -4.466 1.842 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . c25522_2n0e 1 . 1 . 124 . 1 1 9 LEU HB3 H 1.104 -6.035 2.293 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . c25522_2n0e 1 . 1 . 125 . 1 1 9 LEU HD11 H 3.585 -4.376 2.002 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . c25522_2n0e 1 . 1 . 126 . 1 1 9 LEU HD12 H 3.596 -5.930 2.504 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . c25522_2n0e 1 . 1 . 127 . 1 1 9 LEU HD13 H 4.490 -5.483 1.213 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . c25522_2n0e 1 . 1 . 128 . 1 1 9 LEU HD21 H 1.789 -7.224 -0.368 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . c25522_2n0e 1 . 1 . 129 . 1 1 9 LEU HD22 H 3.415 -7.208 -0.212 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . c25522_2n0e 1 . 1 . 130 . 1 1 9 LEU HD23 H 2.479 -7.695 1.035 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . c25522_2n0e 1 . 1 . 131 . 1 1 9 LEU HG H 2.503 -5.035 -0.013 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . c25522_2n0e 1 . 1 . 132 . 1 1 9 LEU N N -0.472 -4.419 -0.053 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . c25522_2n0e 1 . 1 . 133 . 1 1 9 LEU O O -1.961 -7.046 1.328 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . c25522_2n0e 1 . 1 . 134 . 1 1 10 MET C C -3.677 -4.563 3.511 . . . 1.0 . . . . . . . . . . . . A . 10 MET C . . . . . . . . . c25522_2n0e 1 . 1 . 135 . 1 1 10 MET CA C -2.560 -5.596 3.612 . . . 1.0 . . . . . . . . . . . . A . 10 MET CA . . . . . . . . . c25522_2n0e 1 . 1 . 136 . 1 1 10 MET CB C -2.010 -5.632 5.040 . . . 1.0 . . . . . . . . . . . . A . 10 MET CB . . . . . . . . . c25522_2n0e 1 . 1 . 137 . 1 1 10 MET CE C 0.833 -2.718 5.958 . . . 1.0 . . . . . . . . . . . . A . 10 MET CE . . . . . . . . . c25522_2n0e 1 . 1 . 138 . 1 1 10 MET CG C -1.375 -4.323 5.480 . . . 1.0 . . . . . . . . . . . . A . 10 MET CG . . . . . . . . . c25522_2n0e 1 . 1 . 139 . 1 1 10 MET H H -0.901 -4.509 2.827 . . . 1.0 . . . . . . . . . . . . A . 10 MET H . . . . . . . . . c25522_2n0e 1 . 1 . 140 . 1 1 10 MET HA H -2.945 -6.487 3.370 . . . 1.0 . . . . . . . . . . . . A . 10 MET HA . . . . . . . . . c25522_2n0e 1 . 1 . 141 . 1 1 10 MET HB2 H -2.762 -5.843 5.664 . . . 1.0 . . . . . . . . . . . . A . 10 MET HB2 . . . . . . . . . c25522_2n0e 1 . 1 . 142 . 1 1 10 MET HB3 H -1.319 -6.352 5.095 . . . 1.0 . . . . . . . . . . . . A . 10 MET HB3 . . . . . . . . . c25522_2n0e 1 . 1 . 143 . 1 1 10 MET HE1 H 0.344 -1.990 5.476 . . . 1.0 . . . . . . . . . . . . A . 10 MET HE1 . . . . . . . . . c25522_2n0e 1 . 1 . 144 . 1 1 10 MET HE2 H 0.562 -2.721 6.921 . . . 1.0 . . . . . . . . . . . . A . 10 MET HE2 . . . . . . . . . c25522_2n0e 1 . 1 . 145 . 1 1 10 MET HE3 H 1.818 -2.560 5.889 . . . 1.0 . . . . . . . . . . . . A . 10 MET HE3 . . . . . . . . . c25522_2n0e 1 . 1 . 146 . 1 1 10 MET HG2 H -1.790 -3.580 4.955 . . . 1.0 . . . . . . . . . . . . A . 10 MET HG2 . . . . . . . . . c25522_2n0e 1 . 1 . 147 . 1 1 10 MET HG3 H -1.566 -4.192 6.453 . . . 1.0 . . . . . . . . . . . . A . 10 MET HG3 . . . . . . . . . c25522_2n0e 1 . 1 . 148 . 1 1 10 MET N N -1.490 -5.300 2.665 . . . 1.0 . . . . . . . . . . . . A . 10 MET N . . . . . . . . . c25522_2n0e 1 . 1 . 149 . 1 1 10 MET O O -4.391 -4.308 4.482 . . . 1.0 . . . . . . . . . . . . A . 10 MET O . . . . . . . . . c25522_2n0e 1 . 1 . 150 . 1 1 10 MET SD S 0.410 -4.296 5.224 . . . 1.0 . . . . . . . . . . . . A . 10 MET SD . . . . . . . . . c25522_2n0e 1 . 2 . 151 . 1 1 1 GLY C C -0.104 9.488 3.401 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c25522_2n0e 1 . 2 . 152 . 1 1 1 GLY CA C -0.359 10.833 2.751 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c25522_2n0e 1 . 2 . 153 . 1 1 1 GLY H1 H 1.348 11.725 3.353 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c25522_2n0e 1 . 2 . 154 . 1 1 1 GLY H2 H 0.166 12.772 2.937 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H2 . . . . . . . . . c25522_2n0e 1 . 2 . 155 . 1 1 1 GLY H3 H 0.084 11.971 4.357 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H3 . . . . . . . . . c25522_2n0e 1 . 2 . 156 . 1 1 1 GLY HA2 H -1.338 11.032 2.798 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c25522_2n0e 1 . 2 . 157 . 1 1 1 GLY HA3 H -0.074 10.786 1.794 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c25522_2n0e 1 . 2 . 158 . 1 1 1 GLY N N 0.366 11.909 3.400 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c25522_2n0e 1 . 2 . 159 . 1 1 1 GLY O O 0.920 9.290 4.053 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c25522_2n0e 1 . 2 . 160 . 1 1 2 ASN C C 0.179 6.430 3.094 . . . 1.0 . . . . . . . . . . . . A . 2 ASN C . . . . . . . . . c25522_2n0e 1 . 2 . 161 . 1 1 2 ASN CA C -0.912 7.227 3.801 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CA . . . . . . . . . c25522_2n0e 1 . 2 . 162 . 1 1 2 ASN CB C -2.245 6.481 3.712 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CB . . . . . . . . . c25522_2n0e 1 . 2 . 163 . 1 1 2 ASN CG C -3.116 6.704 4.934 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CG . . . . . . . . . c25522_2n0e 1 . 2 . 164 . 1 1 2 ASN H H -1.850 8.783 2.684 . . . 1.0 . . . . . . . . . . . . A . 2 ASN H . . . . . . . . . c25522_2n0e 1 . 2 . 165 . 1 1 2 ASN HA H -0.614 7.348 4.748 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HA . . . . . . . . . c25522_2n0e 1 . 2 . 166 . 1 1 2 ASN HB2 H -2.738 6.801 2.903 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HB2 . . . . . . . . . c25522_2n0e 1 . 2 . 167 . 1 1 2 ASN HB3 H -2.060 5.502 3.624 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HB3 . . . . . . . . . c25522_2n0e 1 . 2 . 168 . 1 1 2 ASN HD21 H -2.228 5.162 5.896 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HD21 . . . . . . . . . c25522_2n0e 1 . 2 . 169 . 1 1 2 ASN HD22 H -3.465 5.981 6.791 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HD22 . . . . . . . . . c25522_2n0e 1 . 2 . 170 . 1 1 2 ASN N N -1.039 8.561 3.225 . . . 1.0 . . . . . . . . . . . . A . 2 ASN N . . . . . . . . . c25522_2n0e 1 . 2 . 171 . 1 1 2 ASN ND2 N -2.920 5.881 5.958 . . . 1.0 . . . . . . . . . . . . A . 2 ASN ND2 . . . . . . . . . c25522_2n0e 1 . 2 . 172 . 1 1 2 ASN O O 0.818 6.922 2.163 . . . 1.0 . . . . . . . . . . . . A . 2 ASN O . . . . . . . . . c25522_2n0e 1 . 2 . 173 . 1 1 2 ASN OD1 O -3.953 7.605 4.956 . . . 1.0 . . . . . . . . . . . . A . 2 ASN OD1 . . . . . . . . . c25522_2n0e 1 . 2 . 174 . 1 1 3 HIS C C 0.853 3.623 1.708 . . . 1.0 . . . . . . . . . . . . A . 3 HIS C . . . . . . . . . c25522_2n0e 1 . 2 . 175 . 1 1 3 HIS CA C 1.398 4.328 2.947 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CA . . . . . . . . . c25522_2n0e 1 . 2 . 176 . 1 1 3 HIS CB C 1.876 3.292 3.966 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CB . . . . . . . . . c25522_2n0e 1 . 2 . 177 . 1 1 3 HIS CD2 C 4.242 2.329 3.499 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CD2 . . . . . . . . . c25522_2n0e 1 . 2 . 178 . 1 1 3 HIS CE1 C 5.385 3.731 4.730 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CE1 . . . . . . . . . c25522_2n0e 1 . 2 . 179 . 1 1 3 HIS CG C 3.373 3.205 4.078 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CG . . . . . . . . . c25522_2n0e 1 . 2 . 180 . 1 1 3 HIS H H -0.166 4.852 4.299 . . . 1.0 . . . . . . . . . . . . A . 3 HIS H . . . . . . . . . c25522_2n0e 1 . 2 . 181 . 1 1 3 HIS HA H 2.169 4.899 2.665 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HA . . . . . . . . . c25522_2n0e 1 . 2 . 182 . 1 1 3 HIS HB2 H 1.507 3.535 4.863 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HB2 . . . . . . . . . c25522_2n0e 1 . 2 . 183 . 1 1 3 HIS HB3 H 1.528 2.395 3.694 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HB3 . . . . . . . . . c25522_2n0e 1 . 2 . 184 . 1 1 3 HIS HD2 H 4.007 1.577 2.884 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HD2 . . . . . . . . . c25522_2n0e 1 . 2 . 185 . 1 1 3 HIS HE1 H 6.149 4.193 5.182 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HE1 . . . . . . . . . c25522_2n0e 1 . 2 . 186 . 1 1 3 HIS HE2 H 6.378 2.238 3.685 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HE2 . . . . . . . . . c25522_2n0e 1 . 2 . 187 . 1 1 3 HIS N N 0.386 5.195 3.539 . . . 1.0 . . . . . . . . . . . . A . 3 HIS N . . . . . . . . . c25522_2n0e 1 . 2 . 188 . 1 1 3 HIS ND1 N 4.113 4.083 4.852 . . . 1.0 . . . . . . . . . . . . A . 3 HIS ND1 . . . . . . . . . c25522_2n0e 1 . 2 . 189 . 1 1 3 HIS NE2 N 5.511 2.677 3.923 . . . 1.0 . . . . . . . . . . . . A . 3 HIS NE2 . . . . . . . . . c25522_2n0e 1 . 2 . 190 . 1 1 3 HIS O O -0.231 3.948 1.223 . . . 1.0 . . . . . . . . . . . . A . 3 HIS O . . . . . . . . . c25522_2n0e 1 . 2 . 191 . 1 1 4 TRP C C 0.851 0.471 0.379 . . . 1.0 . . . . . . . . . . . . A . 4 TRP C . . . . . . . . . c25522_2n0e 1 . 2 . 192 . 1 1 4 TRP CA C 1.205 1.909 0.017 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CA . . . . . . . . . c25522_2n0e 1 . 2 . 193 . 1 1 4 TRP CB C 2.319 1.925 -1.030 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CB . . . . . . . . . c25522_2n0e 1 . 2 . 194 . 1 1 4 TRP CD1 C 4.569 2.282 0.144 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CD1 . . . . . . . . . c25522_2n0e 1 . 2 . 195 . 1 1 4 TRP CD2 C 4.208 0.177 -0.535 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CD2 . . . . . . . . . c25522_2n0e 1 . 2 . 196 . 1 1 4 TRP CE2 C 5.469 0.238 0.089 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CE2 . . . . . . . . . c25522_2n0e 1 . 2 . 197 . 1 1 4 TRP CE3 C 3.766 -1.047 -1.042 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CE3 . . . . . . . . . c25522_2n0e 1 . 2 . 198 . 1 1 4 TRP CG C 3.650 1.495 -0.489 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CG . . . . . . . . . c25522_2n0e 1 . 2 . 199 . 1 1 4 TRP CH2 C 5.832 -2.066 -0.287 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CH2 . . . . . . . . . c25522_2n0e 1 . 2 . 200 . 1 1 4 TRP CZ2 C 6.290 -0.880 0.218 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CZ2 . . . . . . . . . c25522_2n0e 1 . 2 . 201 . 1 1 4 TRP CZ3 C 4.581 -2.155 -0.913 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CZ3 . . . . . . . . . c25522_2n0e 1 . 2 . 202 . 1 1 4 TRP H H 2.484 2.442 1.639 . . . 1.0 . . . . . . . . . . . . A . 4 TRP H . . . . . . . . . c25522_2n0e 1 . 2 . 203 . 1 1 4 TRP HA H 0.376 2.340 -0.339 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HA . . . . . . . . . c25522_2n0e 1 . 2 . 204 . 1 1 4 TRP HB2 H 2.067 1.306 -1.774 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HB2 . . . . . . . . . c25522_2n0e 1 . 2 . 205 . 1 1 4 TRP HB3 H 2.409 2.855 -1.386 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HB3 . . . . . . . . . c25522_2n0e 1 . 2 . 206 . 1 1 4 TRP HD1 H 4.460 3.259 0.326 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HD1 . . . . . . . . . c25522_2n0e 1 . 2 . 207 . 1 1 4 TRP HE1 H 6.479 1.873 0.967 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HE1 . . . . . . . . . c25522_2n0e 1 . 2 . 208 . 1 1 4 TRP HE3 H 2.875 -1.121 -1.491 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HE3 . . . . . . . . . c25522_2n0e 1 . 2 . 209 . 1 1 4 TRP HH2 H 6.398 -2.887 -0.210 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HH2 . . . . . . . . . c25522_2n0e 1 . 2 . 210 . 1 1 4 TRP HZ2 H 7.182 -0.813 0.665 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HZ2 . . . . . . . . . c25522_2n0e 1 . 2 . 211 . 1 1 4 TRP HZ3 H 4.272 -3.036 -1.273 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HZ3 . . . . . . . . . c25522_2n0e 1 . 2 . 212 . 1 1 4 TRP N N 1.612 2.659 1.200 . . . 1.0 . . . . . . . . . . . . A . 4 TRP N . . . . . . . . . c25522_2n0e 1 . 2 . 213 . 1 1 4 TRP NE1 N 5.667 1.532 0.494 . . . 1.0 . . . . . . . . . . . . A . 4 TRP NE1 . . . . . . . . . c25522_2n0e 1 . 2 . 214 . 1 1 4 TRP O O -0.174 -0.054 -0.056 . . . 1.0 . . . . . . . . . . . . A . 4 TRP O . . . . . . . . . c25522_2n0e 1 . 2 . 215 . 1 1 5 ALA C C 0.096 -1.706 2.213 . . . 1.0 . . . . . . . . . . . . A . 5 ALA C . . . . . . . . . c25522_2n0e 1 . 2 . 216 . 1 1 5 ALA CA C 1.481 -1.538 1.600 . . . 1.0 . . . . . . . . . . . . A . 5 ALA CA . . . . . . . . . c25522_2n0e 1 . 2 . 217 . 1 1 5 ALA CB C 2.554 -1.969 2.588 . . . 1.0 . . . . . . . . . . . . A . 5 ALA CB . . . . . . . . . c25522_2n0e 1 . 2 . 218 . 1 1 5 ALA H H 2.521 0.320 1.497 . . . 1.0 . . . . . . . . . . . . A . 5 ALA H . . . . . . . . . c25522_2n0e 1 . 2 . 219 . 1 1 5 ALA HA H 1.543 -2.128 0.795 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HA . . . . . . . . . c25522_2n0e 1 . 2 . 220 . 1 1 5 ALA HB1 H 2.526 -1.371 3.389 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB1 . . . . . . . . . c25522_2n0e 1 . 2 . 221 . 1 1 5 ALA HB2 H 2.393 -2.914 2.872 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB2 . . . . . . . . . c25522_2n0e 1 . 2 . 222 . 1 1 5 ALA HB3 H 3.452 -1.900 2.152 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB3 . . . . . . . . . c25522_2n0e 1 . 2 . 223 . 1 1 5 ALA N N 1.705 -0.161 1.178 . . . 1.0 . . . . . . . . . . . . A . 5 ALA N . . . . . . . . . c25522_2n0e 1 . 2 . 224 . 1 1 5 ALA O O -0.494 -2.784 2.158 . . . 1.0 . . . . . . . . . . . . A . 5 ALA O . . . . . . . . . c25522_2n0e 1 . 2 . 225 . 1 1 6 VAL C C -2.787 -1.211 2.469 . . . 1.0 . . . . . . . . . . . . A . 6 VAL C . . . . . . . . . c25522_2n0e 1 . 2 . 226 . 1 1 6 VAL CA C -1.739 -0.656 3.425 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CA . . . . . . . . . c25522_2n0e 1 . 2 . 227 . 1 1 6 VAL CB C -2.169 0.747 3.888 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CB . . . . . . . . . c25522_2n0e 1 . 2 . 228 . 1 1 6 VAL CG1 C -1.216 1.277 4.947 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CG1 . . . . . . . . . c25522_2n0e 1 . 2 . 229 . 1 1 6 VAL CG2 C -2.243 1.698 2.702 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CG2 . . . . . . . . . c25522_2n0e 1 . 2 . 230 . 1 1 6 VAL H H 0.109 0.219 2.816 . . . 1.0 . . . . . . . . . . . . A . 6 VAL H . . . . . . . . . c25522_2n0e 1 . 2 . 231 . 1 1 6 VAL HA H -1.690 -1.270 4.213 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HA . . . . . . . . . c25522_2n0e 1 . 2 . 232 . 1 1 6 VAL HB H -3.072 0.664 4.309 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HB . . . . . . . . . c25522_2n0e 1 . 2 . 233 . 1 1 6 VAL HG11 H -0.291 1.336 4.572 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG11 . . . . . . . . . c25522_2n0e 1 . 2 . 234 . 1 1 6 VAL HG12 H -1.522 2.187 5.226 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG12 . . . . . . . . . c25522_2n0e 1 . 2 . 235 . 1 1 6 VAL HG13 H -1.216 0.667 5.740 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG13 . . . . . . . . . c25522_2n0e 1 . 2 . 236 . 1 1 6 VAL HG21 H -2.911 1.359 2.039 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG21 . . . . . . . . . c25522_2n0e 1 . 2 . 237 . 1 1 6 VAL HG22 H -2.524 2.602 3.026 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG22 . . . . . . . . . c25522_2n0e 1 . 2 . 238 . 1 1 6 VAL HG23 H -1.345 1.764 2.266 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG23 . . . . . . . . . c25522_2n0e 1 . 2 . 239 . 1 1 6 VAL N N -0.420 -0.629 2.801 . . . 1.0 . . . . . . . . . . . . A . 6 VAL N . . . . . . . . . c25522_2n0e 1 . 2 . 240 . 1 1 6 VAL O O -3.771 -1.816 2.892 . . . 1.0 . . . . . . . . . . . . A . 6 VAL O . . . . . . . . . c25522_2n0e 1 . 2 . 241 . 1 1 7 GLY C C -2.861 -2.430 -0.814 . . . 1.0 . . . . . . . . . . . . A . 7 GLY C . . . . . . . . . c25522_2n0e 1 . 2 . 242 . 1 1 7 GLY CA C -3.508 -1.483 0.177 . . . 1.0 . . . . . . . . . . . . A . 7 GLY CA . . . . . . . . . c25522_2n0e 1 . 2 . 243 . 1 1 7 GLY H H -1.757 -0.499 0.884 . . . 1.0 . . . . . . . . . . . . A . 7 GLY H . . . . . . . . . c25522_2n0e 1 . 2 . 244 . 1 1 7 GLY HA2 H -4.252 -1.964 0.641 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA2 . . . . . . . . . c25522_2n0e 1 . 2 . 245 . 1 1 7 GLY HA3 H -3.878 -0.700 -0.323 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA3 . . . . . . . . . c25522_2n0e 1 . 2 . 246 . 1 1 7 GLY N N -2.573 -0.999 1.174 . . . 1.0 . . . . . . . . . . . . A . 7 GLY N . . . . . . . . . c25522_2n0e 1 . 2 . 247 . 1 1 7 GLY O O -3.511 -3.342 -1.327 . . . 1.0 . . . . . . . . . . . . A . 7 GLY O . . . . . . . . . c25522_2n0e 1 . 2 . 248 . 1 1 8 HIS C C -0.468 -4.387 -1.380 . . . 1.0 . . . . . . . . . . . . A . 8 HIS C . . . . . . . . . c25522_2n0e 1 . 2 . 249 . 1 1 8 HIS CA C -0.843 -3.056 -2.023 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CA . . . . . . . . . c25522_2n0e 1 . 2 . 250 . 1 1 8 HIS CB C 0.414 -2.336 -2.509 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CB . . . . . . . . . c25522_2n0e 1 . 2 . 251 . 1 1 8 HIS CD2 C -0.615 -1.665 -4.796 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CD2 . . . . . . . . . c25522_2n0e 1 . 2 . 252 . 1 1 8 HIS CE1 C 1.216 -1.780 -5.993 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CE1 . . . . . . . . . c25522_2n0e 1 . 2 . 253 . 1 1 8 HIS CG C 0.413 -2.034 -3.982 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CG . . . . . . . . . c25522_2n0e 1 . 2 . 254 . 1 1 8 HIS H H -1.105 -1.456 -0.637 . . . 1.0 . . . . . . . . . . . . A . 8 HIS H . . . . . . . . . c25522_2n0e 1 . 2 . 255 . 1 1 8 HIS HA H -1.439 -3.246 -2.803 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HA . . . . . . . . . c25522_2n0e 1 . 2 . 256 . 1 1 8 HIS HB2 H 0.496 -1.472 -2.012 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HB2 . . . . . . . . . c25522_2n0e 1 . 2 . 257 . 1 1 8 HIS HB3 H 1.206 -2.912 -2.308 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HB3 . . . . . . . . . c25522_2n0e 1 . 2 . 258 . 1 1 8 HIS HD2 H -1.569 -1.532 -4.527 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HD2 . . . . . . . . . c25522_2n0e 1 . 2 . 259 . 1 1 8 HIS HE1 H 1.846 -1.745 -6.768 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HE1 . . . . . . . . . c25522_2n0e 1 . 2 . 260 . 1 1 8 HIS HE2 H -0.574 -1.242 -6.901 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HE2 . . . . . . . . . c25522_2n0e 1 . 2 . 261 . 1 1 8 HIS N N -1.578 -2.214 -1.086 . . . 1.0 . . . . . . . . . . . . A . 8 HIS N . . . . . . . . . c25522_2n0e 1 . 2 . 262 . 1 1 8 HIS ND1 N 1.560 -2.102 -4.755 . . . 1.0 . . . . . . . . . . . . A . 8 HIS ND1 . . . . . . . . . c25522_2n0e 1 . 2 . 263 . 1 1 8 HIS NE2 N -0.090 -1.508 -6.067 . . . 1.0 . . . . . . . . . . . . A . 8 HIS NE2 . . . . . . . . . c25522_2n0e 1 . 2 . 264 . 1 1 8 HIS O O -0.177 -5.364 -2.071 . . . 1.0 . . . . . . . . . . . . A . 8 HIS O . . . . . . . . . c25522_2n0e 1 . 2 . 265 . 1 1 9 LEU C C -1.282 -6.052 1.600 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . c25522_2n0e 1 . 2 . 266 . 1 1 9 LEU CA C -0.134 -5.630 0.687 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . c25522_2n0e 1 . 2 . 267 . 1 1 9 LEU CB C 1.134 -5.408 1.513 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . c25522_2n0e 1 . 2 . 268 . 1 1 9 LEU CD1 C 3.633 -5.330 1.700 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . c25522_2n0e 1 . 2 . 269 . 1 1 9 LEU CD2 C 2.543 -7.063 0.264 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . c25522_2n0e 1 . 2 . 270 . 1 1 9 LEU CG C 2.459 -5.635 0.783 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . c25522_2n0e 1 . 2 . 271 . 1 1 9 LEU H H -0.723 -3.593 0.455 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . c25522_2n0e 1 . 2 . 272 . 1 1 9 LEU HA H 0.027 -6.364 0.027 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . c25522_2n0e 1 . 2 . 273 . 1 1 9 LEU HB2 H 1.124 -4.464 1.841 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . c25522_2n0e 1 . 2 . 274 . 1 1 9 LEU HB3 H 1.105 -6.032 2.293 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . c25522_2n0e 1 . 2 . 275 . 1 1 9 LEU HD11 H 3.586 -4.376 1.997 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . c25522_2n0e 1 . 2 . 276 . 1 1 9 LEU HD12 H 3.597 -5.930 2.499 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . c25522_2n0e 1 . 2 . 277 . 1 1 9 LEU HD13 H 4.489 -5.484 1.206 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . c25522_2n0e 1 . 2 . 278 . 1 1 9 LEU HD21 H 2.476 -7.695 1.036 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . c25522_2n0e 1 . 2 . 279 . 1 1 9 LEU HD22 H 1.784 -7.226 -0.366 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . c25522_2n0e 1 . 2 . 280 . 1 1 9 LEU HD23 H 3.410 -7.210 -0.213 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . c25522_2n0e 1 . 2 . 281 . 1 1 9 LEU HG H 2.500 -5.034 -0.015 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . c25522_2n0e 1 . 2 . 282 . 1 1 9 LEU N N -0.476 -4.419 -0.051 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . c25522_2n0e 1 . 2 . 283 . 1 1 9 LEU O O -1.978 -7.028 1.325 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . c25522_2n0e 1 . 2 . 284 . 1 1 10 MET C C -3.780 -4.772 3.337 . . . 1.0 . . . . . . . . . . . . A . 10 MET C . . . . . . . . . c25522_2n0e 1 . 2 . 285 . 1 1 10 MET CA C -2.537 -5.605 3.636 . . . 1.0 . . . . . . . . . . . . A . 10 MET CA . . . . . . . . . c25522_2n0e 1 . 2 . 286 . 1 1 10 MET CB C -2.062 -5.339 5.065 . . . 1.0 . . . . . . . . . . . . A . 10 MET CB . . . . . . . . . c25522_2n0e 1 . 2 . 287 . 1 1 10 MET CE C 0.461 -2.672 6.152 . . . 1.0 . . . . . . . . . . . . A . 10 MET CE . . . . . . . . . c25522_2n0e 1 . 2 . 288 . 1 1 10 MET CG C -1.924 -3.861 5.395 . . . 1.0 . . . . . . . . . . . . A . 10 MET CG . . . . . . . . . c25522_2n0e 1 . 2 . 289 . 1 1 10 MET H H -0.870 -4.528 2.853 . . . 1.0 . . . . . . . . . . . . A . 10 MET H . . . . . . . . . c25522_2n0e 1 . 2 . 290 . 1 1 10 MET HA H -2.782 -6.569 3.531 . . . 1.0 . . . . . . . . . . . . A . 10 MET HA . . . . . . . . . c25522_2n0e 1 . 2 . 291 . 1 1 10 MET HB2 H -2.721 -5.744 5.699 . . . 1.0 . . . . . . . . . . . . A . 10 MET HB2 . . . . . . . . . c25522_2n0e 1 . 2 . 292 . 1 1 10 MET HB3 H -1.170 -5.775 5.189 . . . 1.0 . . . . . . . . . . . . A . 10 MET HB3 . . . . . . . . . c25522_2n0e 1 . 2 . 293 . 1 1 10 MET HE1 H 0.906 -3.246 5.464 . . . 1.0 . . . . . . . . . . . . A . 10 MET HE1 . . . . . . . . . c25522_2n0e 1 . 2 . 294 . 1 1 10 MET HE2 H 0.122 -1.836 5.720 . . . 1.0 . . . . . . . . . . . . A . 10 MET HE2 . . . . . . . . . c25522_2n0e 1 . 2 . 295 . 1 1 10 MET HE3 H 1.120 -2.435 6.866 . . . 1.0 . . . . . . . . . . . . A . 10 MET HE3 . . . . . . . . . c25522_2n0e 1 . 2 . 296 . 1 1 10 MET HG2 H -1.501 -3.402 4.613 . . . 1.0 . . . . . . . . . . . . A . 10 MET HG2 . . . . . . . . . c25522_2n0e 1 . 2 . 297 . 1 1 10 MET HG3 H -2.838 -3.486 5.547 . . . 1.0 . . . . . . . . . . . . A . 10 MET HG3 . . . . . . . . . c25522_2n0e 1 . 2 . 298 . 1 1 10 MET N N -1.472 -5.309 2.685 . . . 1.0 . . . . . . . . . . . . A . 10 MET N . . . . . . . . . c25522_2n0e 1 . 2 . 299 . 1 1 10 MET O O -4.867 -5.312 3.131 . . . 1.0 . . . . . . . . . . . . A . 10 MET O . . . . . . . . . c25522_2n0e 1 . 2 . 300 . 1 1 10 MET SD S -0.918 -3.568 6.862 . . . 1.0 . . . . . . . . . . . . A . 10 MET SD . . . . . . . . . c25522_2n0e 1 . 3 . 301 . 1 1 1 GLY C C -0.428 9.638 3.652 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c25522_2n0e 1 . 3 . 302 . 1 1 1 GLY CA C -0.670 10.943 2.920 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c25522_2n0e 1 . 3 . 303 . 1 1 1 GLY H1 H 0.136 10.390 1.154 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c25522_2n0e 1 . 3 . 304 . 1 1 1 GLY H2 H 0.047 12.007 1.362 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H2 . . . . . . . . . c25522_2n0e 1 . 3 . 305 . 1 1 1 GLY H3 H 1.186 11.144 2.153 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H3 . . . . . . . . . c25522_2n0e 1 . 3 . 306 . 1 1 1 GLY HA2 H -0.556 11.699 3.565 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c25522_2n0e 1 . 3 . 307 . 1 1 1 GLY HA3 H -1.606 10.944 2.567 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c25522_2n0e 1 . 3 . 308 . 1 1 1 GLY N N 0.246 11.136 1.811 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c25522_2n0e 1 . 3 . 309 . 1 1 1 GLY O O 0.291 9.601 4.648 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c25522_2n0e 1 . 3 . 310 . 1 1 2 ASN C C 0.190 6.434 3.056 . . . 1.0 . . . . . . . . . . . . A . 2 ASN C . . . . . . . . . c25522_2n0e 1 . 3 . 311 . 1 1 2 ASN CA C -0.883 7.250 3.772 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CA . . . . . . . . . c25522_2n0e 1 . 3 . 312 . 1 1 2 ASN CB C -2.214 6.495 3.746 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CB . . . . . . . . . c25522_2n0e 1 . 3 . 313 . 1 1 2 ASN CG C -3.052 6.759 4.983 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CG . . . . . . . . . c25522_2n0e 1 . 3 . 314 . 1 1 2 ASN H H -1.607 8.658 2.343 . . . 1.0 . . . . . . . . . . . . A . 2 ASN H . . . . . . . . . c25522_2n0e 1 . 3 . 315 . 1 1 2 ASN HA H -0.556 7.403 4.705 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HA . . . . . . . . . c25522_2n0e 1 . 3 . 316 . 1 1 2 ASN HB2 H -2.731 6.783 2.940 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HB2 . . . . . . . . . c25522_2n0e 1 . 3 . 317 . 1 1 2 ASN HB3 H -2.026 5.515 3.688 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HB3 . . . . . . . . . c25522_2n0e 1 . 3 . 318 . 1 1 2 ASN HD21 H -1.659 5.883 6.160 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HD21 . . . . . . . . . c25522_2n0e 1 . 3 . 319 . 1 1 2 ASN HD22 H -3.054 6.490 6.988 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HD22 . . . . . . . . . c25522_2n0e 1 . 3 . 320 . 1 1 2 ASN N N -1.034 8.563 3.157 . . . 1.0 . . . . . . . . . . . . A . 2 ASN N . . . . . . . . . c25522_2n0e 1 . 3 . 321 . 1 1 2 ASN ND2 N -2.547 6.343 6.139 . . . 1.0 . . . . . . . . . . . . A . 2 ASN ND2 . . . . . . . . . c25522_2n0e 1 . 3 . 322 . 1 1 2 ASN O O 0.793 6.896 2.088 . . . 1.0 . . . . . . . . . . . . A . 2 ASN O . . . . . . . . . c25522_2n0e 1 . 3 . 323 . 1 1 2 ASN OD1 O -4.138 7.330 4.899 . . . 1.0 . . . . . . . . . . . . A . 2 ASN OD1 . . . . . . . . . c25522_2n0e 1 . 3 . 324 . 1 1 3 HIS C C 0.863 3.636 1.710 . . . 1.0 . . . . . . . . . . . . A . 3 HIS C . . . . . . . . . c25522_2n0e 1 . 3 . 325 . 1 1 3 HIS CA C 1.421 4.336 2.945 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CA . . . . . . . . . c25522_2n0e 1 . 3 . 326 . 1 1 3 HIS CB C 1.889 3.296 3.965 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CB . . . . . . . . . c25522_2n0e 1 . 3 . 327 . 1 1 3 HIS CD2 C 4.229 2.281 3.485 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CD2 . . . . . . . . . c25522_2n0e 1 . 3 . 328 . 1 1 3 HIS CE1 C 5.414 3.674 4.688 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CE1 . . . . . . . . . c25522_2n0e 1 . 3 . 329 . 1 1 3 HIS CG C 3.385 3.180 4.062 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CG . . . . . . . . . c25522_2n0e 1 . 3 . 330 . 1 1 3 HIS H H -0.101 4.898 4.331 . . . 1.0 . . . . . . . . . . . . A . 3 HIS H . . . . . . . . . c25522_2n0e 1 . 3 . 331 . 1 1 3 HIS HA H 2.198 4.897 2.659 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HA . . . . . . . . . c25522_2n0e 1 . 3 . 332 . 1 1 3 HIS HB2 H 1.534 3.551 4.864 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HB2 . . . . . . . . . c25522_2n0e 1 . 3 . 333 . 1 1 3 HIS HB3 H 1.520 2.404 3.702 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HB3 . . . . . . . . . c25522_2n0e 1 . 3 . 334 . 1 1 3 HIS HD2 H 3.972 1.527 2.881 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HD2 . . . . . . . . . c25522_2n0e 1 . 3 . 335 . 1 1 3 HIS HE1 H 6.191 4.125 5.126 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HE1 . . . . . . . . . c25522_2n0e 1 . 3 . 336 . 1 1 3 HIS HE2 H 6.364 2.147 3.648 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HE2 . . . . . . . . . c25522_2n0e 1 . 3 . 337 . 1 1 3 HIS N N 0.422 5.217 3.540 . . . 1.0 . . . . . . . . . . . . A . 3 HIS N . . . . . . . . . c25522_2n0e 1 . 3 . 338 . 1 1 3 HIS ND1 N 4.151 4.052 4.818 . . . 1.0 . . . . . . . . . . . . A . 3 HIS ND1 . . . . . . . . . c25522_2n0e 1 . 3 . 339 . 1 1 3 HIS NE2 N 5.510 2.607 3.891 . . . 1.0 . . . . . . . . . . . . A . 3 HIS NE2 . . . . . . . . . c25522_2n0e 1 . 3 . 340 . 1 1 3 HIS O O -0.218 3.976 1.229 . . . 1.0 . . . . . . . . . . . . A . 3 HIS O . . . . . . . . . c25522_2n0e 1 . 3 . 341 . 1 1 4 TRP C C 0.839 0.475 0.384 . . . 1.0 . . . . . . . . . . . . A . 4 TRP C . . . . . . . . . c25522_2n0e 1 . 3 . 342 . 1 1 4 TRP CA C 1.186 1.914 0.022 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CA . . . . . . . . . c25522_2n0e 1 . 3 . 343 . 1 1 4 TRP CB C 2.286 1.935 -1.040 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CB . . . . . . . . . c25522_2n0e 1 . 3 . 344 . 1 1 4 TRP CD1 C 4.558 2.278 0.097 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CD1 . . . . . . . . . c25522_2n0e 1 . 3 . 345 . 1 1 4 TRP CD2 C 4.171 0.177 -0.571 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CD2 . . . . . . . . . c25522_2n0e 1 . 3 . 346 . 1 1 4 TRP CE2 C 5.443 0.229 0.032 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CE2 . . . . . . . . . c25522_2n0e 1 . 3 . 347 . 1 1 4 TRP CE3 C 3.711 -1.046 -1.069 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CE3 . . . . . . . . . c25522_2n0e 1 . 3 . 348 . 1 1 4 TRP CG C 3.622 1.497 -0.520 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CG . . . . . . . . . c25522_2n0e 1 . 3 . 349 . 1 1 4 TRP CH2 C 5.783 -2.078 -0.345 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CH2 . . . . . . . . . c25522_2n0e 1 . 3 . 350 . 1 1 4 TRP CZ2 C 6.258 -0.894 0.151 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CZ2 . . . . . . . . . c25522_2n0e 1 . 3 . 351 . 1 1 4 TRP CZ3 C 4.521 -2.160 -0.951 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CZ3 . . . . . . . . . c25522_2n0e 1 . 3 . 352 . 1 1 4 TRP H H 2.476 2.433 1.639 . . . 1.0 . . . . . . . . . . . . A . 4 TRP H . . . . . . . . . c25522_2n0e 1 . 3 . 353 . 1 1 4 TRP HA H 0.352 2.344 -0.323 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HA . . . . . . . . . c25522_2n0e 1 . 3 . 354 . 1 1 4 TRP HB2 H 2.022 1.323 -1.785 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HB2 . . . . . . . . . c25522_2n0e 1 . 3 . 355 . 1 1 4 TRP HB3 H 2.374 2.868 -1.390 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HB3 . . . . . . . . . c25522_2n0e 1 . 3 . 356 . 1 1 4 TRP HD1 H 4.459 3.256 0.279 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HD1 . . . . . . . . . c25522_2n0e 1 . 3 . 357 . 1 1 4 TRP HE1 H 6.476 1.861 0.891 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HE1 . . . . . . . . . c25522_2n0e 1 . 3 . 358 . 1 1 4 TRP HE3 H 2.813 -1.115 -1.503 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HE3 . . . . . . . . . c25522_2n0e 1 . 3 . 359 . 1 1 4 TRP HH2 H 6.345 -2.902 -0.275 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HH2 . . . . . . . . . c25522_2n0e 1 . 3 . 360 . 1 1 4 TRP HZ2 H 7.157 -0.833 0.584 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HZ2 . . . . . . . . . c25522_2n0e 1 . 3 . 361 . 1 1 4 TRP HZ3 H 4.201 -3.039 -1.304 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HZ3 . . . . . . . . . c25522_2n0e 1 . 3 . 362 . 1 1 4 TRP N N 1.606 2.661 1.202 . . . 1.0 . . . . . . . . . . . . A . 4 TRP N . . . . . . . . . c25522_2n0e 1 . 3 . 363 . 1 1 4 TRP NE1 N 5.655 1.523 0.431 . . . 1.0 . . . . . . . . . . . . A . 4 TRP NE1 . . . . . . . . . c25522_2n0e 1 . 3 . 364 . 1 1 4 TRP O O -0.183 -0.056 -0.051 . . . 1.0 . . . . . . . . . . . . A . 4 TRP O . . . . . . . . . c25522_2n0e 1 . 3 . 365 . 1 1 5 ALA C C 0.091 -1.706 2.216 . . . 1.0 . . . . . . . . . . . . A . 5 ALA C . . . . . . . . . c25522_2n0e 1 . 3 . 366 . 1 1 5 ALA CA C 1.478 -1.531 1.604 . . . 1.0 . . . . . . . . . . . . A . 5 ALA CA . . . . . . . . . c25522_2n0e 1 . 3 . 367 . 1 1 5 ALA CB C 2.551 -1.957 2.594 . . . 1.0 . . . . . . . . . . . . A . 5 ALA CB . . . . . . . . . c25522_2n0e 1 . 3 . 368 . 1 1 5 ALA H H 2.509 0.331 1.501 . . . 1.0 . . . . . . . . . . . . A . 5 ALA H . . . . . . . . . c25522_2n0e 1 . 3 . 369 . 1 1 5 ALA HA H 1.544 -2.121 0.800 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HA . . . . . . . . . c25522_2n0e 1 . 3 . 370 . 1 1 5 ALA HB1 H 2.518 -1.359 3.395 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB1 . . . . . . . . . c25522_2n0e 1 . 3 . 371 . 1 1 5 ALA HB2 H 2.394 -2.903 2.878 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB2 . . . . . . . . . c25522_2n0e 1 . 3 . 372 . 1 1 5 ALA HB3 H 3.449 -1.884 2.160 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB3 . . . . . . . . . c25522_2n0e 1 . 3 . 373 . 1 1 5 ALA N N 1.695 -0.154 1.182 . . . 1.0 . . . . . . . . . . . . A . 5 ALA N . . . . . . . . . c25522_2n0e 1 . 3 . 374 . 1 1 5 ALA O O -0.493 -2.788 2.157 . . . 1.0 . . . . . . . . . . . . A . 5 ALA O . . . . . . . . . c25522_2n0e 1 . 3 . 375 . 1 1 6 VAL C C -2.793 -1.224 2.467 . . . 1.0 . . . . . . . . . . . . A . 6 VAL C . . . . . . . . . c25522_2n0e 1 . 3 . 376 . 1 1 6 VAL CA C -1.749 -0.667 3.426 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CA . . . . . . . . . c25522_2n0e 1 . 3 . 377 . 1 1 6 VAL CB C -2.185 0.733 3.890 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CB . . . . . . . . . c25522_2n0e 1 . 3 . 378 . 1 1 6 VAL CG1 C -1.233 1.268 4.948 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CG1 . . . . . . . . . c25522_2n0e 1 . 3 . 379 . 1 1 6 VAL CG2 C -2.269 1.684 2.705 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CG2 . . . . . . . . . c25522_2n0e 1 . 3 . 380 . 1 1 6 VAL H H 0.095 0.218 2.820 . . . 1.0 . . . . . . . . . . . . A . 6 VAL H . . . . . . . . . c25522_2n0e 1 . 3 . 381 . 1 1 6 VAL HA H -1.699 -1.283 4.212 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HA . . . . . . . . . c25522_2n0e 1 . 3 . 382 . 1 1 6 VAL HB H -3.087 0.645 4.313 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HB . . . . . . . . . c25522_2n0e 1 . 3 . 383 . 1 1 6 VAL HG11 H -0.309 1.332 4.572 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG11 . . . . . . . . . c25522_2n0e 1 . 3 . 384 . 1 1 6 VAL HG12 H -1.543 2.177 5.228 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG12 . . . . . . . . . c25522_2n0e 1 . 3 . 385 . 1 1 6 VAL HG13 H -1.229 0.658 5.741 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG13 . . . . . . . . . c25522_2n0e 1 . 3 . 386 . 1 1 6 VAL HG21 H -2.937 1.341 2.045 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG21 . . . . . . . . . c25522_2n0e 1 . 3 . 387 . 1 1 6 VAL HG22 H -2.554 2.586 3.030 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG22 . . . . . . . . . c25522_2n0e 1 . 3 . 388 . 1 1 6 VAL HG23 H -1.373 1.755 2.266 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG23 . . . . . . . . . c25522_2n0e 1 . 3 . 389 . 1 1 6 VAL N N -0.430 -0.633 2.804 . . . 1.0 . . . . . . . . . . . . A . 6 VAL N . . . . . . . . . c25522_2n0e 1 . 3 . 390 . 1 1 6 VAL O O -3.776 -1.835 2.888 . . . 1.0 . . . . . . . . . . . . A . 6 VAL O . . . . . . . . . c25522_2n0e 1 . 3 . 391 . 1 1 7 GLY C C -2.858 -2.443 -0.816 . . . 1.0 . . . . . . . . . . . . A . 7 GLY C . . . . . . . . . c25522_2n0e 1 . 3 . 392 . 1 1 7 GLY CA C -3.510 -1.497 0.173 . . . 1.0 . . . . . . . . . . . . A . 7 GLY CA . . . . . . . . . c25522_2n0e 1 . 3 . 393 . 1 1 7 GLY H H -1.763 -0.505 0.885 . . . 1.0 . . . . . . . . . . . . A . 7 GLY H . . . . . . . . . c25522_2n0e 1 . 3 . 394 . 1 1 7 GLY HA2 H -4.253 -1.979 0.636 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA2 . . . . . . . . . c25522_2n0e 1 . 3 . 395 . 1 1 7 GLY HA3 H -3.881 -0.715 -0.328 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA3 . . . . . . . . . c25522_2n0e 1 . 3 . 396 . 1 1 7 GLY N N -2.577 -1.009 1.173 . . . 1.0 . . . . . . . . . . . . A . 7 GLY N . . . . . . . . . c25522_2n0e 1 . 3 . 397 . 1 1 7 GLY O O -3.501 -3.363 -1.322 . . . 1.0 . . . . . . . . . . . . A . 7 GLY O . . . . . . . . . c25522_2n0e 1 . 3 . 398 . 1 1 8 HIS C C -0.459 -4.386 -1.384 . . . 1.0 . . . . . . . . . . . . A . 8 HIS C . . . . . . . . . c25522_2n0e 1 . 3 . 399 . 1 1 8 HIS CA C -0.839 -3.056 -2.029 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CA . . . . . . . . . c25522_2n0e 1 . 3 . 400 . 1 1 8 HIS CB C 0.416 -2.332 -2.513 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CB . . . . . . . . . c25522_2n0e 1 . 3 . 401 . 1 1 8 HIS CD2 C -0.601 -1.603 -4.790 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CD2 . . . . . . . . . c25522_2n0e 1 . 3 . 402 . 1 1 8 HIS CE1 C 1.205 -1.818 -6.008 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CE1 . . . . . . . . . c25522_2n0e 1 . 3 . 403 . 1 1 8 HIS CG C 0.414 -2.029 -3.986 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CG . . . . . . . . . c25522_2n0e 1 . 3 . 404 . 1 1 8 HIS H H -1.109 -1.453 -0.649 . . . 1.0 . . . . . . . . . . . . A . 8 HIS H . . . . . . . . . c25522_2n0e 1 . 3 . 405 . 1 1 8 HIS HA H -1.434 -3.249 -2.809 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HA . . . . . . . . . c25522_2n0e 1 . 3 . 406 . 1 1 8 HIS HB2 H 0.495 -1.468 -2.015 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HB2 . . . . . . . . . c25522_2n0e 1 . 3 . 407 . 1 1 8 HIS HB3 H 1.210 -2.906 -2.312 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HB3 . . . . . . . . . c25522_2n0e 1 . 3 . 408 . 1 1 8 HIS HD2 H -1.543 -1.418 -4.510 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HD2 . . . . . . . . . c25522_2n0e 1 . 3 . 409 . 1 1 8 HIS HE1 H 1.827 -1.818 -6.791 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HE1 . . . . . . . . . c25522_2n0e 1 . 3 . 410 . 1 1 8 HIS HE2 H -0.565 -1.180 -6.892 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HE2 . . . . . . . . . c25522_2n0e 1 . 3 . 411 . 1 1 8 HIS N N -1.577 -2.217 -1.093 . . . 1.0 . . . . . . . . . . . . A . 8 HIS N . . . . . . . . . c25522_2n0e 1 . 3 . 412 . 1 1 8 HIS ND1 N 1.546 -2.159 -4.773 . . . 1.0 . . . . . . . . . . . . A . 8 HIS ND1 . . . . . . . . . c25522_2n0e 1 . 3 . 413 . 1 1 8 HIS NE2 N -0.085 -1.474 -6.065 . . . 1.0 . . . . . . . . . . . . A . 8 HIS NE2 . . . . . . . . . c25522_2n0e 1 . 3 . 414 . 1 1 8 HIS O O -0.166 -5.362 -2.076 . . . 1.0 . . . . . . . . . . . . A . 8 HIS O . . . . . . . . . c25522_2n0e 1 . 3 . 415 . 1 1 9 LEU C C -1.263 -6.050 1.598 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . c25522_2n0e 1 . 3 . 416 . 1 1 9 LEU CA C -0.118 -5.625 0.683 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . c25522_2n0e 1 . 3 . 417 . 1 1 9 LEU CB C 1.150 -5.399 1.507 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . c25522_2n0e 1 . 3 . 418 . 1 1 9 LEU CD1 C 3.649 -5.311 1.691 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . c25522_2n0e 1 . 3 . 419 . 1 1 9 LEU CD2 C 2.563 -7.048 0.256 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . c25522_2n0e 1 . 3 . 420 . 1 1 9 LEU CG C 2.474 -5.620 0.775 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . c25522_2n0e 1 . 3 . 421 . 1 1 9 LEU H H -0.711 -3.589 0.450 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . c25522_2n0e 1 . 3 . 422 . 1 1 9 LEU HA H 0.044 -6.359 0.024 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . c25522_2n0e 1 . 3 . 423 . 1 1 9 LEU HB2 H 1.137 -4.455 1.836 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . c25522_2n0e 1 . 3 . 424 . 1 1 9 LEU HB3 H 1.124 -6.024 2.287 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . c25522_2n0e 1 . 3 . 425 . 1 1 9 LEU HD11 H 3.599 -4.358 1.988 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . c25522_2n0e 1 . 3 . 426 . 1 1 9 LEU HD12 H 3.616 -5.912 2.490 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . c25522_2n0e 1 . 3 . 427 . 1 1 9 LEU HD13 H 4.505 -5.461 1.196 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . c25522_2n0e 1 . 3 . 428 . 1 1 9 LEU HD21 H 1.803 -7.214 -0.373 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . c25522_2n0e 1 . 3 . 429 . 1 1 9 LEU HD22 H 3.429 -7.191 -0.223 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . c25522_2n0e 1 . 3 . 430 . 1 1 9 LEU HD23 H 2.500 -7.680 1.029 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . c25522_2n0e 1 . 3 . 431 . 1 1 9 LEU HG H 2.512 -5.018 -0.023 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . c25522_2n0e 1 . 3 . 432 . 1 1 9 LEU N N -0.464 -4.416 -0.056 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . c25522_2n0e 1 . 3 . 433 . 1 1 9 LEU O O -1.969 -7.017 1.316 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . c25522_2n0e 1 . 3 . 434 . 1 1 10 MET C C -3.790 -4.888 3.274 . . . 1.0 . . . . . . . . . . . . A . 10 MET C . . . . . . . . . c25522_2n0e 1 . 3 . 435 . 1 1 10 MET CA C -2.503 -5.617 3.647 . . . 1.0 . . . . . . . . . . . . A . 10 MET CA . . . . . . . . . c25522_2n0e 1 . 3 . 436 . 1 1 10 MET CB C -2.072 -5.224 5.061 . . . 1.0 . . . . . . . . . . . . A . 10 MET CB . . . . . . . . . c25522_2n0e 1 . 3 . 437 . 1 1 10 MET CE C 0.844 -3.565 5.846 . . . 1.0 . . . . . . . . . . . . A . 10 MET CE . . . . . . . . . c25522_2n0e 1 . 3 . 438 . 1 1 10 MET CG C -1.855 -3.730 5.237 . . . 1.0 . . . . . . . . . . . . A . 10 MET CG . . . . . . . . . c25522_2n0e 1 . 3 . 439 . 1 1 10 MET H H -0.833 -4.542 2.867 . . . 1.0 . . . . . . . . . . . . A . 10 MET H . . . . . . . . . c25522_2n0e 1 . 3 . 440 . 1 1 10 MET HA H -2.685 -6.599 3.604 . . . 1.0 . . . . . . . . . . . . A . 10 MET HA . . . . . . . . . c25522_2n0e 1 . 3 . 441 . 1 1 10 MET HB2 H -2.781 -5.518 5.702 . . . 1.0 . . . . . . . . . . . . A . 10 MET HB2 . . . . . . . . . c25522_2n0e 1 . 3 . 442 . 1 1 10 MET HB3 H -1.216 -5.695 5.274 . . . 1.0 . . . . . . . . . . . . A . 10 MET HB3 . . . . . . . . . c25522_2n0e 1 . 3 . 443 . 1 1 10 MET HE1 H 0.924 -4.506 5.516 . . . 1.0 . . . . . . . . . . . . A . 10 MET HE1 . . . . . . . . . c25522_2n0e 1 . 3 . 444 . 1 1 10 MET HE2 H 0.927 -2.933 5.075 . . . 1.0 . . . . . . . . . . . . A . 10 MET HE2 . . . . . . . . . c25522_2n0e 1 . 3 . 445 . 1 1 10 MET HE3 H 1.571 -3.381 6.507 . . . 1.0 . . . . . . . . . . . . A . 10 MET HE3 . . . . . . . . . c25522_2n0e 1 . 3 . 446 . 1 1 10 MET HG2 H -1.457 -3.368 4.394 . . . 1.0 . . . . . . . . . . . . A . 10 MET HG2 . . . . . . . . . c25522_2n0e 1 . 3 . 447 . 1 1 10 MET HG3 H -2.743 -3.300 5.398 . . . 1.0 . . . . . . . . . . . . A . 10 MET HG3 . . . . . . . . . c25522_2n0e 1 . 3 . 448 . 1 1 10 MET N N -1.441 -5.317 2.693 . . . 1.0 . . . . . . . . . . . . A . 10 MET N . . . . . . . . . c25522_2n0e 1 . 3 . 449 . 1 1 10 MET O O -3.917 -4.355 2.171 . . . 1.0 . . . . . . . . . . . . A . 10 MET O . . . . . . . . . c25522_2n0e 1 . 3 . 450 . 1 1 10 MET SD S -0.758 -3.346 6.616 . . . 1.0 . . . . . . . . . . . . A . 10 MET SD . . . . . . . . . c25522_2n0e 1 . 4 . 451 . 1 1 1 GLY C C -0.848 9.655 3.906 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c25522_2n0e 1 . 4 . 452 . 1 1 1 GLY CA C -1.035 10.967 3.172 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c25522_2n0e 1 . 4 . 453 . 1 1 1 GLY H1 H 0.848 11.652 3.406 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c25522_2n0e 1 . 4 . 454 . 1 1 1 GLY H2 H -0.244 12.821 3.076 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H2 . . . . . . . . . c25522_2n0e 1 . 4 . 455 . 1 1 1 GLY H3 H -0.186 12.154 4.565 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H3 . . . . . . . . . c25522_2n0e 1 . 4 . 456 . 1 1 1 GLY HA2 H -1.959 11.306 3.351 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c25522_2n0e 1 . 4 . 457 . 1 1 1 GLY HA3 H -0.924 10.805 2.192 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c25522_2n0e 1 . 4 . 458 . 1 1 1 GLY N N -0.080 11.977 3.587 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c25522_2n0e 1 . 4 . 459 . 1 1 1 GLY O O -0.524 9.641 5.093 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c25522_2n0e 1 . 4 . 460 . 1 1 2 ASN C C 0.173 6.424 3.081 . . . 1.0 . . . . . . . . . . . . A . 2 ASN C . . . . . . . . . c25522_2n0e 1 . 4 . 461 . 1 1 2 ASN CA C -0.913 7.224 3.795 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CA . . . . . . . . . c25522_2n0e 1 . 4 . 462 . 1 1 2 ASN CB C -2.242 6.468 3.737 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CB . . . . . . . . . c25522_2n0e 1 . 4 . 463 . 1 1 2 ASN CG C -3.094 6.701 4.968 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CG . . . . . . . . . c25522_2n0e 1 . 4 . 464 . 1 1 2 ASN H H -1.319 8.625 2.238 . . . 1.0 . . . . . . . . . . . . A . 2 ASN H . . . . . . . . . c25522_2n0e 1 . 4 . 465 . 1 1 2 ASN HA H -0.601 7.361 4.735 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HA . . . . . . . . . c25522_2n0e 1 . 4 . 466 . 1 1 2 ASN HB2 H -2.750 6.774 2.932 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HB2 . . . . . . . . . c25522_2n0e 1 . 4 . 467 . 1 1 2 ASN HB3 H -2.051 5.490 3.659 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HB3 . . . . . . . . . c25522_2n0e 1 . 4 . 468 . 1 1 2 ASN HD21 H -3.032 8.703 4.681 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HD21 . . . . . . . . . c25522_2n0e 1 . 4 . 469 . 1 1 2 ASN HD22 H -3.935 8.179 6.064 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HD22 . . . . . . . . . c25522_2n0e 1 . 4 . 470 . 1 1 2 ASN N N -1.057 8.548 3.200 . . . 1.0 . . . . . . . . . . . . A . 2 ASN N . . . . . . . . . c25522_2n0e 1 . 4 . 471 . 1 1 2 ASN ND2 N -3.377 7.965 5.262 . . . 1.0 . . . . . . . . . . . . A . 2 ASN ND2 . . . . . . . . . c25522_2n0e 1 . 4 . 472 . 1 1 2 ASN O O 0.795 6.907 2.134 . . . 1.0 . . . . . . . . . . . . A . 2 ASN O . . . . . . . . . c25522_2n0e 1 . 4 . 473 . 1 1 2 ASN OD1 O -3.493 5.756 5.649 . . . 1.0 . . . . . . . . . . . . A . 2 ASN OD1 . . . . . . . . . c25522_2n0e 1 . 4 . 474 . 1 1 3 HIS C C 0.853 3.622 1.711 . . . 1.0 . . . . . . . . . . . . A . 3 HIS C . . . . . . . . . c25522_2n0e 1 . 4 . 475 . 1 1 3 HIS CA C 1.403 4.327 2.946 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CA . . . . . . . . . c25522_2n0e 1 . 4 . 476 . 1 1 3 HIS CB C 1.883 3.292 3.966 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CB . . . . . . . . . c25522_2n0e 1 . 4 . 477 . 1 1 3 HIS CD2 C 4.250 2.332 3.503 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CD2 . . . . . . . . . c25522_2n0e 1 . 4 . 478 . 1 1 3 HIS CE1 C 5.391 3.745 4.729 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CE1 . . . . . . . . . c25522_2n0e 1 . 4 . 479 . 1 1 3 HIS CG C 3.380 3.209 4.078 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CG . . . . . . . . . c25522_2n0e 1 . 4 . 480 . 1 1 3 HIS H H -0.144 4.861 4.315 . . . 1.0 . . . . . . . . . . . . A . 3 HIS H . . . . . . . . . c25522_2n0e 1 . 4 . 481 . 1 1 3 HIS HA H 2.173 4.897 2.660 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HA . . . . . . . . . c25522_2n0e 1 . 4 . 482 . 1 1 3 HIS HB2 H 1.513 3.534 4.863 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HB2 . . . . . . . . . c25522_2n0e 1 . 4 . 483 . 1 1 3 HIS HB3 H 1.537 2.394 3.694 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HB3 . . . . . . . . . c25522_2n0e 1 . 4 . 484 . 1 1 3 HIS HD2 H 4.016 1.576 2.891 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HD2 . . . . . . . . . c25522_2n0e 1 . 4 . 485 . 1 1 3 HIS HE1 H 6.153 4.211 5.179 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HE1 . . . . . . . . . c25522_2n0e 1 . 4 . 486 . 1 1 3 HIS HE2 H 6.389 2.247 3.691 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HE2 . . . . . . . . . c25522_2n0e 1 . 4 . 487 . 1 1 3 HIS N N 0.394 5.196 3.542 . . . 1.0 . . . . . . . . . . . . A . 3 HIS N . . . . . . . . . c25522_2n0e 1 . 4 . 488 . 1 1 3 HIS ND1 N 4.118 4.093 4.847 . . . 1.0 . . . . . . . . . . . . A . 3 HIS ND1 . . . . . . . . . c25522_2n0e 1 . 4 . 489 . 1 1 3 HIS NE2 N 5.521 2.685 3.926 . . . 1.0 . . . . . . . . . . . . A . 3 HIS NE2 . . . . . . . . . c25522_2n0e 1 . 4 . 490 . 1 1 3 HIS O O -0.236 3.944 1.233 . . . 1.0 . . . . . . . . . . . . A . 3 HIS O . . . . . . . . . c25522_2n0e 1 . 4 . 491 . 1 1 4 TRP C C 0.847 0.472 0.380 . . . 1.0 . . . . . . . . . . . . A . 4 TRP C . . . . . . . . . c25522_2n0e 1 . 4 . 492 . 1 1 4 TRP CA C 1.199 1.910 0.016 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CA . . . . . . . . . c25522_2n0e 1 . 4 . 493 . 1 1 4 TRP CB C 2.309 1.927 -1.036 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CB . . . . . . . . . c25522_2n0e 1 . 4 . 494 . 1 1 4 TRP CD1 C 4.563 2.275 0.132 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CD1 . . . . . . . . . c25522_2n0e 1 . 4 . 495 . 1 1 4 TRP CD2 C 4.199 0.175 -0.557 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CD2 . . . . . . . . . c25522_2n0e 1 . 4 . 496 . 1 1 4 TRP CE2 C 5.462 0.232 0.063 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CE2 . . . . . . . . . c25522_2n0e 1 . 4 . 497 . 1 1 4 TRP CE3 C 3.754 -1.046 -1.069 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CE3 . . . . . . . . . c25522_2n0e 1 . 4 . 498 . 1 1 4 TRP CG C 3.641 1.493 -0.502 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CG . . . . . . . . . c25522_2n0e 1 . 4 . 499 . 1 1 4 TRP CH2 C 5.822 -2.070 -0.327 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CH2 . . . . . . . . . c25522_2n0e 1 . 4 . 500 . 1 1 4 TRP CZ2 C 6.283 -0.887 0.183 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CZ2 . . . . . . . . . c25522_2n0e 1 . 4 . 501 . 1 1 4 TRP CZ3 C 4.570 -2.155 -0.949 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CZ3 . . . . . . . . . c25522_2n0e 1 . 4 . 502 . 1 1 4 TRP H H 2.487 2.445 1.630 . . . 1.0 . . . . . . . . . . . . A . 4 TRP H . . . . . . . . . c25522_2n0e 1 . 4 . 503 . 1 1 4 TRP HA H 0.368 2.341 -0.336 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HA . . . . . . . . . c25522_2n0e 1 . 4 . 504 . 1 1 4 TRP HB2 H 2.052 1.311 -1.781 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HB2 . . . . . . . . . c25522_2n0e 1 . 4 . 505 . 1 1 4 TRP HB3 H 2.399 2.858 -1.390 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HB3 . . . . . . . . . c25522_2n0e 1 . 4 . 506 . 1 1 4 TRP HD1 H 4.456 3.251 0.320 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HD1 . . . . . . . . . c25522_2n0e 1 . 4 . 507 . 1 1 4 TRP HE1 H 6.475 1.861 0.946 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HE1 . . . . . . . . . c25522_2n0e 1 . 4 . 508 . 1 1 4 TRP HE3 H 2.862 -1.118 -1.514 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HE3 . . . . . . . . . c25522_2n0e 1 . 4 . 509 . 1 1 4 TRP HH2 H 6.388 -2.891 -0.256 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HH2 . . . . . . . . . c25522_2n0e 1 . 4 . 510 . 1 1 4 TRP HZ2 H 7.177 -0.823 0.627 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HZ2 . . . . . . . . . c25522_2n0e 1 . 4 . 511 . 1 1 4 TRP HZ3 H 4.260 -3.033 -1.313 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HZ3 . . . . . . . . . c25522_2n0e 1 . 4 . 512 . 1 1 4 TRP N N 1.612 2.660 1.197 . . . 1.0 . . . . . . . . . . . . A . 4 TRP N . . . . . . . . . c25522_2n0e 1 . 4 . 513 . 1 1 4 TRP NE1 N 5.661 1.523 0.474 . . . 1.0 . . . . . . . . . . . . A . 4 TRP NE1 . . . . . . . . . c25522_2n0e 1 . 4 . 514 . 1 1 4 TRP O O -0.177 -0.054 -0.053 . . . 1.0 . . . . . . . . . . . . A . 4 TRP O . . . . . . . . . c25522_2n0e 1 . 4 . 515 . 1 1 5 ALA C C 0.095 -1.704 2.214 . . . 1.0 . . . . . . . . . . . . A . 5 ALA C . . . . . . . . . c25522_2n0e 1 . 4 . 516 . 1 1 5 ALA CA C 1.481 -1.535 1.602 . . . 1.0 . . . . . . . . . . . . A . 5 ALA CA . . . . . . . . . c25522_2n0e 1 . 4 . 517 . 1 1 5 ALA CB C 2.552 -1.962 2.593 . . . 1.0 . . . . . . . . . . . . A . 5 ALA CB . . . . . . . . . c25522_2n0e 1 . 4 . 518 . 1 1 5 ALA H H 2.519 0.324 1.495 . . . 1.0 . . . . . . . . . . . . A . 5 ALA H . . . . . . . . . c25522_2n0e 1 . 4 . 519 . 1 1 5 ALA HA H 1.544 -2.126 0.798 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HA . . . . . . . . . c25522_2n0e 1 . 4 . 520 . 1 1 5 ALA HB1 H 2.520 -1.363 3.393 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB1 . . . . . . . . . c25522_2n0e 1 . 4 . 521 . 1 1 5 ALA HB2 H 2.392 -2.907 2.878 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB2 . . . . . . . . . c25522_2n0e 1 . 4 . 522 . 1 1 5 ALA HB3 H 3.450 -1.892 2.160 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB3 . . . . . . . . . c25522_2n0e 1 . 4 . 523 . 1 1 5 ALA N N 1.703 -0.158 1.178 . . . 1.0 . . . . . . . . . . . . A . 5 ALA N . . . . . . . . . c25522_2n0e 1 . 4 . 524 . 1 1 5 ALA O O -0.494 -2.784 2.157 . . . 1.0 . . . . . . . . . . . . A . 5 ALA O . . . . . . . . . c25522_2n0e 1 . 4 . 525 . 1 1 6 VAL C C -2.789 -1.212 2.468 . . . 1.0 . . . . . . . . . . . . A . 6 VAL C . . . . . . . . . c25522_2n0e 1 . 4 . 526 . 1 1 6 VAL CA C -1.742 -0.658 3.426 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CA . . . . . . . . . c25522_2n0e 1 . 4 . 527 . 1 1 6 VAL CB C -2.172 0.746 3.887 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CB . . . . . . . . . c25522_2n0e 1 . 4 . 528 . 1 1 6 VAL CG1 C -1.220 1.278 4.946 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CG1 . . . . . . . . . c25522_2n0e 1 . 4 . 529 . 1 1 6 VAL CG2 C -2.251 1.696 2.701 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CG2 . . . . . . . . . c25522_2n0e 1 . 4 . 530 . 1 1 6 VAL H H 0.105 0.220 2.817 . . . 1.0 . . . . . . . . . . . . A . 6 VAL H . . . . . . . . . c25522_2n0e 1 . 4 . 531 . 1 1 6 VAL HA H -1.693 -1.273 4.213 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HA . . . . . . . . . c25522_2n0e 1 . 4 . 532 . 1 1 6 VAL HB H -3.076 0.664 4.308 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HB . . . . . . . . . c25522_2n0e 1 . 4 . 533 . 1 1 6 VAL HG11 H -1.221 0.670 5.740 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG11 . . . . . . . . . c25522_2n0e 1 . 4 . 534 . 1 1 6 VAL HG12 H -0.294 1.337 4.572 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG12 . . . . . . . . . c25522_2n0e 1 . 4 . 535 . 1 1 6 VAL HG13 H -1.526 2.189 5.224 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG13 . . . . . . . . . c25522_2n0e 1 . 4 . 536 . 1 1 6 VAL HG21 H -2.921 1.355 2.041 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG21 . . . . . . . . . c25522_2n0e 1 . 4 . 537 . 1 1 6 VAL HG22 H -2.532 2.600 3.024 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG22 . . . . . . . . . c25522_2n0e 1 . 4 . 538 . 1 1 6 VAL HG23 H -1.355 1.762 2.263 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG23 . . . . . . . . . c25522_2n0e 1 . 4 . 539 . 1 1 6 VAL N N -0.423 -0.629 2.802 . . . 1.0 . . . . . . . . . . . . A . 6 VAL N . . . . . . . . . c25522_2n0e 1 . 4 . 540 . 1 1 6 VAL O O -3.772 -1.819 2.891 . . . 1.0 . . . . . . . . . . . . A . 6 VAL O . . . . . . . . . c25522_2n0e 1 . 4 . 541 . 1 1 7 GLY C C -2.859 -2.433 -0.813 . . . 1.0 . . . . . . . . . . . . A . 7 GLY C . . . . . . . . . c25522_2n0e 1 . 4 . 542 . 1 1 7 GLY CA C -3.507 -1.485 0.176 . . . 1.0 . . . . . . . . . . . . A . 7 GLY CA . . . . . . . . . c25522_2n0e 1 . 4 . 543 . 1 1 7 GLY H H -1.756 -0.502 0.885 . . . 1.0 . . . . . . . . . . . . A . 7 GLY H . . . . . . . . . c25522_2n0e 1 . 4 . 544 . 1 1 7 GLY HA2 H -4.252 -1.965 0.640 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA2 . . . . . . . . . c25522_2n0e 1 . 4 . 545 . 1 1 7 GLY HA3 H -3.876 -0.702 -0.325 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA3 . . . . . . . . . c25522_2n0e 1 . 4 . 546 . 1 1 7 GLY N N -2.573 -1.001 1.174 . . . 1.0 . . . . . . . . . . . . A . 7 GLY N . . . . . . . . . c25522_2n0e 1 . 4 . 547 . 1 1 7 GLY O O -3.506 -3.348 -1.324 . . . 1.0 . . . . . . . . . . . . A . 7 GLY O . . . . . . . . . c25522_2n0e 1 . 4 . 548 . 1 1 8 HIS C C -0.466 -4.387 -1.379 . . . 1.0 . . . . . . . . . . . . A . 8 HIS C . . . . . . . . . c25522_2n0e 1 . 4 . 549 . 1 1 8 HIS CA C -0.841 -3.057 -2.025 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CA . . . . . . . . . c25522_2n0e 1 . 4 . 550 . 1 1 8 HIS CB C 0.417 -2.336 -2.508 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CB . . . . . . . . . c25522_2n0e 1 . 4 . 551 . 1 1 8 HIS CD2 C -0.588 -1.588 -4.783 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CD2 . . . . . . . . . c25522_2n0e 1 . 4 . 552 . 1 1 8 HIS CE1 C 1.209 -1.854 -6.006 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CE1 . . . . . . . . . c25522_2n0e 1 . 4 . 553 . 1 1 8 HIS CG C 0.419 -2.038 -3.982 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CG . . . . . . . . . c25522_2n0e 1 . 4 . 554 . 1 1 8 HIS H H -1.107 -1.454 -0.644 . . . 1.0 . . . . . . . . . . . . A . 8 HIS H . . . . . . . . . c25522_2n0e 1 . 4 . 555 . 1 1 8 HIS HA H -1.436 -3.248 -2.805 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HA . . . . . . . . . c25522_2n0e 1 . 4 . 556 . 1 1 8 HIS HB2 H 0.496 -1.471 -2.013 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HB2 . . . . . . . . . c25522_2n0e 1 . 4 . 557 . 1 1 8 HIS HB3 H 1.210 -2.910 -2.303 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HB3 . . . . . . . . . c25522_2n0e 1 . 4 . 558 . 1 1 8 HIS HD2 H -1.524 -1.378 -4.501 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HD2 . . . . . . . . . c25522_2n0e 1 . 4 . 559 . 1 1 8 HIS HE1 H 1.828 -1.872 -6.791 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HE1 . . . . . . . . . c25522_2n0e 1 . 4 . 560 . 1 1 8 HIS HE2 H -0.544 -1.175 -6.890 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HE2 . . . . . . . . . c25522_2n0e 1 . 4 . 561 . 1 1 8 HIS N N -1.578 -2.215 -1.089 . . . 1.0 . . . . . . . . . . . . A . 8 HIS N . . . . . . . . . c25522_2n0e 1 . 4 . 562 . 1 1 8 HIS ND1 N 1.546 -2.200 -4.772 . . . 1.0 . . . . . . . . . . . . A . 8 HIS ND1 . . . . . . . . . c25522_2n0e 1 . 4 . 563 . 1 1 8 HIS NE2 N -0.071 -1.477 -6.062 . . . 1.0 . . . . . . . . . . . . A . 8 HIS NE2 . . . . . . . . . c25522_2n0e 1 . 4 . 564 . 1 1 8 HIS O O -0.176 -5.364 -2.071 . . . 1.0 . . . . . . . . . . . . A . 8 HIS O . . . . . . . . . c25522_2n0e 1 . 4 . 565 . 1 1 9 LEU C C -1.281 -6.050 1.600 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . c25522_2n0e 1 . 4 . 566 . 1 1 9 LEU CA C -0.133 -5.629 0.688 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . c25522_2n0e 1 . 4 . 567 . 1 1 9 LEU CB C 1.135 -5.406 1.513 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . c25522_2n0e 1 . 4 . 568 . 1 1 9 LEU CD1 C 3.633 -5.327 1.701 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . c25522_2n0e 1 . 4 . 569 . 1 1 9 LEU CD2 C 2.545 -7.061 0.264 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . c25522_2n0e 1 . 4 . 570 . 1 1 9 LEU CG C 2.459 -5.632 0.784 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . c25522_2n0e 1 . 4 . 571 . 1 1 9 LEU H H -0.719 -3.590 0.455 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . c25522_2n0e 1 . 4 . 572 . 1 1 9 LEU HA H 0.028 -6.363 0.028 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . c25522_2n0e 1 . 4 . 573 . 1 1 9 LEU HB2 H 1.125 -4.461 1.841 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . c25522_2n0e 1 . 4 . 574 . 1 1 9 LEU HB3 H 1.106 -6.030 2.294 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . c25522_2n0e 1 . 4 . 575 . 1 1 9 LEU HD11 H 3.597 -5.927 2.500 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . c25522_2n0e 1 . 4 . 576 . 1 1 9 LEU HD12 H 4.489 -5.480 1.207 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . c25522_2n0e 1 . 4 . 577 . 1 1 9 LEU HD13 H 3.586 -4.373 1.998 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . c25522_2n0e 1 . 4 . 578 . 1 1 9 LEU HD21 H 1.786 -7.224 -0.366 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . c25522_2n0e 1 . 4 . 579 . 1 1 9 LEU HD22 H 3.412 -7.207 -0.213 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . c25522_2n0e 1 . 4 . 580 . 1 1 9 LEU HD23 H 2.478 -7.693 1.036 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . c25522_2n0e 1 . 4 . 581 . 1 1 9 LEU HG H 2.500 -5.031 -0.014 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . c25522_2n0e 1 . 4 . 582 . 1 1 9 LEU N N -0.474 -4.417 -0.051 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . c25522_2n0e 1 . 4 . 583 . 1 1 9 LEU O O -1.970 -7.034 1.333 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . c25522_2n0e 1 . 4 . 584 . 1 1 10 MET C C -3.656 -4.546 3.541 . . . 1.0 . . . . . . . . . . . . A . 10 MET C . . . . . . . . . c25522_2n0e 1 . 4 . 585 . 1 1 10 MET CA C -2.547 -5.591 3.626 . . . 1.0 . . . . . . . . . . . . A . 10 MET CA . . . . . . . . . c25522_2n0e 1 . 4 . 586 . 1 1 10 MET CB C -1.991 -5.644 5.051 . . . 1.0 . . . . . . . . . . . . A . 10 MET CB . . . . . . . . . c25522_2n0e 1 . 4 . 587 . 1 1 10 MET CE C 1.113 -3.705 5.949 . . . 1.0 . . . . . . . . . . . . A . 10 MET CE . . . . . . . . . c25522_2n0e 1 . 4 . 588 . 1 1 10 MET CG C -1.573 -4.286 5.591 . . . 1.0 . . . . . . . . . . . . A . 10 MET CG . . . . . . . . . c25522_2n0e 1 . 4 . 589 . 1 1 10 MET H H -0.886 -4.510 2.840 . . . 1.0 . . . . . . . . . . . . A . 10 MET H . . . . . . . . . c25522_2n0e 1 . 4 . 590 . 1 1 10 MET HA H -2.942 -6.476 3.378 . . . 1.0 . . . . . . . . . . . . A . 10 MET HA . . . . . . . . . c25522_2n0e 1 . 4 . 591 . 1 1 10 MET HB2 H -2.696 -6.020 5.653 . . . 1.0 . . . . . . . . . . . . A . 10 MET HB2 . . . . . . . . . c25522_2n0e 1 . 4 . 592 . 1 1 10 MET HB3 H -1.192 -6.246 5.057 . . . 1.0 . . . . . . . . . . . . A . 10 MET HB3 . . . . . . . . . c25522_2n0e 1 . 4 . 593 . 1 1 10 MET HE1 H 1.288 -4.251 5.130 . . . 1.0 . . . . . . . . . . . . A . 10 MET HE1 . . . . . . . . . c25522_2n0e 1 . 4 . 594 . 1 1 10 MET HE2 H 0.893 -2.767 5.683 . . . 1.0 . . . . . . . . . . . . A . 10 MET HE2 . . . . . . . . . c25522_2n0e 1 . 4 . 595 . 1 1 10 MET HE3 H 1.927 -3.705 6.529 . . . 1.0 . . . . . . . . . . . . A . 10 MET HE3 . . . . . . . . . c25522_2n0e 1 . 4 . 596 . 1 1 10 MET HG2 H -1.241 -3.732 4.827 . . . 1.0 . . . . . . . . . . . . A . 10 MET HG2 . . . . . . . . . c25522_2n0e 1 . 4 . 597 . 1 1 10 MET HG3 H -2.375 -3.848 5.997 . . . 1.0 . . . . . . . . . . . . A . 10 MET HG3 . . . . . . . . . c25522_2n0e 1 . 4 . 598 . 1 1 10 MET N N -1.481 -5.297 2.677 . . . 1.0 . . . . . . . . . . . . A . 10 MET N . . . . . . . . . c25522_2n0e 1 . 4 . 599 . 1 1 10 MET O O -4.839 -4.870 3.653 . . . 1.0 . . . . . . . . . . . . A . 10 MET O . . . . . . . . . c25522_2n0e 1 . 4 . 600 . 1 1 10 MET SD S -0.276 -4.405 6.837 . . . 1.0 . . . . . . . . . . . . A . 10 MET SD . . . . . . . . . c25522_2n0e 1 . 5 . 601 . 1 1 1 GLY C C -1.435 9.603 3.917 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c25522_2n0e 1 . 5 . 602 . 1 1 1 GLY CA C -1.548 10.920 3.176 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c25522_2n0e 1 . 5 . 603 . 1 1 1 GLY H1 H -3.131 10.423 2.027 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c25522_2n0e 1 . 5 . 604 . 1 1 1 GLY H2 H -2.257 11.673 1.443 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H2 . . . . . . . . . c25522_2n0e 1 . 5 . 605 . 1 1 1 GLY H3 H -1.687 10.147 1.317 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H3 . . . . . . . . . c25522_2n0e 1 . 5 . 606 . 1 1 1 GLY HA2 H -0.629 11.284 3.027 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c25522_2n0e 1 . 5 . 607 . 1 1 1 GLY HA3 H -2.073 11.560 3.737 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c25522_2n0e 1 . 5 . 608 . 1 1 1 GLY N N -2.207 10.780 1.891 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c25522_2n0e 1 . 5 . 609 . 1 1 1 GLY O O -1.689 9.534 5.118 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c25522_2n0e 1 . 5 . 610 . 1 1 2 ASN C C 0.176 6.427 3.079 . . . 1.0 . . . . . . . . . . . . A . 2 ASN C . . . . . . . . . c25522_2n0e 1 . 5 . 611 . 1 1 2 ASN CA C -0.908 7.229 3.792 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CA . . . . . . . . . c25522_2n0e 1 . 5 . 612 . 1 1 2 ASN CB C -2.238 6.473 3.735 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CB . . . . . . . . . c25522_2n0e 1 . 5 . 613 . 1 1 2 ASN CG C -3.092 6.715 4.965 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CG . . . . . . . . . c25522_2n0e 1 . 5 . 614 . 1 1 2 ASN H H -0.860 8.672 2.223 . . . 1.0 . . . . . . . . . . . . A . 2 ASN H . . . . . . . . . c25522_2n0e 1 . 5 . 615 . 1 1 2 ASN HA H -0.595 7.367 4.732 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HA . . . . . . . . . c25522_2n0e 1 . 5 . 616 . 1 1 2 ASN HB2 H -2.744 6.775 2.927 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HB2 . . . . . . . . . c25522_2n0e 1 . 5 . 617 . 1 1 2 ASN HB3 H -2.048 5.494 3.663 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HB3 . . . . . . . . . c25522_2n0e 1 . 5 . 618 . 1 1 2 ASN HD21 H -1.993 5.398 6.036 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HD21 . . . . . . . . . c25522_2n0e 1 . 5 . 619 . 1 1 2 ASN HD22 H -3.296 6.149 6.896 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HD22 . . . . . . . . . c25522_2n0e 1 . 5 . 620 . 1 1 2 ASN N N -1.053 8.552 3.197 . . . 1.0 . . . . . . . . . . . . A . 2 ASN N . . . . . . . . . c25522_2n0e 1 . 5 . 621 . 1 1 2 ASN ND2 N -2.767 6.031 6.055 . . . 1.0 . . . . . . . . . . . . A . 2 ASN ND2 . . . . . . . . . c25522_2n0e 1 . 5 . 622 . 1 1 2 ASN O O 0.798 6.909 2.132 . . . 1.0 . . . . . . . . . . . . A . 2 ASN O . . . . . . . . . c25522_2n0e 1 . 5 . 623 . 1 1 2 ASN OD1 O -4.034 7.507 4.934 . . . 1.0 . . . . . . . . . . . . A . 2 ASN OD1 . . . . . . . . . c25522_2n0e 1 . 5 . 624 . 1 1 3 HIS C C 0.857 3.628 1.708 . . . 1.0 . . . . . . . . . . . . A . 3 HIS C . . . . . . . . . c25522_2n0e 1 . 5 . 625 . 1 1 3 HIS CA C 1.406 4.330 2.946 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CA . . . . . . . . . c25522_2n0e 1 . 5 . 626 . 1 1 3 HIS CB C 1.882 3.293 3.965 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CB . . . . . . . . . c25522_2n0e 1 . 5 . 627 . 1 1 3 HIS CD2 C 4.242 2.302 3.529 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CD2 . . . . . . . . . c25522_2n0e 1 . 5 . 628 . 1 1 3 HIS CE1 C 5.396 3.745 4.701 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CE1 . . . . . . . . . c25522_2n0e 1 . 5 . 629 . 1 1 3 HIS CG C 3.380 3.203 4.076 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CG . . . . . . . . . c25522_2n0e 1 . 5 . 630 . 1 1 3 HIS H H -0.139 4.866 4.315 . . . 1.0 . . . . . . . . . . . . A . 3 HIS H . . . . . . . . . c25522_2n0e 1 . 5 . 631 . 1 1 3 HIS HA H 2.178 4.899 2.663 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HA . . . . . . . . . c25522_2n0e 1 . 5 . 632 . 1 1 3 HIS HB2 H 1.514 3.537 4.862 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HB2 . . . . . . . . . c25522_2n0e 1 . 5 . 633 . 1 1 3 HIS HB3 H 1.532 2.397 3.693 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HB3 . . . . . . . . . c25522_2n0e 1 . 5 . 634 . 1 1 3 HIS HD2 H 4.001 1.528 2.944 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HD2 . . . . . . . . . c25522_2n0e 1 . 5 . 635 . 1 1 3 HIS HE1 H 6.163 4.220 5.133 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HE1 . . . . . . . . . c25522_2n0e 1 . 5 . 636 . 1 1 3 HIS HE2 H 6.379 2.209 3.714 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HE2 . . . . . . . . . c25522_2n0e 1 . 5 . 637 . 1 1 3 HIS N N 0.398 5.200 3.541 . . . 1.0 . . . . . . . . . . . . A . 3 HIS N . . . . . . . . . c25522_2n0e 1 . 5 . 638 . 1 1 3 HIS ND1 N 4.125 4.108 4.812 . . . 1.0 . . . . . . . . . . . . A . 3 HIS ND1 . . . . . . . . . c25522_2n0e 1 . 5 . 639 . 1 1 3 HIS NE2 N 5.515 2.660 3.936 . . . 1.0 . . . . . . . . . . . . A . 3 HIS NE2 . . . . . . . . . c25522_2n0e 1 . 5 . 640 . 1 1 3 HIS O O -0.227 3.958 1.225 . . . 1.0 . . . . . . . . . . . . A . 3 HIS O . . . . . . . . . c25522_2n0e 1 . 5 . 641 . 1 1 4 TRP C C 0.846 0.473 0.380 . . . 1.0 . . . . . . . . . . . . A . 4 TRP C . . . . . . . . . c25522_2n0e 1 . 5 . 642 . 1 1 4 TRP CA C 1.198 1.911 0.019 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CA . . . . . . . . . c25522_2n0e 1 . 5 . 643 . 1 1 4 TRP CB C 2.308 1.929 -1.034 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CB . . . . . . . . . c25522_2n0e 1 . 5 . 644 . 1 1 4 TRP CD1 C 4.563 2.273 0.133 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CD1 . . . . . . . . . c25522_2n0e 1 . 5 . 645 . 1 1 4 TRP CD2 C 4.195 0.176 -0.558 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CD2 . . . . . . . . . c25522_2n0e 1 . 5 . 646 . 1 1 4 TRP CE2 C 5.459 0.229 0.062 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CE2 . . . . . . . . . c25522_2n0e 1 . 5 . 647 . 1 1 4 TRP CE3 C 3.748 -1.045 -1.072 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CE3 . . . . . . . . . c25522_2n0e 1 . 5 . 648 . 1 1 4 TRP CG C 3.639 1.493 -0.502 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CG . . . . . . . . . c25522_2n0e 1 . 5 . 649 . 1 1 4 TRP CH2 C 5.815 -2.072 -0.332 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CH2 . . . . . . . . . c25522_2n0e 1 . 5 . 650 . 1 1 4 TRP CZ2 C 6.278 -0.891 0.180 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CZ2 . . . . . . . . . c25522_2n0e 1 . 5 . 651 . 1 1 4 TRP CZ3 C 4.563 -2.155 -0.954 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CZ3 . . . . . . . . . c25522_2n0e 1 . 5 . 652 . 1 1 4 TRP H H 2.481 2.439 1.638 . . . 1.0 . . . . . . . . . . . . A . 4 TRP H . . . . . . . . . c25522_2n0e 1 . 5 . 653 . 1 1 4 TRP HA H 0.367 2.342 -0.333 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HA . . . . . . . . . c25522_2n0e 1 . 5 . 654 . 1 1 4 TRP HB2 H 2.050 1.315 -1.780 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HB2 . . . . . . . . . c25522_2n0e 1 . 5 . 655 . 1 1 4 TRP HB3 H 2.399 2.861 -1.386 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HB3 . . . . . . . . . c25522_2n0e 1 . 5 . 656 . 1 1 4 TRP HD1 H 4.458 3.249 0.322 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HD1 . . . . . . . . . c25522_2n0e 1 . 5 . 657 . 1 1 4 TRP HE1 H 6.474 1.855 0.949 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HE1 . . . . . . . . . c25522_2n0e 1 . 5 . 658 . 1 1 4 TRP HE3 H 2.855 -1.115 -1.517 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HE3 . . . . . . . . . c25522_2n0e 1 . 5 . 659 . 1 1 4 TRP HH2 H 6.380 -2.894 -0.262 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HH2 . . . . . . . . . c25522_2n0e 1 . 5 . 660 . 1 1 4 TRP HZ2 H 7.172 -0.830 0.624 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HZ2 . . . . . . . . . c25522_2n0e 1 . 5 . 661 . 1 1 4 TRP HZ3 H 4.252 -3.032 -1.320 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HZ3 . . . . . . . . . c25522_2n0e 1 . 5 . 662 . 1 1 4 TRP N N 1.610 2.660 1.200 . . . 1.0 . . . . . . . . . . . . A . 4 TRP N . . . . . . . . . c25522_2n0e 1 . 5 . 663 . 1 1 4 TRP NE1 N 5.660 1.519 0.475 . . . 1.0 . . . . . . . . . . . . A . 4 TRP NE1 . . . . . . . . . c25522_2n0e 1 . 5 . 664 . 1 1 4 TRP O O -0.178 -0.054 -0.055 . . . 1.0 . . . . . . . . . . . . A . 4 TRP O . . . . . . . . . c25522_2n0e 1 . 5 . 665 . 1 1 5 ALA C C 0.094 -1.705 2.212 . . . 1.0 . . . . . . . . . . . . A . 5 ALA C . . . . . . . . . c25522_2n0e 1 . 5 . 666 . 1 1 5 ALA CA C 1.479 -1.536 1.599 . . . 1.0 . . . . . . . . . . . . A . 5 ALA CA . . . . . . . . . c25522_2n0e 1 . 5 . 667 . 1 1 5 ALA CB C 2.553 -1.965 2.588 . . . 1.0 . . . . . . . . . . . . A . 5 ALA CB . . . . . . . . . c25522_2n0e 1 . 5 . 668 . 1 1 5 ALA H H 2.517 0.323 1.497 . . . 1.0 . . . . . . . . . . . . A . 5 ALA H . . . . . . . . . c25522_2n0e 1 . 5 . 669 . 1 1 5 ALA HA H 1.541 -2.126 0.794 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HA . . . . . . . . . c25522_2n0e 1 . 5 . 670 . 1 1 5 ALA HB1 H 2.523 -1.367 3.389 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB1 . . . . . . . . . c25522_2n0e 1 . 5 . 671 . 1 1 5 ALA HB2 H 2.393 -2.911 2.872 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB2 . . . . . . . . . c25522_2n0e 1 . 5 . 672 . 1 1 5 ALA HB3 H 3.451 -1.895 2.153 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB3 . . . . . . . . . c25522_2n0e 1 . 5 . 673 . 1 1 5 ALA N N 1.701 -0.159 1.178 . . . 1.0 . . . . . . . . . . . . A . 5 ALA N . . . . . . . . . c25522_2n0e 1 . 5 . 674 . 1 1 5 ALA O O -0.495 -2.786 2.154 . . . 1.0 . . . . . . . . . . . . A . 5 ALA O . . . . . . . . . c25522_2n0e 1 . 5 . 675 . 1 1 6 VAL C C -2.789 -1.217 2.468 . . . 1.0 . . . . . . . . . . . . A . 6 VAL C . . . . . . . . . c25522_2n0e 1 . 5 . 676 . 1 1 6 VAL CA C -1.742 -0.661 3.425 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CA . . . . . . . . . c25522_2n0e 1 . 5 . 677 . 1 1 6 VAL CB C -2.174 0.742 3.887 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CB . . . . . . . . . c25522_2n0e 1 . 5 . 678 . 1 1 6 VAL CG1 C -1.222 1.274 4.945 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CG1 . . . . . . . . . c25522_2n0e 1 . 5 . 679 . 1 1 6 VAL CG2 C -2.253 1.692 2.701 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CG2 . . . . . . . . . c25522_2n0e 1 . 5 . 680 . 1 1 6 VAL H H 0.104 0.217 2.817 . . . 1.0 . . . . . . . . . . . . A . 6 VAL H . . . . . . . . . c25522_2n0e 1 . 5 . 681 . 1 1 6 VAL HA H -1.693 -1.275 4.212 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HA . . . . . . . . . c25522_2n0e 1 . 5 . 682 . 1 1 6 VAL HB H -3.077 0.658 4.308 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HB . . . . . . . . . c25522_2n0e 1 . 5 . 683 . 1 1 6 VAL HG11 H -0.297 1.334 4.570 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG11 . . . . . . . . . c25522_2n0e 1 . 5 . 684 . 1 1 6 VAL HG12 H -1.529 2.184 5.224 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG12 . . . . . . . . . c25522_2n0e 1 . 5 . 685 . 1 1 6 VAL HG13 H -1.221 0.665 5.738 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG13 . . . . . . . . . c25522_2n0e 1 . 5 . 686 . 1 1 6 VAL HG21 H -2.922 1.351 2.040 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG21 . . . . . . . . . c25522_2n0e 1 . 5 . 687 . 1 1 6 VAL HG22 H -2.535 2.595 3.024 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG22 . . . . . . . . . c25522_2n0e 1 . 5 . 688 . 1 1 6 VAL HG23 H -1.356 1.759 2.263 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG23 . . . . . . . . . c25522_2n0e 1 . 5 . 689 . 1 1 6 VAL N N -0.424 -0.632 2.801 . . . 1.0 . . . . . . . . . . . . A . 6 VAL N . . . . . . . . . c25522_2n0e 1 . 5 . 690 . 1 1 6 VAL O O -3.771 -1.826 2.891 . . . 1.0 . . . . . . . . . . . . A . 6 VAL O . . . . . . . . . c25522_2n0e 1 . 5 . 691 . 1 1 7 GLY C C -2.861 -2.430 -0.817 . . . 1.0 . . . . . . . . . . . . A . 7 GLY C . . . . . . . . . c25522_2n0e 1 . 5 . 692 . 1 1 7 GLY CA C -3.511 -1.488 0.175 . . . 1.0 . . . . . . . . . . . . A . 7 GLY CA . . . . . . . . . c25522_2n0e 1 . 5 . 693 . 1 1 7 GLY H H -1.762 -0.499 0.883 . . . 1.0 . . . . . . . . . . . . A . 7 GLY H . . . . . . . . . c25522_2n0e 1 . 5 . 694 . 1 1 7 GLY HA2 H -4.253 -1.972 0.639 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA2 . . . . . . . . . c25522_2n0e 1 . 5 . 695 . 1 1 7 GLY HA3 H -3.884 -0.705 -0.323 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA3 . . . . . . . . . c25522_2n0e 1 . 5 . 696 . 1 1 7 GLY N N -2.576 -1.002 1.173 . . . 1.0 . . . . . . . . . . . . A . 7 GLY N . . . . . . . . . c25522_2n0e 1 . 5 . 697 . 1 1 7 GLY O O -3.509 -3.338 -1.339 . . . 1.0 . . . . . . . . . . . . A . 7 GLY O . . . . . . . . . c25522_2n0e 1 . 5 . 698 . 1 1 8 HIS C C -0.464 -4.388 -1.380 . . . 1.0 . . . . . . . . . . . . A . 8 HIS C . . . . . . . . . c25522_2n0e 1 . 5 . 699 . 1 1 8 HIS CA C -0.839 -3.055 -2.020 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CA . . . . . . . . . c25522_2n0e 1 . 5 . 700 . 1 1 8 HIS CB C 0.421 -2.333 -2.499 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CB . . . . . . . . . c25522_2n0e 1 . 5 . 701 . 1 1 8 HIS CD2 C -0.566 -1.550 -4.771 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CD2 . . . . . . . . . c25522_2n0e 1 . 5 . 702 . 1 1 8 HIS CE1 C 1.216 -1.877 -6.000 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CE1 . . . . . . . . . c25522_2n0e 1 . 5 . 703 . 1 1 8 HIS CG C 0.427 -2.035 -3.973 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CG . . . . . . . . . c25522_2n0e 1 . 5 . 704 . 1 1 8 HIS H H -1.103 -1.461 -0.627 . . . 1.0 . . . . . . . . . . . . A . 8 HIS H . . . . . . . . . c25522_2n0e 1 . 5 . 705 . 1 1 8 HIS HA H -1.434 -3.243 -2.801 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HA . . . . . . . . . c25522_2n0e 1 . 5 . 706 . 1 1 8 HIS HB2 H 0.498 -1.468 -2.004 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HB2 . . . . . . . . . c25522_2n0e 1 . 5 . 707 . 1 1 8 HIS HB3 H 1.213 -2.907 -2.292 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HB3 . . . . . . . . . c25522_2n0e 1 . 5 . 708 . 1 1 8 HIS HD2 H -1.493 -1.308 -4.485 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HD2 . . . . . . . . . c25522_2n0e 1 . 5 . 709 . 1 1 8 HIS HE1 H 1.831 -1.916 -6.787 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HE1 . . . . . . . . . c25522_2n0e 1 . 5 . 710 . 1 1 8 HIS HE2 H -0.518 -1.136 -6.875 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HE2 . . . . . . . . . c25522_2n0e 1 . 5 . 711 . 1 1 8 HIS N N -1.576 -2.216 -1.082 . . . 1.0 . . . . . . . . . . . . A . 8 HIS N . . . . . . . . . c25522_2n0e 1 . 5 . 712 . 1 1 8 HIS ND1 N 1.544 -2.235 -4.767 . . . 1.0 . . . . . . . . . . . . A . 8 HIS ND1 . . . . . . . . . c25522_2n0e 1 . 5 . 713 . 1 1 8 HIS NE2 N -0.051 -1.456 -6.050 . . . 1.0 . . . . . . . . . . . . A . 8 HIS NE2 . . . . . . . . . c25522_2n0e 1 . 5 . 714 . 1 1 8 HIS O O -0.169 -5.361 -2.075 . . . 1.0 . . . . . . . . . . . . A . 8 HIS O . . . . . . . . . c25522_2n0e 1 . 5 . 715 . 1 1 9 LEU C C -1.288 -6.065 1.590 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . c25522_2n0e 1 . 5 . 716 . 1 1 9 LEU CA C -0.139 -5.639 0.683 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . c25522_2n0e 1 . 5 . 717 . 1 1 9 LEU CB C 1.127 -5.419 1.513 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . c25522_2n0e 1 . 5 . 718 . 1 1 9 LEU CD1 C 3.624 -5.339 1.709 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . c25522_2n0e 1 . 5 . 719 . 1 1 9 LEU CD2 C 2.542 -7.064 0.258 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . c25522_2n0e 1 . 5 . 720 . 1 1 9 LEU CG C 2.454 -5.641 0.786 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . c25522_2n0e 1 . 5 . 721 . 1 1 9 LEU H H -0.725 -3.600 0.456 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . c25522_2n0e 1 . 5 . 722 . 1 1 9 LEU HA H 0.024 -6.370 0.021 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . c25522_2n0e 1 . 5 . 723 . 1 1 9 LEU HB2 H 1.115 -4.476 1.846 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . c25522_2n0e 1 . 5 . 724 . 1 1 9 LEU HB3 H 1.096 -6.047 2.291 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . c25522_2n0e 1 . 5 . 725 . 1 1 9 LEU HD11 H 3.575 -4.387 2.010 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . c25522_2n0e 1 . 5 . 726 . 1 1 9 LEU HD12 H 3.586 -5.943 2.505 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . c25522_2n0e 1 . 5 . 727 . 1 1 9 LEU HD13 H 4.482 -5.489 1.217 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . c25522_2n0e 1 . 5 . 728 . 1 1 9 LEU HD21 H 1.785 -7.223 -0.376 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . c25522_2n0e 1 . 5 . 729 . 1 1 9 LEU HD22 H 3.410 -7.207 -0.217 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . c25522_2n0e 1 . 5 . 730 . 1 1 9 LEU HD23 H 2.473 -7.701 1.026 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . c25522_2n0e 1 . 5 . 731 . 1 1 9 LEU HG H 2.497 -5.036 -0.009 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . c25522_2n0e 1 . 5 . 732 . 1 1 9 LEU N N -0.477 -4.425 -0.052 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . c25522_2n0e 1 . 5 . 733 . 1 1 9 LEU O O -1.947 -7.074 1.340 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . c25522_2n0e 1 . 5 . 734 . 1 1 10 MET C C -3.738 -4.580 3.442 . . . 1.0 . . . . . . . . . . . . A . 10 MET C . . . . . . . . . c25522_2n0e 1 . 5 . 735 . 1 1 10 MET CA C -2.598 -5.584 3.584 . . . 1.0 . . . . . . . . . . . . A . 10 MET CA . . . . . . . . . c25522_2n0e 1 . 5 . 736 . 1 1 10 MET CB C -2.065 -5.568 5.018 . . . 1.0 . . . . . . . . . . . . A . 10 MET CB . . . . . . . . . c25522_2n0e 1 . 5 . 737 . 1 1 10 MET CE C 0.749 -2.595 5.834 . . . 1.0 . . . . . . . . . . . . A . 10 MET CE . . . . . . . . . c25522_2n0e 1 . 5 . 738 . 1 1 10 MET CG C -1.442 -4.242 5.420 . . . 1.0 . . . . . . . . . . . . A . 10 MET CG . . . . . . . . . c25522_2n0e 1 . 5 . 739 . 1 1 10 MET H H -0.952 -4.481 2.790 . . . 1.0 . . . . . . . . . . . . A . 10 MET H . . . . . . . . . c25522_2n0e 1 . 5 . 740 . 1 1 10 MET HA H -2.959 -6.490 3.362 . . . 1.0 . . . . . . . . . . . . A . 10 MET HA . . . . . . . . . c25522_2n0e 1 . 5 . 741 . 1 1 10 MET HB2 H -2.823 -5.762 5.640 . . . 1.0 . . . . . . . . . . . . A . 10 MET HB2 . . . . . . . . . c25522_2n0e 1 . 5 . 742 . 1 1 10 MET HB3 H -1.371 -6.282 5.106 . . . 1.0 . . . . . . . . . . . . A . 10 MET HB3 . . . . . . . . . c25522_2n0e 1 . 5 . 743 . 1 1 10 MET HE1 H 0.264 -1.901 5.302 . . . 1.0 . . . . . . . . . . . . A . 10 MET HE1 . . . . . . . . . c25522_2n0e 1 . 5 . 744 . 1 1 10 MET HE2 H 0.463 -2.541 6.791 . . . 1.0 . . . . . . . . . . . . A . 10 MET HE2 . . . . . . . . . c25522_2n0e 1 . 5 . 745 . 1 1 10 MET HE3 H 1.734 -2.435 5.771 . . . 1.0 . . . . . . . . . . . . A . 10 MET HE3 . . . . . . . . . c25522_2n0e 1 . 5 . 746 . 1 1 10 MET HG2 H -1.852 -3.520 4.863 . . . 1.0 . . . . . . . . . . . . A . 10 MET HG2 . . . . . . . . . c25522_2n0e 1 . 5 . 747 . 1 1 10 MET HG3 H -1.649 -4.076 6.384 . . . 1.0 . . . . . . . . . . . . A . 10 MET HG3 . . . . . . . . . c25522_2n0e 1 . 5 . 748 . 1 1 10 MET N N -1.524 -5.288 2.641 . . . 1.0 . . . . . . . . . . . . A . 10 MET N . . . . . . . . . c25522_2n0e 1 . 5 . 749 . 1 1 10 MET O O -4.553 -4.418 4.351 . . . 1.0 . . . . . . . . . . . . A . 10 MET O . . . . . . . . . c25522_2n0e 1 . 5 . 750 . 1 1 10 MET SD S 0.347 -4.217 5.191 . . . 1.0 . . . . . . . . . . . . A . 10 MET SD . . . . . . . . . c25522_2n0e 1 . 6 . 751 . 1 1 1 GLY C C -0.123 9.470 3.254 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c25522_2n0e 1 . 6 . 752 . 1 1 1 GLY CA C -0.401 10.799 2.580 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c25522_2n0e 1 . 6 . 753 . 1 1 1 GLY H1 H 0.179 10.261 0.723 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c25522_2n0e 1 . 6 . 754 . 1 1 1 GLY H2 H 0.171 11.875 0.971 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H2 . . . . . . . . . c25522_2n0e 1 . 6 . 755 . 1 1 1 GLY H3 H 1.361 10.958 1.609 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H3 . . . . . . . . . c25522_2n0e 1 . 6 . 756 . 1 1 1 GLY HA2 H -0.188 11.535 3.222 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c25522_2n0e 1 . 6 . 757 . 1 1 1 GLY HA3 H -1.370 10.839 2.337 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c25522_2n0e 1 . 6 . 758 . 1 1 1 GLY N N 0.389 10.988 1.377 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c25522_2n0e 1 . 6 . 759 . 1 1 1 GLY O O 0.935 9.280 3.854 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c25522_2n0e 1 . 6 . 760 . 1 1 2 ASN C C 0.159 6.424 3.056 . . . 1.0 . . . . . . . . . . . . A . 2 ASN C . . . . . . . . . c25522_2n0e 1 . 6 . 761 . 1 1 2 ASN CA C -0.927 7.230 3.763 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CA . . . . . . . . . c25522_2n0e 1 . 6 . 762 . 1 1 2 ASN CB C -2.255 6.471 3.713 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CB . . . . . . . . . c25522_2n0e 1 . 6 . 763 . 1 1 2 ASN CG C -3.097 6.699 4.952 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CG . . . . . . . . . c25522_2n0e 1 . 6 . 764 . 1 1 2 ASN H H -1.911 8.761 2.651 . . . 1.0 . . . . . . . . . . . . A . 2 ASN H . . . . . . . . . c25522_2n0e 1 . 6 . 765 . 1 1 2 ASN HA H -0.614 7.377 4.701 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HA . . . . . . . . . c25522_2n0e 1 . 6 . 766 . 1 1 2 ASN HB2 H -2.770 6.778 2.913 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HB2 . . . . . . . . . c25522_2n0e 1 . 6 . 767 . 1 1 2 ASN HB3 H -2.063 5.493 3.630 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HB3 . . . . . . . . . c25522_2n0e 1 . 6 . 768 . 1 1 2 ASN HD21 H -2.169 5.177 5.909 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HD21 . . . . . . . . . c25522_2n0e 1 . 6 . 769 . 1 1 2 ASN HD22 H -3.392 5.993 6.825 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HD22 . . . . . . . . . c25522_2n0e 1 . 6 . 770 . 1 1 2 ASN N N -1.074 8.547 3.155 . . . 1.0 . . . . . . . . . . . . A . 2 ASN N . . . . . . . . . c25522_2n0e 1 . 6 . 771 . 1 1 2 ASN ND2 N -2.867 5.890 5.980 . . . 1.0 . . . . . . . . . . . . A . 2 ASN ND2 . . . . . . . . . c25522_2n0e 1 . 6 . 772 . 1 1 2 ASN O O 0.774 6.896 2.099 . . . 1.0 . . . . . . . . . . . . A . 2 ASN O . . . . . . . . . c25522_2n0e 1 . 6 . 773 . 1 1 2 ASN OD1 O -3.944 7.592 4.986 . . . 1.0 . . . . . . . . . . . . A . 2 ASN OD1 . . . . . . . . . c25522_2n0e 1 . 6 . 774 . 1 1 3 HIS C C 0.855 3.628 1.706 . . . 1.0 . . . . . . . . . . . . A . 3 HIS C . . . . . . . . . c25522_2n0e 1 . 6 . 775 . 1 1 3 HIS CA C 1.398 4.331 2.946 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CA . . . . . . . . . c25522_2n0e 1 . 6 . 776 . 1 1 3 HIS CB C 1.867 3.294 3.968 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CB . . . . . . . . . c25522_2n0e 1 . 6 . 777 . 1 1 3 HIS CD2 C 4.239 2.345 3.506 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CD2 . . . . . . . . . c25522_2n0e 1 . 6 . 778 . 1 1 3 HIS CE1 C 5.367 3.723 4.780 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CE1 . . . . . . . . . c25522_2n0e 1 . 6 . 779 . 1 1 3 HIS CG C 3.363 3.207 4.094 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CG . . . . . . . . . c25522_2n0e 1 . 6 . 780 . 1 1 3 HIS H H -0.146 4.877 4.312 . . . 1.0 . . . . . . . . . . . . A . 3 HIS H . . . . . . . . . c25522_2n0e 1 . 6 . 781 . 1 1 3 HIS HA H 2.173 4.897 2.667 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HA . . . . . . . . . c25522_2n0e 1 . 6 . 782 . 1 1 3 HIS HB2 H 1.489 3.536 4.862 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HB2 . . . . . . . . . c25522_2n0e 1 . 6 . 783 . 1 1 3 HIS HB3 H 1.522 2.397 3.692 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HB3 . . . . . . . . . c25522_2n0e 1 . 6 . 784 . 1 1 3 HIS HD2 H 4.011 1.605 2.873 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HD2 . . . . . . . . . c25522_2n0e 1 . 6 . 785 . 1 1 3 HIS HE1 H 6.125 4.176 5.250 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HE1 . . . . . . . . . c25522_2n0e 1 . 6 . 786 . 1 1 3 HIS HE2 H 6.374 2.254 3.711 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HE2 . . . . . . . . . c25522_2n0e 1 . 6 . 787 . 1 1 3 HIS N N 0.388 5.204 3.532 . . . 1.0 . . . . . . . . . . . . A . 3 HIS N . . . . . . . . . c25522_2n0e 1 . 6 . 788 . 1 1 3 HIS ND1 N 4.094 4.069 4.895 . . . 1.0 . . . . . . . . . . . . A . 3 HIS ND1 . . . . . . . . . c25522_2n0e 1 . 6 . 789 . 1 1 3 HIS NE2 N 5.504 2.686 3.950 . . . 1.0 . . . . . . . . . . . . A . 3 HIS NE2 . . . . . . . . . c25522_2n0e 1 . 6 . 790 . 1 1 3 HIS O O -0.225 3.958 1.216 . . . 1.0 . . . . . . . . . . . . A . 3 HIS O . . . . . . . . . c25522_2n0e 1 . 6 . 791 . 1 1 4 TRP C C 0.851 0.469 0.382 . . . 1.0 . . . . . . . . . . . . A . 4 TRP C . . . . . . . . . c25522_2n0e 1 . 6 . 792 . 1 1 4 TRP CA C 1.204 1.908 0.020 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CA . . . . . . . . . c25522_2n0e 1 . 6 . 793 . 1 1 4 TRP CB C 2.319 1.925 -1.027 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CB . . . . . . . . . c25522_2n0e 1 . 6 . 794 . 1 1 4 TRP CD1 C 4.567 2.282 0.148 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CD1 . . . . . . . . . c25522_2n0e 1 . 6 . 795 . 1 1 4 TRP CD2 C 4.209 0.179 -0.532 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CD2 . . . . . . . . . c25522_2n0e 1 . 6 . 796 . 1 1 4 TRP CE2 C 5.469 0.240 0.093 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CE2 . . . . . . . . . c25522_2n0e 1 . 6 . 797 . 1 1 4 TRP CE3 C 3.768 -1.045 -1.040 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CE3 . . . . . . . . . c25522_2n0e 1 . 6 . 798 . 1 1 4 TRP CG C 3.649 1.496 -0.486 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CG . . . . . . . . . c25522_2n0e 1 . 6 . 799 . 1 1 4 TRP CH2 C 5.834 -2.062 -0.285 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CH2 . . . . . . . . . c25522_2n0e 1 . 6 . 800 . 1 1 4 TRP CZ2 C 6.291 -0.877 0.222 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CZ2 . . . . . . . . . c25522_2n0e 1 . 6 . 801 . 1 1 4 TRP CZ3 C 4.585 -2.153 -0.912 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CZ3 . . . . . . . . . c25522_2n0e 1 . 6 . 802 . 1 1 4 TRP H H 2.478 2.436 1.648 . . . 1.0 . . . . . . . . . . . . A . 4 TRP H . . . . . . . . . c25522_2n0e 1 . 6 . 803 . 1 1 4 TRP HA H 0.374 2.338 -0.336 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HA . . . . . . . . . c25522_2n0e 1 . 6 . 804 . 1 1 4 TRP HB2 H 2.067 1.307 -1.771 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HB2 . . . . . . . . . c25522_2n0e 1 . 6 . 805 . 1 1 4 TRP HB3 H 2.409 2.855 -1.383 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HB3 . . . . . . . . . c25522_2n0e 1 . 6 . 806 . 1 1 4 TRP HD1 H 4.458 3.259 0.330 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HD1 . . . . . . . . . c25522_2n0e 1 . 6 . 807 . 1 1 4 TRP HE1 H 6.477 1.876 0.975 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HE1 . . . . . . . . . c25522_2n0e 1 . 6 . 808 . 1 1 4 TRP HE3 H 2.877 -1.120 -1.489 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HE3 . . . . . . . . . c25522_2n0e 1 . 6 . 809 . 1 1 4 TRP HH2 H 6.401 -2.882 -0.208 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HH2 . . . . . . . . . c25522_2n0e 1 . 6 . 810 . 1 1 4 TRP HZ2 H 7.183 -0.810 0.670 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HZ2 . . . . . . . . . c25522_2n0e 1 . 6 . 811 . 1 1 4 TRP HZ3 H 4.278 -3.033 -1.273 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HZ3 . . . . . . . . . c25522_2n0e 1 . 6 . 812 . 1 1 4 TRP N N 1.610 2.658 1.204 . . . 1.0 . . . . . . . . . . . . A . 4 TRP N . . . . . . . . . c25522_2n0e 1 . 6 . 813 . 1 1 4 TRP NE1 N 5.666 1.534 0.500 . . . 1.0 . . . . . . . . . . . . A . 4 TRP NE1 . . . . . . . . . c25522_2n0e 1 . 6 . 814 . 1 1 4 TRP O O -0.174 -0.055 -0.053 . . . 1.0 . . . . . . . . . . . . A . 4 TRP O . . . . . . . . . c25522_2n0e 1 . 6 . 815 . 1 1 5 ALA C C 0.095 -1.708 2.214 . . . 1.0 . . . . . . . . . . . . A . 5 ALA C . . . . . . . . . c25522_2n0e 1 . 6 . 816 . 1 1 5 ALA CA C 1.481 -1.540 1.601 . . . 1.0 . . . . . . . . . . . . A . 5 ALA CA . . . . . . . . . c25522_2n0e 1 . 6 . 817 . 1 1 5 ALA CB C 2.554 -1.970 2.590 . . . 1.0 . . . . . . . . . . . . A . 5 ALA CB . . . . . . . . . c25522_2n0e 1 . 6 . 818 . 1 1 5 ALA H H 2.521 0.318 1.499 . . . 1.0 . . . . . . . . . . . . A . 5 ALA H . . . . . . . . . c25522_2n0e 1 . 6 . 819 . 1 1 5 ALA HA H 1.543 -2.130 0.796 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HA . . . . . . . . . c25522_2n0e 1 . 6 . 820 . 1 1 5 ALA HB1 H 2.525 -1.372 3.391 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB1 . . . . . . . . . c25522_2n0e 1 . 6 . 821 . 1 1 5 ALA HB2 H 2.393 -2.915 2.874 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB2 . . . . . . . . . c25522_2n0e 1 . 6 . 822 . 1 1 5 ALA HB3 H 3.452 -1.901 2.155 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB3 . . . . . . . . . c25522_2n0e 1 . 6 . 823 . 1 1 5 ALA N N 1.705 -0.163 1.180 . . . 1.0 . . . . . . . . . . . . A . 5 ALA N . . . . . . . . . c25522_2n0e 1 . 6 . 824 . 1 1 5 ALA O O -0.495 -2.787 2.156 . . . 1.0 . . . . . . . . . . . . A . 5 ALA O . . . . . . . . . c25522_2n0e 1 . 6 . 825 . 1 1 6 VAL C C -2.787 -1.214 2.470 . . . 1.0 . . . . . . . . . . . . A . 6 VAL C . . . . . . . . . c25522_2n0e 1 . 6 . 826 . 1 1 6 VAL CA C -1.740 -0.661 3.427 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CA . . . . . . . . . c25522_2n0e 1 . 6 . 827 . 1 1 6 VAL CB C -2.169 0.741 3.890 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CB . . . . . . . . . c25522_2n0e 1 . 6 . 828 . 1 1 6 VAL CG1 C -1.216 1.272 4.950 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CG1 . . . . . . . . . c25522_2n0e 1 . 6 . 829 . 1 1 6 VAL CG2 C -2.245 1.694 2.706 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CG2 . . . . . . . . . c25522_2n0e 1 . 6 . 830 . 1 1 6 VAL H H 0.108 0.216 2.819 . . . 1.0 . . . . . . . . . . . . A . 6 VAL H . . . . . . . . . c25522_2n0e 1 . 6 . 831 . 1 1 6 VAL HA H -1.692 -1.276 4.214 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HA . . . . . . . . . c25522_2n0e 1 . 6 . 832 . 1 1 6 VAL HB H -3.072 0.658 4.311 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HB . . . . . . . . . c25522_2n0e 1 . 6 . 833 . 1 1 6 VAL HG11 H -0.291 1.331 4.575 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG11 . . . . . . . . . c25522_2n0e 1 . 6 . 834 . 1 1 6 VAL HG12 H -1.521 2.182 5.229 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG12 . . . . . . . . . c25522_2n0e 1 . 6 . 835 . 1 1 6 VAL HG13 H -1.216 0.662 5.743 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG13 . . . . . . . . . c25522_2n0e 1 . 6 . 836 . 1 1 6 VAL HG21 H -2.914 1.355 2.044 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG21 . . . . . . . . . c25522_2n0e 1 . 6 . 837 . 1 1 6 VAL HG22 H -2.525 2.597 3.031 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG22 . . . . . . . . . c25522_2n0e 1 . 6 . 838 . 1 1 6 VAL HG23 H -1.348 1.760 2.269 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG23 . . . . . . . . . c25522_2n0e 1 . 6 . 839 . 1 1 6 VAL N N -0.421 -0.633 2.803 . . . 1.0 . . . . . . . . . . . . A . 6 VAL N . . . . . . . . . c25522_2n0e 1 . 6 . 840 . 1 1 6 VAL O O -3.771 -1.820 2.893 . . . 1.0 . . . . . . . . . . . . A . 6 VAL O . . . . . . . . . c25522_2n0e 1 . 6 . 841 . 1 1 7 GLY C C -2.861 -2.430 -0.815 . . . 1.0 . . . . . . . . . . . . A . 7 GLY C . . . . . . . . . c25522_2n0e 1 . 6 . 842 . 1 1 7 GLY CA C -3.508 -1.483 0.177 . . . 1.0 . . . . . . . . . . . . A . 7 GLY CA . . . . . . . . . c25522_2n0e 1 . 6 . 843 . 1 1 7 GLY H H -1.756 -0.500 0.886 . . . 1.0 . . . . . . . . . . . . A . 7 GLY H . . . . . . . . . c25522_2n0e 1 . 6 . 844 . 1 1 7 GLY HA2 H -4.252 -1.964 0.641 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA2 . . . . . . . . . c25522_2n0e 1 . 6 . 845 . 1 1 7 GLY HA3 H -3.878 -0.699 -0.322 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA3 . . . . . . . . . c25522_2n0e 1 . 6 . 846 . 1 1 7 GLY N N -2.572 -1.000 1.175 . . . 1.0 . . . . . . . . . . . . A . 7 GLY N . . . . . . . . . c25522_2n0e 1 . 6 . 847 . 1 1 7 GLY O O -3.510 -3.342 -1.327 . . . 1.0 . . . . . . . . . . . . A . 7 GLY O . . . . . . . . . c25522_2n0e 1 . 6 . 848 . 1 1 8 HIS C C -0.469 -4.385 -1.383 . . . 1.0 . . . . . . . . . . . . A . 8 HIS C . . . . . . . . . c25522_2n0e 1 . 6 . 849 . 1 1 8 HIS CA C -0.843 -3.053 -2.026 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CA . . . . . . . . . c25522_2n0e 1 . 6 . 850 . 1 1 8 HIS CB C 0.415 -2.333 -2.508 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CB . . . . . . . . . c25522_2n0e 1 . 6 . 851 . 1 1 8 HIS CD2 C -0.605 -1.623 -4.789 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CD2 . . . . . . . . . c25522_2n0e 1 . 6 . 852 . 1 1 8 HIS CE1 C 1.213 -1.798 -5.997 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CE1 . . . . . . . . . c25522_2n0e 1 . 6 . 853 . 1 1 8 HIS CG C 0.415 -2.029 -3.982 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CG . . . . . . . . . c25522_2n0e 1 . 6 . 854 . 1 1 8 HIS H H -1.105 -1.455 -0.637 . . . 1.0 . . . . . . . . . . . . A . 8 HIS H . . . . . . . . . c25522_2n0e 1 . 6 . 855 . 1 1 8 HIS HA H -1.439 -3.242 -2.806 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HA . . . . . . . . . c25522_2n0e 1 . 6 . 856 . 1 1 8 HIS HB2 H 0.496 -1.470 -2.010 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HB2 . . . . . . . . . c25522_2n0e 1 . 6 . 857 . 1 1 8 HIS HB3 H 1.207 -2.910 -2.307 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HB3 . . . . . . . . . c25522_2n0e 1 . 6 . 858 . 1 1 8 HIS HD2 H -1.552 -1.458 -4.514 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HD2 . . . . . . . . . c25522_2n0e 1 . 6 . 859 . 1 1 8 HIS HE1 H 1.839 -1.783 -6.777 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HE1 . . . . . . . . . c25522_2n0e 1 . 6 . 860 . 1 1 8 HIS HE2 H -0.563 -1.198 -6.892 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HE2 . . . . . . . . . c25522_2n0e 1 . 6 . 861 . 1 1 8 HIS N N -1.578 -2.213 -1.087 . . . 1.0 . . . . . . . . . . . . A . 8 HIS N . . . . . . . . . c25522_2n0e 1 . 6 . 862 . 1 1 8 HIS ND1 N 1.555 -2.133 -4.762 . . . 1.0 . . . . . . . . . . . . A . 8 HIS ND1 . . . . . . . . . c25522_2n0e 1 . 6 . 863 . 1 1 8 HIS NE2 N -0.083 -1.482 -6.062 . . . 1.0 . . . . . . . . . . . . A . 8 HIS NE2 . . . . . . . . . c25522_2n0e 1 . 6 . 864 . 1 1 8 HIS O O -0.183 -5.362 -2.077 . . . 1.0 . . . . . . . . . . . . A . 8 HIS O . . . . . . . . . c25522_2n0e 1 . 6 . 865 . 1 1 9 LEU C C -1.281 -6.055 1.591 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . c25522_2n0e 1 . 6 . 866 . 1 1 9 LEU CA C -0.133 -5.631 0.681 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . c25522_2n0e 1 . 6 . 867 . 1 1 9 LEU CB C 1.134 -5.409 1.509 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . c25522_2n0e 1 . 6 . 868 . 1 1 9 LEU CD1 C 3.632 -5.333 1.702 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . c25522_2n0e 1 . 6 . 869 . 1 1 9 LEU CD2 C 2.545 -7.064 0.262 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . c25522_2n0e 1 . 6 . 870 . 1 1 9 LEU CG C 2.460 -5.637 0.782 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . c25522_2n0e 1 . 6 . 871 . 1 1 9 LEU H H -0.712 -3.589 0.451 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . c25522_2n0e 1 . 6 . 872 . 1 1 9 LEU HA H 0.028 -6.364 0.020 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . c25522_2n0e 1 . 6 . 873 . 1 1 9 LEU HB2 H 1.124 -4.464 1.837 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . c25522_2n0e 1 . 6 . 874 . 1 1 9 LEU HB3 H 1.103 -6.033 2.290 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . c25522_2n0e 1 . 6 . 875 . 1 1 9 LEU HD11 H 3.585 -4.379 1.999 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . c25522_2n0e 1 . 6 . 876 . 1 1 9 LEU HD12 H 3.594 -5.933 2.501 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . c25522_2n0e 1 . 6 . 877 . 1 1 9 LEU HD13 H 4.489 -5.487 1.210 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . c25522_2n0e 1 . 6 . 878 . 1 1 9 LEU HD21 H 1.787 -7.226 -0.370 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . c25522_2n0e 1 . 6 . 879 . 1 1 9 LEU HD22 H 3.413 -7.211 -0.213 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . c25522_2n0e 1 . 6 . 880 . 1 1 9 LEU HD23 H 2.476 -7.696 1.034 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . c25522_2n0e 1 . 6 . 881 . 1 1 9 LEU HG H 2.504 -5.036 -0.016 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . c25522_2n0e 1 . 6 . 882 . 1 1 9 LEU N N -0.472 -4.417 -0.056 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . c25522_2n0e 1 . 6 . 883 . 1 1 9 LEU O O -1.966 -7.041 1.322 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . c25522_2n0e 1 . 6 . 884 . 1 1 10 MET C C -3.723 -4.634 3.434 . . . 1.0 . . . . . . . . . . . . A . 10 MET C . . . . . . . . . c25522_2n0e 1 . 6 . 885 . 1 1 10 MET CA C -2.555 -5.598 3.613 . . . 1.0 . . . . . . . . . . . . A . 10 MET CA . . . . . . . . . c25522_2n0e 1 . 6 . 886 . 1 1 10 MET CB C -2.030 -5.519 5.048 . . . 1.0 . . . . . . . . . . . . A . 10 MET CB . . . . . . . . . c25522_2n0e 1 . 6 . 887 . 1 1 10 MET CE C 0.793 -2.511 5.691 . . . 1.0 . . . . . . . . . . . . A . 10 MET CE . . . . . . . . . c25522_2n0e 1 . 6 . 888 . 1 1 10 MET CG C -1.399 -4.180 5.392 . . . 1.0 . . . . . . . . . . . . A . 10 MET CG . . . . . . . . . c25522_2n0e 1 . 6 . 889 . 1 1 10 MET H H -0.893 -4.514 2.831 . . . 1.0 . . . . . . . . . . . . A . 10 MET H . . . . . . . . . c25522_2n0e 1 . 6 . 890 . 1 1 10 MET HA H -2.888 -6.521 3.419 . . . 1.0 . . . . . . . . . . . . A . 10 MET HA . . . . . . . . . c25522_2n0e 1 . 6 . 891 . 1 1 10 MET HB2 H -2.793 -5.678 5.674 . . . 1.0 . . . . . . . . . . . . A . 10 MET HB2 . . . . . . . . . c25522_2n0e 1 . 6 . 892 . 1 1 10 MET HB3 H -1.342 -6.234 5.173 . . . 1.0 . . . . . . . . . . . . A . 10 MET HB3 . . . . . . . . . c25522_2n0e 1 . 6 . 893 . 1 1 10 MET HE1 H 0.343 -1.890 5.049 . . . 1.0 . . . . . . . . . . . . A . 10 MET HE1 . . . . . . . . . c25522_2n0e 1 . 6 . 894 . 1 1 10 MET HE2 H 0.464 -2.329 6.617 . . . 1.0 . . . . . . . . . . . . A . 10 MET HE2 . . . . . . . . . c25522_2n0e 1 . 6 . 895 . 1 1 10 MET HE3 H 1.782 -2.368 5.655 . . . 1.0 . . . . . . . . . . . . A . 10 MET HE3 . . . . . . . . . c25522_2n0e 1 . 6 . 896 . 1 1 10 MET HG2 H -1.767 -3.489 4.770 . . . 1.0 . . . . . . . . . . . . A . 10 MET HG2 . . . . . . . . . c25522_2n0e 1 . 6 . 897 . 1 1 10 MET HG3 H -1.648 -3.947 6.332 . . . 1.0 . . . . . . . . . . . . A . 10 MET HG3 . . . . . . . . . c25522_2n0e 1 . 6 . 898 . 1 1 10 MET N N -1.486 -5.302 2.667 . . . 1.0 . . . . . . . . . . . . A . 10 MET N . . . . . . . . . c25522_2n0e 1 . 6 . 899 . 1 1 10 MET O O -4.709 -4.693 4.172 . . . 1.0 . . . . . . . . . . . . A . 10 MET O . . . . . . . . . c25522_2n0e 1 . 6 . 900 . 1 1 10 MET SD S 0.399 -4.201 5.248 . . . 1.0 . . . . . . . . . . . . A . 10 MET SD . . . . . . . . . c25522_2n0e 1 . 7 . 901 . 1 1 1 GLY C C -0.115 9.467 3.219 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c25522_2n0e 1 . 7 . 902 . 1 1 1 GLY CA C -0.402 10.790 2.537 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c25522_2n0e 1 . 7 . 903 . 1 1 1 GLY H1 H -1.639 11.531 3.949 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c25522_2n0e 1 . 7 . 904 . 1 1 1 GLY H2 H -1.806 12.239 2.486 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H2 . . . . . . . . . c25522_2n0e 1 . 7 . 905 . 1 1 1 GLY H3 H -2.409 10.743 2.744 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H3 . . . . . . . . . c25522_2n0e 1 . 7 . 906 . 1 1 1 GLY HA2 H -0.434 10.641 1.549 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c25522_2n0e 1 . 7 . 907 . 1 1 1 GLY HA3 H 0.336 11.430 2.754 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c25522_2n0e 1 . 7 . 908 . 1 1 1 GLY N N -1.662 11.371 2.962 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c25522_2n0e 1 . 7 . 909 . 1 1 1 GLY O O 0.952 9.281 3.803 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c25522_2n0e 1 . 7 . 910 . 1 1 2 ASN C C 0.166 6.422 3.052 . . . 1.0 . . . . . . . . . . . . A . 2 ASN C . . . . . . . . . c25522_2n0e 1 . 7 . 911 . 1 1 2 ASN CA C -0.915 7.233 3.762 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CA . . . . . . . . . c25522_2n0e 1 . 7 . 912 . 1 1 2 ASN CB C -2.242 6.473 3.733 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CB . . . . . . . . . c25522_2n0e 1 . 7 . 913 . 1 1 2 ASN CG C -3.083 6.729 4.968 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CG . . . . . . . . . c25522_2n0e 1 . 7 . 914 . 1 1 2 ASN H H -1.915 8.756 2.654 . . . 1.0 . . . . . . . . . . . . A . 2 ASN H . . . . . . . . . c25522_2n0e 1 . 7 . 915 . 1 1 2 ASN HA H -0.593 7.388 4.696 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HA . . . . . . . . . c25522_2n0e 1 . 7 . 916 . 1 1 2 ASN HB2 H -2.759 6.761 2.927 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HB2 . . . . . . . . . c25522_2n0e 1 . 7 . 917 . 1 1 2 ASN HB3 H -2.049 5.494 3.673 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HB3 . . . . . . . . . c25522_2n0e 1 . 7 . 918 . 1 1 2 ASN HD21 H -1.659 5.918 6.155 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HD21 . . . . . . . . . c25522_2n0e 1 . 7 . 919 . 1 1 2 ASN HD22 H -3.070 6.494 6.977 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HD22 . . . . . . . . . c25522_2n0e 1 . 7 . 920 . 1 1 2 ASN N N -1.070 8.545 3.145 . . . 1.0 . . . . . . . . . . . . A . 2 ASN N . . . . . . . . . c25522_2n0e 1 . 7 . 921 . 1 1 2 ASN ND2 N -2.561 6.349 6.129 . . . 1.0 . . . . . . . . . . . . A . 2 ASN ND2 . . . . . . . . . c25522_2n0e 1 . 7 . 922 . 1 1 2 ASN O O 0.773 6.887 2.088 . . . 1.0 . . . . . . . . . . . . A . 2 ASN O . . . . . . . . . c25522_2n0e 1 . 7 . 923 . 1 1 2 ASN OD1 O -4.188 7.263 4.880 . . . 1.0 . . . . . . . . . . . . A . 2 ASN OD1 . . . . . . . . . c25522_2n0e 1 . 7 . 924 . 1 1 3 HIS C C 0.856 3.627 1.709 . . . 1.0 . . . . . . . . . . . . A . 3 HIS C . . . . . . . . . c25522_2n0e 1 . 7 . 925 . 1 1 3 HIS CA C 1.405 4.329 2.948 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CA . . . . . . . . . c25522_2n0e 1 . 7 . 926 . 1 1 3 HIS CB C 1.872 3.292 3.970 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CB . . . . . . . . . c25522_2n0e 1 . 7 . 927 . 1 1 3 HIS CD2 C 4.231 2.297 3.536 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CD2 . . . . . . . . . c25522_2n0e 1 . 7 . 928 . 1 1 3 HIS CE1 C 5.383 3.724 4.732 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CE1 . . . . . . . . . c25522_2n0e 1 . 7 . 929 . 1 1 3 HIS CG C 3.368 3.196 4.088 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CG . . . . . . . . . c25522_2n0e 1 . 7 . 930 . 1 1 3 HIS H H -0.128 4.885 4.324 . . . 1.0 . . . . . . . . . . . . A . 3 HIS H . . . . . . . . . c25522_2n0e 1 . 7 . 931 . 1 1 3 HIS HA H 2.181 4.893 2.666 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HA . . . . . . . . . c25522_2n0e 1 . 7 . 932 . 1 1 3 HIS HB2 H 1.501 3.538 4.865 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HB2 . . . . . . . . . c25522_2n0e 1 . 7 . 933 . 1 1 3 HIS HB3 H 1.519 2.397 3.698 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HB3 . . . . . . . . . c25522_2n0e 1 . 7 . 934 . 1 1 3 HIS HD2 H 3.991 1.530 2.941 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HD2 . . . . . . . . . c25522_2n0e 1 . 7 . 935 . 1 1 3 HIS HE1 H 6.149 4.192 5.173 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HE1 . . . . . . . . . c25522_2n0e 1 . 7 . 936 . 1 1 3 HIS HE2 H 6.366 2.194 3.731 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HE2 . . . . . . . . . c25522_2n0e 1 . 7 . 937 . 1 1 3 HIS N N 0.399 5.206 3.537 . . . 1.0 . . . . . . . . . . . . A . 3 HIS N . . . . . . . . . c25522_2n0e 1 . 7 . 938 . 1 1 3 HIS ND1 N 4.113 4.089 4.840 . . . 1.0 . . . . . . . . . . . . A . 3 HIS ND1 . . . . . . . . . c25522_2n0e 1 . 7 . 939 . 1 1 3 HIS NE2 N 5.503 2.646 3.954 . . . 1.0 . . . . . . . . . . . . A . 3 HIS NE2 . . . . . . . . . c25522_2n0e 1 . 7 . 940 . 1 1 3 HIS O O -0.228 3.956 1.227 . . . 1.0 . . . . . . . . . . . . A . 3 HIS O . . . . . . . . . c25522_2n0e 1 . 7 . 941 . 1 1 4 TRP C C 0.846 0.472 0.381 . . . 1.0 . . . . . . . . . . . . A . 4 TRP C . . . . . . . . . c25522_2n0e 1 . 7 . 942 . 1 1 4 TRP CA C 1.198 1.911 0.019 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CA . . . . . . . . . c25522_2n0e 1 . 7 . 943 . 1 1 4 TRP CB C 2.309 1.929 -1.032 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CB . . . . . . . . . c25522_2n0e 1 . 7 . 944 . 1 1 4 TRP CD1 C 4.563 2.274 0.136 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CD1 . . . . . . . . . c25522_2n0e 1 . 7 . 945 . 1 1 4 TRP CD2 C 4.197 0.176 -0.557 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CD2 . . . . . . . . . c25522_2n0e 1 . 7 . 946 . 1 1 4 TRP CE2 C 5.461 0.231 0.064 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CE2 . . . . . . . . . c25522_2n0e 1 . 7 . 947 . 1 1 4 TRP CE3 C 3.751 -1.044 -1.071 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CE3 . . . . . . . . . c25522_2n0e 1 . 7 . 948 . 1 1 4 TRP CG C 3.639 1.494 -0.500 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CG . . . . . . . . . c25522_2n0e 1 . 7 . 949 . 1 1 4 TRP CH2 C 5.818 -2.071 -0.331 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CH2 . . . . . . . . . c25522_2n0e 1 . 7 . 950 . 1 1 4 TRP CZ2 C 6.280 -0.888 0.182 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CZ2 . . . . . . . . . c25522_2n0e 1 . 7 . 951 . 1 1 4 TRP CZ3 C 4.566 -2.154 -0.953 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CZ3 . . . . . . . . . c25522_2n0e 1 . 7 . 952 . 1 1 4 TRP H H 2.481 2.438 1.640 . . . 1.0 . . . . . . . . . . . . A . 4 TRP H . . . . . . . . . c25522_2n0e 1 . 7 . 953 . 1 1 4 TRP HA H 0.367 2.342 -0.333 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HA . . . . . . . . . c25522_2n0e 1 . 7 . 954 . 1 1 4 TRP HB2 H 2.052 1.315 -1.778 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HB2 . . . . . . . . . c25522_2n0e 1 . 7 . 955 . 1 1 4 TRP HB3 H 2.400 2.861 -1.384 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HB3 . . . . . . . . . c25522_2n0e 1 . 7 . 956 . 1 1 4 TRP HD1 H 4.457 3.250 0.326 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HD1 . . . . . . . . . c25522_2n0e 1 . 7 . 957 . 1 1 4 TRP HE1 H 6.474 1.858 0.950 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HE1 . . . . . . . . . c25522_2n0e 1 . 7 . 958 . 1 1 4 TRP HE3 H 2.858 -1.114 -1.516 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HE3 . . . . . . . . . c25522_2n0e 1 . 7 . 959 . 1 1 4 TRP HH2 H 6.384 -2.893 -0.261 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HH2 . . . . . . . . . c25522_2n0e 1 . 7 . 960 . 1 1 4 TRP HZ2 H 7.174 -0.826 0.626 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HZ2 . . . . . . . . . c25522_2n0e 1 . 7 . 961 . 1 1 4 TRP HZ3 H 4.255 -3.031 -1.319 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HZ3 . . . . . . . . . c25522_2n0e 1 . 7 . 962 . 1 1 4 TRP N N 1.610 2.659 1.201 . . . 1.0 . . . . . . . . . . . . A . 4 TRP N . . . . . . . . . c25522_2n0e 1 . 7 . 963 . 1 1 4 TRP NE1 N 5.660 1.521 0.477 . . . 1.0 . . . . . . . . . . . . A . 4 TRP NE1 . . . . . . . . . c25522_2n0e 1 . 7 . 964 . 1 1 4 TRP O O -0.178 -0.054 -0.054 . . . 1.0 . . . . . . . . . . . . A . 4 TRP O . . . . . . . . . c25522_2n0e 1 . 7 . 965 . 1 1 5 ALA C C 0.094 -1.706 2.212 . . . 1.0 . . . . . . . . . . . . A . 5 ALA C . . . . . . . . . c25522_2n0e 1 . 7 . 966 . 1 1 5 ALA CA C 1.479 -1.537 1.598 . . . 1.0 . . . . . . . . . . . . A . 5 ALA CA . . . . . . . . . c25522_2n0e 1 . 7 . 967 . 1 1 5 ALA CB C 2.553 -1.966 2.588 . . . 1.0 . . . . . . . . . . . . A . 5 ALA CB . . . . . . . . . c25522_2n0e 1 . 7 . 968 . 1 1 5 ALA H H 2.518 0.321 1.495 . . . 1.0 . . . . . . . . . . . . A . 5 ALA H . . . . . . . . . c25522_2n0e 1 . 7 . 969 . 1 1 5 ALA HA H 1.540 -2.127 0.793 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HA . . . . . . . . . c25522_2n0e 1 . 7 . 970 . 1 1 5 ALA HB1 H 2.523 -1.368 3.389 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB1 . . . . . . . . . c25522_2n0e 1 . 7 . 971 . 1 1 5 ALA HB2 H 2.393 -2.912 2.872 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB2 . . . . . . . . . c25522_2n0e 1 . 7 . 972 . 1 1 5 ALA HB3 H 3.451 -1.895 2.153 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB3 . . . . . . . . . c25522_2n0e 1 . 7 . 973 . 1 1 5 ALA N N 1.701 -0.160 1.177 . . . 1.0 . . . . . . . . . . . . A . 5 ALA N . . . . . . . . . c25522_2n0e 1 . 7 . 974 . 1 1 5 ALA O O -0.494 -2.787 2.154 . . . 1.0 . . . . . . . . . . . . A . 5 ALA O . . . . . . . . . c25522_2n0e 1 . 7 . 975 . 1 1 6 VAL C C -2.788 -1.217 2.467 . . . 1.0 . . . . . . . . . . . . A . 6 VAL C . . . . . . . . . c25522_2n0e 1 . 7 . 976 . 1 1 6 VAL CA C -1.742 -0.661 3.425 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CA . . . . . . . . . c25522_2n0e 1 . 7 . 977 . 1 1 6 VAL CB C -2.174 0.740 3.888 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CB . . . . . . . . . c25522_2n0e 1 . 7 . 978 . 1 1 6 VAL CG1 C -1.222 1.272 4.948 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CG1 . . . . . . . . . c25522_2n0e 1 . 7 . 979 . 1 1 6 VAL CG2 C -2.251 1.693 2.703 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CG2 . . . . . . . . . c25522_2n0e 1 . 7 . 980 . 1 1 6 VAL H H 0.105 0.217 2.817 . . . 1.0 . . . . . . . . . . . . A . 6 VAL H . . . . . . . . . c25522_2n0e 1 . 7 . 981 . 1 1 6 VAL HA H -1.693 -1.275 4.212 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HA . . . . . . . . . c25522_2n0e 1 . 7 . 982 . 1 1 6 VAL HB H -3.077 0.655 4.309 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HB . . . . . . . . . c25522_2n0e 1 . 7 . 983 . 1 1 6 VAL HG11 H -0.297 1.333 4.574 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG11 . . . . . . . . . c25522_2n0e 1 . 7 . 984 . 1 1 6 VAL HG12 H -1.529 2.182 5.228 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG12 . . . . . . . . . c25522_2n0e 1 . 7 . 985 . 1 1 6 VAL HG13 H -1.221 0.662 5.741 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG13 . . . . . . . . . c25522_2n0e 1 . 7 . 986 . 1 1 6 VAL HG21 H -2.919 1.353 2.041 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG21 . . . . . . . . . c25522_2n0e 1 . 7 . 987 . 1 1 6 VAL HG22 H -2.533 2.596 3.027 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG22 . . . . . . . . . c25522_2n0e 1 . 7 . 988 . 1 1 6 VAL HG23 H -1.354 1.761 2.267 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG23 . . . . . . . . . c25522_2n0e 1 . 7 . 989 . 1 1 6 VAL N N -0.423 -0.632 2.801 . . . 1.0 . . . . . . . . . . . . A . 6 VAL N . . . . . . . . . c25522_2n0e 1 . 7 . 990 . 1 1 6 VAL O O -3.771 -1.826 2.891 . . . 1.0 . . . . . . . . . . . . A . 6 VAL O . . . . . . . . . c25522_2n0e 1 . 7 . 991 . 1 1 7 GLY C C -2.862 -2.430 -0.818 . . . 1.0 . . . . . . . . . . . . A . 7 GLY C . . . . . . . . . c25522_2n0e 1 . 7 . 992 . 1 1 7 GLY CA C -3.510 -1.487 0.176 . . . 1.0 . . . . . . . . . . . . A . 7 GLY CA . . . . . . . . . c25522_2n0e 1 . 7 . 993 . 1 1 7 GLY H H -1.760 -0.500 0.885 . . . 1.0 . . . . . . . . . . . . A . 7 GLY H . . . . . . . . . c25522_2n0e 1 . 7 . 994 . 1 1 7 GLY HA2 H -4.252 -1.971 0.640 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA2 . . . . . . . . . c25522_2n0e 1 . 7 . 995 . 1 1 7 GLY HA3 H -3.883 -0.704 -0.321 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA3 . . . . . . . . . c25522_2n0e 1 . 7 . 996 . 1 1 7 GLY N N -2.575 -1.002 1.174 . . . 1.0 . . . . . . . . . . . . A . 7 GLY N . . . . . . . . . c25522_2n0e 1 . 7 . 997 . 1 1 7 GLY O O -3.510 -3.337 -1.340 . . . 1.0 . . . . . . . . . . . . A . 7 GLY O . . . . . . . . . c25522_2n0e 1 . 7 . 998 . 1 1 8 HIS C C -0.464 -4.387 -1.380 . . . 1.0 . . . . . . . . . . . . A . 8 HIS C . . . . . . . . . c25522_2n0e 1 . 7 . 999 . 1 1 8 HIS CA C -0.839 -3.054 -2.020 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CA . . . . . . . . . c25522_2n0e 1 . 7 . 1000 . 1 1 8 HIS CB C 0.420 -2.333 -2.500 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CB . . . . . . . . . c25522_2n0e 1 . 7 . 1001 . 1 1 8 HIS CD2 C -0.567 -1.554 -4.772 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CD2 . . . . . . . . . c25522_2n0e 1 . 7 . 1002 . 1 1 8 HIS CE1 C 1.217 -1.877 -6.000 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CE1 . . . . . . . . . c25522_2n0e 1 . 7 . 1003 . 1 1 8 HIS CG C 0.427 -2.035 -3.974 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CG . . . . . . . . . c25522_2n0e 1 . 7 . 1004 . 1 1 8 HIS H H -1.103 -1.462 -0.626 . . . 1.0 . . . . . . . . . . . . A . 8 HIS H . . . . . . . . . c25522_2n0e 1 . 7 . 1005 . 1 1 8 HIS HA H -1.434 -3.242 -2.802 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HA . . . . . . . . . c25522_2n0e 1 . 7 . 1006 . 1 1 8 HIS HB2 H 0.497 -1.468 -2.005 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HB2 . . . . . . . . . c25522_2n0e 1 . 7 . 1007 . 1 1 8 HIS HB3 H 1.212 -2.907 -2.293 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HB3 . . . . . . . . . c25522_2n0e 1 . 7 . 1008 . 1 1 8 HIS HD2 H -1.495 -1.314 -4.487 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HD2 . . . . . . . . . c25522_2n0e 1 . 7 . 1009 . 1 1 8 HIS HE1 H 1.833 -1.914 -6.787 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HE1 . . . . . . . . . c25522_2n0e 1 . 7 . 1010 . 1 1 8 HIS HE2 H -0.517 -1.143 -6.878 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HE2 . . . . . . . . . c25522_2n0e 1 . 7 . 1011 . 1 1 8 HIS N N -1.576 -2.216 -1.082 . . . 1.0 . . . . . . . . . . . . A . 8 HIS N . . . . . . . . . c25522_2n0e 1 . 7 . 1012 . 1 1 8 HIS ND1 N 1.545 -2.233 -4.768 . . . 1.0 . . . . . . . . . . . . A . 8 HIS ND1 . . . . . . . . . c25522_2n0e 1 . 7 . 1013 . 1 1 8 HIS NE2 N -0.051 -1.460 -6.052 . . . 1.0 . . . . . . . . . . . . A . 8 HIS NE2 . . . . . . . . . c25522_2n0e 1 . 7 . 1014 . 1 1 8 HIS O O -0.172 -5.362 -2.075 . . . 1.0 . . . . . . . . . . . . A . 8 HIS O . . . . . . . . . c25522_2n0e 1 . 7 . 1015 . 1 1 9 LEU C C -1.284 -6.065 1.589 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . c25522_2n0e 1 . 7 . 1016 . 1 1 9 LEU CA C -0.135 -5.638 0.682 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . c25522_2n0e 1 . 7 . 1017 . 1 1 9 LEU CB C 1.130 -5.418 1.513 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . c25522_2n0e 1 . 7 . 1018 . 1 1 9 LEU CD1 C 3.627 -5.337 1.710 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . c25522_2n0e 1 . 7 . 1019 . 1 1 9 LEU CD2 C 2.545 -7.065 0.261 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . c25522_2n0e 1 . 7 . 1020 . 1 1 9 LEU CG C 2.458 -5.639 0.787 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . c25522_2n0e 1 . 7 . 1021 . 1 1 9 LEU H H -0.720 -3.598 0.457 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . c25522_2n0e 1 . 7 . 1022 . 1 1 9 LEU HA H 0.028 -6.369 0.019 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . c25522_2n0e 1 . 7 . 1023 . 1 1 9 LEU HB2 H 1.118 -4.475 1.846 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . c25522_2n0e 1 . 7 . 1024 . 1 1 9 LEU HB3 H 1.099 -6.046 2.290 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . c25522_2n0e 1 . 7 . 1025 . 1 1 9 LEU HD11 H 3.589 -5.941 2.506 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . c25522_2n0e 1 . 7 . 1026 . 1 1 9 LEU HD12 H 4.485 -5.487 1.219 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . c25522_2n0e 1 . 7 . 1027 . 1 1 9 LEU HD13 H 3.577 -4.385 2.011 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . c25522_2n0e 1 . 7 . 1028 . 1 1 9 LEU HD21 H 1.788 -7.225 -0.373 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . c25522_2n0e 1 . 7 . 1029 . 1 1 9 LEU HD22 H 3.413 -7.209 -0.213 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . c25522_2n0e 1 . 7 . 1030 . 1 1 9 LEU HD23 H 2.476 -7.701 1.030 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . c25522_2n0e 1 . 7 . 1031 . 1 1 9 LEU HG H 2.501 -5.034 -0.008 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . c25522_2n0e 1 . 7 . 1032 . 1 1 9 LEU N N -0.474 -4.423 -0.052 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . c25522_2n0e 1 . 7 . 1033 . 1 1 9 LEU O O -1.953 -7.065 1.330 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . c25522_2n0e 1 . 7 . 1034 . 1 1 10 MET C C -3.733 -4.608 3.439 . . . 1.0 . . . . . . . . . . . . A . 10 MET C . . . . . . . . . c25522_2n0e 1 . 7 . 1035 . 1 1 10 MET CA C -2.582 -5.596 3.594 . . . 1.0 . . . . . . . . . . . . A . 10 MET CA . . . . . . . . . c25522_2n0e 1 . 7 . 1036 . 1 1 10 MET CB C -2.052 -5.560 5.029 . . . 1.0 . . . . . . . . . . . . A . 10 MET CB . . . . . . . . . c25522_2n0e 1 . 7 . 1037 . 1 1 10 MET CE C 0.961 -3.655 5.854 . . . 1.0 . . . . . . . . . . . . A . 10 MET CE . . . . . . . . . c25522_2n0e 1 . 7 . 1038 . 1 1 10 MET CG C -1.744 -4.158 5.527 . . . 1.0 . . . . . . . . . . . . A . 10 MET CG . . . . . . . . . c25522_2n0e 1 . 7 . 1039 . 1 1 10 MET H H -0.931 -4.498 2.807 . . . 1.0 . . . . . . . . . . . . A . 10 MET H . . . . . . . . . c25522_2n0e 1 . 7 . 1040 . 1 1 10 MET HA H -2.932 -6.508 3.381 . . . 1.0 . . . . . . . . . . . . A . 10 MET HA . . . . . . . . . c25522_2n0e 1 . 7 . 1041 . 1 1 10 MET HB2 H -2.740 -5.965 5.631 . . . 1.0 . . . . . . . . . . . . A . 10 MET HB2 . . . . . . . . . c25522_2n0e 1 . 7 . 1042 . 1 1 10 MET HB3 H -1.212 -6.102 5.071 . . . 1.0 . . . . . . . . . . . . A . 10 MET HB3 . . . . . . . . . c25522_2n0e 1 . 7 . 1043 . 1 1 10 MET HE1 H 1.121 -4.332 5.136 . . . 1.0 . . . . . . . . . . . . A . 10 MET HE1 . . . . . . . . . c25522_2n0e 1 . 7 . 1044 . 1 1 10 MET HE2 H 0.793 -2.761 5.438 . . . 1.0 . . . . . . . . . . . . A . 10 MET HE2 . . . . . . . . . c25522_2n0e 1 . 7 . 1045 . 1 1 10 MET HE3 H 1.765 -3.601 6.447 . . . 1.0 . . . . . . . . . . . . A . 10 MET HE3 . . . . . . . . . c25522_2n0e 1 . 7 . 1046 . 1 1 10 MET HG2 H -1.432 -3.610 4.751 . . . 1.0 . . . . . . . . . . . . A . 10 MET HG2 . . . . . . . . . c25522_2n0e 1 . 7 . 1047 . 1 1 10 MET HG3 H -2.585 -3.763 5.896 . . . 1.0 . . . . . . . . . . . . A . 10 MET HG3 . . . . . . . . . c25522_2n0e 1 . 7 . 1048 . 1 1 10 MET N N -1.510 -5.298 2.651 . . . 1.0 . . . . . . . . . . . . A . 10 MET N . . . . . . . . . c25522_2n0e 1 . 7 . 1049 . 1 1 10 MET O O -4.804 -4.958 2.942 . . . 1.0 . . . . . . . . . . . . A . 10 MET O . . . . . . . . . c25522_2n0e 1 . 7 . 1050 . 1 1 10 MET SD S -0.475 -4.139 6.808 . . . 1.0 . . . . . . . . . . . . A . 10 MET SD . . . . . . . . . c25522_2n0e 1 . 8 . 1051 . 1 1 1 GLY C C -0.377 9.592 3.657 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c25522_2n0e 1 . 8 . 1052 . 1 1 1 GLY CA C -0.616 10.915 2.956 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c25522_2n0e 1 . 8 . 1053 . 1 1 1 GLY H1 H -1.502 11.857 4.505 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c25522_2n0e 1 . 8 . 1054 . 1 1 1 GLY H2 H -1.828 12.526 3.052 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H2 . . . . . . . . . c25522_2n0e 1 . 8 . 1055 . 1 1 1 GLY H3 H -2.551 11.129 3.488 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H3 . . . . . . . . . c25522_2n0e 1 . 8 . 1056 . 1 1 1 GLY HA2 H -0.831 10.735 1.996 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c25522_2n0e 1 . 8 . 1057 . 1 1 1 GLY HA3 H 0.218 11.464 3.013 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c25522_2n0e 1 . 8 . 1058 . 1 1 1 GLY N N -1.709 11.665 3.546 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c25522_2n0e 1 . 8 . 1059 . 1 1 1 GLY O O 0.412 9.514 4.598 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c25522_2n0e 1 . 8 . 1060 . 1 1 2 ASN C C 0.167 6.424 3.080 . . . 1.0 . . . . . . . . . . . . A . 2 ASN C . . . . . . . . . c25522_2n0e 1 . 8 . 1061 . 1 1 2 ASN CA C -0.922 7.223 3.790 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CA . . . . . . . . . c25522_2n0e 1 . 8 . 1062 . 1 1 2 ASN CB C -2.251 6.469 3.720 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CB . . . . . . . . . c25522_2n0e 1 . 8 . 1063 . 1 1 2 ASN CG C -3.118 6.711 4.940 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CG . . . . . . . . . c25522_2n0e 1 . 8 . 1064 . 1 1 2 ASN H H -1.688 8.676 2.429 . . . 1.0 . . . . . . . . . . . . A . 2 ASN H . . . . . . . . . c25522_2n0e 1 . 8 . 1065 . 1 1 2 ASN HA H -0.615 7.357 4.732 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HA . . . . . . . . . c25522_2n0e 1 . 8 . 1066 . 1 1 2 ASN HB2 H -2.749 6.771 2.907 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HB2 . . . . . . . . . c25522_2n0e 1 . 8 . 1067 . 1 1 2 ASN HB3 H -2.061 5.490 3.650 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HB3 . . . . . . . . . c25522_2n0e 1 . 8 . 1068 . 1 1 2 ASN HD21 H -2.746 8.698 4.858 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HD21 . . . . . . . . . c25522_2n0e 1 . 8 . 1069 . 1 1 2 ASN HD22 H -3.782 8.190 6.150 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HD22 . . . . . . . . . c25522_2n0e 1 . 8 . 1070 . 1 1 2 ASN N N -1.062 8.549 3.198 . . . 1.0 . . . . . . . . . . . . A . 2 ASN N . . . . . . . . . c25522_2n0e 1 . 8 . 1071 . 1 1 2 ASN ND2 N -3.224 7.970 5.350 . . . 1.0 . . . . . . . . . . . . A . 2 ASN ND2 . . . . . . . . . c25522_2n0e 1 . 8 . 1072 . 1 1 2 ASN O O 0.796 6.910 2.139 . . . 1.0 . . . . . . . . . . . . A . 2 ASN O . . . . . . . . . c25522_2n0e 1 . 8 . 1073 . 1 1 2 ASN OD1 O -3.685 5.778 5.508 . . . 1.0 . . . . . . . . . . . . A . 2 ASN OD1 . . . . . . . . . c25522_2n0e 1 . 8 . 1074 . 1 1 3 HIS C C 0.852 3.623 1.708 . . . 1.0 . . . . . . . . . . . . A . 3 HIS C . . . . . . . . . c25522_2n0e 1 . 8 . 1075 . 1 1 3 HIS CA C 1.398 4.328 2.946 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CA . . . . . . . . . c25522_2n0e 1 . 8 . 1076 . 1 1 3 HIS CB C 1.874 3.293 3.967 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CB . . . . . . . . . c25522_2n0e 1 . 8 . 1077 . 1 1 3 HIS CD2 C 4.235 2.313 3.508 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CD2 . . . . . . . . . c25522_2n0e 1 . 8 . 1078 . 1 1 3 HIS CE1 C 5.388 3.730 4.713 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CE1 . . . . . . . . . c25522_2n0e 1 . 8 . 1079 . 1 1 3 HIS CG C 3.372 3.201 4.075 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CG . . . . . . . . . c25522_2n0e 1 . 8 . 1080 . 1 1 3 HIS H H -0.159 4.858 4.305 . . . 1.0 . . . . . . . . . . . . A . 3 HIS H . . . . . . . . . c25522_2n0e 1 . 8 . 1081 . 1 1 3 HIS HA H 2.169 4.898 2.663 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HA . . . . . . . . . c25522_2n0e 1 . 8 . 1082 . 1 1 3 HIS HB2 H 1.508 3.540 4.864 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HB2 . . . . . . . . . c25522_2n0e 1 . 8 . 1083 . 1 1 3 HIS HB3 H 1.522 2.396 3.699 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HB3 . . . . . . . . . c25522_2n0e 1 . 8 . 1084 . 1 1 3 HIS HD2 H 3.995 1.551 2.906 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HD2 . . . . . . . . . c25522_2n0e 1 . 8 . 1085 . 1 1 3 HIS HE1 H 6.154 4.196 5.155 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HE1 . . . . . . . . . c25522_2n0e 1 . 8 . 1086 . 1 1 3 HIS HE2 H 6.372 2.218 3.688 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HE2 . . . . . . . . . c25522_2n0e 1 . 8 . 1087 . 1 1 3 HIS N N 0.385 5.196 3.537 . . . 1.0 . . . . . . . . . . . . A . 3 HIS N . . . . . . . . . c25522_2n0e 1 . 8 . 1088 . 1 1 3 HIS ND1 N 4.117 4.089 4.833 . . . 1.0 . . . . . . . . . . . . A . 3 HIS ND1 . . . . . . . . . c25522_2n0e 1 . 8 . 1089 . 1 1 3 HIS NE2 N 5.508 2.663 3.922 . . . 1.0 . . . . . . . . . . . . A . 3 HIS NE2 . . . . . . . . . c25522_2n0e 1 . 8 . 1090 . 1 1 3 HIS O O -0.233 3.946 1.225 . . . 1.0 . . . . . . . . . . . . A . 3 HIS O . . . . . . . . . c25522_2n0e 1 . 8 . 1091 . 1 1 4 TRP C C 0.851 0.470 0.380 . . . 1.0 . . . . . . . . . . . . A . 4 TRP C . . . . . . . . . c25522_2n0e 1 . 8 . 1092 . 1 1 4 TRP CA C 1.205 1.908 0.017 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CA . . . . . . . . . c25522_2n0e 1 . 8 . 1093 . 1 1 4 TRP CB C 2.319 1.924 -1.030 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CB . . . . . . . . . c25522_2n0e 1 . 8 . 1094 . 1 1 4 TRP CD1 C 4.570 2.281 0.142 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CD1 . . . . . . . . . c25522_2n0e 1 . 8 . 1095 . 1 1 4 TRP CD2 C 4.208 0.178 -0.533 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CD2 . . . . . . . . . c25522_2n0e 1 . 8 . 1096 . 1 1 4 TRP CE2 C 5.470 0.239 0.091 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CE2 . . . . . . . . . c25522_2n0e 1 . 8 . 1097 . 1 1 4 TRP CE3 C 3.765 -1.048 -1.038 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CE3 . . . . . . . . . c25522_2n0e 1 . 8 . 1098 . 1 1 4 TRP CG C 3.650 1.495 -0.489 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CG . . . . . . . . . c25522_2n0e 1 . 8 . 1099 . 1 1 4 TRP CH2 C 5.832 -2.065 -0.282 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CH2 . . . . . . . . . c25522_2n0e 1 . 8 . 1100 . 1 1 4 TRP CZ2 C 6.290 -0.878 0.221 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CZ2 . . . . . . . . . c25522_2n0e 1 . 8 . 1101 . 1 1 4 TRP CZ3 C 4.581 -2.156 -0.908 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CZ3 . . . . . . . . . c25522_2n0e 1 . 8 . 1102 . 1 1 4 TRP H H 2.484 2.441 1.639 . . . 1.0 . . . . . . . . . . . . A . 4 TRP H . . . . . . . . . c25522_2n0e 1 . 8 . 1103 . 1 1 4 TRP HA H 0.376 2.339 -0.339 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HA . . . . . . . . . c25522_2n0e 1 . 8 . 1104 . 1 1 4 TRP HB2 H 2.067 1.305 -1.774 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HB2 . . . . . . . . . c25522_2n0e 1 . 8 . 1105 . 1 1 4 TRP HB3 H 2.409 2.854 -1.386 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HB3 . . . . . . . . . c25522_2n0e 1 . 8 . 1106 . 1 1 4 TRP HD1 H 4.462 3.259 0.322 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HD1 . . . . . . . . . c25522_2n0e 1 . 8 . 1107 . 1 1 4 TRP HE1 H 6.479 1.873 0.968 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HE1 . . . . . . . . . c25522_2n0e 1 . 8 . 1108 . 1 1 4 TRP HE3 H 2.874 -1.123 -1.486 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HE3 . . . . . . . . . c25522_2n0e 1 . 8 . 1109 . 1 1 4 TRP HH2 H 6.398 -2.885 -0.203 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HH2 . . . . . . . . . c25522_2n0e 1 . 8 . 1110 . 1 1 4 TRP HZ2 H 7.182 -0.811 0.667 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HZ2 . . . . . . . . . c25522_2n0e 1 . 8 . 1111 . 1 1 4 TRP HZ3 H 4.273 -3.037 -1.267 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HZ3 . . . . . . . . . c25522_2n0e 1 . 8 . 1112 . 1 1 4 TRP N N 1.612 2.658 1.200 . . . 1.0 . . . . . . . . . . . . A . 4 TRP N . . . . . . . . . c25522_2n0e 1 . 8 . 1113 . 1 1 4 TRP NE1 N 5.667 1.532 0.494 . . . 1.0 . . . . . . . . . . . . A . 4 TRP NE1 . . . . . . . . . c25522_2n0e 1 . 8 . 1114 . 1 1 4 TRP O O -0.174 -0.054 -0.054 . . . 1.0 . . . . . . . . . . . . A . 4 TRP O . . . . . . . . . c25522_2n0e 1 . 8 . 1115 . 1 1 5 ALA C C 0.095 -1.705 2.214 . . . 1.0 . . . . . . . . . . . . A . 5 ALA C . . . . . . . . . c25522_2n0e 1 . 8 . 1116 . 1 1 5 ALA CA C 1.481 -1.539 1.600 . . . 1.0 . . . . . . . . . . . . A . 5 ALA CA . . . . . . . . . c25522_2n0e 1 . 8 . 1117 . 1 1 5 ALA CB C 2.554 -1.969 2.590 . . . 1.0 . . . . . . . . . . . . A . 5 ALA CB . . . . . . . . . c25522_2n0e 1 . 8 . 1118 . 1 1 5 ALA H H 2.523 0.320 1.497 . . . 1.0 . . . . . . . . . . . . A . 5 ALA H . . . . . . . . . c25522_2n0e 1 . 8 . 1119 . 1 1 5 ALA HA H 1.541 -2.129 0.795 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HA . . . . . . . . . c25522_2n0e 1 . 8 . 1120 . 1 1 5 ALA HB1 H 2.525 -1.371 3.391 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB1 . . . . . . . . . c25522_2n0e 1 . 8 . 1121 . 1 1 5 ALA HB2 H 2.392 -2.914 2.874 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB2 . . . . . . . . . c25522_2n0e 1 . 8 . 1122 . 1 1 5 ALA HB3 H 3.452 -1.900 2.155 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB3 . . . . . . . . . c25522_2n0e 1 . 8 . 1123 . 1 1 5 ALA N N 1.706 -0.161 1.178 . . . 1.0 . . . . . . . . . . . . A . 5 ALA N . . . . . . . . . c25522_2n0e 1 . 8 . 1124 . 1 1 5 ALA O O -0.494 -2.784 2.157 . . . 1.0 . . . . . . . . . . . . A . 5 ALA O . . . . . . . . . c25522_2n0e 1 . 8 . 1125 . 1 1 6 VAL C C -2.787 -1.212 2.469 . . . 1.0 . . . . . . . . . . . . A . 6 VAL C . . . . . . . . . c25522_2n0e 1 . 8 . 1126 . 1 1 6 VAL CA C -1.739 -0.657 3.426 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CA . . . . . . . . . c25522_2n0e 1 . 8 . 1127 . 1 1 6 VAL CB C -2.168 0.746 3.887 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CB . . . . . . . . . c25522_2n0e 1 . 8 . 1128 . 1 1 6 VAL CG1 C -1.216 1.277 4.947 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CG1 . . . . . . . . . c25522_2n0e 1 . 8 . 1129 . 1 1 6 VAL CG2 C -2.243 1.698 2.702 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CG2 . . . . . . . . . c25522_2n0e 1 . 8 . 1130 . 1 1 6 VAL H H 0.109 0.218 2.817 . . . 1.0 . . . . . . . . . . . . A . 6 VAL H . . . . . . . . . c25522_2n0e 1 . 8 . 1131 . 1 1 6 VAL HA H -1.691 -1.271 4.214 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HA . . . . . . . . . c25522_2n0e 1 . 8 . 1132 . 1 1 6 VAL HB H -3.072 0.664 4.307 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HB . . . . . . . . . c25522_2n0e 1 . 8 . 1133 . 1 1 6 VAL HG11 H -1.218 0.668 5.740 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG11 . . . . . . . . . c25522_2n0e 1 . 8 . 1134 . 1 1 6 VAL HG12 H -0.290 1.335 4.573 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG12 . . . . . . . . . c25522_2n0e 1 . 8 . 1135 . 1 1 6 VAL HG13 H -1.521 2.188 5.225 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG13 . . . . . . . . . c25522_2n0e 1 . 8 . 1136 . 1 1 6 VAL HG21 H -2.911 1.359 2.040 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG21 . . . . . . . . . c25522_2n0e 1 . 8 . 1137 . 1 1 6 VAL HG22 H -2.523 2.602 3.025 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG22 . . . . . . . . . c25522_2n0e 1 . 8 . 1138 . 1 1 6 VAL HG23 H -1.345 1.763 2.266 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG23 . . . . . . . . . c25522_2n0e 1 . 8 . 1139 . 1 1 6 VAL N N -0.420 -0.630 2.802 . . . 1.0 . . . . . . . . . . . . A . 6 VAL N . . . . . . . . . c25522_2n0e 1 . 8 . 1140 . 1 1 6 VAL O O -3.770 -1.818 2.893 . . . 1.0 . . . . . . . . . . . . A . 6 VAL O . . . . . . . . . c25522_2n0e 1 . 8 . 1141 . 1 1 7 GLY C C -2.861 -2.429 -0.814 . . . 1.0 . . . . . . . . . . . . A . 7 GLY C . . . . . . . . . c25522_2n0e 1 . 8 . 1142 . 1 1 7 GLY CA C -3.508 -1.482 0.177 . . . 1.0 . . . . . . . . . . . . A . 7 GLY CA . . . . . . . . . c25522_2n0e 1 . 8 . 1143 . 1 1 7 GLY H H -1.755 -0.500 0.884 . . . 1.0 . . . . . . . . . . . . A . 7 GLY H . . . . . . . . . c25522_2n0e 1 . 8 . 1144 . 1 1 7 GLY HA2 H -4.252 -1.962 0.641 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA2 . . . . . . . . . c25522_2n0e 1 . 8 . 1145 . 1 1 7 GLY HA3 H -3.878 -0.698 -0.322 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA3 . . . . . . . . . c25522_2n0e 1 . 8 . 1146 . 1 1 7 GLY N N -2.572 -0.999 1.174 . . . 1.0 . . . . . . . . . . . . A . 7 GLY N . . . . . . . . . c25522_2n0e 1 . 8 . 1147 . 1 1 7 GLY O O -3.510 -3.341 -1.328 . . . 1.0 . . . . . . . . . . . . A . 7 GLY O . . . . . . . . . c25522_2n0e 1 . 8 . 1148 . 1 1 8 HIS C C -0.468 -4.386 -1.380 . . . 1.0 . . . . . . . . . . . . A . 8 HIS C . . . . . . . . . c25522_2n0e 1 . 8 . 1149 . 1 1 8 HIS CA C -0.843 -3.054 -2.024 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CA . . . . . . . . . c25522_2n0e 1 . 8 . 1150 . 1 1 8 HIS CB C 0.416 -2.335 -2.506 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CB . . . . . . . . . c25522_2n0e 1 . 8 . 1151 . 1 1 8 HIS CD2 C -0.602 -1.629 -4.788 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CD2 . . . . . . . . . c25522_2n0e 1 . 8 . 1152 . 1 1 8 HIS CE1 C 1.217 -1.808 -5.995 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CE1 . . . . . . . . . c25522_2n0e 1 . 8 . 1153 . 1 1 8 HIS CG C 0.418 -2.033 -3.979 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CG . . . . . . . . . c25522_2n0e 1 . 8 . 1154 . 1 1 8 HIS H H -1.105 -1.456 -0.635 . . . 1.0 . . . . . . . . . . . . A . 8 HIS H . . . . . . . . . c25522_2n0e 1 . 8 . 1155 . 1 1 8 HIS HA H -1.440 -3.244 -2.804 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HA . . . . . . . . . c25522_2n0e 1 . 8 . 1156 . 1 1 8 HIS HB2 H 0.497 -1.471 -2.009 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HB2 . . . . . . . . . c25522_2n0e 1 . 8 . 1157 . 1 1 8 HIS HB3 H 1.207 -2.912 -2.303 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HB3 . . . . . . . . . c25522_2n0e 1 . 8 . 1158 . 1 1 8 HIS HD2 H -1.549 -1.463 -4.514 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HD2 . . . . . . . . . c25522_2n0e 1 . 8 . 1159 . 1 1 8 HIS HE1 H 1.844 -1.795 -6.774 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HE1 . . . . . . . . . c25522_2n0e 1 . 8 . 1160 . 1 1 8 HIS HE2 H -0.558 -1.209 -6.895 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HE2 . . . . . . . . . c25522_2n0e 1 . 8 . 1161 . 1 1 8 HIS N N -1.578 -2.213 -1.085 . . . 1.0 . . . . . . . . . . . . A . 8 HIS N . . . . . . . . . c25522_2n0e 1 . 8 . 1162 . 1 1 8 HIS ND1 N 1.557 -2.141 -4.758 . . . 1.0 . . . . . . . . . . . . A . 8 HIS ND1 . . . . . . . . . c25522_2n0e 1 . 8 . 1163 . 1 1 8 HIS NE2 N -0.079 -1.491 -6.063 . . . 1.0 . . . . . . . . . . . . A . 8 HIS NE2 . . . . . . . . . c25522_2n0e 1 . 8 . 1164 . 1 1 8 HIS O O -0.179 -5.363 -2.072 . . . 1.0 . . . . . . . . . . . . A . 8 HIS O . . . . . . . . . c25522_2n0e 1 . 8 . 1165 . 1 1 9 LEU C C -1.284 -6.055 1.596 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . c25522_2n0e 1 . 8 . 1166 . 1 1 9 LEU CA C -0.136 -5.631 0.685 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . c25522_2n0e 1 . 8 . 1167 . 1 1 9 LEU CB C 1.132 -5.410 1.513 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . c25522_2n0e 1 . 8 . 1168 . 1 1 9 LEU CD1 C 3.629 -5.333 1.703 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . c25522_2n0e 1 . 8 . 1169 . 1 1 9 LEU CD2 C 2.542 -7.065 0.264 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . c25522_2n0e 1 . 8 . 1170 . 1 1 9 LEU CG C 2.456 -5.638 0.784 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . c25522_2n0e 1 . 8 . 1171 . 1 1 9 LEU H H -0.721 -3.593 0.455 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . c25522_2n0e 1 . 8 . 1172 . 1 1 9 LEU HA H 0.025 -6.364 0.024 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . c25522_2n0e 1 . 8 . 1173 . 1 1 9 LEU HB2 H 1.123 -4.466 1.842 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . c25522_2n0e 1 . 8 . 1174 . 1 1 9 LEU HB3 H 1.101 -6.035 2.293 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . c25522_2n0e 1 . 8 . 1175 . 1 1 9 LEU HD11 H 3.582 -4.379 1.999 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . c25522_2n0e 1 . 8 . 1176 . 1 1 9 LEU HD12 H 3.592 -5.932 2.503 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . c25522_2n0e 1 . 8 . 1177 . 1 1 9 LEU HD13 H 4.485 -5.487 1.210 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . c25522_2n0e 1 . 8 . 1178 . 1 1 9 LEU HD21 H 1.783 -7.227 -0.367 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . c25522_2n0e 1 . 8 . 1179 . 1 1 9 LEU HD22 H 3.409 -7.212 -0.212 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . c25522_2n0e 1 . 8 . 1180 . 1 1 9 LEU HD23 H 2.475 -7.697 1.036 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . c25522_2n0e 1 . 8 . 1181 . 1 1 9 LEU HG H 2.498 -5.037 -0.014 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . c25522_2n0e 1 . 8 . 1182 . 1 1 9 LEU N N -0.476 -4.419 -0.052 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . c25522_2n0e 1 . 8 . 1183 . 1 1 9 LEU O O -1.965 -7.045 1.333 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . c25522_2n0e 1 . 8 . 1184 . 1 1 10 MET C C -3.736 -4.632 3.425 . . . 1.0 . . . . . . . . . . . . A . 10 MET C . . . . . . . . . c25522_2n0e 1 . 8 . 1185 . 1 1 10 MET CA C -2.563 -5.589 3.614 . . . 1.0 . . . . . . . . . . . . A . 10 MET CA . . . . . . . . . c25522_2n0e 1 . 8 . 1186 . 1 1 10 MET CB C -2.041 -5.498 5.049 . . . 1.0 . . . . . . . . . . . . A . 10 MET CB . . . . . . . . . c25522_2n0e 1 . 8 . 1187 . 1 1 10 MET CE C 1.064 -3.689 5.871 . . . 1.0 . . . . . . . . . . . . A . 10 MET CE . . . . . . . . . c25522_2n0e 1 . 8 . 1188 . 1 1 10 MET CG C -1.648 -4.089 5.463 . . . 1.0 . . . . . . . . . . . . A . 10 MET CG . . . . . . . . . c25522_2n0e 1 . 8 . 1189 . 1 1 10 MET H H -0.905 -4.503 2.827 . . . 1.0 . . . . . . . . . . . . A . 10 MET H . . . . . . . . . c25522_2n0e 1 . 8 . 1190 . 1 1 10 MET HA H -2.891 -6.515 3.427 . . . 1.0 . . . . . . . . . . . . A . 10 MET HA . . . . . . . . . c25522_2n0e 1 . 8 . 1191 . 1 1 10 MET HB2 H -2.757 -5.821 5.668 . . . 1.0 . . . . . . . . . . . . A . 10 MET HB2 . . . . . . . . . c25522_2n0e 1 . 8 . 1192 . 1 1 10 MET HB3 H -1.237 -6.087 5.132 . . . 1.0 . . . . . . . . . . . . A . 10 MET HB3 . . . . . . . . . c25522_2n0e 1 . 8 . 1193 . 1 1 10 MET HE1 H 1.220 -4.402 5.187 . . . 1.0 . . . . . . . . . . . . A . 10 MET HE1 . . . . . . . . . c25522_2n0e 1 . 8 . 1194 . 1 1 10 MET HE2 H 0.951 -2.807 5.414 . . . 1.0 . . . . . . . . . . . . A . 10 MET HE2 . . . . . . . . . c25522_2n0e 1 . 8 . 1195 . 1 1 10 MET HE3 H 1.848 -3.645 6.491 . . . 1.0 . . . . . . . . . . . . A . 10 MET HE3 . . . . . . . . . c25522_2n0e 1 . 8 . 1196 . 1 1 10 MET HG2 H -1.269 -3.620 4.665 . . . 1.0 . . . . . . . . . . . . A . 10 MET HG2 . . . . . . . . . c25522_2n0e 1 . 8 . 1197 . 1 1 10 MET HG3 H -2.470 -3.611 5.771 . . . 1.0 . . . . . . . . . . . . A . 10 MET HG3 . . . . . . . . . c25522_2n0e 1 . 8 . 1198 . 1 1 10 MET N N -1.494 -5.295 2.667 . . . 1.0 . . . . . . . . . . . . A . 10 MET N . . . . . . . . . c25522_2n0e 1 . 8 . 1199 . 1 1 10 MET O O -4.352 -4.190 4.395 . . . 1.0 . . . . . . . . . . . . A . 10 MET O . . . . . . . . . c25522_2n0e 1 . 8 . 1200 . 1 1 10 MET SD S -0.426 -4.071 6.789 . . . 1.0 . . . . . . . . . . . . A . 10 MET SD . . . . . . . . . c25522_2n0e 1 . 9 . 1201 . 1 1 1 GLY C C -0.586 9.650 3.805 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c25522_2n0e 1 . 9 . 1202 . 1 1 1 GLY CA C -0.798 10.965 3.079 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c25522_2n0e 1 . 9 . 1203 . 1 1 1 GLY H1 H -1.733 10.205 1.460 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c25522_2n0e 1 . 9 . 1204 . 1 1 1 GLY H2 H -1.081 11.681 1.214 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H2 . . . . . . . . . c25522_2n0e 1 . 9 . 1205 . 1 1 1 GLY H3 H -0.118 10.363 1.276 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H3 . . . . . . . . . c25522_2n0e 1 . 9 . 1206 . 1 1 1 GLY HA2 H -0.011 11.557 3.251 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c25522_2n0e 1 . 9 . 1207 . 1 1 1 GLY HA3 H -1.626 11.399 3.435 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c25522_2n0e 1 . 9 . 1208 . 1 1 1 GLY N N -0.944 10.790 1.646 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c25522_2n0e 1 . 9 . 1209 . 1 1 1 GLY O O -0.023 9.621 4.898 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c25522_2n0e 1 . 9 . 1210 . 1 1 2 ASN C C 0.184 6.431 3.078 . . . 1.0 . . . . . . . . . . . . A . 2 ASN C . . . . . . . . . c25522_2n0e 1 . 9 . 1211 . 1 1 2 ASN CA C -0.899 7.236 3.791 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CA . . . . . . . . . c25522_2n0e 1 . 9 . 1212 . 1 1 2 ASN CB C -2.230 6.484 3.734 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CB . . . . . . . . . c25522_2n0e 1 . 9 . 1213 . 1 1 2 ASN CG C -3.081 6.720 4.968 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CG . . . . . . . . . c25522_2n0e 1 . 9 . 1214 . 1 1 2 ASN H H -1.489 8.650 2.306 . . . 1.0 . . . . . . . . . . . . A . 2 ASN H . . . . . . . . . c25522_2n0e 1 . 9 . 1215 . 1 1 2 ASN HA H -0.586 7.373 4.731 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HA . . . . . . . . . c25522_2n0e 1 . 9 . 1216 . 1 1 2 ASN HB2 H -2.738 6.791 2.929 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HB2 . . . . . . . . . c25522_2n0e 1 . 9 . 1217 . 1 1 2 ASN HB3 H -2.042 5.505 3.655 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HB3 . . . . . . . . . c25522_2n0e 1 . 9 . 1218 . 1 1 2 ASN HD21 H -1.657 5.907 6.152 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HD21 . . . . . . . . . c25522_2n0e 1 . 9 . 1219 . 1 1 2 ASN HD22 H -3.077 6.462 6.974 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HD22 . . . . . . . . . c25522_2n0e 1 . 9 . 1220 . 1 1 2 ASN N N -1.040 8.560 3.195 . . . 1.0 . . . . . . . . . . . . A . 2 ASN N . . . . . . . . . c25522_2n0e 1 . 9 . 1221 . 1 1 2 ASN ND2 N -2.562 6.331 6.127 . . . 1.0 . . . . . . . . . . . . A . 2 ASN ND2 . . . . . . . . . c25522_2n0e 1 . 9 . 1222 . 1 1 2 ASN O O 0.807 6.911 2.130 . . . 1.0 . . . . . . . . . . . . A . 2 ASN O . . . . . . . . . c25522_2n0e 1 . 9 . 1223 . 1 1 2 ASN OD1 O -4.189 7.246 4.878 . . . 1.0 . . . . . . . . . . . . A . 2 ASN OD1 . . . . . . . . . c25522_2n0e 1 . 9 . 1224 . 1 1 3 HIS C C 0.857 3.630 1.709 . . . 1.0 . . . . . . . . . . . . A . 3 HIS C . . . . . . . . . c25522_2n0e 1 . 9 . 1225 . 1 1 3 HIS CA C 1.409 4.331 2.946 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CA . . . . . . . . . c25522_2n0e 1 . 9 . 1226 . 1 1 3 HIS CB C 1.883 3.293 3.965 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CB . . . . . . . . . c25522_2n0e 1 . 9 . 1227 . 1 1 3 HIS CD2 C 4.242 2.309 3.511 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CD2 . . . . . . . . . c25522_2n0e 1 . 9 . 1228 . 1 1 3 HIS CE1 C 5.396 3.727 4.716 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CE1 . . . . . . . . . c25522_2n0e 1 . 9 . 1229 . 1 1 3 HIS CG C 3.379 3.200 4.076 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CG . . . . . . . . . c25522_2n0e 1 . 9 . 1230 . 1 1 3 HIS H H -0.137 4.871 4.314 . . . 1.0 . . . . . . . . . . . . A . 3 HIS H . . . . . . . . . c25522_2n0e 1 . 9 . 1231 . 1 1 3 HIS HA H 2.183 4.898 2.662 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HA . . . . . . . . . c25522_2n0e 1 . 9 . 1232 . 1 1 3 HIS HB2 H 1.515 3.537 4.862 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HB2 . . . . . . . . . c25522_2n0e 1 . 9 . 1233 . 1 1 3 HIS HB3 H 1.531 2.397 3.693 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HB3 . . . . . . . . . c25522_2n0e 1 . 9 . 1234 . 1 1 3 HIS HD2 H 4.001 1.547 2.910 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HD2 . . . . . . . . . c25522_2n0e 1 . 9 . 1235 . 1 1 3 HIS HE1 H 6.163 4.192 5.158 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HE1 . . . . . . . . . c25522_2n0e 1 . 9 . 1236 . 1 1 3 HIS HE2 H 6.378 2.209 3.693 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HE2 . . . . . . . . . c25522_2n0e 1 . 9 . 1237 . 1 1 3 HIS N N 0.402 5.204 3.540 . . . 1.0 . . . . . . . . . . . . A . 3 HIS N . . . . . . . . . c25522_2n0e 1 . 9 . 1238 . 1 1 3 HIS ND1 N 4.126 4.087 4.833 . . . 1.0 . . . . . . . . . . . . A . 3 HIS ND1 . . . . . . . . . c25522_2n0e 1 . 9 . 1239 . 1 1 3 HIS NE2 N 5.515 2.657 3.926 . . . 1.0 . . . . . . . . . . . . A . 3 HIS NE2 . . . . . . . . . c25522_2n0e 1 . 9 . 1240 . 1 1 3 HIS O O -0.225 3.961 1.227 . . . 1.0 . . . . . . . . . . . . A . 3 HIS O . . . . . . . . . c25522_2n0e 1 . 9 . 1241 . 1 1 4 TRP C C 0.844 0.473 0.381 . . . 1.0 . . . . . . . . . . . . A . 4 TRP C . . . . . . . . . c25522_2n0e 1 . 9 . 1242 . 1 1 4 TRP CA C 1.195 1.911 0.019 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CA . . . . . . . . . c25522_2n0e 1 . 9 . 1243 . 1 1 4 TRP CB C 2.304 1.929 -1.034 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CB . . . . . . . . . c25522_2n0e 1 . 9 . 1244 . 1 1 4 TRP CD1 C 4.560 2.273 0.129 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CD1 . . . . . . . . . c25522_2n0e 1 . 9 . 1245 . 1 1 4 TRP CD2 C 4.191 0.175 -0.562 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CD2 . . . . . . . . . c25522_2n0e 1 . 9 . 1246 . 1 1 4 TRP CE2 C 5.456 0.229 0.056 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CE2 . . . . . . . . . c25522_2n0e 1 . 9 . 1247 . 1 1 4 TRP CE3 C 3.744 -1.045 -1.075 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CE3 . . . . . . . . . c25522_2n0e 1 . 9 . 1248 . 1 1 4 TRP CG C 3.635 1.493 -0.505 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CG . . . . . . . . . c25522_2n0e 1 . 9 . 1249 . 1 1 4 TRP CH2 C 5.811 -2.073 -0.339 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CH2 . . . . . . . . . c25522_2n0e 1 . 9 . 1250 . 1 1 4 TRP CZ2 C 6.275 -0.892 0.172 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CZ2 . . . . . . . . . c25522_2n0e 1 . 9 . 1251 . 1 1 4 TRP CZ3 C 4.557 -2.155 -0.959 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CZ3 . . . . . . . . . c25522_2n0e 1 . 9 . 1252 . 1 1 4 TRP H H 2.480 2.438 1.639 . . . 1.0 . . . . . . . . . . . . A . 4 TRP H . . . . . . . . . c25522_2n0e 1 . 9 . 1253 . 1 1 4 TRP HA H 0.363 2.342 -0.331 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HA . . . . . . . . . c25522_2n0e 1 . 9 . 1254 . 1 1 4 TRP HB2 H 2.045 1.315 -1.780 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HB2 . . . . . . . . . c25522_2n0e 1 . 9 . 1255 . 1 1 4 TRP HB3 H 2.395 2.861 -1.385 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HB3 . . . . . . . . . c25522_2n0e 1 . 9 . 1256 . 1 1 4 TRP HD1 H 4.455 3.249 0.318 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HD1 . . . . . . . . . c25522_2n0e 1 . 9 . 1257 . 1 1 4 TRP HE1 H 6.473 1.855 0.941 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HE1 . . . . . . . . . c25522_2n0e 1 . 9 . 1258 . 1 1 4 TRP HE3 H 2.851 -1.115 -1.519 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HE3 . . . . . . . . . c25522_2n0e 1 . 9 . 1259 . 1 1 4 TRP HH2 H 6.376 -2.896 -0.270 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HH2 . . . . . . . . . c25522_2n0e 1 . 9 . 1260 . 1 1 4 TRP HZ2 H 7.170 -0.831 0.614 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HZ2 . . . . . . . . . c25522_2n0e 1 . 9 . 1261 . 1 1 4 TRP HZ3 H 4.245 -3.032 -1.324 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HZ3 . . . . . . . . . c25522_2n0e 1 . 9 . 1262 . 1 1 4 TRP N N 1.609 2.660 1.201 . . . 1.0 . . . . . . . . . . . . A . 4 TRP N . . . . . . . . . c25522_2n0e 1 . 9 . 1263 . 1 1 4 TRP NE1 N 5.658 1.519 0.469 . . . 1.0 . . . . . . . . . . . . A . 4 TRP NE1 . . . . . . . . . c25522_2n0e 1 . 9 . 1264 . 1 1 4 TRP O O -0.181 -0.053 -0.052 . . . 1.0 . . . . . . . . . . . . A . 4 TRP O . . . . . . . . . c25522_2n0e 1 . 9 . 1265 . 1 1 5 ALA C C 0.093 -1.706 2.212 . . . 1.0 . . . . . . . . . . . . A . 5 ALA C . . . . . . . . . c25522_2n0e 1 . 9 . 1266 . 1 1 5 ALA CA C 1.479 -1.536 1.599 . . . 1.0 . . . . . . . . . . . . A . 5 ALA CA . . . . . . . . . c25522_2n0e 1 . 9 . 1267 . 1 1 5 ALA CB C 2.552 -1.965 2.589 . . . 1.0 . . . . . . . . . . . . A . 5 ALA CB . . . . . . . . . c25522_2n0e 1 . 9 . 1268 . 1 1 5 ALA H H 2.518 0.322 1.494 . . . 1.0 . . . . . . . . . . . . A . 5 ALA H . . . . . . . . . c25522_2n0e 1 . 9 . 1269 . 1 1 5 ALA HA H 1.542 -2.126 0.794 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HA . . . . . . . . . c25522_2n0e 1 . 9 . 1270 . 1 1 5 ALA HB1 H 2.521 -1.367 3.390 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB1 . . . . . . . . . c25522_2n0e 1 . 9 . 1271 . 1 1 5 ALA HB2 H 2.392 -2.910 2.873 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB2 . . . . . . . . . c25522_2n0e 1 . 9 . 1272 . 1 1 5 ALA HB3 H 3.450 -1.895 2.155 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB3 . . . . . . . . . c25522_2n0e 1 . 9 . 1273 . 1 1 5 ALA N N 1.701 -0.159 1.177 . . . 1.0 . . . . . . . . . . . . A . 5 ALA N . . . . . . . . . c25522_2n0e 1 . 9 . 1274 . 1 1 5 ALA O O -0.494 -2.787 2.154 . . . 1.0 . . . . . . . . . . . . A . 5 ALA O . . . . . . . . . c25522_2n0e 1 . 9 . 1275 . 1 1 6 VAL C C -2.790 -1.217 2.468 . . . 1.0 . . . . . . . . . . . . A . 6 VAL C . . . . . . . . . c25522_2n0e 1 . 9 . 1276 . 1 1 6 VAL CA C -1.743 -0.662 3.425 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CA . . . . . . . . . c25522_2n0e 1 . 9 . 1277 . 1 1 6 VAL CB C -2.175 0.739 3.889 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CB . . . . . . . . . c25522_2n0e 1 . 9 . 1278 . 1 1 6 VAL CG1 C -1.223 1.271 4.949 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CG1 . . . . . . . . . c25522_2n0e 1 . 9 . 1279 . 1 1 6 VAL CG2 C -2.253 1.692 2.704 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CG2 . . . . . . . . . c25522_2n0e 1 . 9 . 1280 . 1 1 6 VAL H H 0.104 0.217 2.817 . . . 1.0 . . . . . . . . . . . . A . 6 VAL H . . . . . . . . . c25522_2n0e 1 . 9 . 1281 . 1 1 6 VAL HA H -1.694 -1.277 4.212 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HA . . . . . . . . . c25522_2n0e 1 . 9 . 1282 . 1 1 6 VAL HB H -3.078 0.654 4.310 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HB . . . . . . . . . c25522_2n0e 1 . 9 . 1283 . 1 1 6 VAL HG11 H -0.298 1.332 4.574 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG11 . . . . . . . . . c25522_2n0e 1 . 9 . 1284 . 1 1 6 VAL HG12 H -1.530 2.181 5.229 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG12 . . . . . . . . . c25522_2n0e 1 . 9 . 1285 . 1 1 6 VAL HG13 H -1.222 0.661 5.741 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG13 . . . . . . . . . c25522_2n0e 1 . 9 . 1286 . 1 1 6 VAL HG21 H -2.921 1.352 2.042 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG21 . . . . . . . . . c25522_2n0e 1 . 9 . 1287 . 1 1 6 VAL HG22 H -2.535 2.595 3.029 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG22 . . . . . . . . . c25522_2n0e 1 . 9 . 1288 . 1 1 6 VAL HG23 H -1.356 1.760 2.267 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG23 . . . . . . . . . c25522_2n0e 1 . 9 . 1289 . 1 1 6 VAL N N -0.424 -0.632 2.801 . . . 1.0 . . . . . . . . . . . . A . 6 VAL N . . . . . . . . . c25522_2n0e 1 . 9 . 1290 . 1 1 6 VAL O O -3.773 -1.826 2.891 . . . 1.0 . . . . . . . . . . . . A . 6 VAL O . . . . . . . . . c25522_2n0e 1 . 9 . 1291 . 1 1 7 GLY C C -2.861 -2.431 -0.818 . . . 1.0 . . . . . . . . . . . . A . 7 GLY C . . . . . . . . . c25522_2n0e 1 . 9 . 1292 . 1 1 7 GLY CA C -3.510 -1.488 0.175 . . . 1.0 . . . . . . . . . . . . A . 7 GLY CA . . . . . . . . . c25522_2n0e 1 . 9 . 1293 . 1 1 7 GLY H H -1.759 -0.502 0.884 . . . 1.0 . . . . . . . . . . . . A . 7 GLY H . . . . . . . . . c25522_2n0e 1 . 9 . 1294 . 1 1 7 GLY HA2 H -4.252 -1.972 0.639 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA2 . . . . . . . . . c25522_2n0e 1 . 9 . 1295 . 1 1 7 GLY HA3 H -3.883 -0.705 -0.323 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA3 . . . . . . . . . c25522_2n0e 1 . 9 . 1296 . 1 1 7 GLY N N -2.575 -1.003 1.173 . . . 1.0 . . . . . . . . . . . . A . 7 GLY N . . . . . . . . . c25522_2n0e 1 . 9 . 1297 . 1 1 7 GLY O O -3.510 -3.337 -1.340 . . . 1.0 . . . . . . . . . . . . A . 7 GLY O . . . . . . . . . c25522_2n0e 1 . 9 . 1298 . 1 1 8 HIS C C -0.462 -4.387 -1.380 . . . 1.0 . . . . . . . . . . . . A . 8 HIS C . . . . . . . . . c25522_2n0e 1 . 9 . 1299 . 1 1 8 HIS CA C -0.838 -3.055 -2.021 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CA . . . . . . . . . c25522_2n0e 1 . 9 . 1300 . 1 1 8 HIS CB C 0.419 -2.332 -2.500 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CB . . . . . . . . . c25522_2n0e 1 . 9 . 1301 . 1 1 8 HIS CD2 C -0.569 -1.557 -4.774 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CD2 . . . . . . . . . c25522_2n0e 1 . 9 . 1302 . 1 1 8 HIS CE1 C 1.215 -1.883 -6.002 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CE1 . . . . . . . . . c25522_2n0e 1 . 9 . 1303 . 1 1 8 HIS CG C 0.426 -2.037 -3.976 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CG . . . . . . . . . c25522_2n0e 1 . 9 . 1304 . 1 1 8 HIS H H -1.103 -1.463 -0.626 . . . 1.0 . . . . . . . . . . . . A . 8 HIS H . . . . . . . . . c25522_2n0e 1 . 9 . 1305 . 1 1 8 HIS HA H -1.433 -3.244 -2.802 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HA . . . . . . . . . c25522_2n0e 1 . 9 . 1306 . 1 1 8 HIS HB2 H 0.493 -1.465 -2.007 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HB2 . . . . . . . . . c25522_2n0e 1 . 9 . 1307 . 1 1 8 HIS HB3 H 1.212 -2.904 -2.291 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HB3 . . . . . . . . . c25522_2n0e 1 . 9 . 1308 . 1 1 8 HIS HD2 H -1.497 -1.317 -4.489 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HD2 . . . . . . . . . c25522_2n0e 1 . 9 . 1309 . 1 1 8 HIS HE1 H 1.831 -1.922 -6.789 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HE1 . . . . . . . . . c25522_2n0e 1 . 9 . 1310 . 1 1 8 HIS HE2 H -0.519 -1.149 -6.880 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HE2 . . . . . . . . . c25522_2n0e 1 . 9 . 1311 . 1 1 8 HIS N N -1.576 -2.217 -1.082 . . . 1.0 . . . . . . . . . . . . A . 8 HIS N . . . . . . . . . c25522_2n0e 1 . 9 . 1312 . 1 1 8 HIS ND1 N 1.544 -2.237 -4.769 . . . 1.0 . . . . . . . . . . . . A . 8 HIS ND1 . . . . . . . . . c25522_2n0e 1 . 9 . 1313 . 1 1 8 HIS NE2 N -0.053 -1.465 -6.054 . . . 1.0 . . . . . . . . . . . . A . 8 HIS NE2 . . . . . . . . . c25522_2n0e 1 . 9 . 1314 . 1 1 8 HIS O O -0.164 -5.360 -2.074 . . . 1.0 . . . . . . . . . . . . A . 8 HIS O . . . . . . . . . c25522_2n0e 1 . 9 . 1315 . 1 1 9 LEU C C -1.285 -6.064 1.592 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . c25522_2n0e 1 . 9 . 1316 . 1 1 9 LEU CA C -0.136 -5.638 0.683 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . c25522_2n0e 1 . 9 . 1317 . 1 1 9 LEU CB C 1.130 -5.417 1.512 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . c25522_2n0e 1 . 9 . 1318 . 1 1 9 LEU CD1 C 3.628 -5.335 1.704 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . c25522_2n0e 1 . 9 . 1319 . 1 1 9 LEU CD2 C 2.544 -7.062 0.257 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . c25522_2n0e 1 . 9 . 1320 . 1 1 9 LEU CG C 2.457 -5.638 0.783 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . c25522_2n0e 1 . 9 . 1321 . 1 1 9 LEU H H -0.726 -3.601 0.456 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . c25522_2n0e 1 . 9 . 1322 . 1 1 9 LEU HA H 0.026 -6.370 0.021 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . c25522_2n0e 1 . 9 . 1323 . 1 1 9 LEU HB2 H 1.118 -4.474 1.845 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . c25522_2n0e 1 . 9 . 1324 . 1 1 9 LEU HB3 H 1.101 -6.045 2.290 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . c25522_2n0e 1 . 9 . 1325 . 1 1 9 LEU HD11 H 3.579 -4.383 2.005 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . c25522_2n0e 1 . 9 . 1326 . 1 1 9 LEU HD12 H 3.592 -5.939 2.500 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . c25522_2n0e 1 . 9 . 1327 . 1 1 9 LEU HD13 H 4.485 -5.485 1.211 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . c25522_2n0e 1 . 9 . 1328 . 1 1 9 LEU HD21 H 1.786 -7.223 -0.376 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . c25522_2n0e 1 . 9 . 1329 . 1 1 9 LEU HD22 H 3.412 -7.205 -0.219 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . c25522_2n0e 1 . 9 . 1330 . 1 1 9 LEU HD23 H 2.477 -7.698 1.026 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . c25522_2n0e 1 . 9 . 1331 . 1 1 9 LEU HG H 2.499 -5.033 -0.012 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . c25522_2n0e 1 . 9 . 1332 . 1 1 9 LEU N N -0.476 -4.425 -0.052 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . c25522_2n0e 1 . 9 . 1333 . 1 1 9 LEU O O -1.975 -7.045 1.316 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . c25522_2n0e 1 . 9 . 1334 . 1 1 10 MET C C -3.807 -4.815 3.298 . . . 1.0 . . . . . . . . . . . . A . 10 MET C . . . . . . . . . c25522_2n0e 1 . 9 . 1335 . 1 1 10 MET CA C -2.552 -5.619 3.622 . . . 1.0 . . . . . . . . . . . . A . 10 MET CA . . . . . . . . . c25522_2n0e 1 . 9 . 1336 . 1 1 10 MET CB C -2.093 -5.318 5.051 . . . 1.0 . . . . . . . . . . . . A . 10 MET CB . . . . . . . . . c25522_2n0e 1 . 9 . 1337 . 1 1 10 MET CE C 0.730 -3.571 5.632 . . . 1.0 . . . . . . . . . . . . A . 10 MET CE . . . . . . . . . c25522_2n0e 1 . 9 . 1338 . 1 1 10 MET CG C -2.016 -3.833 5.364 . . . 1.0 . . . . . . . . . . . . A . 10 MET CG . . . . . . . . . c25522_2n0e 1 . 9 . 1339 . 1 1 10 MET H H -0.886 -4.535 2.843 . . . 1.0 . . . . . . . . . . . . A . 10 MET H . . . . . . . . . c25522_2n0e 1 . 9 . 1340 . 1 1 10 MET HA H -2.778 -6.589 3.531 . . . 1.0 . . . . . . . . . . . . A . 10 MET HA . . . . . . . . . c25522_2n0e 1 . 9 . 1341 . 1 1 10 MET HB2 H -2.738 -5.742 5.687 . . . 1.0 . . . . . . . . . . . . A . 10 MET HB2 . . . . . . . . . c25522_2n0e 1 . 9 . 1342 . 1 1 10 MET HB3 H -1.185 -5.716 5.183 . . . 1.0 . . . . . . . . . . . . A . 10 MET HB3 . . . . . . . . . c25522_2n0e 1 . 9 . 1343 . 1 1 10 MET HE1 H 0.803 -4.495 5.257 . . . 1.0 . . . . . . . . . . . . A . 10 MET HE1 . . . . . . . . . c25522_2n0e 1 . 9 . 1344 . 1 1 10 MET HE2 H 0.688 -2.909 4.883 . . . 1.0 . . . . . . . . . . . . A . 10 MET HE2 . . . . . . . . . c25522_2n0e 1 . 9 . 1345 . 1 1 10 MET HE3 H 1.528 -3.379 6.203 . . . 1.0 . . . . . . . . . . . . A . 10 MET HE3 . . . . . . . . . c25522_2n0e 1 . 9 . 1346 . 1 1 10 MET HG2 H -1.796 -3.344 4.520 . . . 1.0 . . . . . . . . . . . . A . 10 MET HG2 . . . . . . . . . c25522_2n0e 1 . 9 . 1347 . 1 1 10 MET HG3 H -2.910 -3.535 5.698 . . . 1.0 . . . . . . . . . . . . A . 10 MET HG3 . . . . . . . . . c25522_2n0e 1 . 9 . 1348 . 1 1 10 MET N N -1.483 -5.319 2.674 . . . 1.0 . . . . . . . . . . . . A . 10 MET N . . . . . . . . . c25522_2n0e 1 . 9 . 1349 . 1 1 10 MET O O -4.876 -5.381 3.070 . . . 1.0 . . . . . . . . . . . . A . 10 MET O . . . . . . . . . c25522_2n0e 1 . 9 . 1350 . 1 1 10 MET SD S -0.768 -3.450 6.607 . . . 1.0 . . . . . . . . . . . . A . 10 MET SD . . . . . . . . . c25522_2n0e 1 . 10 . 1351 . 1 1 1 GLY C C -0.786 9.663 3.897 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c25522_2n0e 1 . 10 . 1352 . 1 1 1 GLY CA C -0.967 10.977 3.166 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c25522_2n0e 1 . 10 . 1353 . 1 1 1 GLY H1 H -0.765 10.251 1.294 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c25522_2n0e 1 . 10 . 1354 . 1 1 1 GLY H2 H -0.500 11.858 1.411 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H2 . . . . . . . . . c25522_2n0e 1 . 10 . 1355 . 1 1 1 GLY H3 H 0.628 10.804 1.942 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H3 . . . . . . . . . c25522_2n0e 1 . 10 . 1356 . 1 1 1 GLY HA2 H -0.553 11.706 3.710 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c25522_2n0e 1 . 10 . 1357 . 1 1 1 GLY HA3 H -1.946 11.154 3.062 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c25522_2n0e 1 . 10 . 1358 . 1 1 1 GLY N N -0.353 10.972 1.851 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c25522_2n0e 1 . 10 . 1359 . 1 1 1 GLY O O -0.422 9.642 5.072 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c25522_2n0e 1 . 10 . 1360 . 1 1 2 ASN C C 0.181 6.430 3.081 . . . 1.0 . . . . . . . . . . . . A . 2 ASN C . . . . . . . . . c25522_2n0e 1 . 10 . 1361 . 1 1 2 ASN CA C -0.905 7.233 3.790 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CA . . . . . . . . . c25522_2n0e 1 . 10 . 1362 . 1 1 2 ASN CB C -2.238 6.483 3.720 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CB . . . . . . . . . c25522_2n0e 1 . 10 . 1363 . 1 1 2 ASN CG C -3.094 6.712 4.951 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CG . . . . . . . . . c25522_2n0e 1 . 10 . 1364 . 1 1 2 ASN H H -1.333 8.642 2.246 . . . 1.0 . . . . . . . . . . . . A . 2 ASN H . . . . . . . . . c25522_2n0e 1 . 10 . 1365 . 1 1 2 ASN HA H -0.598 7.366 4.732 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HA . . . . . . . . . c25522_2n0e 1 . 10 . 1366 . 1 1 2 ASN HB2 H -2.741 6.797 2.915 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HB2 . . . . . . . . . c25522_2n0e 1 . 10 . 1367 . 1 1 2 ASN HB3 H -2.051 5.504 3.635 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HB3 . . . . . . . . . c25522_2n0e 1 . 10 . 1368 . 1 1 2 ASN HD21 H -3.073 8.712 4.641 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HD21 . . . . . . . . . c25522_2n0e 1 . 10 . 1369 . 1 1 2 ASN HD22 H -3.966 8.186 6.029 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HD22 . . . . . . . . . c25522_2n0e 1 . 10 . 1370 . 1 1 2 ASN N N -1.041 8.560 3.199 . . . 1.0 . . . . . . . . . . . . A . 2 ASN N . . . . . . . . . c25522_2n0e 1 . 10 . 1371 . 1 1 2 ASN ND2 N -3.403 7.974 5.230 . . . 1.0 . . . . . . . . . . . . A . 2 ASN ND2 . . . . . . . . . c25522_2n0e 1 . 10 . 1372 . 1 1 2 ASN O O 0.810 6.913 2.139 . . . 1.0 . . . . . . . . . . . . A . 2 ASN O . . . . . . . . . c25522_2n0e 1 . 10 . 1373 . 1 1 2 ASN OD1 O -3.474 5.766 5.642 . . . 1.0 . . . . . . . . . . . . A . 2 ASN OD1 . . . . . . . . . c25522_2n0e 1 . 10 . 1374 . 1 1 3 HIS C C 0.856 3.625 1.709 . . . 1.0 . . . . . . . . . . . . A . 3 HIS C . . . . . . . . . c25522_2n0e 1 . 10 . 1375 . 1 1 3 HIS CA C 1.403 4.329 2.947 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CA . . . . . . . . . c25522_2n0e 1 . 10 . 1376 . 1 1 3 HIS CB C 1.876 3.292 3.968 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CB . . . . . . . . . c25522_2n0e 1 . 10 . 1377 . 1 1 3 HIS CD2 C 4.230 2.290 3.522 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CD2 . . . . . . . . . c25522_2n0e 1 . 10 . 1378 . 1 1 3 HIS CE1 C 5.393 3.725 4.699 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CE1 . . . . . . . . . c25522_2n0e 1 . 10 . 1379 . 1 1 3 HIS CG C 3.373 3.194 4.075 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CG . . . . . . . . . c25522_2n0e 1 . 10 . 1380 . 1 1 3 HIS H H -0.151 4.864 4.306 . . . 1.0 . . . . . . . . . . . . A . 3 HIS H . . . . . . . . . c25522_2n0e 1 . 10 . 1381 . 1 1 3 HIS HA H 2.176 4.897 2.664 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HA . . . . . . . . . c25522_2n0e 1 . 10 . 1382 . 1 1 3 HIS HB2 H 1.512 3.540 4.865 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HB2 . . . . . . . . . c25522_2n0e 1 . 10 . 1383 . 1 1 3 HIS HB3 H 1.520 2.397 3.700 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HB3 . . . . . . . . . c25522_2n0e 1 . 10 . 1384 . 1 1 3 HIS HD2 H 3.984 1.519 2.934 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HD2 . . . . . . . . . c25522_2n0e 1 . 10 . 1385 . 1 1 3 HIS HE1 H 6.163 4.195 5.131 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HE1 . . . . . . . . . c25522_2n0e 1 . 10 . 1386 . 1 1 3 HIS HE2 H 6.369 2.187 3.702 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HE2 . . . . . . . . . c25522_2n0e 1 . 10 . 1387 . 1 1 3 HIS N N 0.394 5.200 3.538 . . . 1.0 . . . . . . . . . . . . A . 3 HIS N . . . . . . . . . c25522_2n0e 1 . 10 . 1388 . 1 1 3 HIS ND1 N 4.125 4.092 4.814 . . . 1.0 . . . . . . . . . . . . A . 3 HIS ND1 . . . . . . . . . c25522_2n0e 1 . 10 . 1389 . 1 1 3 HIS NE2 N 5.507 2.641 3.928 . . . 1.0 . . . . . . . . . . . . A . 3 HIS NE2 . . . . . . . . . c25522_2n0e 1 . 10 . 1390 . 1 1 3 HIS O O -0.228 3.954 1.225 . . . 1.0 . . . . . . . . . . . . A . 3 HIS O . . . . . . . . . c25522_2n0e 1 . 10 . 1391 . 1 1 4 TRP C C 0.849 0.472 0.380 . . . 1.0 . . . . . . . . . . . . A . 4 TRP C . . . . . . . . . c25522_2n0e 1 . 10 . 1392 . 1 1 4 TRP CA C 1.201 1.910 0.018 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CA . . . . . . . . . c25522_2n0e 1 . 10 . 1393 . 1 1 4 TRP CB C 2.313 1.928 -1.032 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CB . . . . . . . . . c25522_2n0e 1 . 10 . 1394 . 1 1 4 TRP CD1 C 4.568 2.276 0.135 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CD1 . . . . . . . . . c25522_2n0e 1 . 10 . 1395 . 1 1 4 TRP CD2 C 4.199 0.174 -0.547 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CD2 . . . . . . . . . c25522_2n0e 1 . 10 . 1396 . 1 1 4 TRP CE2 C 5.462 0.231 0.074 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CE2 . . . . . . . . . c25522_2n0e 1 . 10 . 1397 . 1 1 4 TRP CE3 C 3.751 -1.048 -1.055 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CE3 . . . . . . . . . c25522_2n0e 1 . 10 . 1398 . 1 1 4 TRP CG C 3.644 1.493 -0.497 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CG . . . . . . . . . c25522_2n0e 1 . 10 . 1399 . 1 1 4 TRP CH2 C 5.817 -2.073 -0.308 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CH2 . . . . . . . . . c25522_2n0e 1 . 10 . 1400 . 1 1 4 TRP CZ2 C 6.280 -0.890 0.198 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CZ2 . . . . . . . . . c25522_2n0e 1 . 10 . 1401 . 1 1 4 TRP CZ3 C 4.564 -2.158 -0.930 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CZ3 . . . . . . . . . c25522_2n0e 1 . 10 . 1402 . 1 1 4 TRP H H 2.482 2.439 1.640 . . . 1.0 . . . . . . . . . . . . A . 4 TRP H . . . . . . . . . c25522_2n0e 1 . 10 . 1403 . 1 1 4 TRP HA H 0.370 2.341 -0.335 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HA . . . . . . . . . c25522_2n0e 1 . 10 . 1404 . 1 1 4 TRP HB2 H 2.057 1.313 -1.778 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HB2 . . . . . . . . . c25522_2n0e 1 . 10 . 1405 . 1 1 4 TRP HB3 H 2.404 2.859 -1.384 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HB3 . . . . . . . . . c25522_2n0e 1 . 10 . 1406 . 1 1 4 TRP HD1 H 4.463 3.253 0.319 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HD1 . . . . . . . . . c25522_2n0e 1 . 10 . 1407 . 1 1 4 TRP HE1 H 6.478 1.861 0.953 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HE1 . . . . . . . . . c25522_2n0e 1 . 10 . 1408 . 1 1 4 TRP HE3 H 2.859 -1.119 -1.501 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HE3 . . . . . . . . . c25522_2n0e 1 . 10 . 1409 . 1 1 4 TRP HH2 H 6.381 -2.895 -0.234 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HH2 . . . . . . . . . c25522_2n0e 1 . 10 . 1410 . 1 1 4 TRP HZ2 H 7.174 -0.827 0.642 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HZ2 . . . . . . . . . c25522_2n0e 1 . 10 . 1411 . 1 1 4 TRP HZ3 H 4.252 -3.037 -1.290 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HZ3 . . . . . . . . . c25522_2n0e 1 . 10 . 1412 . 1 1 4 TRP N N 1.611 2.659 1.201 . . . 1.0 . . . . . . . . . . . . A . 4 TRP N . . . . . . . . . c25522_2n0e 1 . 10 . 1413 . 1 1 4 TRP NE1 N 5.664 1.523 0.481 . . . 1.0 . . . . . . . . . . . . A . 4 TRP NE1 . . . . . . . . . c25522_2n0e 1 . 10 . 1414 . 1 1 4 TRP O O -0.176 -0.054 -0.055 . . . 1.0 . . . . . . . . . . . . A . 4 TRP O . . . . . . . . . c25522_2n0e 1 . 10 . 1415 . 1 1 5 ALA C C 0.095 -1.705 2.213 . . . 1.0 . . . . . . . . . . . . A . 5 ALA C . . . . . . . . . c25522_2n0e 1 . 10 . 1416 . 1 1 5 ALA CA C 1.480 -1.537 1.600 . . . 1.0 . . . . . . . . . . . . A . 5 ALA CA . . . . . . . . . c25522_2n0e 1 . 10 . 1417 . 1 1 5 ALA CB C 2.553 -1.967 2.589 . . . 1.0 . . . . . . . . . . . . A . 5 ALA CB . . . . . . . . . c25522_2n0e 1 . 10 . 1418 . 1 1 5 ALA H H 2.520 0.322 1.497 . . . 1.0 . . . . . . . . . . . . A . 5 ALA H . . . . . . . . . c25522_2n0e 1 . 10 . 1419 . 1 1 5 ALA HA H 1.542 -2.127 0.795 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HA . . . . . . . . . c25522_2n0e 1 . 10 . 1420 . 1 1 5 ALA HB1 H 2.524 -1.369 3.390 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB1 . . . . . . . . . c25522_2n0e 1 . 10 . 1421 . 1 1 5 ALA HB2 H 2.392 -2.912 2.873 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB2 . . . . . . . . . c25522_2n0e 1 . 10 . 1422 . 1 1 5 ALA HB3 H 3.451 -1.898 2.154 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB3 . . . . . . . . . c25522_2n0e 1 . 10 . 1423 . 1 1 5 ALA N N 1.704 -0.159 1.178 . . . 1.0 . . . . . . . . . . . . A . 5 ALA N . . . . . . . . . c25522_2n0e 1 . 10 . 1424 . 1 1 5 ALA O O -0.494 -2.786 2.156 . . . 1.0 . . . . . . . . . . . . A . 5 ALA O . . . . . . . . . c25522_2n0e 1 . 10 . 1425 . 1 1 6 VAL C C -2.789 -1.215 2.468 . . . 1.0 . . . . . . . . . . . . A . 6 VAL C . . . . . . . . . c25522_2n0e 1 . 10 . 1426 . 1 1 6 VAL CA C -1.741 -0.659 3.425 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CA . . . . . . . . . c25522_2n0e 1 . 10 . 1427 . 1 1 6 VAL CB C -2.173 0.744 3.887 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CB . . . . . . . . . c25522_2n0e 1 . 10 . 1428 . 1 1 6 VAL CG1 C -1.220 1.276 4.947 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CG1 . . . . . . . . . c25522_2n0e 1 . 10 . 1429 . 1 1 6 VAL CG2 C -2.249 1.694 2.701 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CG2 . . . . . . . . . c25522_2n0e 1 . 10 . 1430 . 1 1 6 VAL H H 0.106 0.219 2.816 . . . 1.0 . . . . . . . . . . . . A . 6 VAL H . . . . . . . . . c25522_2n0e 1 . 10 . 1431 . 1 1 6 VAL HA H -1.692 -1.273 4.212 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HA . . . . . . . . . c25522_2n0e 1 . 10 . 1432 . 1 1 6 VAL HB H -3.076 0.660 4.308 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HB . . . . . . . . . c25522_2n0e 1 . 10 . 1433 . 1 1 6 VAL HG11 H -0.295 1.336 4.573 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG11 . . . . . . . . . c25522_2n0e 1 . 10 . 1434 . 1 1 6 VAL HG12 H -1.527 2.186 5.226 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG12 . . . . . . . . . c25522_2n0e 1 . 10 . 1435 . 1 1 6 VAL HG13 H -1.220 0.667 5.740 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG13 . . . . . . . . . c25522_2n0e 1 . 10 . 1436 . 1 1 6 VAL HG21 H -2.917 1.353 2.039 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG21 . . . . . . . . . c25522_2n0e 1 . 10 . 1437 . 1 1 6 VAL HG22 H -2.531 2.597 3.024 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG22 . . . . . . . . . c25522_2n0e 1 . 10 . 1438 . 1 1 6 VAL HG23 H -1.352 1.761 2.265 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG23 . . . . . . . . . c25522_2n0e 1 . 10 . 1439 . 1 1 6 VAL N N -0.422 -0.630 2.801 . . . 1.0 . . . . . . . . . . . . A . 6 VAL N . . . . . . . . . c25522_2n0e 1 . 10 . 1440 . 1 1 6 VAL O O -3.771 -1.823 2.892 . . . 1.0 . . . . . . . . . . . . A . 6 VAL O . . . . . . . . . c25522_2n0e 1 . 10 . 1441 . 1 1 7 GLY C C -2.861 -2.431 -0.816 . . . 1.0 . . . . . . . . . . . . A . 7 GLY C . . . . . . . . . c25522_2n0e 1 . 10 . 1442 . 1 1 7 GLY CA C -3.510 -1.487 0.176 . . . 1.0 . . . . . . . . . . . . A . 7 GLY CA . . . . . . . . . c25522_2n0e 1 . 10 . 1443 . 1 1 7 GLY H H -1.760 -0.499 0.884 . . . 1.0 . . . . . . . . . . . . A . 7 GLY H . . . . . . . . . c25522_2n0e 1 . 10 . 1444 . 1 1 7 GLY HA2 H -4.252 -1.970 0.640 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA2 . . . . . . . . . c25522_2n0e 1 . 10 . 1445 . 1 1 7 GLY HA3 H -3.883 -0.704 -0.322 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA3 . . . . . . . . . c25522_2n0e 1 . 10 . 1446 . 1 1 7 GLY N N -2.575 -1.001 1.174 . . . 1.0 . . . . . . . . . . . . A . 7 GLY N . . . . . . . . . c25522_2n0e 1 . 10 . 1447 . 1 1 7 GLY O O -3.510 -3.342 -1.332 . . . 1.0 . . . . . . . . . . . . A . 7 GLY O . . . . . . . . . c25522_2n0e 1 . 10 . 1448 . 1 1 8 HIS C C -0.466 -4.387 -1.380 . . . 1.0 . . . . . . . . . . . . A . 8 HIS C . . . . . . . . . c25522_2n0e 1 . 10 . 1449 . 1 1 8 HIS CA C -0.841 -3.054 -2.022 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CA . . . . . . . . . c25522_2n0e 1 . 10 . 1450 . 1 1 8 HIS CB C 0.417 -2.333 -2.504 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CB . . . . . . . . . c25522_2n0e 1 . 10 . 1451 . 1 1 8 HIS CD2 C -0.592 -1.595 -4.780 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CD2 . . . . . . . . . c25522_2n0e 1 . 10 . 1452 . 1 1 8 HIS CE1 C 1.213 -1.828 -5.997 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CE1 . . . . . . . . . c25522_2n0e 1 . 10 . 1453 . 1 1 8 HIS CG C 0.419 -2.031 -3.977 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CG . . . . . . . . . c25522_2n0e 1 . 10 . 1454 . 1 1 8 HIS H H -1.105 -1.458 -0.633 . . . 1.0 . . . . . . . . . . . . A . 8 HIS H . . . . . . . . . c25522_2n0e 1 . 10 . 1455 . 1 1 8 HIS HA H -1.436 -3.243 -2.803 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HA . . . . . . . . . c25522_2n0e 1 . 10 . 1456 . 1 1 8 HIS HB2 H 0.497 -1.469 -2.007 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HB2 . . . . . . . . . c25522_2n0e 1 . 10 . 1457 . 1 1 8 HIS HB3 H 1.209 -2.909 -2.301 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HB3 . . . . . . . . . c25522_2n0e 1 . 10 . 1458 . 1 1 8 HIS HD2 H -1.532 -1.401 -4.500 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HD2 . . . . . . . . . c25522_2n0e 1 . 10 . 1459 . 1 1 8 HIS HE1 H 1.835 -1.834 -6.780 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HE1 . . . . . . . . . c25522_2n0e 1 . 10 . 1460 . 1 1 8 HIS HE2 H -0.549 -1.173 -6.884 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HE2 . . . . . . . . . c25522_2n0e 1 . 10 . 1461 . 1 1 8 HIS N N -1.577 -2.215 -1.085 . . . 1.0 . . . . . . . . . . . . A . 8 HIS N . . . . . . . . . c25522_2n0e 1 . 10 . 1462 . 1 1 8 HIS ND1 N 1.550 -2.172 -4.763 . . . 1.0 . . . . . . . . . . . . A . 8 HIS ND1 . . . . . . . . . c25522_2n0e 1 . 10 . 1463 . 1 1 8 HIS NE2 N -0.073 -1.471 -6.056 . . . 1.0 . . . . . . . . . . . . A . 8 HIS NE2 . . . . . . . . . c25522_2n0e 1 . 10 . 1464 . 1 1 8 HIS O O -0.176 -5.362 -2.074 . . . 1.0 . . . . . . . . . . . . A . 8 HIS O . . . . . . . . . c25522_2n0e 1 . 10 . 1465 . 1 1 9 LEU C C -1.281 -6.059 1.592 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . c25522_2n0e 1 . 10 . 1466 . 1 1 9 LEU CA C -0.132 -5.633 0.684 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . c25522_2n0e 1 . 10 . 1467 . 1 1 9 LEU CB C 1.134 -5.411 1.513 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . c25522_2n0e 1 . 10 . 1468 . 1 1 9 LEU CD1 C 3.631 -5.331 1.706 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . c25522_2n0e 1 . 10 . 1469 . 1 1 9 LEU CD2 C 2.547 -7.063 0.264 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . c25522_2n0e 1 . 10 . 1470 . 1 1 9 LEU CG C 2.460 -5.637 0.786 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . c25522_2n0e 1 . 10 . 1471 . 1 1 9 LEU H H -0.718 -3.595 0.454 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . c25522_2n0e 1 . 10 . 1472 . 1 1 9 LEU HA H 0.032 -6.365 0.023 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . c25522_2n0e 1 . 10 . 1473 . 1 1 9 LEU HB2 H 1.123 -4.467 1.842 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . c25522_2n0e 1 . 10 . 1474 . 1 1 9 LEU HB3 H 1.103 -6.036 2.293 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . c25522_2n0e 1 . 10 . 1475 . 1 1 9 LEU HD11 H 3.583 -4.377 2.002 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . c25522_2n0e 1 . 10 . 1476 . 1 1 9 LEU HD12 H 3.594 -5.931 2.505 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . c25522_2n0e 1 . 10 . 1477 . 1 1 9 LEU HD13 H 4.488 -5.484 1.214 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . c25522_2n0e 1 . 10 . 1478 . 1 1 9 LEU HD21 H 1.790 -7.225 -0.369 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . c25522_2n0e 1 . 10 . 1479 . 1 1 9 LEU HD22 H 3.415 -7.209 -0.211 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . c25522_2n0e 1 . 10 . 1480 . 1 1 9 LEU HD23 H 2.479 -7.696 1.035 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . c25522_2n0e 1 . 10 . 1481 . 1 1 9 LEU HG H 2.503 -5.036 -0.012 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . c25522_2n0e 1 . 10 . 1482 . 1 1 9 LEU N N -0.473 -4.421 -0.053 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . c25522_2n0e 1 . 10 . 1483 . 1 1 9 LEU O O -1.954 -7.056 1.334 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . c25522_2n0e 1 . 10 . 1484 . 1 1 10 MET C C -3.811 -4.756 3.299 . . . 1.0 . . . . . . . . . . . . A . 10 MET C . . . . . . . . . c25522_2n0e 1 . 10 . 1485 . 1 1 10 MET CA C -2.572 -5.591 3.603 . . . 1.0 . . . . . . . . . . . . A . 10 MET CA . . . . . . . . . c25522_2n0e 1 . 10 . 1486 . 1 1 10 MET CB C -2.103 -5.329 5.035 . . . 1.0 . . . . . . . . . . . . A . 10 MET CB . . . . . . . . . c25522_2n0e 1 . 10 . 1487 . 1 1 10 MET CE C 0.840 -3.744 5.975 . . . 1.0 . . . . . . . . . . . . A . 10 MET CE . . . . . . . . . c25522_2n0e 1 . 10 . 1488 . 1 1 10 MET CG C -1.854 -3.859 5.334 . . . 1.0 . . . . . . . . . . . . A . 10 MET CG . . . . . . . . . c25522_2n0e 1 . 10 . 1489 . 1 1 10 MET H H -0.918 -4.498 2.814 . . . 1.0 . . . . . . . . . . . . A . 10 MET H . . . . . . . . . c25522_2n0e 1 . 10 . 1490 . 1 1 10 MET HA H -2.818 -6.554 3.495 . . . 1.0 . . . . . . . . . . . . A . 10 MET HA . . . . . . . . . c25522_2n0e 1 . 10 . 1491 . 1 1 10 MET HB2 H -2.804 -5.665 5.665 . . . 1.0 . . . . . . . . . . . . A . 10 MET HB2 . . . . . . . . . c25522_2n0e 1 . 10 . 1492 . 1 1 10 MET HB3 H -1.251 -5.831 5.186 . . . 1.0 . . . . . . . . . . . . A . 10 MET HB3 . . . . . . . . . c25522_2n0e 1 . 10 . 1493 . 1 1 10 MET HE1 H 0.927 -4.646 5.552 . . . 1.0 . . . . . . . . . . . . A . 10 MET HE1 . . . . . . . . . c25522_2n0e 1 . 10 . 1494 . 1 1 10 MET HE2 H 0.924 -3.037 5.273 . . . 1.0 . . . . . . . . . . . . A . 10 MET HE2 . . . . . . . . . c25522_2n0e 1 . 10 . 1495 . 1 1 10 MET HE3 H 1.562 -3.625 6.657 . . . 1.0 . . . . . . . . . . . . A . 10 MET HE3 . . . . . . . . . c25522_2n0e 1 . 10 . 1496 . 1 1 10 MET HG2 H -1.436 -3.441 4.528 . . . 1.0 . . . . . . . . . . . . A . 10 MET HG2 . . . . . . . . . c25522_2n0e 1 . 10 . 1497 . 1 1 10 MET HG3 H -2.735 -3.422 5.518 . . . 1.0 . . . . . . . . . . . . A . 10 MET HG3 . . . . . . . . . c25522_2n0e 1 . 10 . 1498 . 1 1 10 MET N N -1.501 -5.295 2.657 . . . 1.0 . . . . . . . . . . . . A . 10 MET N . . . . . . . . . c25522_2n0e 1 . 10 . 1499 . 1 1 10 MET O O -4.899 -5.295 3.089 . . . 1.0 . . . . . . . . . . . . A . 10 MET O . . . . . . . . . c25522_2n0e 1 . 10 . 1500 . 1 1 10 MET SD S -0.769 -3.612 6.752 . . . 1.0 . . . . . . . . . . . . A . 10 MET SD . . . . . . . . . c25522_2n0e 1 . 11 . 1501 . 1 1 1 GLY C C -0.508 9.636 3.698 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c25522_2n0e 1 . 11 . 1502 . 1 1 1 GLY CA C -0.742 10.942 2.966 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c25522_2n0e 1 . 11 . 1503 . 1 1 1 GLY H1 H -2.287 11.583 4.095 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c25522_2n0e 1 . 11 . 1504 . 1 1 1 GLY H2 H -2.204 12.291 2.626 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H2 . . . . . . . . . c25522_2n0e 1 . 11 . 1505 . 1 1 1 GLY H3 H -2.741 10.755 2.763 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H3 . . . . . . . . . c25522_2n0e 1 . 11 . 1506 . 1 1 1 GLY HA2 H -0.564 10.801 1.992 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c25522_2n0e 1 . 11 . 1507 . 1 1 1 GLY HA3 H -0.109 11.629 3.324 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c25522_2n0e 1 . 11 . 1508 . 1 1 1 GLY N N -2.099 11.431 3.125 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c25522_2n0e 1 . 11 . 1509 . 1 1 1 GLY O O 0.157 9.607 4.733 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c25522_2n0e 1 . 11 . 1510 . 1 1 2 ASN C C 0.173 6.427 3.062 . . . 1.0 . . . . . . . . . . . . A . 2 ASN C . . . . . . . . . c25522_2n0e 1 . 11 . 1511 . 1 1 2 ASN CA C -0.908 7.235 3.773 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CA . . . . . . . . . c25522_2n0e 1 . 11 . 1512 . 1 1 2 ASN CB C -2.236 6.477 3.735 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CB . . . . . . . . . c25522_2n0e 1 . 11 . 1513 . 1 1 2 ASN CG C -3.075 6.720 4.974 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CG . . . . . . . . . c25522_2n0e 1 . 11 . 1514 . 1 1 2 ASN H H -1.590 8.641 2.319 . . . 1.0 . . . . . . . . . . . . A . 2 ASN H . . . . . . . . . c25522_2n0e 1 . 11 . 1515 . 1 1 2 ASN HA H -0.589 7.385 4.709 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HA . . . . . . . . . c25522_2n0e 1 . 11 . 1516 . 1 1 2 ASN HB2 H -2.753 6.775 2.933 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HB2 . . . . . . . . . c25522_2n0e 1 . 11 . 1517 . 1 1 2 ASN HB3 H -2.045 5.498 3.663 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HB3 . . . . . . . . . c25522_2n0e 1 . 11 . 1518 . 1 1 2 ASN HD21 H -3.723 8.489 4.238 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HD21 . . . . . . . . . c25522_2n0e 1 . 11 . 1519 . 1 1 2 ASN HD22 H -4.343 8.062 5.798 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HD22 . . . . . . . . . c25522_2n0e 1 . 11 . 1520 . 1 1 2 ASN N N -1.059 8.552 3.162 . . . 1.0 . . . . . . . . . . . . A . 2 ASN N . . . . . . . . . c25522_2n0e 1 . 11 . 1521 . 1 1 2 ASN ND2 N -3.771 7.850 5.006 . . . 1.0 . . . . . . . . . . . . A . 2 ASN ND2 . . . . . . . . . c25522_2n0e 1 . 11 . 1522 . 1 1 2 ASN O O 0.787 6.897 2.104 . . . 1.0 . . . . . . . . . . . . A . 2 ASN O . . . . . . . . . c25522_2n0e 1 . 11 . 1523 . 1 1 2 ASN OD1 O -3.098 5.899 5.892 . . . 1.0 . . . . . . . . . . . . A . 2 ASN OD1 . . . . . . . . . c25522_2n0e 1 . 11 . 1524 . 1 1 3 HIS C C 0.857 3.629 1.709 . . . 1.0 . . . . . . . . . . . . A . 3 HIS C . . . . . . . . . c25522_2n0e 1 . 11 . 1525 . 1 1 3 HIS CA C 1.407 4.330 2.947 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CA . . . . . . . . . c25522_2n0e 1 . 11 . 1526 . 1 1 3 HIS CB C 1.876 3.293 3.968 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CB . . . . . . . . . c25522_2n0e 1 . 11 . 1527 . 1 1 3 HIS CD2 C 4.247 2.329 3.531 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CD2 . . . . . . . . . c25522_2n0e 1 . 11 . 1528 . 1 1 3 HIS CE1 C 5.377 3.744 4.763 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CE1 . . . . . . . . . c25522_2n0e 1 . 11 . 1529 . 1 1 3 HIS CG C 3.372 3.209 4.095 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CG . . . . . . . . . c25522_2n0e 1 . 11 . 1530 . 1 1 3 HIS H H -0.133 4.880 4.318 . . . 1.0 . . . . . . . . . . . . A . 3 HIS H . . . . . . . . . c25522_2n0e 1 . 11 . 1531 . 1 1 3 HIS HA H 2.183 4.894 2.665 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HA . . . . . . . . . c25522_2n0e 1 . 11 . 1532 . 1 1 3 HIS HB2 H 1.497 3.533 4.862 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HB2 . . . . . . . . . c25522_2n0e 1 . 11 . 1533 . 1 1 3 HIS HB3 H 1.533 2.396 3.690 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HB3 . . . . . . . . . c25522_2n0e 1 . 11 . 1534 . 1 1 3 HIS HD2 H 4.018 1.572 2.919 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HD2 . . . . . . . . . c25522_2n0e 1 . 11 . 1535 . 1 1 3 HIS HE1 H 6.135 4.211 5.218 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HE1 . . . . . . . . . c25522_2n0e 1 . 11 . 1536 . 1 1 3 HIS HE2 H 6.383 2.241 3.740 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HE2 . . . . . . . . . c25522_2n0e 1 . 11 . 1537 . 1 1 3 HIS N N 0.400 5.206 3.537 . . . 1.0 . . . . . . . . . . . . A . 3 HIS N . . . . . . . . . c25522_2n0e 1 . 11 . 1538 . 1 1 3 HIS ND1 N 4.104 4.094 4.869 . . . 1.0 . . . . . . . . . . . . A . 3 HIS ND1 . . . . . . . . . c25522_2n0e 1 . 11 . 1539 . 1 1 3 HIS NE2 N 5.514 2.681 3.965 . . . 1.0 . . . . . . . . . . . . A . 3 HIS NE2 . . . . . . . . . c25522_2n0e 1 . 11 . 1540 . 1 1 3 HIS O O -0.227 3.960 1.226 . . . 1.0 . . . . . . . . . . . . A . 3 HIS O . . . . . . . . . c25522_2n0e 1 . 11 . 1541 . 1 1 4 TRP C C 0.845 0.473 0.381 . . . 1.0 . . . . . . . . . . . . A . 4 TRP C . . . . . . . . . c25522_2n0e 1 . 11 . 1542 . 1 1 4 TRP CA C 1.197 1.911 0.019 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CA . . . . . . . . . c25522_2n0e 1 . 11 . 1543 . 1 1 4 TRP CB C 2.306 1.929 -1.034 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CB . . . . . . . . . c25522_2n0e 1 . 11 . 1544 . 1 1 4 TRP CD1 C 4.561 2.275 0.133 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CD1 . . . . . . . . . c25522_2n0e 1 . 11 . 1545 . 1 1 4 TRP CD2 C 4.195 0.177 -0.558 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CD2 . . . . . . . . . c25522_2n0e 1 . 11 . 1546 . 1 1 4 TRP CE2 C 5.459 0.231 0.061 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CE2 . . . . . . . . . c25522_2n0e 1 . 11 . 1547 . 1 1 4 TRP CE3 C 3.749 -1.045 -1.072 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CE3 . . . . . . . . . c25522_2n0e 1 . 11 . 1548 . 1 1 4 TRP CG C 3.637 1.494 -0.502 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CG . . . . . . . . . c25522_2n0e 1 . 11 . 1549 . 1 1 4 TRP CH2 C 5.816 -2.070 -0.333 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CH2 . . . . . . . . . c25522_2n0e 1 . 11 . 1550 . 1 1 4 TRP CZ2 C 6.279 -0.888 0.179 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CZ2 . . . . . . . . . c25522_2n0e 1 . 11 . 1551 . 1 1 4 TRP CZ3 C 4.564 -2.154 -0.954 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CZ3 . . . . . . . . . c25522_2n0e 1 . 11 . 1552 . 1 1 4 TRP H H 2.479 2.436 1.642 . . . 1.0 . . . . . . . . . . . . A . 4 TRP H . . . . . . . . . c25522_2n0e 1 . 11 . 1553 . 1 1 4 TRP HA H 0.366 2.342 -0.333 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HA . . . . . . . . . c25522_2n0e 1 . 11 . 1554 . 1 1 4 TRP HB2 H 2.048 1.314 -1.780 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HB2 . . . . . . . . . c25522_2n0e 1 . 11 . 1555 . 1 1 4 TRP HB3 H 2.397 2.860 -1.386 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HB3 . . . . . . . . . c25522_2n0e 1 . 11 . 1556 . 1 1 4 TRP HD1 H 4.455 3.251 0.322 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HD1 . . . . . . . . . c25522_2n0e 1 . 11 . 1557 . 1 1 4 TRP HE1 H 6.473 1.859 0.947 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HE1 . . . . . . . . . c25522_2n0e 1 . 11 . 1558 . 1 1 4 TRP HE3 H 2.856 -1.116 -1.517 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HE3 . . . . . . . . . c25522_2n0e 1 . 11 . 1559 . 1 1 4 TRP HH2 H 6.382 -2.892 -0.263 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HH2 . . . . . . . . . c25522_2n0e 1 . 11 . 1560 . 1 1 4 TRP HZ2 H 7.173 -0.826 0.622 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HZ2 . . . . . . . . . c25522_2n0e 1 . 11 . 1561 . 1 1 4 TRP HZ3 H 4.254 -3.032 -1.319 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HZ3 . . . . . . . . . c25522_2n0e 1 . 11 . 1562 . 1 1 4 TRP N N 1.609 2.659 1.202 . . . 1.0 . . . . . . . . . . . . A . 4 TRP N . . . . . . . . . c25522_2n0e 1 . 11 . 1563 . 1 1 4 TRP NE1 N 5.659 1.522 0.474 . . . 1.0 . . . . . . . . . . . . A . 4 TRP NE1 . . . . . . . . . c25522_2n0e 1 . 11 . 1564 . 1 1 4 TRP O O -0.179 -0.054 -0.053 . . . 1.0 . . . . . . . . . . . . A . 4 TRP O . . . . . . . . . c25522_2n0e 1 . 11 . 1565 . 1 1 5 ALA C C 0.093 -1.707 2.213 . . . 1.0 . . . . . . . . . . . . A . 5 ALA C . . . . . . . . . c25522_2n0e 1 . 11 . 1566 . 1 1 5 ALA CA C 1.479 -1.537 1.599 . . . 1.0 . . . . . . . . . . . . A . 5 ALA CA . . . . . . . . . c25522_2n0e 1 . 11 . 1567 . 1 1 5 ALA CB C 2.553 -1.966 2.589 . . . 1.0 . . . . . . . . . . . . A . 5 ALA CB . . . . . . . . . c25522_2n0e 1 . 11 . 1568 . 1 1 5 ALA H H 2.517 0.323 1.497 . . . 1.0 . . . . . . . . . . . . A . 5 ALA H . . . . . . . . . c25522_2n0e 1 . 11 . 1569 . 1 1 5 ALA HA H 1.541 -2.127 0.794 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HA . . . . . . . . . c25522_2n0e 1 . 11 . 1570 . 1 1 5 ALA HB1 H 2.522 -1.368 3.390 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB1 . . . . . . . . . c25522_2n0e 1 . 11 . 1571 . 1 1 5 ALA HB2 H 2.393 -2.912 2.872 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB2 . . . . . . . . . c25522_2n0e 1 . 11 . 1572 . 1 1 5 ALA HB3 H 3.451 -1.895 2.154 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB3 . . . . . . . . . c25522_2n0e 1 . 11 . 1573 . 1 1 5 ALA N N 1.701 -0.159 1.178 . . . 1.0 . . . . . . . . . . . . A . 5 ALA N . . . . . . . . . c25522_2n0e 1 . 11 . 1574 . 1 1 5 ALA O O -0.495 -2.787 2.154 . . . 1.0 . . . . . . . . . . . . A . 5 ALA O . . . . . . . . . c25522_2n0e 1 . 11 . 1575 . 1 1 6 VAL C C -2.790 -1.217 2.468 . . . 1.0 . . . . . . . . . . . . A . 6 VAL C . . . . . . . . . c25522_2n0e 1 . 11 . 1576 . 1 1 6 VAL CA C -1.743 -0.662 3.426 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CA . . . . . . . . . c25522_2n0e 1 . 11 . 1577 . 1 1 6 VAL CB C -2.174 0.740 3.889 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CB . . . . . . . . . c25522_2n0e 1 . 11 . 1578 . 1 1 6 VAL CG1 C -1.222 1.272 4.948 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CG1 . . . . . . . . . c25522_2n0e 1 . 11 . 1579 . 1 1 6 VAL CG2 C -2.253 1.691 2.704 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CG2 . . . . . . . . . c25522_2n0e 1 . 11 . 1580 . 1 1 6 VAL H H 0.105 0.216 2.816 . . . 1.0 . . . . . . . . . . . . A . 6 VAL H . . . . . . . . . c25522_2n0e 1 . 11 . 1581 . 1 1 6 VAL HA H -1.694 -1.277 4.213 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HA . . . . . . . . . c25522_2n0e 1 . 11 . 1582 . 1 1 6 VAL HB H -3.077 0.656 4.310 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HB . . . . . . . . . c25522_2n0e 1 . 11 . 1583 . 1 1 6 VAL HG11 H -0.297 1.332 4.573 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG11 . . . . . . . . . c25522_2n0e 1 . 11 . 1584 . 1 1 6 VAL HG12 H -1.529 2.182 5.227 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG12 . . . . . . . . . c25522_2n0e 1 . 11 . 1585 . 1 1 6 VAL HG13 H -1.221 0.663 5.741 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG13 . . . . . . . . . c25522_2n0e 1 . 11 . 1586 . 1 1 6 VAL HG21 H -2.922 1.351 2.043 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG21 . . . . . . . . . c25522_2n0e 1 . 11 . 1587 . 1 1 6 VAL HG22 H -2.534 2.594 3.028 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG22 . . . . . . . . . c25522_2n0e 1 . 11 . 1588 . 1 1 6 VAL HG23 H -1.357 1.758 2.266 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG23 . . . . . . . . . c25522_2n0e 1 . 11 . 1589 . 1 1 6 VAL N N -0.423 -0.633 2.801 . . . 1.0 . . . . . . . . . . . . A . 6 VAL N . . . . . . . . . c25522_2n0e 1 . 11 . 1590 . 1 1 6 VAL O O -3.773 -1.825 2.892 . . . 1.0 . . . . . . . . . . . . A . 6 VAL O . . . . . . . . . c25522_2n0e 1 . 11 . 1591 . 1 1 7 GLY C C -2.861 -2.431 -0.818 . . . 1.0 . . . . . . . . . . . . A . 7 GLY C . . . . . . . . . c25522_2n0e 1 . 11 . 1592 . 1 1 7 GLY CA C -3.510 -1.488 0.176 . . . 1.0 . . . . . . . . . . . . A . 7 GLY CA . . . . . . . . . c25522_2n0e 1 . 11 . 1593 . 1 1 7 GLY H H -1.759 -0.502 0.885 . . . 1.0 . . . . . . . . . . . . A . 7 GLY H . . . . . . . . . c25522_2n0e 1 . 11 . 1594 . 1 1 7 GLY HA2 H -4.252 -1.972 0.640 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA2 . . . . . . . . . c25522_2n0e 1 . 11 . 1595 . 1 1 7 GLY HA3 H -3.883 -0.705 -0.321 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA3 . . . . . . . . . c25522_2n0e 1 . 11 . 1596 . 1 1 7 GLY N N -2.575 -1.003 1.174 . . . 1.0 . . . . . . . . . . . . A . 7 GLY N . . . . . . . . . c25522_2n0e 1 . 11 . 1597 . 1 1 7 GLY O O -3.510 -3.339 -1.338 . . . 1.0 . . . . . . . . . . . . A . 7 GLY O . . . . . . . . . c25522_2n0e 1 . 11 . 1598 . 1 1 8 HIS C C -0.463 -4.387 -1.381 . . . 1.0 . . . . . . . . . . . . A . 8 HIS C . . . . . . . . . c25522_2n0e 1 . 11 . 1599 . 1 1 8 HIS CA C -0.839 -3.054 -2.022 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CA . . . . . . . . . c25522_2n0e 1 . 11 . 1600 . 1 1 8 HIS CB C 0.420 -2.332 -2.502 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CB . . . . . . . . . c25522_2n0e 1 . 11 . 1601 . 1 1 8 HIS CD2 C -0.577 -1.549 -4.768 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CD2 . . . . . . . . . c25522_2n0e 1 . 11 . 1602 . 1 1 8 HIS CE1 C 1.206 -1.854 -6.001 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CE1 . . . . . . . . . c25522_2n0e 1 . 11 . 1603 . 1 1 8 HIS CG C 0.422 -2.028 -3.974 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CG . . . . . . . . . c25522_2n0e 1 . 11 . 1604 . 1 1 8 HIS H H -1.103 -1.463 -0.627 . . . 1.0 . . . . . . . . . . . . A . 8 HIS H . . . . . . . . . c25522_2n0e 1 . 11 . 1605 . 1 1 8 HIS HA H -1.434 -3.243 -2.803 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HA . . . . . . . . . c25522_2n0e 1 . 11 . 1606 . 1 1 8 HIS HB2 H 0.500 -1.469 -2.003 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HB2 . . . . . . . . . c25522_2n0e 1 . 11 . 1607 . 1 1 8 HIS HB3 H 1.212 -2.908 -2.300 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HB3 . . . . . . . . . c25522_2n0e 1 . 11 . 1608 . 1 1 8 HIS HD2 H -1.506 -1.316 -4.480 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HD2 . . . . . . . . . c25522_2n0e 1 . 11 . 1609 . 1 1 8 HIS HE1 H 1.821 -1.884 -6.789 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HE1 . . . . . . . . . c25522_2n0e 1 . 11 . 1610 . 1 1 8 HIS HE2 H -0.531 -1.127 -6.873 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HE2 . . . . . . . . . c25522_2n0e 1 . 11 . 1611 . 1 1 8 HIS N N -1.576 -2.217 -1.083 . . . 1.0 . . . . . . . . . . . . A . 8 HIS N . . . . . . . . . c25522_2n0e 1 . 11 . 1612 . 1 1 8 HIS ND1 N 1.540 -2.215 -4.770 . . . 1.0 . . . . . . . . . . . . A . 8 HIS ND1 . . . . . . . . . c25522_2n0e 1 . 11 . 1613 . 1 1 8 HIS NE2 N -0.063 -1.445 -6.049 . . . 1.0 . . . . . . . . . . . . A . 8 HIS NE2 . . . . . . . . . c25522_2n0e 1 . 11 . 1614 . 1 1 8 HIS O O -0.171 -5.361 -2.076 . . . 1.0 . . . . . . . . . . . . A . 8 HIS O . . . . . . . . . c25522_2n0e 1 . 11 . 1615 . 1 1 9 LEU C C -1.283 -6.064 1.588 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . c25522_2n0e 1 . 11 . 1616 . 1 1 9 LEU CA C -0.134 -5.637 0.681 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . c25522_2n0e 1 . 11 . 1617 . 1 1 9 LEU CB C 1.131 -5.416 1.513 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . c25522_2n0e 1 . 11 . 1618 . 1 1 9 LEU CD1 C 3.629 -5.335 1.710 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . c25522_2n0e 1 . 11 . 1619 . 1 1 9 LEU CD2 C 2.547 -7.064 0.263 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . c25522_2n0e 1 . 11 . 1620 . 1 1 9 LEU CG C 2.459 -5.639 0.787 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . c25522_2n0e 1 . 11 . 1621 . 1 1 9 LEU H H -0.722 -3.599 0.456 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . c25522_2n0e 1 . 11 . 1622 . 1 1 9 LEU HA H 0.029 -6.368 0.019 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . c25522_2n0e 1 . 11 . 1623 . 1 1 9 LEU HB2 H 1.119 -4.473 1.845 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . c25522_2n0e 1 . 11 . 1624 . 1 1 9 LEU HB3 H 1.100 -6.043 2.291 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . c25522_2n0e 1 . 11 . 1625 . 1 1 9 LEU HD11 H 3.580 -4.382 2.009 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . c25522_2n0e 1 . 11 . 1626 . 1 1 9 LEU HD12 H 3.591 -5.937 2.507 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . c25522_2n0e 1 . 11 . 1627 . 1 1 9 LEU HD13 H 4.487 -5.486 1.219 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . c25522_2n0e 1 . 11 . 1628 . 1 1 9 LEU HD21 H 1.790 -7.225 -0.371 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . c25522_2n0e 1 . 11 . 1629 . 1 1 9 LEU HD22 H 3.416 -7.208 -0.211 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . c25522_2n0e 1 . 11 . 1630 . 1 1 9 LEU HD23 H 2.478 -7.699 1.033 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . c25522_2n0e 1 . 11 . 1631 . 1 1 9 LEU HG H 2.502 -5.036 -0.009 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . c25522_2n0e 1 . 11 . 1632 . 1 1 9 LEU N N -0.474 -4.424 -0.053 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . c25522_2n0e 1 . 11 . 1633 . 1 1 9 LEU O O -1.945 -7.071 1.335 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . c25522_2n0e 1 . 11 . 1634 . 1 1 10 MET C C -3.729 -4.587 3.447 . . . 1.0 . . . . . . . . . . . . A . 10 MET C . . . . . . . . . c25522_2n0e 1 . 11 . 1635 . 1 1 10 MET CA C -2.589 -5.590 3.587 . . . 1.0 . . . . . . . . . . . . A . 10 MET CA . . . . . . . . . c25522_2n0e 1 . 11 . 1636 . 1 1 10 MET CB C -2.055 -5.576 5.021 . . . 1.0 . . . . . . . . . . . . A . 10 MET CB . . . . . . . . . c25522_2n0e 1 . 11 . 1637 . 1 1 10 MET CE C 0.783 -2.649 5.908 . . . 1.0 . . . . . . . . . . . . A . 10 MET CE . . . . . . . . . c25522_2n0e 1 . 11 . 1638 . 1 1 10 MET CG C -1.424 -4.253 5.422 . . . 1.0 . . . . . . . . . . . . A . 10 MET CG . . . . . . . . . c25522_2n0e 1 . 11 . 1639 . 1 1 10 MET H H -0.944 -4.487 2.796 . . . 1.0 . . . . . . . . . . . . A . 10 MET H . . . . . . . . . c25522_2n0e 1 . 11 . 1640 . 1 1 10 MET HA H -2.950 -6.496 3.364 . . . 1.0 . . . . . . . . . . . . A . 10 MET HA . . . . . . . . . c25522_2n0e 1 . 11 . 1641 . 1 1 10 MET HB2 H -2.814 -5.765 5.644 . . . 1.0 . . . . . . . . . . . . A . 10 MET HB2 . . . . . . . . . c25522_2n0e 1 . 11 . 1642 . 1 1 10 MET HB3 H -1.365 -6.294 5.109 . . . 1.0 . . . . . . . . . . . . A . 10 MET HB3 . . . . . . . . . c25522_2n0e 1 . 11 . 1643 . 1 1 10 MET HE1 H 0.307 -1.929 5.403 . . . 1.0 . . . . . . . . . . . . A . 10 MET HE1 . . . . . . . . . c25522_2n0e 1 . 11 . 1644 . 1 1 10 MET HE2 H 0.495 -2.630 6.865 . . . 1.0 . . . . . . . . . . . . A . 10 MET HE2 . . . . . . . . . c25522_2n0e 1 . 11 . 1645 . 1 1 10 MET HE3 H 1.770 -2.498 5.854 . . . 1.0 . . . . . . . . . . . . A . 10 MET HE3 . . . . . . . . . c25522_2n0e 1 . 11 . 1646 . 1 1 10 MET HG2 H -1.827 -3.530 4.862 . . . 1.0 . . . . . . . . . . . . A . 10 MET HG2 . . . . . . . . . c25522_2n0e 1 . 11 . 1647 . 1 1 10 MET HG3 H -1.633 -4.084 6.385 . . . 1.0 . . . . . . . . . . . . A . 10 MET HG3 . . . . . . . . . c25522_2n0e 1 . 11 . 1648 . 1 1 10 MET N N -1.517 -5.292 2.644 . . . 1.0 . . . . . . . . . . . . A . 10 MET N . . . . . . . . . c25522_2n0e 1 . 11 . 1649 . 1 1 10 MET O O -4.855 -4.953 3.108 . . . 1.0 . . . . . . . . . . . . A . 10 MET O . . . . . . . . . c25522_2n0e 1 . 11 . 1650 . 1 1 10 MET SD S 0.364 -4.240 5.199 . . . 1.0 . . . . . . . . . . . . A . 10 MET SD . . . . . . . . . c25522_2n0e 1 . 12 . 1651 . 1 1 1 GLY C C -0.681 9.645 3.861 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c25522_2n0e 1 . 12 . 1652 . 1 1 1 GLY CA C -0.885 10.962 3.137 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c25522_2n0e 1 . 12 . 1653 . 1 1 1 GLY H1 H -2.402 11.641 4.281 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c25522_2n0e 1 . 12 . 1654 . 1 1 1 GLY H2 H -2.310 12.353 2.815 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H2 . . . . . . . . . c25522_2n0e 1 . 12 . 1655 . 1 1 1 GLY H3 H -2.890 10.833 2.949 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H3 . . . . . . . . . c25522_2n0e 1 . 12 . 1656 . 1 1 1 GLY HA2 H -0.718 10.821 2.161 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c25522_2n0e 1 . 12 . 1657 . 1 1 1 GLY HA3 H -0.231 11.629 3.494 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c25522_2n0e 1 . 12 . 1658 . 1 1 1 GLY N N -2.226 11.488 3.309 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c25522_2n0e 1 . 12 . 1659 . 1 1 1 GLY O O -0.196 9.619 4.991 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c25522_2n0e 1 . 12 . 1660 . 1 1 2 ASN C C 0.173 6.423 3.085 . . . 1.0 . . . . . . . . . . . . A . 2 ASN C . . . . . . . . . c25522_2n0e 1 . 12 . 1661 . 1 1 2 ASN CA C -0.914 7.223 3.799 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CA . . . . . . . . . c25522_2n0e 1 . 12 . 1662 . 1 1 2 ASN CB C -2.243 6.469 3.734 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CB . . . . . . . . . c25522_2n0e 1 . 12 . 1663 . 1 1 2 ASN CG C -3.099 6.699 4.964 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CG . . . . . . . . . c25522_2n0e 1 . 12 . 1664 . 1 1 2 ASN H H -1.443 8.636 2.291 . . . 1.0 . . . . . . . . . . . . A . 2 ASN H . . . . . . . . . c25522_2n0e 1 . 12 . 1665 . 1 1 2 ASN HA H -0.604 7.356 4.740 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HA . . . . . . . . . c25522_2n0e 1 . 12 . 1666 . 1 1 2 ASN HB2 H -2.748 6.778 2.928 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HB2 . . . . . . . . . c25522_2n0e 1 . 12 . 1667 . 1 1 2 ASN HB3 H -2.053 5.491 3.653 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HB3 . . . . . . . . . c25522_2n0e 1 . 12 . 1668 . 1 1 2 ASN HD21 H -2.123 5.237 5.964 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HD21 . . . . . . . . . c25522_2n0e 1 . 12 . 1669 . 1 1 2 ASN HD22 H -3.379 6.032 6.853 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HD22 . . . . . . . . . c25522_2n0e 1 . 12 . 1670 . 1 1 2 ASN N N -1.055 8.549 3.209 . . . 1.0 . . . . . . . . . . . . A . 2 ASN N . . . . . . . . . c25522_2n0e 1 . 12 . 1671 . 1 1 2 ASN ND2 N -2.846 5.926 6.013 . . . 1.0 . . . . . . . . . . . . A . 2 ASN ND2 . . . . . . . . . c25522_2n0e 1 . 12 . 1672 . 1 1 2 ASN O O 0.798 6.909 2.142 . . . 1.0 . . . . . . . . . . . . A . 2 ASN O . . . . . . . . . c25522_2n0e 1 . 12 . 1673 . 1 1 2 ASN OD1 O -3.977 7.562 4.969 . . . 1.0 . . . . . . . . . . . . A . 2 ASN OD1 . . . . . . . . . c25522_2n0e 1 . 12 . 1674 . 1 1 3 HIS C C 0.853 3.622 1.710 . . . 1.0 . . . . . . . . . . . . A . 3 HIS C . . . . . . . . . c25522_2n0e 1 . 12 . 1675 . 1 1 3 HIS CA C 1.402 4.327 2.947 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CA . . . . . . . . . c25522_2n0e 1 . 12 . 1676 . 1 1 3 HIS CB C 1.883 3.291 3.965 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CB . . . . . . . . . c25522_2n0e 1 . 12 . 1677 . 1 1 3 HIS CD2 C 4.245 2.314 3.507 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CD2 . . . . . . . . . c25522_2n0e 1 . 12 . 1678 . 1 1 3 HIS CE1 C 5.397 3.739 4.704 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CE1 . . . . . . . . . c25522_2n0e 1 . 12 . 1679 . 1 1 3 HIS CG C 3.380 3.203 4.071 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CG . . . . . . . . . c25522_2n0e 1 . 12 . 1680 . 1 1 3 HIS H H -0.149 4.858 4.313 . . . 1.0 . . . . . . . . . . . . A . 3 HIS H . . . . . . . . . c25522_2n0e 1 . 12 . 1681 . 1 1 3 HIS HA H 2.172 4.897 2.662 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HA . . . . . . . . . c25522_2n0e 1 . 12 . 1682 . 1 1 3 HIS HB2 H 1.517 3.535 4.863 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HB2 . . . . . . . . . c25522_2n0e 1 . 12 . 1683 . 1 1 3 HIS HB3 H 1.533 2.394 3.695 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HB3 . . . . . . . . . c25522_2n0e 1 . 12 . 1684 . 1 1 3 HIS HD2 H 4.005 1.550 2.908 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HD2 . . . . . . . . . c25522_2n0e 1 . 12 . 1685 . 1 1 3 HIS HE1 H 6.164 4.208 5.142 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HE1 . . . . . . . . . c25522_2n0e 1 . 12 . 1686 . 1 1 3 HIS HE2 H 6.380 2.219 3.683 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HE2 . . . . . . . . . c25522_2n0e 1 . 12 . 1687 . 1 1 3 HIS N N 0.392 5.195 3.542 . . . 1.0 . . . . . . . . . . . . A . 3 HIS N . . . . . . . . . c25522_2n0e 1 . 12 . 1688 . 1 1 3 HIS ND1 N 4.126 4.095 4.824 . . . 1.0 . . . . . . . . . . . . A . 3 HIS ND1 . . . . . . . . . c25522_2n0e 1 . 12 . 1689 . 1 1 3 HIS NE2 N 5.517 2.666 3.917 . . . 1.0 . . . . . . . . . . . . A . 3 HIS NE2 . . . . . . . . . c25522_2n0e 1 . 12 . 1690 . 1 1 3 HIS O O -0.234 3.945 1.232 . . . 1.0 . . . . . . . . . . . . A . 3 HIS O . . . . . . . . . c25522_2n0e 1 . 12 . 1691 . 1 1 4 TRP C C 0.848 0.473 0.379 . . . 1.0 . . . . . . . . . . . . A . 4 TRP C . . . . . . . . . c25522_2n0e 1 . 12 . 1692 . 1 1 4 TRP CA C 1.201 1.910 0.016 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CA . . . . . . . . . c25522_2n0e 1 . 12 . 1693 . 1 1 4 TRP CB C 2.311 1.926 -1.035 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CB . . . . . . . . . c25522_2n0e 1 . 12 . 1694 . 1 1 4 TRP CD1 C 4.564 2.274 0.135 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CD1 . . . . . . . . . c25522_2n0e 1 . 12 . 1695 . 1 1 4 TRP CD2 C 4.200 0.176 -0.555 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CD2 . . . . . . . . . c25522_2n0e 1 . 12 . 1696 . 1 1 4 TRP CE2 C 5.463 0.231 0.066 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CE2 . . . . . . . . . c25522_2n0e 1 . 12 . 1697 . 1 1 4 TRP CE3 C 3.755 -1.046 -1.069 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CE3 . . . . . . . . . c25522_2n0e 1 . 12 . 1698 . 1 1 4 TRP CG C 3.642 1.492 -0.500 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CG . . . . . . . . . c25522_2n0e 1 . 12 . 1699 . 1 1 4 TRP CH2 C 5.824 -2.070 -0.325 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CH2 . . . . . . . . . c25522_2n0e 1 . 12 . 1700 . 1 1 4 TRP CZ2 C 6.284 -0.887 0.186 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CZ2 . . . . . . . . . c25522_2n0e 1 . 12 . 1701 . 1 1 4 TRP CZ3 C 4.571 -2.155 -0.949 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CZ3 . . . . . . . . . c25522_2n0e 1 . 12 . 1702 . 1 1 4 TRP H H 2.486 2.445 1.633 . . . 1.0 . . . . . . . . . . . . A . 4 TRP H . . . . . . . . . c25522_2n0e 1 . 12 . 1703 . 1 1 4 TRP HA H 0.371 2.341 -0.337 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HA . . . . . . . . . c25522_2n0e 1 . 12 . 1704 . 1 1 4 TRP HB2 H 2.055 1.310 -1.780 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HB2 . . . . . . . . . c25522_2n0e 1 . 12 . 1705 . 1 1 4 TRP HB3 H 2.402 2.857 -1.389 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HB3 . . . . . . . . . c25522_2n0e 1 . 12 . 1706 . 1 1 4 TRP HD1 H 4.457 3.250 0.323 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HD1 . . . . . . . . . c25522_2n0e 1 . 12 . 1707 . 1 1 4 TRP HE1 H 6.475 1.860 0.951 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HE1 . . . . . . . . . c25522_2n0e 1 . 12 . 1708 . 1 1 4 TRP HE3 H 2.863 -1.117 -1.515 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HE3 . . . . . . . . . c25522_2n0e 1 . 12 . 1709 . 1 1 4 TRP HH2 H 6.390 -2.891 -0.254 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HH2 . . . . . . . . . c25522_2n0e 1 . 12 . 1710 . 1 1 4 TRP HZ2 H 7.177 -0.823 0.631 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HZ2 . . . . . . . . . c25522_2n0e 1 . 12 . 1711 . 1 1 4 TRP HZ3 H 4.262 -3.033 -1.314 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HZ3 . . . . . . . . . c25522_2n0e 1 . 12 . 1712 . 1 1 4 TRP N N 1.612 2.660 1.198 . . . 1.0 . . . . . . . . . . . . A . 4 TRP N . . . . . . . . . c25522_2n0e 1 . 12 . 1713 . 1 1 4 TRP NE1 N 5.662 1.522 0.478 . . . 1.0 . . . . . . . . . . . . A . 4 TRP NE1 . . . . . . . . . c25522_2n0e 1 . 12 . 1714 . 1 1 4 TRP O O -0.176 -0.054 -0.054 . . . 1.0 . . . . . . . . . . . . A . 4 TRP O . . . . . . . . . c25522_2n0e 1 . 12 . 1715 . 1 1 5 ALA C C 0.094 -1.703 2.214 . . . 1.0 . . . . . . . . . . . . A . 5 ALA C . . . . . . . . . c25522_2n0e 1 . 12 . 1716 . 1 1 5 ALA CA C 1.480 -1.535 1.600 . . . 1.0 . . . . . . . . . . . . A . 5 ALA CA . . . . . . . . . c25522_2n0e 1 . 12 . 1717 . 1 1 5 ALA CB C 2.554 -1.964 2.590 . . . 1.0 . . . . . . . . . . . . A . 5 ALA CB . . . . . . . . . c25522_2n0e 1 . 12 . 1718 . 1 1 5 ALA H H 2.521 0.322 1.496 . . . 1.0 . . . . . . . . . . . . A . 5 ALA H . . . . . . . . . c25522_2n0e 1 . 12 . 1719 . 1 1 5 ALA HA H 1.541 -2.125 0.795 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HA . . . . . . . . . c25522_2n0e 1 . 12 . 1720 . 1 1 5 ALA HB1 H 2.525 -1.365 3.390 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB1 . . . . . . . . . c25522_2n0e 1 . 12 . 1721 . 1 1 5 ALA HB2 H 2.393 -2.909 2.875 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB2 . . . . . . . . . c25522_2n0e 1 . 12 . 1722 . 1 1 5 ALA HB3 H 3.452 -1.895 2.155 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB3 . . . . . . . . . c25522_2n0e 1 . 12 . 1723 . 1 1 5 ALA N N 1.704 -0.159 1.178 . . . 1.0 . . . . . . . . . . . . A . 5 ALA N . . . . . . . . . c25522_2n0e 1 . 12 . 1724 . 1 1 5 ALA O O -0.494 -2.784 2.158 . . . 1.0 . . . . . . . . . . . . A . 5 ALA O . . . . . . . . . c25522_2n0e 1 . 12 . 1725 . 1 1 6 VAL C C -2.789 -1.212 2.469 . . . 1.0 . . . . . . . . . . . . A . 6 VAL C . . . . . . . . . c25522_2n0e 1 . 12 . 1726 . 1 1 6 VAL CA C -1.741 -0.656 3.424 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CA . . . . . . . . . c25522_2n0e 1 . 12 . 1727 . 1 1 6 VAL CB C -2.172 0.746 3.886 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CB . . . . . . . . . c25522_2n0e 1 . 12 . 1728 . 1 1 6 VAL CG1 C -1.221 1.279 4.946 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CG1 . . . . . . . . . c25522_2n0e 1 . 12 . 1729 . 1 1 6 VAL CG2 C -2.249 1.697 2.700 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CG2 . . . . . . . . . c25522_2n0e 1 . 12 . 1730 . 1 1 6 VAL H H 0.106 0.221 2.814 . . . 1.0 . . . . . . . . . . . . A . 6 VAL H . . . . . . . . . c25522_2n0e 1 . 12 . 1731 . 1 1 6 VAL HA H -1.692 -1.270 4.212 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HA . . . . . . . . . c25522_2n0e 1 . 12 . 1732 . 1 1 6 VAL HB H -3.076 0.662 4.306 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HB . . . . . . . . . c25522_2n0e 1 . 12 . 1733 . 1 1 6 VAL HG11 H -0.295 1.339 4.572 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG11 . . . . . . . . . c25522_2n0e 1 . 12 . 1734 . 1 1 6 VAL HG12 H -1.528 2.189 5.225 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG12 . . . . . . . . . c25522_2n0e 1 . 12 . 1735 . 1 1 6 VAL HG13 H -1.221 0.670 5.739 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG13 . . . . . . . . . c25522_2n0e 1 . 12 . 1736 . 1 1 6 VAL HG21 H -2.917 1.357 2.038 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG21 . . . . . . . . . c25522_2n0e 1 . 12 . 1737 . 1 1 6 VAL HG22 H -2.530 2.600 3.023 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG22 . . . . . . . . . c25522_2n0e 1 . 12 . 1738 . 1 1 6 VAL HG23 H -1.352 1.764 2.263 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG23 . . . . . . . . . c25522_2n0e 1 . 12 . 1739 . 1 1 6 VAL N N -0.422 -0.628 2.800 . . . 1.0 . . . . . . . . . . . . A . 6 VAL N . . . . . . . . . c25522_2n0e 1 . 12 . 1740 . 1 1 6 VAL O O -3.771 -1.820 2.893 . . . 1.0 . . . . . . . . . . . . A . 6 VAL O . . . . . . . . . c25522_2n0e 1 . 12 . 1741 . 1 1 7 GLY C C -2.860 -2.432 -0.814 . . . 1.0 . . . . . . . . . . . . A . 7 GLY C . . . . . . . . . c25522_2n0e 1 . 12 . 1742 . 1 1 7 GLY CA C -3.509 -1.486 0.176 . . . 1.0 . . . . . . . . . . . . A . 7 GLY CA . . . . . . . . . c25522_2n0e 1 . 12 . 1743 . 1 1 7 GLY H H -1.757 -0.500 0.884 . . . 1.0 . . . . . . . . . . . . A . 7 GLY H . . . . . . . . . c25522_2n0e 1 . 12 . 1744 . 1 1 7 GLY HA2 H -4.252 -1.968 0.641 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA2 . . . . . . . . . c25522_2n0e 1 . 12 . 1745 . 1 1 7 GLY HA3 H -3.880 -0.703 -0.324 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA3 . . . . . . . . . c25522_2n0e 1 . 12 . 1746 . 1 1 7 GLY N N -2.573 -1.000 1.174 . . . 1.0 . . . . . . . . . . . . A . 7 GLY N . . . . . . . . . c25522_2n0e 1 . 12 . 1747 . 1 1 7 GLY O O -3.509 -3.344 -1.328 . . . 1.0 . . . . . . . . . . . . A . 7 GLY O . . . . . . . . . c25522_2n0e 1 . 12 . 1748 . 1 1 8 HIS C C -0.466 -4.387 -1.379 . . . 1.0 . . . . . . . . . . . . A . 8 HIS C . . . . . . . . . c25522_2n0e 1 . 12 . 1749 . 1 1 8 HIS CA C -0.841 -3.056 -2.023 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CA . . . . . . . . . c25522_2n0e 1 . 12 . 1750 . 1 1 8 HIS CB C 0.417 -2.335 -2.505 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CB . . . . . . . . . c25522_2n0e 1 . 12 . 1751 . 1 1 8 HIS CD2 C -0.585 -1.578 -4.778 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CD2 . . . . . . . . . c25522_2n0e 1 . 12 . 1752 . 1 1 8 HIS CE1 C 1.208 -1.857 -6.003 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CE1 . . . . . . . . . c25522_2n0e 1 . 12 . 1753 . 1 1 8 HIS CG C 0.419 -2.036 -3.979 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CG . . . . . . . . . c25522_2n0e 1 . 12 . 1754 . 1 1 8 HIS H H -1.106 -1.456 -0.637 . . . 1.0 . . . . . . . . . . . . A . 8 HIS H . . . . . . . . . c25522_2n0e 1 . 12 . 1755 . 1 1 8 HIS HA H -1.436 -3.246 -2.804 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HA . . . . . . . . . c25522_2n0e 1 . 12 . 1756 . 1 1 8 HIS HB2 H 0.496 -1.470 -2.009 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HB2 . . . . . . . . . c25522_2n0e 1 . 12 . 1757 . 1 1 8 HIS HB3 H 1.209 -2.910 -2.300 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HB3 . . . . . . . . . c25522_2n0e 1 . 12 . 1758 . 1 1 8 HIS HD2 H -1.519 -1.361 -4.494 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HD2 . . . . . . . . . c25522_2n0e 1 . 12 . 1759 . 1 1 8 HIS HE1 H 1.826 -1.879 -6.789 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HE1 . . . . . . . . . c25522_2n0e 1 . 12 . 1760 . 1 1 8 HIS HE2 H -0.541 -1.163 -6.884 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HE2 . . . . . . . . . c25522_2n0e 1 . 12 . 1761 . 1 1 8 HIS N N -1.578 -2.215 -1.086 . . . 1.0 . . . . . . . . . . . . A . 8 HIS N . . . . . . . . . c25522_2n0e 1 . 12 . 1762 . 1 1 8 HIS ND1 N 1.543 -2.206 -4.770 . . . 1.0 . . . . . . . . . . . . A . 8 HIS ND1 . . . . . . . . . c25522_2n0e 1 . 12 . 1763 . 1 1 8 HIS NE2 N -0.069 -1.470 -6.057 . . . 1.0 . . . . . . . . . . . . A . 8 HIS NE2 . . . . . . . . . c25522_2n0e 1 . 12 . 1764 . 1 1 8 HIS O O -0.176 -5.364 -2.071 . . . 1.0 . . . . . . . . . . . . A . 8 HIS O . . . . . . . . . c25522_2n0e 1 . 12 . 1765 . 1 1 9 LEU C C -1.280 -6.054 1.597 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . c25522_2n0e 1 . 12 . 1766 . 1 1 9 LEU CA C -0.132 -5.630 0.687 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . c25522_2n0e 1 . 12 . 1767 . 1 1 9 LEU CB C 1.134 -5.409 1.515 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . c25522_2n0e 1 . 12 . 1768 . 1 1 9 LEU CD1 C 3.633 -5.329 1.707 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . c25522_2n0e 1 . 12 . 1769 . 1 1 9 LEU CD2 C 2.546 -7.062 0.267 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . c25522_2n0e 1 . 12 . 1770 . 1 1 9 LEU CG C 2.460 -5.634 0.788 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . c25522_2n0e 1 . 12 . 1771 . 1 1 9 LEU H H -0.718 -3.592 0.455 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . c25522_2n0e 1 . 12 . 1772 . 1 1 9 LEU HA H 0.031 -6.363 0.027 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . c25522_2n0e 1 . 12 . 1773 . 1 1 9 LEU HB2 H 1.123 -4.465 1.845 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . c25522_2n0e 1 . 12 . 1774 . 1 1 9 LEU HB3 H 1.103 -6.035 2.294 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . c25522_2n0e 1 . 12 . 1775 . 1 1 9 LEU HD11 H 3.585 -4.375 2.004 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . c25522_2n0e 1 . 12 . 1776 . 1 1 9 LEU HD12 H 3.596 -5.930 2.506 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . c25522_2n0e 1 . 12 . 1777 . 1 1 9 LEU HD13 H 4.490 -5.482 1.215 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . c25522_2n0e 1 . 12 . 1778 . 1 1 9 LEU HD21 H 1.788 -7.224 -0.365 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . c25522_2n0e 1 . 12 . 1779 . 1 1 9 LEU HD22 H 3.414 -7.208 -0.208 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . c25522_2n0e 1 . 12 . 1780 . 1 1 9 LEU HD23 H 2.478 -7.695 1.038 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . c25522_2n0e 1 . 12 . 1781 . 1 1 9 LEU HG H 2.502 -5.032 -0.010 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . c25522_2n0e 1 . 12 . 1782 . 1 1 9 LEU N N -0.473 -4.419 -0.051 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . c25522_2n0e 1 . 12 . 1783 . 1 1 9 LEU O O -1.960 -7.047 1.335 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . c25522_2n0e 1 . 12 . 1784 . 1 1 10 MET C C -3.787 -4.726 3.337 . . . 1.0 . . . . . . . . . . . . A . 10 MET C . . . . . . . . . c25522_2n0e 1 . 12 . 1785 . 1 1 10 MET CA C -2.561 -5.590 3.615 . . . 1.0 . . . . . . . . . . . . A . 10 MET CA . . . . . . . . . c25522_2n0e 1 . 12 . 1786 . 1 1 10 MET CB C -2.078 -5.365 5.048 . . . 1.0 . . . . . . . . . . . . A . 10 MET CB . . . . . . . . . c25522_2n0e 1 . 12 . 1787 . 1 1 10 MET CE C 0.730 -3.259 5.765 . . . 1.0 . . . . . . . . . . . . A . 10 MET CE . . . . . . . . . c25522_2n0e 1 . 12 . 1788 . 1 1 10 MET CG C -1.945 -3.897 5.421 . . . 1.0 . . . . . . . . . . . . A . 10 MET CG . . . . . . . . . c25522_2n0e 1 . 12 . 1789 . 1 1 10 MET H H -0.904 -4.502 2.826 . . . 1.0 . . . . . . . . . . . . A . 10 MET H . . . . . . . . . c25522_2n0e 1 . 12 . 1790 . 1 1 10 MET HA H -2.826 -6.546 3.490 . . . 1.0 . . . . . . . . . . . . A . 10 MET HA . . . . . . . . . c25522_2n0e 1 . 12 . 1791 . 1 1 10 MET HB2 H -2.731 -5.792 5.673 . . . 1.0 . . . . . . . . . . . . A . 10 MET HB2 . . . . . . . . . c25522_2n0e 1 . 12 . 1792 . 1 1 10 MET HB3 H -1.184 -5.800 5.153 . . . 1.0 . . . . . . . . . . . . A . 10 MET HB3 . . . . . . . . . c25522_2n0e 1 . 12 . 1793 . 1 1 10 MET HE1 H 0.939 -4.043 5.180 . . . 1.0 . . . . . . . . . . . . A . 10 MET HE1 . . . . . . . . . c25522_2n0e 1 . 12 . 1794 . 1 1 10 MET HE2 H 0.558 -2.455 5.196 . . . 1.0 . . . . . . . . . . . . A . 10 MET HE2 . . . . . . . . . c25522_2n0e 1 . 12 . 1795 . 1 1 10 MET HE3 H 1.505 -3.079 6.371 . . . 1.0 . . . . . . . . . . . . A . 10 MET HE3 . . . . . . . . . c25522_2n0e 1 . 12 . 1796 . 1 1 10 MET HG2 H -1.665 -3.389 4.606 . . . 1.0 . . . . . . . . . . . . A . 10 MET HG2 . . . . . . . . . c25522_2n0e 1 . 12 . 1797 . 1 1 10 MET HG3 H -2.838 -3.568 5.728 . . . 1.0 . . . . . . . . . . . . A . 10 MET HG3 . . . . . . . . . c25522_2n0e 1 . 12 . 1798 . 1 1 10 MET N N -1.492 -5.295 2.667 . . . 1.0 . . . . . . . . . . . . A . 10 MET N . . . . . . . . . c25522_2n0e 1 . 12 . 1799 . 1 1 10 MET O O -4.876 -5.240 3.076 . . . 1.0 . . . . . . . . . . . . A . 10 MET O . . . . . . . . . c25522_2n0e 1 . 12 . 1800 . 1 1 10 MET SD S -0.735 -3.620 6.730 . . . 1.0 . . . . . . . . . . . . A . 10 MET SD . . . . . . . . . c25522_2n0e 1 . 13 . 1801 . 1 1 1 GLY C C -0.449 9.627 3.703 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c25522_2n0e 1 . 13 . 1802 . 1 1 1 GLY CA C -0.678 10.943 2.986 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c25522_2n0e 1 . 13 . 1803 . 1 1 1 GLY H1 H 1.263 11.469 2.809 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c25522_2n0e 1 . 13 . 1804 . 1 1 1 GLY H2 H 0.225 12.722 2.678 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H2 . . . . . . . . . c25522_2n0e 1 . 13 . 1805 . 1 1 1 GLY H3 H 0.536 12.068 4.142 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H3 . . . . . . . . . c25522_2n0e 1 . 13 . 1806 . 1 1 1 GLY HA2 H -1.514 11.361 3.342 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c25522_2n0e 1 . 13 . 1807 . 1 1 1 GLY HA3 H -0.786 10.761 2.009 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c25522_2n0e 1 . 13 . 1808 . 1 1 1 GLY N N 0.422 11.873 3.168 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c25522_2n0e 1 . 13 . 1809 . 1 1 1 GLY O O 0.255 9.577 4.712 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c25522_2n0e 1 . 13 . 1810 . 1 1 2 ASN C C 0.180 6.431 3.070 . . . 1.0 . . . . . . . . . . . . A . 2 ASN C . . . . . . . . . c25522_2n0e 1 . 13 . 1811 . 1 1 2 ASN CA C -0.903 7.238 3.781 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CA . . . . . . . . . c25522_2n0e 1 . 13 . 1812 . 1 1 2 ASN CB C -2.234 6.485 3.726 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CB . . . . . . . . . c25522_2n0e 1 . 13 . 1813 . 1 1 2 ASN CG C -3.093 6.741 4.949 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CG . . . . . . . . . c25522_2n0e 1 . 13 . 1814 . 1 1 2 ASN H H -1.602 8.666 2.359 . . . 1.0 . . . . . . . . . . . . A . 2 ASN H . . . . . . . . . c25522_2n0e 1 . 13 . 1815 . 1 1 2 ASN HA H -0.590 7.378 4.720 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HA . . . . . . . . . c25522_2n0e 1 . 13 . 1816 . 1 1 2 ASN HB2 H -2.736 6.780 2.913 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HB2 . . . . . . . . . c25522_2n0e 1 . 13 . 1817 . 1 1 2 ASN HB3 H -2.046 5.505 3.664 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HB3 . . . . . . . . . c25522_2n0e 1 . 13 . 1818 . 1 1 2 ASN HD21 H -1.661 5.989 6.163 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HD21 . . . . . . . . . c25522_2n0e 1 . 13 . 1819 . 1 1 2 ASN HD22 H -3.096 6.540 6.961 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HD22 . . . . . . . . . c25522_2n0e 1 . 13 . 1820 . 1 1 2 ASN N N -1.044 8.560 3.182 . . . 1.0 . . . . . . . . . . . . A . 2 ASN N . . . . . . . . . c25522_2n0e 1 . 13 . 1821 . 1 1 2 ASN ND2 N -2.574 6.395 6.121 . . . 1.0 . . . . . . . . . . . . A . 2 ASN ND2 . . . . . . . . . c25522_2n0e 1 . 13 . 1822 . 1 1 2 ASN O O 0.801 6.907 2.120 . . . 1.0 . . . . . . . . . . . . A . 2 ASN O . . . . . . . . . c25522_2n0e 1 . 13 . 1823 . 1 1 2 ASN OD1 O -4.212 7.244 4.841 . . . 1.0 . . . . . . . . . . . . A . 2 ASN OD1 . . . . . . . . . c25522_2n0e 1 . 13 . 1824 . 1 1 3 HIS C C 0.857 3.629 1.708 . . . 1.0 . . . . . . . . . . . . A . 3 HIS C . . . . . . . . . c25522_2n0e 1 . 13 . 1825 . 1 1 3 HIS CA C 1.407 4.333 2.946 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CA . . . . . . . . . c25522_2n0e 1 . 13 . 1826 . 1 1 3 HIS CB C 1.878 3.294 3.966 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CB . . . . . . . . . c25522_2n0e 1 . 13 . 1827 . 1 1 3 HIS CD2 C 4.230 2.288 3.519 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CD2 . . . . . . . . . c25522_2n0e 1 . 13 . 1828 . 1 1 3 HIS CE1 C 5.397 3.717 4.697 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CE1 . . . . . . . . . c25522_2n0e 1 . 13 . 1829 . 1 1 3 HIS CG C 3.375 3.193 4.073 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CG . . . . . . . . . c25522_2n0e 1 . 13 . 1830 . 1 1 3 HIS H H -0.138 4.876 4.314 . . . 1.0 . . . . . . . . . . . . A . 3 HIS H . . . . . . . . . c25522_2n0e 1 . 13 . 1831 . 1 1 3 HIS HA H 2.181 4.899 2.662 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HA . . . . . . . . . c25522_2n0e 1 . 13 . 1832 . 1 1 3 HIS HB2 H 1.514 3.542 4.864 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HB2 . . . . . . . . . c25522_2n0e 1 . 13 . 1833 . 1 1 3 HIS HB3 H 1.520 2.400 3.697 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HB3 . . . . . . . . . c25522_2n0e 1 . 13 . 1834 . 1 1 3 HIS HD2 H 3.983 1.518 2.931 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HD2 . . . . . . . . . c25522_2n0e 1 . 13 . 1835 . 1 1 3 HIS HE1 H 6.168 4.184 5.129 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HE1 . . . . . . . . . c25522_2n0e 1 . 13 . 1836 . 1 1 3 HIS HE2 H 6.368 2.181 3.698 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HE2 . . . . . . . . . c25522_2n0e 1 . 13 . 1837 . 1 1 3 HIS N N 0.400 5.206 3.538 . . . 1.0 . . . . . . . . . . . . A . 3 HIS N . . . . . . . . . c25522_2n0e 1 . 13 . 1838 . 1 1 3 HIS ND1 N 4.130 4.088 4.814 . . . 1.0 . . . . . . . . . . . . A . 3 HIS ND1 . . . . . . . . . c25522_2n0e 1 . 13 . 1839 . 1 1 3 HIS NE2 N 5.507 2.636 3.925 . . . 1.0 . . . . . . . . . . . . A . 3 HIS NE2 . . . . . . . . . c25522_2n0e 1 . 13 . 1840 . 1 1 3 HIS O O -0.224 3.963 1.223 . . . 1.0 . . . . . . . . . . . . A . 3 HIS O . . . . . . . . . c25522_2n0e 1 . 13 . 1841 . 1 1 4 TRP C C 0.845 0.472 0.381 . . . 1.0 . . . . . . . . . . . . A . 4 TRP C . . . . . . . . . c25522_2n0e 1 . 13 . 1842 . 1 1 4 TRP CA C 1.197 1.911 0.020 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CA . . . . . . . . . c25522_2n0e 1 . 13 . 1843 . 1 1 4 TRP CB C 2.306 1.928 -1.033 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CB . . . . . . . . . c25522_2n0e 1 . 13 . 1844 . 1 1 4 TRP CD1 C 4.561 2.275 0.134 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CD1 . . . . . . . . . c25522_2n0e 1 . 13 . 1845 . 1 1 4 TRP CD2 C 4.195 0.177 -0.558 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CD2 . . . . . . . . . c25522_2n0e 1 . 13 . 1846 . 1 1 4 TRP CE2 C 5.459 0.232 0.062 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CE2 . . . . . . . . . c25522_2n0e 1 . 13 . 1847 . 1 1 4 TRP CE3 C 3.749 -1.044 -1.072 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CE3 . . . . . . . . . c25522_2n0e 1 . 13 . 1848 . 1 1 4 TRP CG C 3.638 1.494 -0.501 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CG . . . . . . . . . c25522_2n0e 1 . 13 . 1849 . 1 1 4 TRP CH2 C 5.818 -2.069 -0.332 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CH2 . . . . . . . . . c25522_2n0e 1 . 13 . 1850 . 1 1 4 TRP CZ2 C 6.279 -0.888 0.180 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CZ2 . . . . . . . . . c25522_2n0e 1 . 13 . 1851 . 1 1 4 TRP CZ3 C 4.565 -2.154 -0.954 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CZ3 . . . . . . . . . c25522_2n0e 1 . 13 . 1852 . 1 1 4 TRP H H 2.479 2.436 1.642 . . . 1.0 . . . . . . . . . . . . A . 4 TRP H . . . . . . . . . c25522_2n0e 1 . 13 . 1853 . 1 1 4 TRP HA H 0.366 2.342 -0.331 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HA . . . . . . . . . c25522_2n0e 1 . 13 . 1854 . 1 1 4 TRP HB2 H 2.048 1.312 -1.778 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HB2 . . . . . . . . . c25522_2n0e 1 . 13 . 1855 . 1 1 4 TRP HB3 H 2.396 2.859 -1.387 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HB3 . . . . . . . . . c25522_2n0e 1 . 13 . 1856 . 1 1 4 TRP HD1 H 4.454 3.251 0.323 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HD1 . . . . . . . . . c25522_2n0e 1 . 13 . 1857 . 1 1 4 TRP HE1 H 6.473 1.859 0.948 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HE1 . . . . . . . . . c25522_2n0e 1 . 13 . 1858 . 1 1 4 TRP HE3 H 2.856 -1.115 -1.517 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HE3 . . . . . . . . . c25522_2n0e 1 . 13 . 1859 . 1 1 4 TRP HH2 H 6.384 -2.890 -0.263 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HH2 . . . . . . . . . c25522_2n0e 1 . 13 . 1860 . 1 1 4 TRP HZ2 H 7.173 -0.826 0.624 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HZ2 . . . . . . . . . c25522_2n0e 1 . 13 . 1861 . 1 1 4 TRP HZ3 H 4.255 -3.032 -1.319 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HZ3 . . . . . . . . . c25522_2n0e 1 . 13 . 1862 . 1 1 4 TRP N N 1.609 2.659 1.202 . . . 1.0 . . . . . . . . . . . . A . 4 TRP N . . . . . . . . . c25522_2n0e 1 . 13 . 1863 . 1 1 4 TRP NE1 N 5.659 1.522 0.475 . . . 1.0 . . . . . . . . . . . . A . 4 TRP NE1 . . . . . . . . . c25522_2n0e 1 . 13 . 1864 . 1 1 4 TRP O O -0.179 -0.054 -0.052 . . . 1.0 . . . . . . . . . . . . A . 4 TRP O . . . . . . . . . c25522_2n0e 1 . 13 . 1865 . 1 1 5 ALA C C 0.093 -1.707 2.213 . . . 1.0 . . . . . . . . . . . . A . 5 ALA C . . . . . . . . . c25522_2n0e 1 . 13 . 1866 . 1 1 5 ALA CA C 1.479 -1.537 1.600 . . . 1.0 . . . . . . . . . . . . A . 5 ALA CA . . . . . . . . . c25522_2n0e 1 . 13 . 1867 . 1 1 5 ALA CB C 2.553 -1.965 2.590 . . . 1.0 . . . . . . . . . . . . A . 5 ALA CB . . . . . . . . . c25522_2n0e 1 . 13 . 1868 . 1 1 5 ALA H H 2.519 0.323 1.496 . . . 1.0 . . . . . . . . . . . . A . 5 ALA H . . . . . . . . . c25522_2n0e 1 . 13 . 1869 . 1 1 5 ALA HA H 1.541 -2.127 0.795 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HA . . . . . . . . . c25522_2n0e 1 . 13 . 1870 . 1 1 5 ALA HB1 H 2.523 -1.367 3.391 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB1 . . . . . . . . . c25522_2n0e 1 . 13 . 1871 . 1 1 5 ALA HB2 H 2.393 -2.910 2.874 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB2 . . . . . . . . . c25522_2n0e 1 . 13 . 1872 . 1 1 5 ALA HB3 H 3.451 -1.895 2.155 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB3 . . . . . . . . . c25522_2n0e 1 . 13 . 1873 . 1 1 5 ALA N N 1.702 -0.159 1.178 . . . 1.0 . . . . . . . . . . . . A . 5 ALA N . . . . . . . . . c25522_2n0e 1 . 13 . 1874 . 1 1 5 ALA O O -0.494 -2.787 2.154 . . . 1.0 . . . . . . . . . . . . A . 5 ALA O . . . . . . . . . c25522_2n0e 1 . 13 . 1875 . 1 1 6 VAL C C -2.789 -1.218 2.468 . . . 1.0 . . . . . . . . . . . . A . 6 VAL C . . . . . . . . . c25522_2n0e 1 . 13 . 1876 . 1 1 6 VAL CA C -1.743 -0.663 3.426 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CA . . . . . . . . . c25522_2n0e 1 . 13 . 1877 . 1 1 6 VAL CB C -2.174 0.739 3.888 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CB . . . . . . . . . c25522_2n0e 1 . 13 . 1878 . 1 1 6 VAL CG1 C -1.222 1.271 4.948 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CG1 . . . . . . . . . c25522_2n0e 1 . 13 . 1879 . 1 1 6 VAL CG2 C -2.252 1.691 2.704 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CG2 . . . . . . . . . c25522_2n0e 1 . 13 . 1880 . 1 1 6 VAL H H 0.103 0.216 2.816 . . . 1.0 . . . . . . . . . . . . A . 6 VAL H . . . . . . . . . c25522_2n0e 1 . 13 . 1881 . 1 1 6 VAL HA H -1.693 -1.278 4.213 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HA . . . . . . . . . c25522_2n0e 1 . 13 . 1882 . 1 1 6 VAL HB H -3.077 0.656 4.309 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HB . . . . . . . . . c25522_2n0e 1 . 13 . 1883 . 1 1 6 VAL HG11 H -0.297 1.331 4.574 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG11 . . . . . . . . . c25522_2n0e 1 . 13 . 1884 . 1 1 6 VAL HG12 H -1.528 2.181 5.227 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG12 . . . . . . . . . c25522_2n0e 1 . 13 . 1885 . 1 1 6 VAL HG13 H -1.222 0.662 5.741 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG13 . . . . . . . . . c25522_2n0e 1 . 13 . 1886 . 1 1 6 VAL HG21 H -2.920 1.351 2.043 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG21 . . . . . . . . . c25522_2n0e 1 . 13 . 1887 . 1 1 6 VAL HG22 H -2.533 2.594 3.028 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG22 . . . . . . . . . c25522_2n0e 1 . 13 . 1888 . 1 1 6 VAL HG23 H -1.355 1.758 2.267 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG23 . . . . . . . . . c25522_2n0e 1 . 13 . 1889 . 1 1 6 VAL N N -0.424 -0.633 2.801 . . . 1.0 . . . . . . . . . . . . A . 6 VAL N . . . . . . . . . c25522_2n0e 1 . 13 . 1890 . 1 1 6 VAL O O -3.772 -1.827 2.891 . . . 1.0 . . . . . . . . . . . . A . 6 VAL O . . . . . . . . . c25522_2n0e 1 . 13 . 1891 . 1 1 7 GLY C C -2.861 -2.431 -0.817 . . . 1.0 . . . . . . . . . . . . A . 7 GLY C . . . . . . . . . c25522_2n0e 1 . 13 . 1892 . 1 1 7 GLY CA C -3.510 -1.488 0.176 . . . 1.0 . . . . . . . . . . . . A . 7 GLY CA . . . . . . . . . c25522_2n0e 1 . 13 . 1893 . 1 1 7 GLY H H -1.760 -0.501 0.883 . . . 1.0 . . . . . . . . . . . . A . 7 GLY H . . . . . . . . . c25522_2n0e 1 . 13 . 1894 . 1 1 7 GLY HA2 H -4.252 -1.972 0.640 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA2 . . . . . . . . . c25522_2n0e 1 . 13 . 1895 . 1 1 7 GLY HA3 H -3.883 -0.705 -0.322 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA3 . . . . . . . . . c25522_2n0e 1 . 13 . 1896 . 1 1 7 GLY N N -2.575 -1.003 1.173 . . . 1.0 . . . . . . . . . . . . A . 7 GLY N . . . . . . . . . c25522_2n0e 1 . 13 . 1897 . 1 1 7 GLY O O -3.509 -3.341 -1.336 . . . 1.0 . . . . . . . . . . . . A . 7 GLY O . . . . . . . . . c25522_2n0e 1 . 13 . 1898 . 1 1 8 HIS C C -0.464 -4.387 -1.381 . . . 1.0 . . . . . . . . . . . . A . 8 HIS C . . . . . . . . . c25522_2n0e 1 . 13 . 1899 . 1 1 8 HIS CA C -0.839 -3.054 -2.022 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CA . . . . . . . . . c25522_2n0e 1 . 13 . 1900 . 1 1 8 HIS CB C 0.419 -2.332 -2.502 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CB . . . . . . . . . c25522_2n0e 1 . 13 . 1901 . 1 1 8 HIS CD2 C -0.574 -1.554 -4.772 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CD2 . . . . . . . . . c25522_2n0e 1 . 13 . 1902 . 1 1 8 HIS CE1 C 1.211 -1.864 -6.002 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CE1 . . . . . . . . . c25522_2n0e 1 . 13 . 1903 . 1 1 8 HIS CG C 0.424 -2.031 -3.976 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CG . . . . . . . . . c25522_2n0e 1 . 13 . 1904 . 1 1 8 HIS H H -1.105 -1.460 -0.630 . . . 1.0 . . . . . . . . . . . . A . 8 HIS H . . . . . . . . . c25522_2n0e 1 . 13 . 1905 . 1 1 8 HIS HA H -1.433 -3.243 -2.804 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HA . . . . . . . . . c25522_2n0e 1 . 13 . 1906 . 1 1 8 HIS HB2 H 0.497 -1.468 -2.005 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HB2 . . . . . . . . . c25522_2n0e 1 . 13 . 1907 . 1 1 8 HIS HB3 H 1.211 -2.906 -2.297 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HB3 . . . . . . . . . c25522_2n0e 1 . 13 . 1908 . 1 1 8 HIS HD2 H -1.503 -1.320 -4.486 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HD2 . . . . . . . . . c25522_2n0e 1 . 13 . 1909 . 1 1 8 HIS HE1 H 1.827 -1.897 -6.789 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HE1 . . . . . . . . . c25522_2n0e 1 . 13 . 1910 . 1 1 8 HIS HE2 H -0.525 -1.137 -6.877 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HE2 . . . . . . . . . c25522_2n0e 1 . 13 . 1911 . 1 1 8 HIS N N -1.577 -2.216 -1.084 . . . 1.0 . . . . . . . . . . . . A . 8 HIS N . . . . . . . . . c25522_2n0e 1 . 13 . 1912 . 1 1 8 HIS ND1 N 1.542 -2.221 -4.770 . . . 1.0 . . . . . . . . . . . . A . 8 HIS ND1 . . . . . . . . . c25522_2n0e 1 . 13 . 1913 . 1 1 8 HIS NE2 N -0.058 -1.454 -6.052 . . . 1.0 . . . . . . . . . . . . A . 8 HIS NE2 . . . . . . . . . c25522_2n0e 1 . 13 . 1914 . 1 1 8 HIS O O -0.171 -5.362 -2.076 . . . 1.0 . . . . . . . . . . . . A . 8 HIS O . . . . . . . . . c25522_2n0e 1 . 13 . 1915 . 1 1 9 LEU C C -1.284 -6.063 1.589 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . c25522_2n0e 1 . 13 . 1916 . 1 1 9 LEU CA C -0.135 -5.637 0.682 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . c25522_2n0e 1 . 13 . 1917 . 1 1 9 LEU CB C 1.131 -5.416 1.512 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . c25522_2n0e 1 . 13 . 1918 . 1 1 9 LEU CD1 C 3.629 -5.336 1.706 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . c25522_2n0e 1 . 13 . 1919 . 1 1 9 LEU CD2 C 2.545 -7.063 0.259 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . c25522_2n0e 1 . 13 . 1920 . 1 1 9 LEU CG C 2.457 -5.638 0.785 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . c25522_2n0e 1 . 13 . 1921 . 1 1 9 LEU H H -0.720 -3.598 0.454 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . c25522_2n0e 1 . 13 . 1922 . 1 1 9 LEU HA H 0.028 -6.369 0.020 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . c25522_2n0e 1 . 13 . 1923 . 1 1 9 LEU HB2 H 1.119 -4.473 1.844 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . c25522_2n0e 1 . 13 . 1924 . 1 1 9 LEU HB3 H 1.101 -6.043 2.290 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . c25522_2n0e 1 . 13 . 1925 . 1 1 9 LEU HD11 H 3.580 -4.384 2.007 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . c25522_2n0e 1 . 13 . 1926 . 1 1 9 LEU HD12 H 3.592 -5.939 2.503 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . c25522_2n0e 1 . 13 . 1927 . 1 1 9 LEU HD13 H 4.486 -5.487 1.214 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . c25522_2n0e 1 . 13 . 1928 . 1 1 9 LEU HD21 H 1.788 -7.224 -0.374 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . c25522_2n0e 1 . 13 . 1929 . 1 1 9 LEU HD22 H 3.413 -7.206 -0.216 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . c25522_2n0e 1 . 13 . 1930 . 1 1 9 LEU HD23 H 2.477 -7.699 1.028 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . c25522_2n0e 1 . 13 . 1931 . 1 1 9 LEU HG H 2.500 -5.033 -0.010 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . c25522_2n0e 1 . 13 . 1932 . 1 1 9 LEU N N -0.474 -4.423 -0.054 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . c25522_2n0e 1 . 13 . 1933 . 1 1 9 LEU O O -1.952 -7.063 1.333 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . c25522_2n0e 1 . 13 . 1934 . 1 1 10 MET C C -3.708 -4.571 3.475 . . . 1.0 . . . . . . . . . . . . A . 10 MET C . . . . . . . . . c25522_2n0e 1 . 13 . 1935 . 1 1 10 MET CA C -2.580 -5.591 3.594 . . . 1.0 . . . . . . . . . . . . A . 10 MET CA . . . . . . . . . c25522_2n0e 1 . 13 . 1936 . 1 1 10 MET CB C -2.039 -5.605 5.025 . . . 1.0 . . . . . . . . . . . . A . 10 MET CB . . . . . . . . . c25522_2n0e 1 . 13 . 1937 . 1 1 10 MET CE C 0.798 -2.676 5.912 . . . 1.0 . . . . . . . . . . . . A . 10 MET CE . . . . . . . . . c25522_2n0e 1 . 13 . 1938 . 1 1 10 MET CG C -1.406 -4.289 5.449 . . . 1.0 . . . . . . . . . . . . A . 10 MET CG . . . . . . . . . c25522_2n0e 1 . 13 . 1939 . 1 1 10 MET H H -0.930 -4.494 2.806 . . . 1.0 . . . . . . . . . . . . A . 10 MET H . . . . . . . . . c25522_2n0e 1 . 13 . 1940 . 1 1 10 MET HA H -2.954 -6.488 3.360 . . . 1.0 . . . . . . . . . . . . A . 10 MET HA . . . . . . . . . c25522_2n0e 1 . 13 . 1941 . 1 1 10 MET HB2 H -2.795 -5.807 5.648 . . . 1.0 . . . . . . . . . . . . A . 10 MET HB2 . . . . . . . . . c25522_2n0e 1 . 13 . 1942 . 1 1 10 MET HB3 H -1.348 -6.325 5.096 . . . 1.0 . . . . . . . . . . . . A . 10 MET HB3 . . . . . . . . . c25522_2n0e 1 . 13 . 1943 . 1 1 10 MET HE1 H 0.315 -1.959 5.409 . . . 1.0 . . . . . . . . . . . . A . 10 MET HE1 . . . . . . . . . c25522_2n0e 1 . 13 . 1944 . 1 1 10 MET HE2 H 0.518 -2.656 6.872 . . . 1.0 . . . . . . . . . . . . A . 10 MET HE2 . . . . . . . . . c25522_2n0e 1 . 13 . 1945 . 1 1 10 MET HE3 H 1.784 -2.521 5.849 . . . 1.0 . . . . . . . . . . . . A . 10 MET HE3 . . . . . . . . . c25522_2n0e 1 . 13 . 1946 . 1 1 10 MET HG2 H -1.815 -3.554 4.907 . . . 1.0 . . . . . . . . . . . . A . 10 MET HG2 . . . . . . . . . c25522_2n0e 1 . 13 . 1947 . 1 1 10 MET HG3 H -1.607 -4.141 6.417 . . . 1.0 . . . . . . . . . . . . A . 10 MET HG3 . . . . . . . . . c25522_2n0e 1 . 13 . 1948 . 1 1 10 MET N N -1.509 -5.294 2.651 . . . 1.0 . . . . . . . . . . . . A . 10 MET N . . . . . . . . . c25522_2n0e 1 . 13 . 1949 . 1 1 10 MET O O -4.884 -4.932 3.425 . . . 1.0 . . . . . . . . . . . . A . 10 MET O . . . . . . . . . c25522_2n0e 1 . 13 . 1950 . 1 1 10 MET SD S 0.381 -4.269 5.211 . . . 1.0 . . . . . . . . . . . . A . 10 MET SD . . . . . . . . . c25522_2n0e 1 . 14 . 1951 . 1 1 1 GLY C C -0.591 9.639 3.818 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c25522_2n0e 1 . 14 . 1952 . 1 1 1 GLY CA C -0.801 10.958 3.098 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c25522_2n0e 1 . 14 . 1953 . 1 1 1 GLY H1 H 0.522 12.038 4.174 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c25522_2n0e 1 . 14 . 1954 . 1 1 1 GLY H2 H -0.598 12.943 3.403 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H2 . . . . . . . . . c25522_2n0e 1 . 14 . 1955 . 1 1 1 GLY H3 H -1.006 12.106 4.745 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H3 . . . . . . . . . c25522_2n0e 1 . 14 . 1956 . 1 1 1 GLY HA2 H -1.765 11.035 2.844 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c25522_2n0e 1 . 14 . 1957 . 1 1 1 GLY HA3 H -0.237 10.967 2.272 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c25522_2n0e 1 . 14 . 1958 . 1 1 1 GLY N N -0.443 12.100 3.919 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c25522_2n0e 1 . 14 . 1959 . 1 1 1 GLY O O -0.023 9.604 4.908 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c25522_2n0e 1 . 14 . 1960 . 1 1 2 ASN C C 0.174 6.426 3.084 . . . 1.0 . . . . . . . . . . . . A . 2 ASN C . . . . . . . . . c25522_2n0e 1 . 14 . 1961 . 1 1 2 ASN CA C -0.913 7.226 3.794 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CA . . . . . . . . . c25522_2n0e 1 . 14 . 1962 . 1 1 2 ASN CB C -2.243 6.475 3.726 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CB . . . . . . . . . c25522_2n0e 1 . 14 . 1963 . 1 1 2 ASN CG C -3.100 6.703 4.957 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CG . . . . . . . . . c25522_2n0e 1 . 14 . 1964 . 1 1 2 ASN H H -1.503 8.650 2.318 . . . 1.0 . . . . . . . . . . . . A . 2 ASN H . . . . . . . . . c25522_2n0e 1 . 14 . 1965 . 1 1 2 ASN HA H -0.606 7.358 4.737 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HA . . . . . . . . . c25522_2n0e 1 . 14 . 1966 . 1 1 2 ASN HB2 H -2.747 6.788 2.921 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HB2 . . . . . . . . . c25522_2n0e 1 . 14 . 1967 . 1 1 2 ASN HB3 H -2.055 5.496 3.642 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HB3 . . . . . . . . . c25522_2n0e 1 . 14 . 1968 . 1 1 2 ASN HD21 H -1.822 5.625 6.096 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HD21 . . . . . . . . . c25522_2n0e 1 . 14 . 1969 . 1 1 2 ASN HD22 H -3.195 6.270 6.931 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HD22 . . . . . . . . . c25522_2n0e 1 . 14 . 1970 . 1 1 2 ASN N N -1.051 8.554 3.205 . . . 1.0 . . . . . . . . . . . . A . 2 ASN N . . . . . . . . . c25522_2n0e 1 . 14 . 1971 . 1 1 2 ASN ND2 N -2.670 6.154 6.088 . . . 1.0 . . . . . . . . . . . . A . 2 ASN ND2 . . . . . . . . . c25522_2n0e 1 . 14 . 1972 . 1 1 2 ASN O O 0.800 6.910 2.140 . . . 1.0 . . . . . . . . . . . . A . 2 ASN O . . . . . . . . . c25522_2n0e 1 . 14 . 1973 . 1 1 2 ASN OD1 O -4.136 7.363 4.892 . . . 1.0 . . . . . . . . . . . . A . 2 ASN OD1 . . . . . . . . . c25522_2n0e 1 . 14 . 1974 . 1 1 3 HIS C C 0.856 3.627 1.711 . . . 1.0 . . . . . . . . . . . . A . 3 HIS C . . . . . . . . . c25522_2n0e 1 . 14 . 1975 . 1 1 3 HIS CA C 1.403 4.329 2.950 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CA . . . . . . . . . c25522_2n0e 1 . 14 . 1976 . 1 1 3 HIS CB C 1.878 3.291 3.969 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CB . . . . . . . . . c25522_2n0e 1 . 14 . 1977 . 1 1 3 HIS CD2 C 4.225 2.279 3.515 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CD2 . . . . . . . . . c25522_2n0e 1 . 14 . 1978 . 1 1 3 HIS CE1 C 5.400 3.713 4.680 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CE1 . . . . . . . . . c25522_2n0e 1 . 14 . 1979 . 1 1 3 HIS CG C 3.374 3.188 4.068 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CG . . . . . . . . . c25522_2n0e 1 . 14 . 1980 . 1 1 3 HIS H H -0.150 4.861 4.312 . . . 1.0 . . . . . . . . . . . . A . 3 HIS H . . . . . . . . . c25522_2n0e 1 . 14 . 1981 . 1 1 3 HIS HA H 2.175 4.898 2.668 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HA . . . . . . . . . c25522_2n0e 1 . 14 . 1982 . 1 1 3 HIS HB2 H 1.519 3.541 4.868 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HB2 . . . . . . . . . c25522_2n0e 1 . 14 . 1983 . 1 1 3 HIS HB3 H 1.517 2.397 3.703 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HB3 . . . . . . . . . c25522_2n0e 1 . 14 . 1984 . 1 1 3 HIS HD2 H 3.973 1.507 2.932 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HD2 . . . . . . . . . c25522_2n0e 1 . 14 . 1985 . 1 1 3 HIS HE1 H 6.174 4.181 5.106 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HE1 . . . . . . . . . c25522_2n0e 1 . 14 . 1986 . 1 1 3 HIS HE2 H 6.363 2.165 3.682 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HE2 . . . . . . . . . c25522_2n0e 1 . 14 . 1987 . 1 1 3 HIS N N 0.392 5.198 3.542 . . . 1.0 . . . . . . . . . . . . A . 3 HIS N . . . . . . . . . c25522_2n0e 1 . 14 . 1988 . 1 1 3 HIS ND1 N 4.134 4.086 4.800 . . . 1.0 . . . . . . . . . . . . A . 3 HIS ND1 . . . . . . . . . c25522_2n0e 1 . 14 . 1989 . 1 1 3 HIS NE2 N 5.505 2.625 3.912 . . . 1.0 . . . . . . . . . . . . A . 3 HIS NE2 . . . . . . . . . c25522_2n0e 1 . 14 . 1990 . 1 1 3 HIS O O -0.227 3.955 1.226 . . . 1.0 . . . . . . . . . . . . A . 3 HIS O . . . . . . . . . c25522_2n0e 1 . 14 . 1991 . 1 1 4 TRP C C 0.851 0.474 0.379 . . . 1.0 . . . . . . . . . . . . A . 4 TRP C . . . . . . . . . c25522_2n0e 1 . 14 . 1992 . 1 1 4 TRP CA C 1.204 1.913 0.019 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CA . . . . . . . . . c25522_2n0e 1 . 14 . 1993 . 1 1 4 TRP CB C 2.317 1.931 -1.030 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CB . . . . . . . . . c25522_2n0e 1 . 14 . 1994 . 1 1 4 TRP CD1 C 4.569 2.277 0.143 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CD1 . . . . . . . . . c25522_2n0e 1 . 14 . 1995 . 1 1 4 TRP CD2 C 4.203 0.177 -0.548 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CD2 . . . . . . . . . c25522_2n0e 1 . 14 . 1996 . 1 1 4 TRP CE2 C 5.465 0.232 0.076 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CE2 . . . . . . . . . c25522_2n0e 1 . 14 . 1997 . 1 1 4 TRP CE3 C 3.757 -1.043 -1.061 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CE3 . . . . . . . . . c25522_2n0e 1 . 14 . 1998 . 1 1 4 TRP CG C 3.647 1.496 -0.494 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CG . . . . . . . . . c25522_2n0e 1 . 14 . 1999 . 1 1 4 TRP CH2 C 5.823 -2.070 -0.314 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CH2 . . . . . . . . . c25522_2n0e 1 . 14 . 2000 . 1 1 4 TRP CZ2 C 6.283 -0.888 0.198 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CZ2 . . . . . . . . . c25522_2n0e 1 . 14 . 2001 . 1 1 4 TRP CZ3 C 4.571 -2.154 -0.940 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CZ3 . . . . . . . . . c25522_2n0e 1 . 14 . 2002 . 1 1 4 TRP H H 2.484 2.442 1.641 . . . 1.0 . . . . . . . . . . . . A . 4 TRP H . . . . . . . . . c25522_2n0e 1 . 14 . 2003 . 1 1 4 TRP HA H 0.374 2.344 -0.335 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HA . . . . . . . . . c25522_2n0e 1 . 14 . 2004 . 1 1 4 TRP HB2 H 2.062 1.316 -1.776 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HB2 . . . . . . . . . c25522_2n0e 1 . 14 . 2005 . 1 1 4 TRP HB3 H 2.409 2.862 -1.382 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HB3 . . . . . . . . . c25522_2n0e 1 . 14 . 2006 . 1 1 4 TRP HD1 H 4.463 3.253 0.331 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HD1 . . . . . . . . . c25522_2n0e 1 . 14 . 2007 . 1 1 4 TRP HE1 H 6.479 1.859 0.964 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HE1 . . . . . . . . . c25522_2n0e 1 . 14 . 2008 . 1 1 4 TRP HE3 H 2.865 -1.113 -1.508 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HE3 . . . . . . . . . c25522_2n0e 1 . 14 . 2009 . 1 1 4 TRP HH2 H 6.388 -2.892 -0.242 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HH2 . . . . . . . . . c25522_2n0e 1 . 14 . 2010 . 1 1 4 TRP HZ2 H 7.175 -0.826 0.645 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HZ2 . . . . . . . . . c25522_2n0e 1 . 14 . 2011 . 1 1 4 TRP HZ3 H 4.261 -3.032 -1.305 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HZ3 . . . . . . . . . c25522_2n0e 1 . 14 . 2012 . 1 1 4 TRP N N 1.613 2.661 1.202 . . . 1.0 . . . . . . . . . . . . A . 4 TRP N . . . . . . . . . c25522_2n0e 1 . 14 . 2013 . 1 1 4 TRP NE1 N 5.666 1.523 0.489 . . . 1.0 . . . . . . . . . . . . A . 4 TRP NE1 . . . . . . . . . c25522_2n0e 1 . 14 . 2014 . 1 1 4 TRP O O -0.173 -0.050 -0.058 . . . 1.0 . . . . . . . . . . . . A . 4 TRP O . . . . . . . . . c25522_2n0e 1 . 14 . 2015 . 1 1 5 ALA C C 0.094 -1.703 2.213 . . . 1.0 . . . . . . . . . . . . A . 5 ALA C . . . . . . . . . c25522_2n0e 1 . 14 . 2016 . 1 1 5 ALA CA C 1.480 -1.535 1.597 . . . 1.0 . . . . . . . . . . . . A . 5 ALA CA . . . . . . . . . c25522_2n0e 1 . 14 . 2017 . 1 1 5 ALA CB C 2.553 -1.967 2.586 . . . 1.0 . . . . . . . . . . . . A . 5 ALA CB . . . . . . . . . c25522_2n0e 1 . 14 . 2018 . 1 1 5 ALA H H 2.520 0.323 1.497 . . . 1.0 . . . . . . . . . . . . A . 5 ALA H . . . . . . . . . c25522_2n0e 1 . 14 . 2019 . 1 1 5 ALA HA H 1.540 -2.124 0.791 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HA . . . . . . . . . c25522_2n0e 1 . 14 . 2020 . 1 1 5 ALA HB1 H 2.524 -1.370 3.388 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB1 . . . . . . . . . c25522_2n0e 1 . 14 . 2021 . 1 1 5 ALA HB2 H 2.392 -2.913 2.869 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB2 . . . . . . . . . c25522_2n0e 1 . 14 . 2022 . 1 1 5 ALA HB3 H 3.451 -1.898 2.151 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB3 . . . . . . . . . c25522_2n0e 1 . 14 . 2023 . 1 1 5 ALA N N 1.704 -0.158 1.177 . . . 1.0 . . . . . . . . . . . . A . 5 ALA N . . . . . . . . . c25522_2n0e 1 . 14 . 2024 . 1 1 5 ALA O O -0.493 -2.783 2.157 . . . 1.0 . . . . . . . . . . . . A . 5 ALA O . . . . . . . . . c25522_2n0e 1 . 14 . 2025 . 1 1 6 VAL C C -2.788 -1.212 2.467 . . . 1.0 . . . . . . . . . . . . A . 6 VAL C . . . . . . . . . c25522_2n0e 1 . 14 . 2026 . 1 1 6 VAL CA C -1.742 -0.656 3.423 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CA . . . . . . . . . c25522_2n0e 1 . 14 . 2027 . 1 1 6 VAL CB C -2.172 0.748 3.882 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CB . . . . . . . . . c25522_2n0e 1 . 14 . 2028 . 1 1 6 VAL CG1 C -1.222 1.280 4.945 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CG1 . . . . . . . . . c25522_2n0e 1 . 14 . 2029 . 1 1 6 VAL CG2 C -2.245 1.698 2.697 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CG2 . . . . . . . . . c25522_2n0e 1 . 14 . 2030 . 1 1 6 VAL H H 0.106 0.221 2.811 . . . 1.0 . . . . . . . . . . . . A . 6 VAL H . . . . . . . . . c25522_2n0e 1 . 14 . 2031 . 1 1 6 VAL HA H -1.693 -1.270 4.211 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HA . . . . . . . . . c25522_2n0e 1 . 14 . 2032 . 1 1 6 VAL HB H -3.077 0.667 4.300 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HB . . . . . . . . . c25522_2n0e 1 . 14 . 2033 . 1 1 6 VAL HG11 H -0.295 1.338 4.574 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG11 . . . . . . . . . c25522_2n0e 1 . 14 . 2034 . 1 1 6 VAL HG12 H -1.528 2.191 5.222 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG12 . . . . . . . . . c25522_2n0e 1 . 14 . 2035 . 1 1 6 VAL HG13 H -1.226 0.672 5.739 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG13 . . . . . . . . . c25522_2n0e 1 . 14 . 2036 . 1 1 6 VAL HG21 H -2.912 1.358 2.034 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG21 . . . . . . . . . c25522_2n0e 1 . 14 . 2037 . 1 1 6 VAL HG22 H -2.526 2.602 3.019 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG22 . . . . . . . . . c25522_2n0e 1 . 14 . 2038 . 1 1 6 VAL HG23 H -1.347 1.763 2.262 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG23 . . . . . . . . . c25522_2n0e 1 . 14 . 2039 . 1 1 6 VAL N N -0.422 -0.628 2.798 . . . 1.0 . . . . . . . . . . . . A . 6 VAL N . . . . . . . . . c25522_2n0e 1 . 14 . 2040 . 1 1 6 VAL O O -3.772 -1.820 2.893 . . . 1.0 . . . . . . . . . . . . A . 6 VAL O . . . . . . . . . c25522_2n0e 1 . 14 . 2041 . 1 1 7 GLY C C -2.862 -2.436 -0.814 . . . 1.0 . . . . . . . . . . . . A . 7 GLY C . . . . . . . . . c25522_2n0e 1 . 14 . 2042 . 1 1 7 GLY CA C -3.510 -1.488 0.176 . . . 1.0 . . . . . . . . . . . . A . 7 GLY CA . . . . . . . . . c25522_2n0e 1 . 14 . 2043 . 1 1 7 GLY H H -1.758 -0.503 0.882 . . . 1.0 . . . . . . . . . . . . A . 7 GLY H . . . . . . . . . c25522_2n0e 1 . 14 . 2044 . 1 1 7 GLY HA2 H -4.253 -1.969 0.641 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA2 . . . . . . . . . c25522_2n0e 1 . 14 . 2045 . 1 1 7 GLY HA3 H -3.881 -0.706 -0.324 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA3 . . . . . . . . . c25522_2n0e 1 . 14 . 2046 . 1 1 7 GLY N N -2.574 -1.002 1.173 . . . 1.0 . . . . . . . . . . . . A . 7 GLY N . . . . . . . . . c25522_2n0e 1 . 14 . 2047 . 1 1 7 GLY O O -3.510 -3.351 -1.324 . . . 1.0 . . . . . . . . . . . . A . 7 GLY O . . . . . . . . . c25522_2n0e 1 . 14 . 2048 . 1 1 8 HIS C C -0.467 -4.390 -1.379 . . . 1.0 . . . . . . . . . . . . A . 8 HIS C . . . . . . . . . c25522_2n0e 1 . 14 . 2049 . 1 1 8 HIS CA C -0.844 -3.060 -2.023 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CA . . . . . . . . . c25522_2n0e 1 . 14 . 2050 . 1 1 8 HIS CB C 0.413 -2.340 -2.508 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CB . . . . . . . . . c25522_2n0e 1 . 14 . 2051 . 1 1 8 HIS CD2 C -0.600 -1.613 -4.785 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CD2 . . . . . . . . . c25522_2n0e 1 . 14 . 2052 . 1 1 8 HIS CE1 C 1.206 -1.841 -6.004 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CE1 . . . . . . . . . c25522_2n0e 1 . 14 . 2053 . 1 1 8 HIS CG C 0.414 -2.042 -3.982 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CG . . . . . . . . . c25522_2n0e 1 . 14 . 2054 . 1 1 8 HIS H H -1.108 -1.459 -0.638 . . . 1.0 . . . . . . . . . . . . A . 8 HIS H . . . . . . . . . c25522_2n0e 1 . 14 . 2055 . 1 1 8 HIS HA H -1.440 -3.251 -2.803 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HA . . . . . . . . . c25522_2n0e 1 . 14 . 2056 . 1 1 8 HIS HB2 H 0.493 -1.475 -2.013 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HB2 . . . . . . . . . c25522_2n0e 1 . 14 . 2057 . 1 1 8 HIS HB3 H 1.206 -2.915 -2.304 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HB3 . . . . . . . . . c25522_2n0e 1 . 14 . 2058 . 1 1 8 HIS HD2 H -1.541 -1.423 -4.505 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HD2 . . . . . . . . . c25522_2n0e 1 . 14 . 2059 . 1 1 8 HIS HE1 H 1.828 -1.846 -6.787 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HE1 . . . . . . . . . c25522_2n0e 1 . 14 . 2060 . 1 1 8 HIS HE2 H -0.559 -1.196 -6.891 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HE2 . . . . . . . . . c25522_2n0e 1 . 14 . 2061 . 1 1 8 HIS N N -1.580 -2.218 -1.086 . . . 1.0 . . . . . . . . . . . . A . 8 HIS N . . . . . . . . . c25522_2n0e 1 . 14 . 2062 . 1 1 8 HIS ND1 N 1.545 -2.180 -4.768 . . . 1.0 . . . . . . . . . . . . A . 8 HIS ND1 . . . . . . . . . c25522_2n0e 1 . 14 . 2063 . 1 1 8 HIS NE2 N -0.082 -1.490 -6.063 . . . 1.0 . . . . . . . . . . . . A . 8 HIS NE2 . . . . . . . . . c25522_2n0e 1 . 14 . 2064 . 1 1 8 HIS O O -0.178 -5.368 -2.069 . . . 1.0 . . . . . . . . . . . . A . 8 HIS O . . . . . . . . . c25522_2n0e 1 . 14 . 2065 . 1 1 9 LEU C C -1.276 -6.054 1.601 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . c25522_2n0e 1 . 14 . 2066 . 1 1 9 LEU CA C -0.129 -5.630 0.689 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . c25522_2n0e 1 . 14 . 2067 . 1 1 9 LEU CB C 1.139 -5.405 1.516 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . c25522_2n0e 1 . 14 . 2068 . 1 1 9 LEU CD1 C 3.637 -5.324 1.705 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . c25522_2n0e 1 . 14 . 2069 . 1 1 9 LEU CD2 C 2.551 -7.061 0.270 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . c25522_2n0e 1 . 14 . 2070 . 1 1 9 LEU CG C 2.464 -5.632 0.788 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . c25522_2n0e 1 . 14 . 2071 . 1 1 9 LEU H H -0.715 -3.592 0.456 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . c25522_2n0e 1 . 14 . 2072 . 1 1 9 LEU HA H 0.033 -6.364 0.030 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . c25522_2n0e 1 . 14 . 2073 . 1 1 9 LEU HB2 H 1.128 -4.460 1.843 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . c25522_2n0e 1 . 14 . 2074 . 1 1 9 LEU HB3 H 1.110 -6.028 2.298 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . c25522_2n0e 1 . 14 . 2075 . 1 1 9 LEU HD11 H 3.589 -4.370 2.000 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . c25522_2n0e 1 . 14 . 2076 . 1 1 9 LEU HD12 H 3.601 -5.922 2.506 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . c25522_2n0e 1 . 14 . 2077 . 1 1 9 LEU HD13 H 4.493 -5.478 1.212 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . c25522_2n0e 1 . 14 . 2078 . 1 1 9 LEU HD21 H 1.793 -7.225 -0.361 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . c25522_2n0e 1 . 14 . 2079 . 1 1 9 LEU HD22 H 3.418 -7.208 -0.206 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . c25522_2n0e 1 . 14 . 2080 . 1 1 9 LEU HD23 H 2.484 -7.692 1.043 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . c25522_2n0e 1 . 14 . 2081 . 1 1 9 LEU HG H 2.505 -5.033 -0.011 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . c25522_2n0e 1 . 14 . 2082 . 1 1 9 LEU N N -0.471 -4.420 -0.050 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . c25522_2n0e 1 . 14 . 2083 . 1 1 9 LEU O O -1.962 -7.040 1.334 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . c25522_2n0e 1 . 14 . 2084 . 1 1 10 MET C C -3.683 -4.588 3.497 . . . 1.0 . . . . . . . . . . . . A . 10 MET C . . . . . . . . . c25522_2n0e 1 . 14 . 2085 . 1 1 10 MET CA C -2.546 -5.597 3.626 . . . 1.0 . . . . . . . . . . . . A . 10 MET CA . . . . . . . . . c25522_2n0e 1 . 14 . 2086 . 1 1 10 MET CB C -2.001 -5.590 5.056 . . . 1.0 . . . . . . . . . . . . A . 10 MET CB . . . . . . . . . c25522_2n0e 1 . 14 . 2087 . 1 1 10 MET CE C 0.942 -3.395 6.091 . . . 1.0 . . . . . . . . . . . . A . 10 MET CE . . . . . . . . . c25522_2n0e 1 . 14 . 2088 . 1 1 10 MET CG C -1.658 -4.202 5.569 . . . 1.0 . . . . . . . . . . . . A . 10 MET CG . . . . . . . . . c25522_2n0e 1 . 14 . 2089 . 1 1 10 MET H H -0.886 -4.513 2.840 . . . 1.0 . . . . . . . . . . . . A . 10 MET H . . . . . . . . . c25522_2n0e 1 . 14 . 2090 . 1 1 10 MET HA H -2.912 -6.500 3.403 . . . 1.0 . . . . . . . . . . . . A . 10 MET HA . . . . . . . . . c25522_2n0e 1 . 14 . 2091 . 1 1 10 MET HB2 H -2.691 -5.988 5.660 . . . 1.0 . . . . . . . . . . . . A . 10 MET HB2 . . . . . . . . . c25522_2n0e 1 . 14 . 2092 . 1 1 10 MET HB3 H -1.173 -6.150 5.082 . . . 1.0 . . . . . . . . . . . . A . 10 MET HB3 . . . . . . . . . c25522_2n0e 1 . 14 . 2093 . 1 1 10 MET HE1 H 1.210 -3.907 5.275 . . . 1.0 . . . . . . . . . . . . A . 10 MET HE1 . . . . . . . . . c25522_2n0e 1 . 14 . 2094 . 1 1 10 MET HE2 H 0.655 -2.474 5.828 . . . 1.0 . . . . . . . . . . . . A . 10 MET HE2 . . . . . . . . . c25522_2n0e 1 . 14 . 2095 . 1 1 10 MET HE3 H 1.719 -3.335 6.717 . . . 1.0 . . . . . . . . . . . . A . 10 MET HE3 . . . . . . . . . c25522_2n0e 1 . 14 . 2096 . 1 1 10 MET HG2 H -1.304 -3.663 4.805 . . . 1.0 . . . . . . . . . . . . A . 10 MET HG2 . . . . . . . . . c25522_2n0e 1 . 14 . 2097 . 1 1 10 MET HG3 H -2.495 -3.779 5.916 . . . 1.0 . . . . . . . . . . . . A . 10 MET HG3 . . . . . . . . . c25522_2n0e 1 . 14 . 2098 . 1 1 10 MET N N -1.479 -5.301 2.677 . . . 1.0 . . . . . . . . . . . . A . 10 MET N . . . . . . . . . c25522_2n0e 1 . 14 . 2099 . 1 1 10 MET O O -4.790 -4.820 3.985 . . . 1.0 . . . . . . . . . . . . A . 10 MET O . . . . . . . . . c25522_2n0e 1 . 14 . 2100 . 1 1 10 MET SD S -0.426 -4.233 6.887 . . . 1.0 . . . . . . . . . . . . A . 10 MET SD . . . . . . . . . c25522_2n0e 1 . 15 . 2101 . 1 1 1 GLY C C -0.563 9.653 3.767 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c25522_2n0e 1 . 15 . 2102 . 1 1 1 GLY CA C -0.781 10.962 3.035 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c25522_2n0e 1 . 15 . 2103 . 1 1 1 GLY H1 H -0.406 12.185 4.596 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c25522_2n0e 1 . 15 . 2104 . 1 1 1 GLY H2 H -1.272 12.885 3.401 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H2 . . . . . . . . . c25522_2n0e 1 . 15 . 2105 . 1 1 1 GLY H3 H -1.986 11.818 4.409 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H3 . . . . . . . . . c25522_2n0e 1 . 15 . 2106 . 1 1 1 GLY HA2 H -1.518 10.839 2.370 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c25522_2n0e 1 . 15 . 2107 . 1 1 1 GLY HA3 H 0.062 11.206 2.557 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c25522_2n0e 1 . 15 . 2108 . 1 1 1 GLY N N -1.139 12.047 3.930 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c25522_2n0e 1 . 15 . 2109 . 1 1 1 GLY O O 0.021 9.631 4.850 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c25522_2n0e 1 . 15 . 2110 . 1 1 2 ASN C C 0.187 6.430 3.067 . . . 1.0 . . . . . . . . . . . . A . 2 ASN C . . . . . . . . . c25522_2n0e 1 . 15 . 2111 . 1 1 2 ASN CA C -0.890 7.241 3.782 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CA . . . . . . . . . c25522_2n0e 1 . 15 . 2112 . 1 1 2 ASN CB C -2.221 6.489 3.741 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CB . . . . . . . . . c25522_2n0e 1 . 15 . 2113 . 1 1 2 ASN CG C -3.055 6.720 4.987 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CG . . . . . . . . . c25522_2n0e 1 . 15 . 2114 . 1 1 2 ASN H H -1.501 8.644 2.296 . . . 1.0 . . . . . . . . . . . . A . 2 ASN H . . . . . . . . . c25522_2n0e 1 . 15 . 2115 . 1 1 2 ASN HA H -0.569 7.385 4.718 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HA . . . . . . . . . c25522_2n0e 1 . 15 . 2116 . 1 1 2 ASN HB2 H -2.740 6.799 2.945 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HB2 . . . . . . . . . c25522_2n0e 1 . 15 . 2117 . 1 1 2 ASN HB3 H -2.034 5.510 3.656 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HB3 . . . . . . . . . c25522_2n0e 1 . 15 . 2118 . 1 1 2 ASN HD21 H -2.927 4.763 5.481 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HD21 . . . . . . . . . c25522_2n0e 1 . 15 . 2119 . 1 1 2 ASN HD22 H -3.835 5.748 6.580 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HD22 . . . . . . . . . c25522_2n0e 1 . 15 . 2120 . 1 1 2 ASN N N -1.035 8.560 3.177 . . . 1.0 . . . . . . . . . . . . A . 2 ASN N . . . . . . . . . c25522_2n0e 1 . 15 . 2121 . 1 1 2 ASN ND2 N -3.292 5.656 5.745 . . . 1.0 . . . . . . . . . . . . A . 2 ASN ND2 . . . . . . . . . c25522_2n0e 1 . 15 . 2122 . 1 1 2 ASN O O 0.800 6.900 2.109 . . . 1.0 . . . . . . . . . . . . A . 2 ASN O . . . . . . . . . c25522_2n0e 1 . 15 . 2123 . 1 1 2 ASN OD1 O -3.479 7.842 5.264 . . . 1.0 . . . . . . . . . . . . A . 2 ASN OD1 . . . . . . . . . c25522_2n0e 1 . 15 . 2124 . 1 1 3 HIS C C 0.858 3.630 1.711 . . . 1.0 . . . . . . . . . . . . A . 3 HIS C . . . . . . . . . c25522_2n0e 1 . 15 . 2125 . 1 1 3 HIS CA C 1.414 4.331 2.947 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CA . . . . . . . . . c25522_2n0e 1 . 15 . 2126 . 1 1 3 HIS CB C 1.885 3.293 3.966 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CB . . . . . . . . . c25522_2n0e 1 . 15 . 2127 . 1 1 3 HIS CD2 C 4.232 2.267 3.533 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CD2 . . . . . . . . . c25522_2n0e 1 . 15 . 2128 . 1 1 3 HIS CE1 C 5.408 3.718 4.675 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CE1 . . . . . . . . . c25522_2n0e 1 . 15 . 2129 . 1 1 3 HIS CG C 3.382 3.187 4.069 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CG . . . . . . . . . c25522_2n0e 1 . 15 . 2130 . 1 1 3 HIS H H -0.116 4.885 4.326 . . . 1.0 . . . . . . . . . . . . A . 3 HIS H . . . . . . . . . c25522_2n0e 1 . 15 . 2131 . 1 1 3 HIS HA H 2.190 4.894 2.661 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HA . . . . . . . . . c25522_2n0e 1 . 15 . 2132 . 1 1 3 HIS HB2 H 1.525 3.544 4.865 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HB2 . . . . . . . . . c25522_2n0e 1 . 15 . 2133 . 1 1 3 HIS HB3 H 1.524 2.399 3.699 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HB3 . . . . . . . . . c25522_2n0e 1 . 15 . 2134 . 1 1 3 HIS HD2 H 3.979 1.485 2.963 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HD2 . . . . . . . . . c25522_2n0e 1 . 15 . 2135 . 1 1 3 HIS HE1 H 6.183 4.192 5.094 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HE1 . . . . . . . . . c25522_2n0e 1 . 15 . 2136 . 1 1 3 HIS HE2 H 6.368 2.151 3.703 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HE2 . . . . . . . . . c25522_2n0e 1 . 15 . 2137 . 1 1 3 HIS N N 0.413 5.209 3.542 . . . 1.0 . . . . . . . . . . . . A . 3 HIS N . . . . . . . . . c25522_2n0e 1 . 15 . 2138 . 1 1 3 HIS ND1 N 4.143 4.095 4.787 . . . 1.0 . . . . . . . . . . . . A . 3 HIS ND1 . . . . . . . . . c25522_2n0e 1 . 15 . 2139 . 1 1 3 HIS NE2 N 5.511 2.617 3.925 . . . 1.0 . . . . . . . . . . . . A . 3 HIS NE2 . . . . . . . . . c25522_2n0e 1 . 15 . 2140 . 1 1 3 HIS O O -0.226 3.962 1.232 . . . 1.0 . . . . . . . . . . . . A . 3 HIS O . . . . . . . . . c25522_2n0e 1 . 15 . 2141 . 1 1 4 TRP C C 0.842 0.474 0.380 . . . 1.0 . . . . . . . . . . . . A . 4 TRP C . . . . . . . . . c25522_2n0e 1 . 15 . 2142 . 1 1 4 TRP CA C 1.190 1.914 0.019 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CA . . . . . . . . . c25522_2n0e 1 . 15 . 2143 . 1 1 4 TRP CB C 2.295 1.933 -1.039 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CB . . . . . . . . . c25522_2n0e 1 . 15 . 2144 . 1 1 4 TRP CD1 C 4.558 2.273 0.112 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CD1 . . . . . . . . . c25522_2n0e 1 . 15 . 2145 . 1 1 4 TRP CD2 C 4.180 0.175 -0.573 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CD2 . . . . . . . . . c25522_2n0e 1 . 15 . 2146 . 1 1 4 TRP CE2 C 5.449 0.226 0.039 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CE2 . . . . . . . . . c25522_2n0e 1 . 15 . 2147 . 1 1 4 TRP CE3 C 3.727 -1.046 -1.081 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CE3 . . . . . . . . . c25522_2n0e 1 . 15 . 2148 . 1 1 4 TRP CG C 3.629 1.494 -0.515 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CG . . . . . . . . . c25522_2n0e 1 . 15 . 2149 . 1 1 4 TRP CH2 C 5.795 -2.077 -0.353 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CH2 . . . . . . . . . c25522_2n0e 1 . 15 . 2150 . 1 1 4 TRP CZ2 C 6.265 -0.896 0.154 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CZ2 . . . . . . . . . c25522_2n0e 1 . 15 . 2151 . 1 1 4 TRP CZ3 C 4.539 -2.158 -0.966 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CZ3 . . . . . . . . . c25522_2n0e 1 . 15 . 2152 . 1 1 4 TRP H H 2.481 2.437 1.635 . . . 1.0 . . . . . . . . . . . . A . 4 TRP H . . . . . . . . . c25522_2n0e 1 . 15 . 2153 . 1 1 4 TRP HA H 0.356 2.345 -0.326 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HA . . . . . . . . . c25522_2n0e 1 . 15 . 2154 . 1 1 4 TRP HB2 H 2.033 1.321 -1.785 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HB2 . . . . . . . . . c25522_2n0e 1 . 15 . 2155 . 1 1 4 TRP HB3 H 2.385 2.865 -1.389 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HB3 . . . . . . . . . c25522_2n0e 1 . 15 . 2156 . 1 1 4 TRP HD1 H 4.456 3.250 0.300 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HD1 . . . . . . . . . c25522_2n0e 1 . 15 . 2157 . 1 1 4 TRP HE1 H 6.474 1.852 0.915 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HE1 . . . . . . . . . c25522_2n0e 1 . 15 . 2158 . 1 1 4 TRP HE3 H 2.831 -1.115 -1.520 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HE3 . . . . . . . . . c25522_2n0e 1 . 15 . 2159 . 1 1 4 TRP HH2 H 6.358 -2.901 -0.286 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HH2 . . . . . . . . . c25522_2n0e 1 . 15 . 2160 . 1 1 4 TRP HZ2 H 7.162 -0.837 0.592 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HZ2 . . . . . . . . . c25522_2n0e 1 . 15 . 2161 . 1 1 4 TRP HZ3 H 4.223 -3.035 -1.327 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HZ3 . . . . . . . . . c25522_2n0e 1 . 15 . 2162 . 1 1 4 TRP N N 1.609 2.660 1.200 . . . 1.0 . . . . . . . . . . . . A . 4 TRP N . . . . . . . . . c25522_2n0e 1 . 15 . 2163 . 1 1 4 TRP NE1 N 5.656 1.517 0.448 . . . 1.0 . . . . . . . . . . . . A . 4 TRP NE1 . . . . . . . . . c25522_2n0e 1 . 15 . 2164 . 1 1 4 TRP O O -0.183 -0.053 -0.053 . . . 1.0 . . . . . . . . . . . . A . 4 TRP O . . . . . . . . . c25522_2n0e 1 . 15 . 2165 . 1 1 5 ALA C C 0.092 -1.706 2.212 . . . 1.0 . . . . . . . . . . . . A . 5 ALA C . . . . . . . . . c25522_2n0e 1 . 15 . 2166 . 1 1 5 ALA CA C 1.478 -1.533 1.599 . . . 1.0 . . . . . . . . . . . . A . 5 ALA CA . . . . . . . . . c25522_2n0e 1 . 15 . 2167 . 1 1 5 ALA CB C 2.551 -1.960 2.589 . . . 1.0 . . . . . . . . . . . . A . 5 ALA CB . . . . . . . . . c25522_2n0e 1 . 15 . 2168 . 1 1 5 ALA H H 2.513 0.329 1.497 . . . 1.0 . . . . . . . . . . . . A . 5 ALA H . . . . . . . . . c25522_2n0e 1 . 15 . 2169 . 1 1 5 ALA HA H 1.542 -2.122 0.794 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HA . . . . . . . . . c25522_2n0e 1 . 15 . 2170 . 1 1 5 ALA HB1 H 3.449 -1.888 2.155 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB1 . . . . . . . . . c25522_2n0e 1 . 15 . 2171 . 1 1 5 ALA HB2 H 2.519 -1.362 3.390 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB2 . . . . . . . . . c25522_2n0e 1 . 15 . 2172 . 1 1 5 ALA HB3 H 2.393 -2.906 2.872 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB3 . . . . . . . . . c25522_2n0e 1 . 15 . 2173 . 1 1 5 ALA N N 1.698 -0.155 1.178 . . . 1.0 . . . . . . . . . . . . A . 5 ALA N . . . . . . . . . c25522_2n0e 1 . 15 . 2174 . 1 1 5 ALA O O -0.494 -2.786 2.154 . . . 1.0 . . . . . . . . . . . . A . 5 ALA O . . . . . . . . . c25522_2n0e 1 . 15 . 2175 . 1 1 6 VAL C C -2.792 -1.221 2.467 . . . 1.0 . . . . . . . . . . . . A . 6 VAL C . . . . . . . . . c25522_2n0e 1 . 15 . 2176 . 1 1 6 VAL CA C -1.747 -0.663 3.424 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CA . . . . . . . . . c25522_2n0e 1 . 15 . 2177 . 1 1 6 VAL CB C -2.181 0.738 3.885 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CB . . . . . . . . . c25522_2n0e 1 . 15 . 2178 . 1 1 6 VAL CG1 C -1.230 1.273 4.946 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CG1 . . . . . . . . . c25522_2n0e 1 . 15 . 2179 . 1 1 6 VAL CG2 C -2.259 1.689 2.700 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CG2 . . . . . . . . . c25522_2n0e 1 . 15 . 2180 . 1 1 6 VAL H H 0.100 0.218 2.815 . . . 1.0 . . . . . . . . . . . . A . 6 VAL H . . . . . . . . . c25522_2n0e 1 . 15 . 2181 . 1 1 6 VAL HA H -1.697 -1.277 4.212 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HA . . . . . . . . . c25522_2n0e 1 . 15 . 2182 . 1 1 6 VAL HB H -3.084 0.653 4.305 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HB . . . . . . . . . c25522_2n0e 1 . 15 . 2183 . 1 1 6 VAL HG11 H -0.305 1.335 4.572 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG11 . . . . . . . . . c25522_2n0e 1 . 15 . 2184 . 1 1 6 VAL HG12 H -1.538 2.183 5.224 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG12 . . . . . . . . . c25522_2n0e 1 . 15 . 2185 . 1 1 6 VAL HG13 H -1.229 0.664 5.739 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG13 . . . . . . . . . c25522_2n0e 1 . 15 . 2186 . 1 1 6 VAL HG21 H -2.926 1.347 2.038 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG21 . . . . . . . . . c25522_2n0e 1 . 15 . 2187 . 1 1 6 VAL HG22 H -2.542 2.592 3.023 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG22 . . . . . . . . . c25522_2n0e 1 . 15 . 2188 . 1 1 6 VAL HG23 H -1.362 1.758 2.264 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG23 . . . . . . . . . c25522_2n0e 1 . 15 . 2189 . 1 1 6 VAL N N -0.427 -0.632 2.800 . . . 1.0 . . . . . . . . . . . . A . 6 VAL N . . . . . . . . . c25522_2n0e 1 . 15 . 2190 . 1 1 6 VAL O O -3.772 -1.832 2.890 . . . 1.0 . . . . . . . . . . . . A . 6 VAL O . . . . . . . . . c25522_2n0e 1 . 15 . 2191 . 1 1 7 GLY C C -2.860 -2.434 -0.819 . . . 1.0 . . . . . . . . . . . . A . 7 GLY C . . . . . . . . . c25522_2n0e 1 . 15 . 2192 . 1 1 7 GLY CA C -3.512 -1.492 0.175 . . . 1.0 . . . . . . . . . . . . A . 7 GLY CA . . . . . . . . . c25522_2n0e 1 . 15 . 2193 . 1 1 7 GLY H H -1.763 -0.503 0.884 . . . 1.0 . . . . . . . . . . . . A . 7 GLY H . . . . . . . . . c25522_2n0e 1 . 15 . 2194 . 1 1 7 GLY HA2 H -4.253 -1.977 0.639 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA2 . . . . . . . . . c25522_2n0e 1 . 15 . 2195 . 1 1 7 GLY HA3 H -3.886 -0.709 -0.322 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA3 . . . . . . . . . c25522_2n0e 1 . 15 . 2196 . 1 1 7 GLY N N -2.578 -1.006 1.173 . . . 1.0 . . . . . . . . . . . . A . 7 GLY N . . . . . . . . . c25522_2n0e 1 . 15 . 2197 . 1 1 7 GLY O O -3.508 -3.342 -1.341 . . . 1.0 . . . . . . . . . . . . A . 7 GLY O . . . . . . . . . c25522_2n0e 1 . 15 . 2198 . 1 1 8 HIS C C -0.460 -4.388 -1.380 . . . 1.0 . . . . . . . . . . . . A . 8 HIS C . . . . . . . . . c25522_2n0e 1 . 15 . 2199 . 1 1 8 HIS CA C -0.836 -3.055 -2.020 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CA . . . . . . . . . c25522_2n0e 1 . 15 . 2200 . 1 1 8 HIS CB C 0.422 -2.331 -2.499 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CB . . . . . . . . . c25522_2n0e 1 . 15 . 2201 . 1 1 8 HIS CD2 C -0.561 -1.539 -4.768 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CD2 . . . . . . . . . c25522_2n0e 1 . 15 . 2202 . 1 1 8 HIS CE1 C 1.212 -1.886 -6.001 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CE1 . . . . . . . . . c25522_2n0e 1 . 15 . 2203 . 1 1 8 HIS CG C 0.428 -2.034 -3.973 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CG . . . . . . . . . c25522_2n0e 1 . 15 . 2204 . 1 1 8 HIS H H -1.103 -1.466 -0.623 . . . 1.0 . . . . . . . . . . . . A . 8 HIS H . . . . . . . . . c25522_2n0e 1 . 15 . 2205 . 1 1 8 HIS HA H -1.430 -3.243 -2.802 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HA . . . . . . . . . c25522_2n0e 1 . 15 . 2206 . 1 1 8 HIS HB2 H 0.497 -1.465 -2.004 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HB2 . . . . . . . . . c25522_2n0e 1 . 15 . 2207 . 1 1 8 HIS HB3 H 1.215 -2.903 -2.291 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HB3 . . . . . . . . . c25522_2n0e 1 . 15 . 2208 . 1 1 8 HIS HD2 H -1.485 -1.286 -4.480 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HD2 . . . . . . . . . c25522_2n0e 1 . 15 . 2209 . 1 1 8 HIS HE1 H 1.825 -1.933 -6.790 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HE1 . . . . . . . . . c25522_2n0e 1 . 15 . 2210 . 1 1 8 HIS HE2 H -0.511 -1.127 -6.874 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HE2 . . . . . . . . . c25522_2n0e 1 . 15 . 2211 . 1 1 8 HIS N N -1.575 -2.219 -1.081 . . . 1.0 . . . . . . . . . . . . A . 8 HIS N . . . . . . . . . c25522_2n0e 1 . 15 . 2212 . 1 1 8 HIS ND1 N 1.541 -2.247 -4.769 . . . 1.0 . . . . . . . . . . . . A . 8 HIS ND1 . . . . . . . . . c25522_2n0e 1 . 15 . 2213 . 1 1 8 HIS NE2 N -0.048 -1.451 -6.049 . . . 1.0 . . . . . . . . . . . . A . 8 HIS NE2 . . . . . . . . . c25522_2n0e 1 . 15 . 2214 . 1 1 8 HIS O O -0.162 -5.361 -2.074 . . . 1.0 . . . . . . . . . . . . A . 8 HIS O . . . . . . . . . c25522_2n0e 1 . 15 . 2215 . 1 1 9 LEU C C -1.281 -6.067 1.590 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . c25522_2n0e 1 . 15 . 2216 . 1 1 9 LEU CA C -0.131 -5.638 0.683 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . c25522_2n0e 1 . 15 . 2217 . 1 1 9 LEU CB C 1.133 -5.416 1.514 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . c25522_2n0e 1 . 15 . 2218 . 1 1 9 LEU CD1 C 3.631 -5.331 1.710 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . c25522_2n0e 1 . 15 . 2219 . 1 1 9 LEU CD2 C 2.552 -7.060 0.261 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . c25522_2n0e 1 . 15 . 2220 . 1 1 9 LEU CG C 2.461 -5.635 0.788 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . c25522_2n0e 1 . 15 . 2221 . 1 1 9 LEU H H -0.721 -3.601 0.456 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . c25522_2n0e 1 . 15 . 2222 . 1 1 9 LEU HA H 0.034 -6.369 0.021 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . c25522_2n0e 1 . 15 . 2223 . 1 1 9 LEU HB2 H 1.119 -4.473 1.847 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . c25522_2n0e 1 . 15 . 2224 . 1 1 9 LEU HB3 H 1.103 -6.044 2.291 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . c25522_2n0e 1 . 15 . 2225 . 1 1 9 LEU HD11 H 3.580 -4.379 2.011 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . c25522_2n0e 1 . 15 . 2226 . 1 1 9 LEU HD12 H 3.594 -5.935 2.506 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . c25522_2n0e 1 . 15 . 2227 . 1 1 9 LEU HD13 H 4.489 -5.480 1.218 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . c25522_2n0e 1 . 15 . 2228 . 1 1 9 LEU HD21 H 1.796 -7.222 -0.373 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . c25522_2n0e 1 . 15 . 2229 . 1 1 9 LEU HD22 H 3.421 -7.202 -0.213 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . c25522_2n0e 1 . 15 . 2230 . 1 1 9 LEU HD23 H 2.484 -7.696 1.030 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . c25522_2n0e 1 . 15 . 2231 . 1 1 9 LEU HG H 2.503 -5.030 -0.007 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . c25522_2n0e 1 . 15 . 2232 . 1 1 9 LEU N N -0.472 -4.425 -0.052 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . c25522_2n0e 1 . 15 . 2233 . 1 1 9 LEU O O -1.988 -7.031 1.299 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . c25522_2n0e 1 . 15 . 2234 . 1 1 10 MET C C -3.806 -4.897 3.275 . . . 1.0 . . . . . . . . . . . . A . 10 MET C . . . . . . . . . c25522_2n0e 1 . 15 . 2235 . 1 1 10 MET CA C -2.528 -5.646 3.637 . . . 1.0 . . . . . . . . . . . . A . 10 MET CA . . . . . . . . . c25522_2n0e 1 . 15 . 2236 . 1 1 10 MET CB C -2.095 -5.282 5.058 . . . 1.0 . . . . . . . . . . . . A . 10 MET CB . . . . . . . . . c25522_2n0e 1 . 15 . 2237 . 1 1 10 MET CE C 0.732 -3.477 5.856 . . . 1.0 . . . . . . . . . . . . A . 10 MET CE . . . . . . . . . c25522_2n0e 1 . 15 . 2238 . 1 1 10 MET CG C -1.962 -3.786 5.289 . . . 1.0 . . . . . . . . . . . . A . 10 MET CG . . . . . . . . . c25522_2n0e 1 . 15 . 2239 . 1 1 10 MET H H -0.853 -4.570 2.872 . . . 1.0 . . . . . . . . . . . . A . 10 MET H . . . . . . . . . c25522_2n0e 1 . 15 . 2240 . 1 1 10 MET HA H -2.720 -6.625 3.577 . . . 1.0 . . . . . . . . . . . . A . 10 MET HA . . . . . . . . . c25522_2n0e 1 . 15 . 2241 . 1 1 10 MET HB2 H -2.774 -5.641 5.698 . . . 1.0 . . . . . . . . . . . . A . 10 MET HB2 . . . . . . . . . c25522_2n0e 1 . 15 . 2242 . 1 1 10 MET HB3 H -1.209 -5.709 5.238 . . . 1.0 . . . . . . . . . . . . A . 10 MET HB3 . . . . . . . . . c25522_2n0e 1 . 15 . 2243 . 1 1 10 MET HE1 H 0.863 -4.397 5.486 . . . 1.0 . . . . . . . . . . . . A . 10 MET HE1 . . . . . . . . . c25522_2n0e 1 . 15 . 2244 . 1 1 10 MET HE2 H 0.760 -2.811 5.110 . . . 1.0 . . . . . . . . . . . . A . 10 MET HE2 . . . . . . . . . c25522_2n0e 1 . 15 . 2245 . 1 1 10 MET HE3 H 1.460 -3.274 6.511 . . . 1.0 . . . . . . . . . . . . A . 10 MET HE3 . . . . . . . . . c25522_2n0e 1 . 15 . 2246 . 1 1 10 MET HG2 H -1.602 -3.370 4.454 . . . 1.0 . . . . . . . . . . . . A . 10 MET HG2 . . . . . . . . . c25522_2n0e 1 . 15 . 2247 . 1 1 10 MET HG3 H -2.871 -3.416 5.481 . . . 1.0 . . . . . . . . . . . . A . 10 MET HG3 . . . . . . . . . c25522_2n0e 1 . 15 . 2248 . 1 1 10 MET N N -1.462 -5.342 2.690 . . . 1.0 . . . . . . . . . . . . A . 10 MET N . . . . . . . . . c25522_2n0e 1 . 15 . 2249 . 1 1 10 MET O O -3.936 -4.365 2.172 . . . 1.0 . . . . . . . . . . . . A . 10 MET O . . . . . . . . . c25522_2n0e 1 . 15 . 2250 . 1 1 10 MET SD S -0.864 -3.389 6.663 . . . 1.0 . . . . . . . . . . . . A . 10 MET SD . . . . . . . . . c25522_2n0e 1 . 16 . 2251 . 1 1 1 GLY C C -1.428 9.611 3.873 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c25522_2n0e 1 . 16 . 2252 . 1 1 1 GLY CA C -1.550 10.920 3.118 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c25522_2n0e 1 . 16 . 2253 . 1 1 1 GLY H1 H -2.342 12.003 4.626 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c25522_2n0e 1 . 16 . 2254 . 1 1 1 GLY H2 H -2.611 12.637 3.146 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H2 . . . . . . . . . c25522_2n0e 1 . 16 . 2255 . 1 1 1 GLY H3 H -3.456 11.330 3.640 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H3 . . . . . . . . . c25522_2n0e 1 . 16 . 2256 . 1 1 1 GLY HA2 H -1.784 10.721 2.166 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c25522_2n0e 1 . 16 . 2257 . 1 1 1 GLY HA3 H -0.670 11.394 3.152 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c25522_2n0e 1 . 16 . 2258 . 1 1 1 GLY N N -2.569 11.790 3.676 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c25522_2n0e 1 . 16 . 2259 . 1 1 1 GLY O O -1.661 9.558 5.079 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c25522_2n0e 1 . 16 . 2260 . 1 1 2 ASN C C 0.169 6.426 3.059 . . . 1.0 . . . . . . . . . . . . A . 2 ASN C . . . . . . . . . c25522_2n0e 1 . 16 . 2261 . 1 1 2 ASN CA C -0.912 7.234 3.769 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CA . . . . . . . . . c25522_2n0e 1 . 16 . 2262 . 1 1 2 ASN CB C -2.241 6.476 3.729 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CB . . . . . . . . . c25522_2n0e 1 . 16 . 2263 . 1 1 2 ASN CG C -3.086 6.726 4.963 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CG . . . . . . . . . c25522_2n0e 1 . 16 . 2264 . 1 1 2 ASN H H -0.885 8.657 2.182 . . . 1.0 . . . . . . . . . . . . A . 2 ASN H . . . . . . . . . c25522_2n0e 1 . 16 . 2265 . 1 1 2 ASN HA H -0.594 7.383 4.705 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HA . . . . . . . . . c25522_2n0e 1 . 16 . 2266 . 1 1 2 ASN HB2 H -2.754 6.770 2.923 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HB2 . . . . . . . . . c25522_2n0e 1 . 16 . 2267 . 1 1 2 ASN HB3 H -2.050 5.497 3.663 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HB3 . . . . . . . . . c25522_2n0e 1 . 16 . 2268 . 1 1 2 ASN HD21 H -2.534 4.945 5.748 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HD21 . . . . . . . . . c25522_2n0e 1 . 16 . 2269 . 1 1 2 ASN HD22 H -3.616 5.881 6.724 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HD22 . . . . . . . . . c25522_2n0e 1 . 16 . 2270 . 1 1 2 ASN N N -1.062 8.550 3.160 . . . 1.0 . . . . . . . . . . . . A . 2 ASN N . . . . . . . . . c25522_2n0e 1 . 16 . 2271 . 1 1 2 ASN ND2 N -3.078 5.772 5.888 . . . 1.0 . . . . . . . . . . . . A . 2 ASN ND2 . . . . . . . . . c25522_2n0e 1 . 16 . 2272 . 1 1 2 ASN O O 0.781 6.894 2.099 . . . 1.0 . . . . . . . . . . . . A . 2 ASN O . . . . . . . . . c25522_2n0e 1 . 16 . 2273 . 1 1 2 ASN OD1 O -3.737 7.763 5.084 . . . 1.0 . . . . . . . . . . . . A . 2 ASN OD1 . . . . . . . . . c25522_2n0e 1 . 16 . 2274 . 1 1 3 HIS C C 0.857 3.629 1.708 . . . 1.0 . . . . . . . . . . . . A . 3 HIS C . . . . . . . . . c25522_2n0e 1 . 16 . 2275 . 1 1 3 HIS CA C 1.406 4.331 2.947 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CA . . . . . . . . . c25522_2n0e 1 . 16 . 2276 . 1 1 3 HIS CB C 1.874 3.293 3.969 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CB . . . . . . . . . c25522_2n0e 1 . 16 . 2277 . 1 1 3 HIS CD2 C 4.217 2.276 3.505 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CD2 . . . . . . . . . c25522_2n0e 1 . 16 . 2278 . 1 1 3 HIS CE1 C 5.398 3.686 4.690 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CE1 . . . . . . . . . c25522_2n0e 1 . 16 . 2279 . 1 1 3 HIS CG C 3.370 3.181 4.069 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CG . . . . . . . . . c25522_2n0e 1 . 16 . 2280 . 1 1 3 HIS H H -0.131 4.881 4.320 . . . 1.0 . . . . . . . . . . . . A . 3 HIS H . . . . . . . . . c25522_2n0e 1 . 16 . 2281 . 1 1 3 HIS HA H 2.181 4.896 2.665 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HA . . . . . . . . . c25522_2n0e 1 . 16 . 2282 . 1 1 3 HIS HB2 H 1.516 3.548 4.867 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HB2 . . . . . . . . . c25522_2n0e 1 . 16 . 2283 . 1 1 3 HIS HB3 H 1.508 2.400 3.706 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HB3 . . . . . . . . . c25522_2n0e 1 . 16 . 2284 . 1 1 3 HIS HD2 H 3.962 1.513 2.911 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HD2 . . . . . . . . . c25522_2n0e 1 . 16 . 2285 . 1 1 3 HIS HE1 H 6.174 4.144 5.123 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HE1 . . . . . . . . . c25522_2n0e 1 . 16 . 2286 . 1 1 3 HIS HE2 H 6.353 2.149 3.673 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HE2 . . . . . . . . . c25522_2n0e 1 . 16 . 2287 . 1 1 3 HIS N N 0.399 5.206 3.537 . . . 1.0 . . . . . . . . . . . . A . 3 HIS N . . . . . . . . . c25522_2n0e 1 . 16 . 2288 . 1 1 3 HIS ND1 N 4.133 4.064 4.814 . . . 1.0 . . . . . . . . . . . . A . 3 HIS ND1 . . . . . . . . . c25522_2n0e 1 . 16 . 2289 . 1 1 3 HIS NE2 N 5.497 2.610 3.908 . . . 1.0 . . . . . . . . . . . . A . 3 HIS NE2 . . . . . . . . . c25522_2n0e 1 . 16 . 2290 . 1 1 3 HIS O O -0.224 3.963 1.223 . . . 1.0 . . . . . . . . . . . . A . 3 HIS O . . . . . . . . . c25522_2n0e 1 . 16 . 2291 . 1 1 4 TRP C C 0.847 0.472 0.380 . . . 1.0 . . . . . . . . . . . . A . 4 TRP C . . . . . . . . . c25522_2n0e 1 . 16 . 2292 . 1 1 4 TRP CA C 1.198 1.912 0.020 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CA . . . . . . . . . c25522_2n0e 1 . 16 . 2293 . 1 1 4 TRP CB C 2.309 1.931 -1.032 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CB . . . . . . . . . c25522_2n0e 1 . 16 . 2294 . 1 1 4 TRP CD1 C 4.562 2.279 0.137 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CD1 . . . . . . . . . c25522_2n0e 1 . 16 . 2295 . 1 1 4 TRP CD2 C 4.199 0.180 -0.553 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CD2 . . . . . . . . . c25522_2n0e 1 . 16 . 2296 . 1 1 4 TRP CE2 C 5.462 0.236 0.068 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CE2 . . . . . . . . . c25522_2n0e 1 . 16 . 2297 . 1 1 4 TRP CE3 C 3.754 -1.042 -1.067 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CE3 . . . . . . . . . c25522_2n0e 1 . 16 . 2298 . 1 1 4 TRP CG C 3.640 1.497 -0.498 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CG . . . . . . . . . c25522_2n0e 1 . 16 . 2299 . 1 1 4 TRP CH2 C 5.822 -2.065 -0.324 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CH2 . . . . . . . . . c25522_2n0e 1 . 16 . 2300 . 1 1 4 TRP CZ2 C 6.283 -0.883 0.187 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CZ2 . . . . . . . . . c25522_2n0e 1 . 16 . 2301 . 1 1 4 TRP CZ3 C 4.571 -2.150 -0.947 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CZ3 . . . . . . . . . c25522_2n0e 1 . 16 . 2302 . 1 1 4 TRP H H 2.478 2.435 1.643 . . . 1.0 . . . . . . . . . . . . A . 4 TRP H . . . . . . . . . c25522_2n0e 1 . 16 . 2303 . 1 1 4 TRP HA H 0.367 2.343 -0.331 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HA . . . . . . . . . c25522_2n0e 1 . 16 . 2304 . 1 1 4 TRP HB2 H 2.053 1.316 -1.778 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HB2 . . . . . . . . . c25522_2n0e 1 . 16 . 2305 . 1 1 4 TRP HB3 H 2.399 2.863 -1.384 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HB3 . . . . . . . . . c25522_2n0e 1 . 16 . 2306 . 1 1 4 TRP HD1 H 4.454 3.255 0.325 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HD1 . . . . . . . . . c25522_2n0e 1 . 16 . 2307 . 1 1 4 TRP HE1 H 6.473 1.867 0.954 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HE1 . . . . . . . . . c25522_2n0e 1 . 16 . 2308 . 1 1 4 TRP HE3 H 2.862 -1.114 -1.513 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HE3 . . . . . . . . . c25522_2n0e 1 . 16 . 2309 . 1 1 4 TRP HH2 H 6.388 -2.886 -0.253 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HH2 . . . . . . . . . c25522_2n0e 1 . 16 . 2310 . 1 1 4 TRP HZ2 H 7.177 -0.820 0.631 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HZ2 . . . . . . . . . c25522_2n0e 1 . 16 . 2311 . 1 1 4 TRP HZ3 H 4.262 -3.028 -1.312 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HZ3 . . . . . . . . . c25522_2n0e 1 . 16 . 2312 . 1 1 4 TRP N N 1.609 2.659 1.202 . . . 1.0 . . . . . . . . . . . . A . 4 TRP N . . . . . . . . . c25522_2n0e 1 . 16 . 2313 . 1 1 4 TRP NE1 N 5.660 1.528 0.480 . . . 1.0 . . . . . . . . . . . . A . 4 TRP NE1 . . . . . . . . . c25522_2n0e 1 . 16 . 2314 . 1 1 4 TRP O O -0.178 -0.053 -0.055 . . . 1.0 . . . . . . . . . . . . A . 4 TRP O . . . . . . . . . c25522_2n0e 1 . 16 . 2315 . 1 1 5 ALA C C 0.094 -1.707 2.212 . . . 1.0 . . . . . . . . . . . . A . 5 ALA C . . . . . . . . . c25522_2n0e 1 . 16 . 2316 . 1 1 5 ALA CA C 1.479 -1.537 1.598 . . . 1.0 . . . . . . . . . . . . A . 5 ALA CA . . . . . . . . . c25522_2n0e 1 . 16 . 2317 . 1 1 5 ALA CB C 2.553 -1.967 2.585 . . . 1.0 . . . . . . . . . . . . A . 5 ALA CB . . . . . . . . . c25522_2n0e 1 . 16 . 2318 . 1 1 5 ALA H H 2.516 0.323 1.499 . . . 1.0 . . . . . . . . . . . . A . 5 ALA H . . . . . . . . . c25522_2n0e 1 . 16 . 2319 . 1 1 5 ALA HA H 1.540 -2.126 0.792 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HA . . . . . . . . . c25522_2n0e 1 . 16 . 2320 . 1 1 5 ALA HB1 H 2.524 -1.370 3.387 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB1 . . . . . . . . . c25522_2n0e 1 . 16 . 2321 . 1 1 5 ALA HB2 H 2.393 -2.913 2.868 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB2 . . . . . . . . . c25522_2n0e 1 . 16 . 2322 . 1 1 5 ALA HB3 H 3.450 -1.896 2.149 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB3 . . . . . . . . . c25522_2n0e 1 . 16 . 2323 . 1 1 5 ALA N N 1.701 -0.159 1.178 . . . 1.0 . . . . . . . . . . . . A . 5 ALA N . . . . . . . . . c25522_2n0e 1 . 16 . 2324 . 1 1 5 ALA O O -0.494 -2.787 2.155 . . . 1.0 . . . . . . . . . . . . A . 5 ALA O . . . . . . . . . c25522_2n0e 1 . 16 . 2325 . 1 1 6 VAL C C -2.789 -1.217 2.468 . . . 1.0 . . . . . . . . . . . . A . 6 VAL C . . . . . . . . . c25522_2n0e 1 . 16 . 2326 . 1 1 6 VAL CA C -1.743 -0.662 3.425 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CA . . . . . . . . . c25522_2n0e 1 . 16 . 2327 . 1 1 6 VAL CB C -2.174 0.740 3.888 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CB . . . . . . . . . c25522_2n0e 1 . 16 . 2328 . 1 1 6 VAL CG1 C -1.221 1.271 4.948 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CG1 . . . . . . . . . c25522_2n0e 1 . 16 . 2329 . 1 1 6 VAL CG2 C -2.250 1.692 2.704 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CG2 . . . . . . . . . c25522_2n0e 1 . 16 . 2330 . 1 1 6 VAL H H 0.103 0.218 2.814 . . . 1.0 . . . . . . . . . . . . A . 6 VAL H . . . . . . . . . c25522_2n0e 1 . 16 . 2331 . 1 1 6 VAL HA H -1.693 -1.277 4.212 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HA . . . . . . . . . c25522_2n0e 1 . 16 . 2332 . 1 1 6 VAL HB H -3.077 0.656 4.309 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HB . . . . . . . . . c25522_2n0e 1 . 16 . 2333 . 1 1 6 VAL HG11 H -0.296 1.331 4.573 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG11 . . . . . . . . . c25522_2n0e 1 . 16 . 2334 . 1 1 6 VAL HG12 H -1.527 2.181 5.228 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG12 . . . . . . . . . c25522_2n0e 1 . 16 . 2335 . 1 1 6 VAL HG13 H -1.221 0.661 5.741 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG13 . . . . . . . . . c25522_2n0e 1 . 16 . 2336 . 1 1 6 VAL HG21 H -2.918 1.353 2.042 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG21 . . . . . . . . . c25522_2n0e 1 . 16 . 2337 . 1 1 6 VAL HG22 H -2.531 2.595 3.028 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG22 . . . . . . . . . c25522_2n0e 1 . 16 . 2338 . 1 1 6 VAL HG23 H -1.353 1.759 2.268 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG23 . . . . . . . . . c25522_2n0e 1 . 16 . 2339 . 1 1 6 VAL N N -0.424 -0.632 2.800 . . . 1.0 . . . . . . . . . . . . A . 6 VAL N . . . . . . . . . c25522_2n0e 1 . 16 . 2340 . 1 1 6 VAL O O -3.772 -1.826 2.892 . . . 1.0 . . . . . . . . . . . . A . 6 VAL O . . . . . . . . . c25522_2n0e 1 . 16 . 2341 . 1 1 7 GLY C C -2.862 -2.430 -0.818 . . . 1.0 . . . . . . . . . . . . A . 7 GLY C . . . . . . . . . c25522_2n0e 1 . 16 . 2342 . 1 1 7 GLY CA C -3.511 -1.488 0.176 . . . 1.0 . . . . . . . . . . . . A . 7 GLY CA . . . . . . . . . c25522_2n0e 1 . 16 . 2343 . 1 1 7 GLY H H -1.760 -0.503 0.883 . . . 1.0 . . . . . . . . . . . . A . 7 GLY H . . . . . . . . . c25522_2n0e 1 . 16 . 2344 . 1 1 7 GLY HA2 H -4.253 -1.972 0.640 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA2 . . . . . . . . . c25522_2n0e 1 . 16 . 2345 . 1 1 7 GLY HA3 H -3.884 -0.705 -0.321 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA3 . . . . . . . . . c25522_2n0e 1 . 16 . 2346 . 1 1 7 GLY N N -2.576 -1.004 1.173 . . . 1.0 . . . . . . . . . . . . A . 7 GLY N . . . . . . . . . c25522_2n0e 1 . 16 . 2347 . 1 1 7 GLY O O -3.512 -3.336 -1.341 . . . 1.0 . . . . . . . . . . . . A . 7 GLY O . . . . . . . . . c25522_2n0e 1 . 16 . 2348 . 1 1 8 HIS C C -0.463 -4.387 -1.381 . . . 1.0 . . . . . . . . . . . . A . 8 HIS C . . . . . . . . . c25522_2n0e 1 . 16 . 2349 . 1 1 8 HIS CA C -0.839 -3.054 -2.021 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CA . . . . . . . . . c25522_2n0e 1 . 16 . 2350 . 1 1 8 HIS CB C 0.418 -2.332 -2.501 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CB . . . . . . . . . c25522_2n0e 1 . 16 . 2351 . 1 1 8 HIS CD2 C -0.579 -1.558 -4.769 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CD2 . . . . . . . . . c25522_2n0e 1 . 16 . 2352 . 1 1 8 HIS CE1 C 1.208 -1.852 -5.999 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CE1 . . . . . . . . . c25522_2n0e 1 . 16 . 2353 . 1 1 8 HIS CG C 0.421 -2.029 -3.973 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CG . . . . . . . . . c25522_2n0e 1 . 16 . 2354 . 1 1 8 HIS H H -1.103 -1.465 -0.623 . . . 1.0 . . . . . . . . . . . . A . 8 HIS H . . . . . . . . . c25522_2n0e 1 . 16 . 2355 . 1 1 8 HIS HA H -1.434 -3.242 -2.802 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HA . . . . . . . . . c25522_2n0e 1 . 16 . 2356 . 1 1 8 HIS HB2 H 0.497 -1.468 -2.003 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HB2 . . . . . . . . . c25522_2n0e 1 . 16 . 2357 . 1 1 8 HIS HB3 H 1.210 -2.907 -2.298 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HB3 . . . . . . . . . c25522_2n0e 1 . 16 . 2358 . 1 1 8 HIS HD2 H -1.510 -1.332 -4.483 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HD2 . . . . . . . . . c25522_2n0e 1 . 16 . 2359 . 1 1 8 HIS HE1 H 1.824 -1.879 -6.786 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HE1 . . . . . . . . . c25522_2n0e 1 . 16 . 2360 . 1 1 8 HIS HE2 H -0.535 -1.136 -6.875 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HE2 . . . . . . . . . c25522_2n0e 1 . 16 . 2361 . 1 1 8 HIS N N -1.576 -2.217 -1.081 . . . 1.0 . . . . . . . . . . . . A . 8 HIS N . . . . . . . . . c25522_2n0e 1 . 16 . 2362 . 1 1 8 HIS ND1 N 1.542 -2.208 -4.767 . . . 1.0 . . . . . . . . . . . . A . 8 HIS ND1 . . . . . . . . . c25522_2n0e 1 . 16 . 2363 . 1 1 8 HIS NE2 N -0.065 -1.451 -6.050 . . . 1.0 . . . . . . . . . . . . A . 8 HIS NE2 . . . . . . . . . c25522_2n0e 1 . 16 . 2364 . 1 1 8 HIS O O -0.172 -5.362 -2.076 . . . 1.0 . . . . . . . . . . . . A . 8 HIS O . . . . . . . . . c25522_2n0e 1 . 16 . 2365 . 1 1 9 LEU C C -1.281 -6.067 1.588 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . c25522_2n0e 1 . 16 . 2366 . 1 1 9 LEU CA C -0.132 -5.638 0.681 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . c25522_2n0e 1 . 16 . 2367 . 1 1 9 LEU CB C 1.133 -5.416 1.513 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . c25522_2n0e 1 . 16 . 2368 . 1 1 9 LEU CD1 C 3.631 -5.334 1.712 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . c25522_2n0e 1 . 16 . 2369 . 1 1 9 LEU CD2 C 2.550 -7.064 0.263 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . c25522_2n0e 1 . 16 . 2370 . 1 1 9 LEU CG C 2.461 -5.638 0.788 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . c25522_2n0e 1 . 16 . 2371 . 1 1 9 LEU H H -0.718 -3.599 0.456 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . c25522_2n0e 1 . 16 . 2372 . 1 1 9 LEU HA H 0.032 -6.369 0.018 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . c25522_2n0e 1 . 16 . 2373 . 1 1 9 LEU HB2 H 1.120 -4.473 1.844 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . c25522_2n0e 1 . 16 . 2374 . 1 1 9 LEU HB3 H 1.102 -6.043 2.291 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . c25522_2n0e 1 . 16 . 2375 . 1 1 9 LEU HD11 H 3.581 -4.381 2.012 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . c25522_2n0e 1 . 16 . 2376 . 1 1 9 LEU HD12 H 3.592 -5.937 2.509 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . c25522_2n0e 1 . 16 . 2377 . 1 1 9 LEU HD13 H 4.489 -5.484 1.221 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . c25522_2n0e 1 . 16 . 2378 . 1 1 9 LEU HD21 H 1.794 -7.225 -0.371 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . c25522_2n0e 1 . 16 . 2379 . 1 1 9 LEU HD22 H 3.419 -7.208 -0.211 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . c25522_2n0e 1 . 16 . 2380 . 1 1 9 LEU HD23 H 2.481 -7.699 1.032 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . c25522_2n0e 1 . 16 . 2381 . 1 1 9 LEU HG H 2.505 -5.034 -0.008 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . c25522_2n0e 1 . 16 . 2382 . 1 1 9 LEU N N -0.472 -4.424 -0.053 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . c25522_2n0e 1 . 16 . 2383 . 1 1 9 LEU O O -1.939 -7.077 1.336 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . c25522_2n0e 1 . 16 . 2384 . 1 1 10 MET C C -3.715 -4.565 3.469 . . . 1.0 . . . . . . . . . . . . A . 10 MET C . . . . . . . . . c25522_2n0e 1 . 16 . 2385 . 1 1 10 MET CA C -2.592 -5.591 3.582 . . . 1.0 . . . . . . . . . . . . A . 10 MET CA . . . . . . . . . c25522_2n0e 1 . 16 . 2386 . 1 1 10 MET CB C -2.051 -5.618 5.013 . . . 1.0 . . . . . . . . . . . . A . 10 MET CB . . . . . . . . . c25522_2n0e 1 . 16 . 2387 . 1 1 10 MET CE C 0.731 -2.598 5.774 . . . 1.0 . . . . . . . . . . . . A . 10 MET CE . . . . . . . . . c25522_2n0e 1 . 16 . 2388 . 1 1 10 MET CG C -1.432 -4.301 5.453 . . . 1.0 . . . . . . . . . . . . A . 10 MET CG . . . . . . . . . c25522_2n0e 1 . 16 . 2389 . 1 1 10 MET H H -0.947 -4.485 2.790 . . . 1.0 . . . . . . . . . . . . A . 10 MET H . . . . . . . . . c25522_2n0e 1 . 16 . 2390 . 1 1 10 MET HA H -2.970 -6.485 3.342 . . . 1.0 . . . . . . . . . . . . A . 10 MET HA . . . . . . . . . c25522_2n0e 1 . 16 . 2391 . 1 1 10 MET HB2 H -2.805 -5.835 5.633 . . . 1.0 . . . . . . . . . . . . A . 10 MET HB2 . . . . . . . . . c25522_2n0e 1 . 16 . 2392 . 1 1 10 MET HB3 H -1.353 -6.331 5.075 . . . 1.0 . . . . . . . . . . . . A . 10 MET HB3 . . . . . . . . . c25522_2n0e 1 . 16 . 2393 . 1 1 10 MET HE1 H 0.224 -1.933 5.226 . . . 1.0 . . . . . . . . . . . . A . 10 MET HE1 . . . . . . . . . c25522_2n0e 1 . 16 . 2394 . 1 1 10 MET HE2 H 0.459 -2.516 6.733 . . . 1.0 . . . . . . . . . . . . A . 10 MET HE2 . . . . . . . . . c25522_2n0e 1 . 16 . 2395 . 1 1 10 MET HE3 H 1.712 -2.421 5.689 . . . 1.0 . . . . . . . . . . . . A . 10 MET HE3 . . . . . . . . . c25522_2n0e 1 . 16 . 2396 . 1 1 10 MET HG2 H -1.858 -3.563 4.930 . . . 1.0 . . . . . . . . . . . . A . 10 MET HG2 . . . . . . . . . c25522_2n0e 1 . 16 . 2397 . 1 1 10 MET HG3 H -1.623 -4.173 6.426 . . . 1.0 . . . . . . . . . . . . A . 10 MET HG3 . . . . . . . . . c25522_2n0e 1 . 16 . 2398 . 1 1 10 MET N N -1.518 -5.292 2.640 . . . 1.0 . . . . . . . . . . . . A . 10 MET N . . . . . . . . . c25522_2n0e 1 . 16 . 2399 . 1 1 10 MET O O -4.894 -4.920 3.435 . . . 1.0 . . . . . . . . . . . . A . 10 MET O . . . . . . . . . c25522_2n0e 1 . 16 . 2400 . 1 1 10 MET SD S 0.351 -4.250 5.194 . . . 1.0 . . . . . . . . . . . . A . 10 MET SD . . . . . . . . . c25522_2n0e 1 . 17 . 2401 . 1 1 1 GLY C C -0.142 9.508 3.410 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c25522_2n0e 1 . 17 . 2402 . 1 1 1 GLY CA C -0.400 10.844 2.742 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c25522_2n0e 1 . 17 . 2403 . 1 1 1 GLY H1 H -2.227 11.169 3.537 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c25522_2n0e 1 . 17 . 2404 . 1 1 1 GLY H2 H -1.934 12.030 2.181 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H2 . . . . . . . . . c25522_2n0e 1 . 17 . 2405 . 1 1 1 GLY H3 H -2.262 10.433 2.080 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H3 . . . . . . . . . c25522_2n0e 1 . 17 . 2406 . 1 1 1 GLY HA2 H 0.000 10.828 1.826 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c25522_2n0e 1 . 17 . 2407 . 1 1 1 GLY HA3 H 0.036 11.563 3.283 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c25522_2n0e 1 . 17 . 2408 . 1 1 1 GLY N N -1.816 11.142 2.626 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c25522_2n0e 1 . 17 . 2409 . 1 1 1 GLY O O 0.859 9.339 4.106 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c25522_2n0e 1 . 17 . 2410 . 1 1 2 ASN C C 0.176 6.429 3.083 . . . 1.0 . . . . . . . . . . . . A . 2 ASN C . . . . . . . . . c25522_2n0e 1 . 17 . 2411 . 1 1 2 ASN CA C -0.911 7.231 3.790 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CA . . . . . . . . . c25522_2n0e 1 . 17 . 2412 . 1 1 2 ASN CB C -2.244 6.480 3.717 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CB . . . . . . . . . c25522_2n0e 1 . 17 . 2413 . 1 1 2 ASN CG C -3.103 6.708 4.945 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CG . . . . . . . . . c25522_2n0e 1 . 17 . 2414 . 1 1 2 ASN H H -1.838 8.757 2.623 . . . 1.0 . . . . . . . . . . . . A . 2 ASN H . . . . . . . . . c25522_2n0e 1 . 17 . 2415 . 1 1 2 ASN HA H -0.606 7.363 4.733 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HA . . . . . . . . . c25522_2n0e 1 . 17 . 2416 . 1 1 2 ASN HB2 H -2.745 6.794 2.911 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HB2 . . . . . . . . . c25522_2n0e 1 . 17 . 2417 . 1 1 2 ASN HB3 H -2.057 5.501 3.633 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HB3 . . . . . . . . . c25522_2n0e 1 . 17 . 2418 . 1 1 2 ASN HD21 H -2.425 4.998 5.785 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HD21 . . . . . . . . . c25522_2n0e 1 . 17 . 2419 . 1 1 2 ASN HD22 H -3.572 5.885 6.732 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HD22 . . . . . . . . . c25522_2n0e 1 . 17 . 2420 . 1 1 2 ASN N N -1.046 8.558 3.200 . . . 1.0 . . . . . . . . . . . . A . 2 ASN N . . . . . . . . . c25522_2n0e 1 . 17 . 2421 . 1 1 2 ASN ND2 N -3.027 5.788 5.899 . . . 1.0 . . . . . . . . . . . . A . 2 ASN ND2 . . . . . . . . . c25522_2n0e 1 . 17 . 2422 . 1 1 2 ASN O O 0.808 6.913 2.143 . . . 1.0 . . . . . . . . . . . . A . 2 ASN O . . . . . . . . . c25522_2n0e 1 . 17 . 2423 . 1 1 2 ASN OD1 O -3.828 7.699 5.035 . . . 1.0 . . . . . . . . . . . . A . 2 ASN OD1 . . . . . . . . . c25522_2n0e 1 . 17 . 2424 . 1 1 3 HIS C C 0.855 3.626 1.710 . . . 1.0 . . . . . . . . . . . . A . 3 HIS C . . . . . . . . . c25522_2n0e 1 . 17 . 2425 . 1 1 3 HIS CA C 1.400 4.328 2.950 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CA . . . . . . . . . c25522_2n0e 1 . 17 . 2426 . 1 1 3 HIS CB C 1.871 3.291 3.971 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CB . . . . . . . . . c25522_2n0e 1 . 17 . 2427 . 1 1 3 HIS CD2 C 4.243 2.320 3.555 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CD2 . . . . . . . . . c25522_2n0e 1 . 17 . 2428 . 1 1 3 HIS CE1 C 5.372 3.762 4.753 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CE1 . . . . . . . . . c25522_2n0e 1 . 17 . 2429 . 1 1 3 HIS CG C 3.367 3.211 4.099 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CG . . . . . . . . . c25522_2n0e 1 . 17 . 2430 . 1 1 3 HIS H H -0.157 4.861 4.307 . . . 1.0 . . . . . . . . . . . . A . 3 HIS H . . . . . . . . . c25522_2n0e 1 . 17 . 2431 . 1 1 3 HIS HA H 2.173 4.896 2.670 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HA . . . . . . . . . c25522_2n0e 1 . 17 . 2432 . 1 1 3 HIS HB2 H 1.491 3.529 4.865 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HB2 . . . . . . . . . c25522_2n0e 1 . 17 . 2433 . 1 1 3 HIS HB3 H 1.530 2.393 3.692 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HB3 . . . . . . . . . c25522_2n0e 1 . 17 . 2434 . 1 1 3 HIS HD2 H 4.015 1.549 2.961 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HD2 . . . . . . . . . c25522_2n0e 1 . 17 . 2435 . 1 1 3 HIS HE1 H 6.130 4.239 5.197 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HE1 . . . . . . . . . c25522_2n0e 1 . 17 . 2436 . 1 1 3 HIS HE2 H 6.378 2.241 3.764 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HE2 . . . . . . . . . c25522_2n0e 1 . 17 . 2437 . 1 1 3 HIS N N 0.389 5.198 3.540 . . . 1.0 . . . . . . . . . . . . A . 3 HIS N . . . . . . . . . c25522_2n0e 1 . 17 . 2438 . 1 1 3 HIS ND1 N 4.098 4.114 4.853 . . . 1.0 . . . . . . . . . . . . A . 3 HIS ND1 . . . . . . . . . c25522_2n0e 1 . 17 . 2439 . 1 1 3 HIS NE2 N 5.508 2.684 3.980 . . . 1.0 . . . . . . . . . . . . A . 3 HIS NE2 . . . . . . . . . c25522_2n0e 1 . 17 . 2440 . 1 1 3 HIS O O -0.227 3.955 1.224 . . . 1.0 . . . . . . . . . . . . A . 3 HIS O . . . . . . . . . c25522_2n0e 1 . 17 . 2441 . 1 1 4 TRP C C 0.852 0.473 0.378 . . . 1.0 . . . . . . . . . . . . A . 4 TRP C . . . . . . . . . c25522_2n0e 1 . 17 . 2442 . 1 1 4 TRP CA C 1.206 1.912 0.019 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CA . . . . . . . . . c25522_2n0e 1 . 17 . 2443 . 1 1 4 TRP CB C 2.321 1.929 -1.028 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CB . . . . . . . . . c25522_2n0e 1 . 17 . 2444 . 1 1 4 TRP CD1 C 4.571 2.282 0.146 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CD1 . . . . . . . . . c25522_2n0e 1 . 17 . 2445 . 1 1 4 TRP CD2 C 4.208 0.179 -0.534 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CD2 . . . . . . . . . c25522_2n0e 1 . 17 . 2446 . 1 1 4 TRP CE2 C 5.468 0.237 0.090 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CE2 . . . . . . . . . c25522_2n0e 1 . 17 . 2447 . 1 1 4 TRP CE3 C 3.763 -1.045 -1.043 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CE3 . . . . . . . . . c25522_2n0e 1 . 17 . 2448 . 1 1 4 TRP CG C 3.650 1.497 -0.488 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CG . . . . . . . . . c25522_2n0e 1 . 17 . 2449 . 1 1 4 TRP CH2 C 5.828 -2.067 -0.288 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CH2 . . . . . . . . . c25522_2n0e 1 . 17 . 2450 . 1 1 4 TRP CZ2 C 6.288 -0.881 0.218 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CZ2 . . . . . . . . . c25522_2n0e 1 . 17 . 2451 . 1 1 4 TRP CZ3 C 4.577 -2.154 -0.915 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CZ3 . . . . . . . . . c25522_2n0e 1 . 17 . 2452 . 1 1 4 TRP H H 2.482 2.440 1.644 . . . 1.0 . . . . . . . . . . . . A . 4 TRP H . . . . . . . . . c25522_2n0e 1 . 17 . 2453 . 1 1 4 TRP HA H 0.377 2.343 -0.337 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HA . . . . . . . . . c25522_2n0e 1 . 17 . 2454 . 1 1 4 TRP HB2 H 2.068 1.312 -1.773 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HB2 . . . . . . . . . c25522_2n0e 1 . 17 . 2455 . 1 1 4 TRP HB3 H 2.412 2.860 -1.382 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HB3 . . . . . . . . . c25522_2n0e 1 . 17 . 2456 . 1 1 4 TRP HD1 H 4.464 3.259 0.329 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HD1 . . . . . . . . . c25522_2n0e 1 . 17 . 2457 . 1 1 4 TRP HE1 H 6.481 1.869 0.970 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HE1 . . . . . . . . . c25522_2n0e 1 . 17 . 2458 . 1 1 4 TRP HE3 H 2.872 -1.117 -1.492 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HE3 . . . . . . . . . c25522_2n0e 1 . 17 . 2459 . 1 1 4 TRP HH2 H 6.393 -2.888 -0.210 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HH2 . . . . . . . . . c25522_2n0e 1 . 17 . 2460 . 1 1 4 TRP HZ2 H 7.180 -0.816 0.664 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HZ2 . . . . . . . . . c25522_2n0e 1 . 17 . 2461 . 1 1 4 TRP HZ3 H 4.268 -3.034 -1.276 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HZ3 . . . . . . . . . c25522_2n0e 1 . 17 . 2462 . 1 1 4 TRP N N 1.612 2.660 1.203 . . . 1.0 . . . . . . . . . . . . A . 4 TRP N . . . . . . . . . c25522_2n0e 1 . 17 . 2463 . 1 1 4 TRP NE1 N 5.668 1.530 0.496 . . . 1.0 . . . . . . . . . . . . A . 4 TRP NE1 . . . . . . . . . c25522_2n0e 1 . 17 . 2464 . 1 1 4 TRP O O -0.172 -0.051 -0.058 . . . 1.0 . . . . . . . . . . . . A . 4 TRP O . . . . . . . . . c25522_2n0e 1 . 17 . 2465 . 1 1 5 ALA C C 0.095 -1.704 2.211 . . . 1.0 . . . . . . . . . . . . A . 5 ALA C . . . . . . . . . c25522_2n0e 1 . 17 . 2466 . 1 1 5 ALA CA C 1.480 -1.537 1.596 . . . 1.0 . . . . . . . . . . . . A . 5 ALA CA . . . . . . . . . c25522_2n0e 1 . 17 . 2467 . 1 1 5 ALA CB C 2.554 -1.970 2.584 . . . 1.0 . . . . . . . . . . . . A . 5 ALA CB . . . . . . . . . c25522_2n0e 1 . 17 . 2468 . 1 1 5 ALA H H 2.521 0.321 1.498 . . . 1.0 . . . . . . . . . . . . A . 5 ALA H . . . . . . . . . c25522_2n0e 1 . 17 . 2469 . 1 1 5 ALA HA H 1.539 -2.126 0.790 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HA . . . . . . . . . c25522_2n0e 1 . 17 . 2470 . 1 1 5 ALA HB1 H 2.526 -1.373 3.386 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB1 . . . . . . . . . c25522_2n0e 1 . 17 . 2471 . 1 1 5 ALA HB2 H 2.392 -2.916 2.866 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB2 . . . . . . . . . c25522_2n0e 1 . 17 . 2472 . 1 1 5 ALA HB3 H 3.451 -1.901 2.148 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB3 . . . . . . . . . c25522_2n0e 1 . 17 . 2473 . 1 1 5 ALA N N 1.705 -0.160 1.177 . . . 1.0 . . . . . . . . . . . . A . 5 ALA N . . . . . . . . . c25522_2n0e 1 . 17 . 2474 . 1 1 5 ALA O O -0.495 -2.785 2.155 . . . 1.0 . . . . . . . . . . . . A . 5 ALA O . . . . . . . . . c25522_2n0e 1 . 17 . 2475 . 1 1 6 VAL C C -2.787 -1.213 2.468 . . . 1.0 . . . . . . . . . . . . A . 6 VAL C . . . . . . . . . c25522_2n0e 1 . 17 . 2476 . 1 1 6 VAL CA C -1.740 -0.656 3.423 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CA . . . . . . . . . c25522_2n0e 1 . 17 . 2477 . 1 1 6 VAL CB C -2.170 0.747 3.883 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CB . . . . . . . . . c25522_2n0e 1 . 17 . 2478 . 1 1 6 VAL CG1 C -1.220 1.278 4.946 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CG1 . . . . . . . . . c25522_2n0e 1 . 17 . 2479 . 1 1 6 VAL CG2 C -2.242 1.698 2.697 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CG2 . . . . . . . . . c25522_2n0e 1 . 17 . 2480 . 1 1 6 VAL H H 0.108 0.220 2.812 . . . 1.0 . . . . . . . . . . . . A . 6 VAL H . . . . . . . . . c25522_2n0e 1 . 17 . 2481 . 1 1 6 VAL HA H -1.691 -1.269 4.212 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HA . . . . . . . . . c25522_2n0e 1 . 17 . 2482 . 1 1 6 VAL HB H -3.075 0.665 4.301 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HB . . . . . . . . . c25522_2n0e 1 . 17 . 2483 . 1 1 6 VAL HG11 H -0.293 1.336 4.575 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG11 . . . . . . . . . c25522_2n0e 1 . 17 . 2484 . 1 1 6 VAL HG12 H -1.526 2.189 5.224 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG12 . . . . . . . . . c25522_2n0e 1 . 17 . 2485 . 1 1 6 VAL HG13 H -1.224 0.669 5.739 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG13 . . . . . . . . . c25522_2n0e 1 . 17 . 2486 . 1 1 6 VAL HG21 H -2.909 1.359 2.034 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG21 . . . . . . . . . c25522_2n0e 1 . 17 . 2487 . 1 1 6 VAL HG22 H -2.523 2.602 3.019 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG22 . . . . . . . . . c25522_2n0e 1 . 17 . 2488 . 1 1 6 VAL HG23 H -1.343 1.763 2.263 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG23 . . . . . . . . . c25522_2n0e 1 . 17 . 2489 . 1 1 6 VAL N N -0.421 -0.629 2.798 . . . 1.0 . . . . . . . . . . . . A . 6 VAL N . . . . . . . . . c25522_2n0e 1 . 17 . 2490 . 1 1 6 VAL O O -3.769 -1.821 2.893 . . . 1.0 . . . . . . . . . . . . A . 6 VAL O . . . . . . . . . c25522_2n0e 1 . 17 . 2491 . 1 1 7 GLY C C -2.863 -2.432 -0.815 . . . 1.0 . . . . . . . . . . . . A . 7 GLY C . . . . . . . . . c25522_2n0e 1 . 17 . 2492 . 1 1 7 GLY CA C -3.511 -1.486 0.177 . . . 1.0 . . . . . . . . . . . . A . 7 GLY CA . . . . . . . . . c25522_2n0e 1 . 17 . 2493 . 1 1 7 GLY H H -1.760 -0.499 0.882 . . . 1.0 . . . . . . . . . . . . A . 7 GLY H . . . . . . . . . c25522_2n0e 1 . 17 . 2494 . 1 1 7 GLY HA2 H -4.253 -1.968 0.642 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA2 . . . . . . . . . c25522_2n0e 1 . 17 . 2495 . 1 1 7 GLY HA3 H -3.883 -0.704 -0.322 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA3 . . . . . . . . . c25522_2n0e 1 . 17 . 2496 . 1 1 7 GLY N N -2.575 -1.000 1.173 . . . 1.0 . . . . . . . . . . . . A . 7 GLY N . . . . . . . . . c25522_2n0e 1 . 17 . 2497 . 1 1 7 GLY O O -3.512 -3.341 -1.332 . . . 1.0 . . . . . . . . . . . . A . 7 GLY O . . . . . . . . . c25522_2n0e 1 . 17 . 2498 . 1 1 8 HIS C C -0.468 -4.390 -1.378 . . . 1.0 . . . . . . . . . . . . A . 8 HIS C . . . . . . . . . c25522_2n0e 1 . 17 . 2499 . 1 1 8 HIS CA C -0.843 -3.058 -2.021 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CA . . . . . . . . . c25522_2n0e 1 . 17 . 2500 . 1 1 8 HIS CB C 0.415 -2.337 -2.505 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CB . . . . . . . . . c25522_2n0e 1 . 17 . 2501 . 1 1 8 HIS CD2 C -0.600 -1.626 -4.786 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CD2 . . . . . . . . . c25522_2n0e 1 . 17 . 2502 . 1 1 8 HIS CE1 C 1.216 -1.820 -5.995 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CE1 . . . . . . . . . c25522_2n0e 1 . 17 . 2503 . 1 1 8 HIS CG C 0.417 -2.037 -3.978 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CG . . . . . . . . . c25522_2n0e 1 . 17 . 2504 . 1 1 8 HIS H H -1.106 -1.461 -0.631 . . . 1.0 . . . . . . . . . . . . A . 8 HIS H . . . . . . . . . c25522_2n0e 1 . 17 . 2505 . 1 1 8 HIS HA H -1.439 -3.248 -2.801 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HA . . . . . . . . . c25522_2n0e 1 . 17 . 2506 . 1 1 8 HIS HB2 H 0.495 -1.472 -2.009 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HB2 . . . . . . . . . c25522_2n0e 1 . 17 . 2507 . 1 1 8 HIS HB3 H 1.207 -2.912 -2.301 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HB3 . . . . . . . . . c25522_2n0e 1 . 17 . 2508 . 1 1 8 HIS HD2 H -1.546 -1.453 -4.511 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HD2 . . . . . . . . . c25522_2n0e 1 . 17 . 2509 . 1 1 8 HIS HE1 H 1.842 -1.813 -6.775 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HE1 . . . . . . . . . c25522_2n0e 1 . 17 . 2510 . 1 1 8 HIS HE2 H -0.556 -1.208 -6.892 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HE2 . . . . . . . . . c25522_2n0e 1 . 17 . 2511 . 1 1 8 HIS N N -1.579 -2.217 -1.083 . . . 1.0 . . . . . . . . . . . . A . 8 HIS N . . . . . . . . . c25522_2n0e 1 . 17 . 2512 . 1 1 8 HIS ND1 N 1.555 -2.154 -4.758 . . . 1.0 . . . . . . . . . . . . A . 8 HIS ND1 . . . . . . . . . c25522_2n0e 1 . 17 . 2513 . 1 1 8 HIS NE2 N -0.078 -1.493 -6.061 . . . 1.0 . . . . . . . . . . . . A . 8 HIS NE2 . . . . . . . . . c25522_2n0e 1 . 17 . 2514 . 1 1 8 HIS O O -0.175 -5.365 -2.072 . . . 1.0 . . . . . . . . . . . . A . 8 HIS O . . . . . . . . . c25522_2n0e 1 . 17 . 2515 . 1 1 9 LEU C C -1.284 -6.060 1.596 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . c25522_2n0e 1 . 17 . 2516 . 1 1 9 LEU CA C -0.136 -5.635 0.687 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . c25522_2n0e 1 . 17 . 2517 . 1 1 9 LEU CB C 1.131 -5.414 1.515 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . c25522_2n0e 1 . 17 . 2518 . 1 1 9 LEU CD1 C 3.629 -5.333 1.707 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . c25522_2n0e 1 . 17 . 2519 . 1 1 9 LEU CD2 C 2.543 -7.065 0.265 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . c25522_2n0e 1 . 17 . 2520 . 1 1 9 LEU CG C 2.457 -5.638 0.787 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . c25522_2n0e 1 . 17 . 2521 . 1 1 9 LEU H H -0.724 -3.597 0.457 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . c25522_2n0e 1 . 17 . 2522 . 1 1 9 LEU HA H 0.027 -6.368 0.026 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . c25522_2n0e 1 . 17 . 2523 . 1 1 9 LEU HB2 H 1.120 -4.470 1.846 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . c25522_2n0e 1 . 17 . 2524 . 1 1 9 LEU HB3 H 1.101 -6.040 2.294 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . c25522_2n0e 1 . 17 . 2525 . 1 1 9 LEU HD11 H 3.580 -4.380 2.005 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . c25522_2n0e 1 . 17 . 2526 . 1 1 9 LEU HD12 H 3.592 -5.934 2.505 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . c25522_2n0e 1 . 17 . 2527 . 1 1 9 LEU HD13 H 4.486 -5.485 1.214 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . c25522_2n0e 1 . 17 . 2528 . 1 1 9 LEU HD21 H 1.785 -7.227 -0.367 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . c25522_2n0e 1 . 17 . 2529 . 1 1 9 LEU HD22 H 3.410 -7.210 -0.211 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . c25522_2n0e 1 . 17 . 2530 . 1 1 9 LEU HD23 H 2.476 -7.698 1.036 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . c25522_2n0e 1 . 17 . 2531 . 1 1 9 LEU HG H 2.499 -5.036 -0.010 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . c25522_2n0e 1 . 17 . 2532 . 1 1 9 LEU N N -0.477 -4.423 -0.050 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . c25522_2n0e 1 . 17 . 2533 . 1 1 9 LEU O O -1.954 -7.060 1.341 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . c25522_2n0e 1 . 17 . 2534 . 1 1 10 MET C C -3.723 -4.590 3.456 . . . 1.0 . . . . . . . . . . . . A . 10 MET C . . . . . . . . . c25522_2n0e 1 . 17 . 2535 . 1 1 10 MET CA C -2.578 -5.586 3.603 . . . 1.0 . . . . . . . . . . . . A . 10 MET CA . . . . . . . . . c25522_2n0e 1 . 17 . 2536 . 1 1 10 MET CB C -2.043 -5.558 5.036 . . . 1.0 . . . . . . . . . . . . A . 10 MET CB . . . . . . . . . c25522_2n0e 1 . 17 . 2537 . 1 1 10 MET CE C 1.008 -3.533 6.177 . . . 1.0 . . . . . . . . . . . . A . 10 MET CE . . . . . . . . . c25522_2n0e 1 . 17 . 2538 . 1 1 10 MET CG C -1.600 -4.178 5.493 . . . 1.0 . . . . . . . . . . . . A . 10 MET CG . . . . . . . . . c25522_2n0e 1 . 17 . 2539 . 1 1 10 MET H H -0.927 -4.491 2.811 . . . 1.0 . . . . . . . . . . . . A . 10 MET H . . . . . . . . . c25522_2n0e 1 . 17 . 2540 . 1 1 10 MET HA H -2.934 -6.495 3.388 . . . 1.0 . . . . . . . . . . . . A . 10 MET HA . . . . . . . . . c25522_2n0e 1 . 17 . 2541 . 1 1 10 MET HB2 H -2.765 -5.877 5.650 . . . 1.0 . . . . . . . . . . . . A . 10 MET HB2 . . . . . . . . . c25522_2n0e 1 . 17 . 2542 . 1 1 10 MET HB3 H -1.259 -6.176 5.094 . . . 1.0 . . . . . . . . . . . . A . 10 MET HB3 . . . . . . . . . c25522_2n0e 1 . 17 . 2543 . 1 1 10 MET HE1 H 1.296 -4.096 5.402 . . . 1.0 . . . . . . . . . . . . A . 10 MET HE1 . . . . . . . . . c25522_2n0e 1 . 17 . 2544 . 1 1 10 MET HE2 H 0.808 -2.606 5.860 . . . 1.0 . . . . . . . . . . . . A . 10 MET HE2 . . . . . . . . . c25522_2n0e 1 . 17 . 2545 . 1 1 10 MET HE3 H 1.741 -3.502 6.857 . . . 1.0 . . . . . . . . . . . . A . 10 MET HE3 . . . . . . . . . c25522_2n0e 1 . 17 . 2546 . 1 1 10 MET HG2 H -1.142 -3.725 4.728 . . . 1.0 . . . . . . . . . . . . A . 10 MET HG2 . . . . . . . . . c25522_2n0e 1 . 17 . 2547 . 1 1 10 MET HG3 H -2.413 -3.656 5.751 . . . 1.0 . . . . . . . . . . . . A . 10 MET HG3 . . . . . . . . . c25522_2n0e 1 . 17 . 2548 . 1 1 10 MET N N -1.507 -5.291 2.657 . . . 1.0 . . . . . . . . . . . . A . 10 MET N . . . . . . . . . c25522_2n0e 1 . 17 . 2549 . 1 1 10 MET O O -4.834 -4.832 3.929 . . . 1.0 . . . . . . . . . . . . A . 10 MET O . . . . . . . . . c25522_2n0e 1 . 17 . 2550 . 1 1 10 MET SD S -0.472 -4.240 6.899 . . . 1.0 . . . . . . . . . . . . A . 10 MET SD . . . . . . . . . c25522_2n0e 1 . 18 . 2551 . 1 1 1 GLY C C -0.388 9.608 3.696 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c25522_2n0e 1 . 18 . 2552 . 1 1 1 GLY CA C -0.615 10.932 2.995 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c25522_2n0e 1 . 18 . 2553 . 1 1 1 GLY H1 H 0.226 12.106 4.405 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c25522_2n0e 1 . 18 . 2554 . 1 1 1 GLY H2 H -0.798 12.899 3.409 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H2 . . . . . . . . . c25522_2n0e 1 . 18 . 2555 . 1 1 1 GLY H3 H -1.388 11.920 4.576 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H3 . . . . . . . . . c25522_2n0e 1 . 18 . 2556 . 1 1 1 GLY HA2 H -1.488 10.892 2.510 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c25522_2n0e 1 . 18 . 2557 . 1 1 1 GLY HA3 H 0.125 11.078 2.338 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c25522_2n0e 1 . 18 . 2558 . 1 1 1 GLY N N -0.646 12.051 3.918 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c25522_2n0e 1 . 18 . 2559 . 1 1 1 GLY O O 0.365 9.532 4.666 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c25522_2n0e 1 . 18 . 2560 . 1 1 2 ASN C C 0.180 6.429 3.082 . . . 1.0 . . . . . . . . . . . . A . 2 ASN C . . . . . . . . . c25522_2n0e 1 . 18 . 2561 . 1 1 2 ASN CA C -0.907 7.232 3.791 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CA . . . . . . . . . c25522_2n0e 1 . 18 . 2562 . 1 1 2 ASN CB C -2.239 6.483 3.719 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CB . . . . . . . . . c25522_2n0e 1 . 18 . 2563 . 1 1 2 ASN CG C -3.099 6.711 4.947 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CG . . . . . . . . . c25522_2n0e 1 . 18 . 2564 . 1 1 2 ASN H H -1.637 8.685 2.411 . . . 1.0 . . . . . . . . . . . . A . 2 ASN H . . . . . . . . . c25522_2n0e 1 . 18 . 2565 . 1 1 2 ASN HA H -0.602 7.362 4.734 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HA . . . . . . . . . c25522_2n0e 1 . 18 . 2566 . 1 1 2 ASN HB2 H -2.740 6.797 2.913 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HB2 . . . . . . . . . c25522_2n0e 1 . 18 . 2567 . 1 1 2 ASN HB3 H -2.052 5.504 3.635 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HB3 . . . . . . . . . c25522_2n0e 1 . 18 . 2568 . 1 1 2 ASN HD21 H -2.124 5.250 5.950 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HD21 . . . . . . . . . c25522_2n0e 1 . 18 . 2569 . 1 1 2 ASN HD22 H -3.383 6.044 6.835 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HD22 . . . . . . . . . c25522_2n0e 1 . 18 . 2570 . 1 1 2 ASN N N -1.040 8.560 3.204 . . . 1.0 . . . . . . . . . . . . A . 2 ASN N . . . . . . . . . c25522_2n0e 1 . 18 . 2571 . 1 1 2 ASN ND2 N -2.848 5.938 5.997 . . . 1.0 . . . . . . . . . . . . A . 2 ASN ND2 . . . . . . . . . c25522_2n0e 1 . 18 . 2572 . 1 1 2 ASN O O 0.809 6.913 2.142 . . . 1.0 . . . . . . . . . . . . A . 2 ASN O . . . . . . . . . c25522_2n0e 1 . 18 . 2573 . 1 1 2 ASN OD1 O -3.978 7.573 4.952 . . . 1.0 . . . . . . . . . . . . A . 2 ASN OD1 . . . . . . . . . c25522_2n0e 1 . 18 . 2574 . 1 1 3 HIS C C 0.855 3.625 1.709 . . . 1.0 . . . . . . . . . . . . A . 3 HIS C . . . . . . . . . c25522_2n0e 1 . 18 . 2575 . 1 1 3 HIS CA C 1.402 4.329 2.947 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CA . . . . . . . . . c25522_2n0e 1 . 18 . 2576 . 1 1 3 HIS CB C 1.876 3.292 3.968 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CB . . . . . . . . . c25522_2n0e 1 . 18 . 2577 . 1 1 3 HIS CD2 C 4.223 2.279 3.508 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CD2 . . . . . . . . . c25522_2n0e 1 . 18 . 2578 . 1 1 3 HIS CE1 C 5.400 3.706 4.678 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CE1 . . . . . . . . . c25522_2n0e 1 . 18 . 2579 . 1 1 3 HIS CG C 3.373 3.187 4.066 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CG . . . . . . . . . c25522_2n0e 1 . 18 . 2580 . 1 1 3 HIS H H -0.152 4.862 4.307 . . . 1.0 . . . . . . . . . . . . A . 3 HIS H . . . . . . . . . c25522_2n0e 1 . 18 . 2581 . 1 1 3 HIS HA H 2.174 4.898 2.664 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HA . . . . . . . . . c25522_2n0e 1 . 18 . 2582 . 1 1 3 HIS HB2 H 1.518 3.544 4.867 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HB2 . . . . . . . . . c25522_2n0e 1 . 18 . 2583 . 1 1 3 HIS HB3 H 1.514 2.398 3.704 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HB3 . . . . . . . . . c25522_2n0e 1 . 18 . 2584 . 1 1 3 HIS HD2 H 3.970 1.509 2.922 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HD2 . . . . . . . . . c25522_2n0e 1 . 18 . 2585 . 1 1 3 HIS HE1 H 6.175 4.172 5.105 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HE1 . . . . . . . . . c25522_2n0e 1 . 18 . 2586 . 1 1 3 HIS HE2 H 6.360 2.164 3.674 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HE2 . . . . . . . . . c25522_2n0e 1 . 18 . 2587 . 1 1 3 HIS N N 0.393 5.199 3.539 . . . 1.0 . . . . . . . . . . . . A . 3 HIS N . . . . . . . . . c25522_2n0e 1 . 18 . 2588 . 1 1 3 HIS ND1 N 4.134 4.080 4.801 . . . 1.0 . . . . . . . . . . . . A . 3 HIS ND1 . . . . . . . . . c25522_2n0e 1 . 18 . 2589 . 1 1 3 HIS NE2 N 5.502 2.623 3.906 . . . 1.0 . . . . . . . . . . . . A . 3 HIS NE2 . . . . . . . . . c25522_2n0e 1 . 18 . 2590 . 1 1 3 HIS O O -0.230 3.951 1.227 . . . 1.0 . . . . . . . . . . . . A . 3 HIS O . . . . . . . . . c25522_2n0e 1 . 18 . 2591 . 1 1 4 TRP C C 0.849 0.472 0.380 . . . 1.0 . . . . . . . . . . . . A . 4 TRP C . . . . . . . . . c25522_2n0e 1 . 18 . 2592 . 1 1 4 TRP CA C 1.202 1.911 0.018 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CA . . . . . . . . . c25522_2n0e 1 . 18 . 2593 . 1 1 4 TRP CB C 2.313 1.927 -1.032 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CB . . . . . . . . . c25522_2n0e 1 . 18 . 2594 . 1 1 4 TRP CD1 C 4.566 2.275 0.139 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CD1 . . . . . . . . . c25522_2n0e 1 . 18 . 2595 . 1 1 4 TRP CD2 C 4.202 0.176 -0.549 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CD2 . . . . . . . . . c25522_2n0e 1 . 18 . 2596 . 1 1 4 TRP CE2 C 5.464 0.231 0.073 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CE2 . . . . . . . . . c25522_2n0e 1 . 18 . 2597 . 1 1 4 TRP CE3 C 3.757 -1.046 -1.062 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CE3 . . . . . . . . . c25522_2n0e 1 . 18 . 2598 . 1 1 4 TRP CG C 3.644 1.494 -0.496 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CG . . . . . . . . . c25522_2n0e 1 . 18 . 2599 . 1 1 4 TRP CH2 C 5.823 -2.071 -0.316 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CH2 . . . . . . . . . c25522_2n0e 1 . 18 . 2600 . 1 1 4 TRP CZ2 C 6.284 -0.887 0.195 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CZ2 . . . . . . . . . c25522_2n0e 1 . 18 . 2601 . 1 1 4 TRP CZ3 C 4.571 -2.155 -0.940 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CZ3 . . . . . . . . . c25522_2n0e 1 . 18 . 2602 . 1 1 4 TRP H H 2.482 2.439 1.639 . . . 1.0 . . . . . . . . . . . . A . 4 TRP H . . . . . . . . . c25522_2n0e 1 . 18 . 2603 . 1 1 4 TRP HA H 0.372 2.342 -0.336 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HA . . . . . . . . . c25522_2n0e 1 . 18 . 2604 . 1 1 4 TRP HB2 H 2.057 1.310 -1.777 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HB2 . . . . . . . . . c25522_2n0e 1 . 18 . 2605 . 1 1 4 TRP HB3 H 2.404 2.858 -1.387 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HB3 . . . . . . . . . c25522_2n0e 1 . 18 . 2606 . 1 1 4 TRP HD1 H 4.459 3.252 0.326 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HD1 . . . . . . . . . c25522_2n0e 1 . 18 . 2607 . 1 1 4 TRP HE1 H 6.476 1.862 0.958 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HE1 . . . . . . . . . c25522_2n0e 1 . 18 . 2608 . 1 1 4 TRP HE3 H 2.866 -1.117 -1.509 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HE3 . . . . . . . . . c25522_2n0e 1 . 18 . 2609 . 1 1 4 TRP HH2 H 6.388 -2.893 -0.244 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HH2 . . . . . . . . . c25522_2n0e 1 . 18 . 2610 . 1 1 4 TRP HZ2 H 7.177 -0.824 0.641 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HZ2 . . . . . . . . . c25522_2n0e 1 . 18 . 2611 . 1 1 4 TRP HZ3 H 4.261 -3.033 -1.304 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HZ3 . . . . . . . . . c25522_2n0e 1 . 18 . 2612 . 1 1 4 TRP N N 1.611 2.659 1.200 . . . 1.0 . . . . . . . . . . . . A . 4 TRP N . . . . . . . . . c25522_2n0e 1 . 18 . 2613 . 1 1 4 TRP NE1 N 5.663 1.523 0.484 . . . 1.0 . . . . . . . . . . . . A . 4 TRP NE1 . . . . . . . . . c25522_2n0e 1 . 18 . 2614 . 1 1 4 TRP O O -0.176 -0.053 -0.056 . . . 1.0 . . . . . . . . . . . . A . 4 TRP O . . . . . . . . . c25522_2n0e 1 . 18 . 2615 . 1 1 5 ALA C C 0.094 -1.705 2.213 . . . 1.0 . . . . . . . . . . . . A . 5 ALA C . . . . . . . . . c25522_2n0e 1 . 18 . 2616 . 1 1 5 ALA CA C 1.480 -1.536 1.599 . . . 1.0 . . . . . . . . . . . . A . 5 ALA CA . . . . . . . . . c25522_2n0e 1 . 18 . 2617 . 1 1 5 ALA CB C 2.553 -1.967 2.589 . . . 1.0 . . . . . . . . . . . . A . 5 ALA CB . . . . . . . . . c25522_2n0e 1 . 18 . 2618 . 1 1 5 ALA H H 2.519 0.321 1.497 . . . 1.0 . . . . . . . . . . . . A . 5 ALA H . . . . . . . . . c25522_2n0e 1 . 18 . 2619 . 1 1 5 ALA HA H 1.541 -2.126 0.794 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HA . . . . . . . . . c25522_2n0e 1 . 18 . 2620 . 1 1 5 ALA HB1 H 2.523 -1.369 3.390 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB1 . . . . . . . . . c25522_2n0e 1 . 18 . 2621 . 1 1 5 ALA HB2 H 2.392 -2.912 2.873 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB2 . . . . . . . . . c25522_2n0e 1 . 18 . 2622 . 1 1 5 ALA HB3 H 3.451 -1.897 2.154 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB3 . . . . . . . . . c25522_2n0e 1 . 18 . 2623 . 1 1 5 ALA N N 1.703 -0.160 1.178 . . . 1.0 . . . . . . . . . . . . A . 5 ALA N . . . . . . . . . c25522_2n0e 1 . 18 . 2624 . 1 1 5 ALA O O -0.494 -2.784 2.156 . . . 1.0 . . . . . . . . . . . . A . 5 ALA O . . . . . . . . . c25522_2n0e 1 . 18 . 2625 . 1 1 6 VAL C C -2.789 -1.214 2.469 . . . 1.0 . . . . . . . . . . . . A . 6 VAL C . . . . . . . . . c25522_2n0e 1 . 18 . 2626 . 1 1 6 VAL CA C -1.741 -0.659 3.424 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CA . . . . . . . . . c25522_2n0e 1 . 18 . 2627 . 1 1 6 VAL CB C -2.172 0.744 3.887 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CB . . . . . . . . . c25522_2n0e 1 . 18 . 2628 . 1 1 6 VAL CG1 C -1.220 1.276 4.947 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CG1 . . . . . . . . . c25522_2n0e 1 . 18 . 2629 . 1 1 6 VAL CG2 C -2.248 1.695 2.701 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CG2 . . . . . . . . . c25522_2n0e 1 . 18 . 2630 . 1 1 6 VAL H H 0.106 0.219 2.814 . . . 1.0 . . . . . . . . . . . . A . 6 VAL H . . . . . . . . . c25522_2n0e 1 . 18 . 2631 . 1 1 6 VAL HA H -1.691 -1.273 4.211 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HA . . . . . . . . . c25522_2n0e 1 . 18 . 2632 . 1 1 6 VAL HB H -3.075 0.660 4.308 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HB . . . . . . . . . c25522_2n0e 1 . 18 . 2633 . 1 1 6 VAL HG11 H -1.220 0.667 5.740 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG11 . . . . . . . . . c25522_2n0e 1 . 18 . 2634 . 1 1 6 VAL HG12 H -0.295 1.336 4.573 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG12 . . . . . . . . . c25522_2n0e 1 . 18 . 2635 . 1 1 6 VAL HG13 H -1.526 2.186 5.226 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG13 . . . . . . . . . c25522_2n0e 1 . 18 . 2636 . 1 1 6 VAL HG21 H -2.916 1.355 2.039 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG21 . . . . . . . . . c25522_2n0e 1 . 18 . 2637 . 1 1 6 VAL HG22 H -2.529 2.598 3.025 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG22 . . . . . . . . . c25522_2n0e 1 . 18 . 2638 . 1 1 6 VAL HG23 H -1.351 1.762 2.265 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG23 . . . . . . . . . c25522_2n0e 1 . 18 . 2639 . 1 1 6 VAL N N -0.422 -0.630 2.800 . . . 1.0 . . . . . . . . . . . . A . 6 VAL N . . . . . . . . . c25522_2n0e 1 . 18 . 2640 . 1 1 6 VAL O O -3.771 -1.821 2.892 . . . 1.0 . . . . . . . . . . . . A . 6 VAL O . . . . . . . . . c25522_2n0e 1 . 18 . 2641 . 1 1 7 GLY C C -2.861 -2.431 -0.815 . . . 1.0 . . . . . . . . . . . . A . 7 GLY C . . . . . . . . . c25522_2n0e 1 . 18 . 2642 . 1 1 7 GLY CA C -3.510 -1.486 0.176 . . . 1.0 . . . . . . . . . . . . A . 7 GLY CA . . . . . . . . . c25522_2n0e 1 . 18 . 2643 . 1 1 7 GLY H H -1.758 -0.501 0.884 . . . 1.0 . . . . . . . . . . . . A . 7 GLY H . . . . . . . . . c25522_2n0e 1 . 18 . 2644 . 1 1 7 GLY HA2 H -4.253 -1.968 0.640 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA2 . . . . . . . . . c25522_2n0e 1 . 18 . 2645 . 1 1 7 GLY HA3 H -3.882 -0.703 -0.323 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA3 . . . . . . . . . c25522_2n0e 1 . 18 . 2646 . 1 1 7 GLY N N -2.574 -1.001 1.174 . . . 1.0 . . . . . . . . . . . . A . 7 GLY N . . . . . . . . . c25522_2n0e 1 . 18 . 2647 . 1 1 7 GLY O O -3.510 -3.342 -1.332 . . . 1.0 . . . . . . . . . . . . A . 7 GLY O . . . . . . . . . c25522_2n0e 1 . 18 . 2648 . 1 1 8 HIS C C -0.466 -4.388 -1.380 . . . 1.0 . . . . . . . . . . . . A . 8 HIS C . . . . . . . . . c25522_2n0e 1 . 18 . 2649 . 1 1 8 HIS CA C -0.841 -3.055 -2.022 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CA . . . . . . . . . c25522_2n0e 1 . 18 . 2650 . 1 1 8 HIS CB C 0.418 -2.334 -2.504 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CB . . . . . . . . . c25522_2n0e 1 . 18 . 2651 . 1 1 8 HIS CD2 C -0.585 -1.579 -4.776 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CD2 . . . . . . . . . c25522_2n0e 1 . 18 . 2652 . 1 1 8 HIS CE1 C 1.210 -1.846 -6.000 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CE1 . . . . . . . . . c25522_2n0e 1 . 18 . 2653 . 1 1 8 HIS CG C 0.421 -2.033 -3.977 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CG . . . . . . . . . c25522_2n0e 1 . 18 . 2654 . 1 1 8 HIS H H -1.104 -1.458 -0.632 . . . 1.0 . . . . . . . . . . . . A . 8 HIS H . . . . . . . . . c25522_2n0e 1 . 18 . 2655 . 1 1 8 HIS HA H -1.437 -3.244 -2.803 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HA . . . . . . . . . c25522_2n0e 1 . 18 . 2656 . 1 1 8 HIS HB2 H 0.497 -1.470 -2.007 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HB2 . . . . . . . . . c25522_2n0e 1 . 18 . 2657 . 1 1 8 HIS HB3 H 1.210 -2.910 -2.300 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HB3 . . . . . . . . . c25522_2n0e 1 . 18 . 2658 . 1 1 8 HIS HD2 H -1.520 -1.367 -4.493 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HD2 . . . . . . . . . c25522_2n0e 1 . 18 . 2659 . 1 1 8 HIS HE1 H 1.829 -1.864 -6.785 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HE1 . . . . . . . . . c25522_2n0e 1 . 18 . 2660 . 1 1 8 HIS HE2 H -0.538 -1.160 -6.883 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HE2 . . . . . . . . . c25522_2n0e 1 . 18 . 2661 . 1 1 8 HIS N N -1.577 -2.215 -1.084 . . . 1.0 . . . . . . . . . . . . A . 8 HIS N . . . . . . . . . c25522_2n0e 1 . 18 . 2662 . 1 1 8 HIS ND1 N 1.547 -2.196 -4.767 . . . 1.0 . . . . . . . . . . . . A . 8 HIS ND1 . . . . . . . . . c25522_2n0e 1 . 18 . 2663 . 1 1 8 HIS NE2 N -0.067 -1.466 -6.055 . . . 1.0 . . . . . . . . . . . . A . 8 HIS NE2 . . . . . . . . . c25522_2n0e 1 . 18 . 2664 . 1 1 8 HIS O O -0.176 -5.363 -2.073 . . . 1.0 . . . . . . . . . . . . A . 8 HIS O . . . . . . . . . c25522_2n0e 1 . 18 . 2665 . 1 1 9 LEU C C -1.283 -6.059 1.593 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . c25522_2n0e 1 . 18 . 2666 . 1 1 9 LEU CA C -0.134 -5.634 0.685 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . c25522_2n0e 1 . 18 . 2667 . 1 1 9 LEU CB C 1.131 -5.413 1.514 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . c25522_2n0e 1 . 18 . 2668 . 1 1 9 LEU CD1 C 3.630 -5.333 1.709 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . c25522_2n0e 1 . 18 . 2669 . 1 1 9 LEU CD2 C 2.545 -7.064 0.266 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . c25522_2n0e 1 . 18 . 2670 . 1 1 9 LEU CG C 2.459 -5.637 0.788 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . c25522_2n0e 1 . 18 . 2671 . 1 1 9 LEU H H -0.717 -3.594 0.455 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . c25522_2n0e 1 . 18 . 2672 . 1 1 9 LEU HA H 0.029 -6.366 0.024 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . c25522_2n0e 1 . 18 . 2673 . 1 1 9 LEU HB2 H 1.120 -4.469 1.845 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . c25522_2n0e 1 . 18 . 2674 . 1 1 9 LEU HB3 H 1.100 -6.039 2.293 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . c25522_2n0e 1 . 18 . 2675 . 1 1 9 LEU HD11 H 3.581 -4.380 2.007 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . c25522_2n0e 1 . 18 . 2676 . 1 1 9 LEU HD12 H 3.592 -5.935 2.507 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . c25522_2n0e 1 . 18 . 2677 . 1 1 9 LEU HD13 H 4.488 -5.485 1.217 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . c25522_2n0e 1 . 18 . 2678 . 1 1 9 LEU HD21 H 1.788 -7.226 -0.367 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . c25522_2n0e 1 . 18 . 2679 . 1 1 9 LEU HD22 H 3.413 -7.209 -0.208 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . c25522_2n0e 1 . 18 . 2680 . 1 1 9 LEU HD23 H 2.476 -7.698 1.037 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . c25522_2n0e 1 . 18 . 2681 . 1 1 9 LEU HG H 2.502 -5.034 -0.009 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . c25522_2n0e 1 . 18 . 2682 . 1 1 9 LEU N N -0.473 -4.421 -0.052 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . c25522_2n0e 1 . 18 . 2683 . 1 1 9 LEU O O -1.954 -7.058 1.335 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . c25522_2n0e 1 . 18 . 2684 . 1 1 10 MET C C -3.804 -4.728 3.317 . . . 1.0 . . . . . . . . . . . . A . 10 MET C . . . . . . . . . c25522_2n0e 1 . 18 . 2685 . 1 1 10 MET CA C -2.578 -5.588 3.599 . . . 1.0 . . . . . . . . . . . . A . 10 MET CA . . . . . . . . . c25522_2n0e 1 . 18 . 2686 . 1 1 10 MET CB C -2.099 -5.359 5.035 . . . 1.0 . . . . . . . . . . . . A . 10 MET CB . . . . . . . . . c25522_2n0e 1 . 18 . 2687 . 1 1 10 MET CE C 0.491 -2.929 6.294 . . . 1.0 . . . . . . . . . . . . A . 10 MET CE . . . . . . . . . c25522_2n0e 1 . 18 . 2688 . 1 1 10 MET CG C -1.948 -3.890 5.397 . . . 1.0 . . . . . . . . . . . . A . 10 MET CG . . . . . . . . . c25522_2n0e 1 . 18 . 2689 . 1 1 10 MET H H -0.926 -4.494 2.811 . . . 1.0 . . . . . . . . . . . . A . 10 MET H . . . . . . . . . c25522_2n0e 1 . 18 . 2690 . 1 1 10 MET HA H -2.841 -6.545 3.474 . . . 1.0 . . . . . . . . . . . . A . 10 MET HA . . . . . . . . . c25522_2n0e 1 . 18 . 2691 . 1 1 10 MET HB2 H -2.761 -5.772 5.660 . . . 1.0 . . . . . . . . . . . . A . 10 MET HB2 . . . . . . . . . c25522_2n0e 1 . 18 . 2692 . 1 1 10 MET HB3 H -1.211 -5.805 5.148 . . . 1.0 . . . . . . . . . . . . A . 10 MET HB3 . . . . . . . . . c25522_2n0e 1 . 18 . 2693 . 1 1 10 MET HE1 H 0.920 -3.574 5.662 . . . 1.0 . . . . . . . . . . . . A . 10 MET HE1 . . . . . . . . . c25522_2n0e 1 . 18 . 2694 . 1 1 10 MET HE2 H 0.277 -2.081 5.810 . . . 1.0 . . . . . . . . . . . . A . 10 MET HE2 . . . . . . . . . c25522_2n0e 1 . 18 . 2695 . 1 1 10 MET HE3 H 1.119 -2.734 7.047 . . . 1.0 . . . . . . . . . . . . A . 10 MET HE3 . . . . . . . . . c25522_2n0e 1 . 18 . 2696 . 1 1 10 MET HG2 H -1.470 -3.429 4.649 . . . 1.0 . . . . . . . . . . . . A . 10 MET HG2 . . . . . . . . . c25522_2n0e 1 . 18 . 2697 . 1 1 10 MET HG3 H -2.861 -3.496 5.501 . . . 1.0 . . . . . . . . . . . . A . 10 MET HG3 . . . . . . . . . c25522_2n0e 1 . 18 . 2698 . 1 1 10 MET N N -1.507 -5.293 2.655 . . . 1.0 . . . . . . . . . . . . A . 10 MET N . . . . . . . . . c25522_2n0e 1 . 18 . 2699 . 1 1 10 MET O O -4.815 -4.820 4.017 . . . 1.0 . . . . . . . . . . . . A . 10 MET O . . . . . . . . . c25522_2n0e 1 . 18 . 2700 . 1 1 10 MET SD S -1.024 -3.644 6.926 . . . 1.0 . . . . . . . . . . . . A . 10 MET SD . . . . . . . . . c25522_2n0e 1 . 19 . 2701 . 1 1 1 GLY C C -0.785 9.663 3.771 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c25522_2n0e 1 . 19 . 2702 . 1 1 1 GLY CA C -1.004 10.955 3.009 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c25522_2n0e 1 . 19 . 2703 . 1 1 1 GLY H1 H -2.921 10.608 2.482 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c25522_2n0e 1 . 19 . 2704 . 1 1 1 GLY H2 H -2.170 11.719 1.550 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H2 . . . . . . . . . c25522_2n0e 1 . 19 . 2705 . 1 1 1 GLY H3 H -1.831 10.132 1.362 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H3 . . . . . . . . . c25522_2n0e 1 . 19 . 2706 . 1 1 1 GLY HA2 H -0.155 11.199 2.541 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c25522_2n0e 1 . 19 . 2707 . 1 1 1 GLY HA3 H -1.244 11.675 3.660 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c25522_2n0e 1 . 19 . 2708 . 1 1 1 GLY N N -2.064 10.845 2.024 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c25522_2n0e 1 . 19 . 2709 . 1 1 1 GLY O O -0.352 9.680 4.923 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c25522_2n0e 1 . 19 . 2710 . 1 1 2 ASN C C 0.158 6.421 3.042 . . . 1.0 . . . . . . . . . . . . A . 2 ASN C . . . . . . . . . c25522_2n0e 1 . 19 . 2711 . 1 1 2 ASN CA C -0.920 7.233 3.753 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CA . . . . . . . . . c25522_2n0e 1 . 19 . 2712 . 1 1 2 ASN CB C -2.244 6.466 3.738 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CB . . . . . . . . . c25522_2n0e 1 . 19 . 2713 . 1 1 2 ASN CG C -3.080 6.733 4.976 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CG . . . . . . . . . c25522_2n0e 1 . 19 . 2714 . 1 1 2 ASN H H -1.430 8.592 2.191 . . . 1.0 . . . . . . . . . . . . A . 2 ASN H . . . . . . . . . c25522_2n0e 1 . 19 . 2715 . 1 1 2 ASN HA H -0.592 7.396 4.684 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HA . . . . . . . . . c25522_2n0e 1 . 19 . 2716 . 1 1 2 ASN HB2 H -2.766 6.743 2.931 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HB2 . . . . . . . . . c25522_2n0e 1 . 19 . 2717 . 1 1 2 ASN HB3 H -2.047 5.487 3.688 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HB3 . . . . . . . . . c25522_2n0e 1 . 19 . 2718 . 1 1 2 ASN HD21 H -3.046 8.723 4.616 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HD21 . . . . . . . . . c25522_2n0e 1 . 19 . 2719 . 1 1 2 ASN HD22 H -3.921 8.240 6.030 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HD22 . . . . . . . . . c25522_2n0e 1 . 19 . 2720 . 1 1 2 ASN N N -1.084 8.540 3.128 . . . 1.0 . . . . . . . . . . . . A . 2 ASN N . . . . . . . . . c25522_2n0e 1 . 19 . 2721 . 1 1 2 ASN ND2 N -3.373 8.003 5.228 . . . 1.0 . . . . . . . . . . . . A . 2 ASN ND2 . . . . . . . . . c25522_2n0e 1 . 19 . 2722 . 1 1 2 ASN O O 0.755 6.881 2.068 . . . 1.0 . . . . . . . . . . . . A . 2 ASN O . . . . . . . . . c25522_2n0e 1 . 19 . 2723 . 1 1 2 ASN OD1 O -3.456 5.807 5.695 . . . 1.0 . . . . . . . . . . . . A . 2 ASN OD1 . . . . . . . . . c25522_2n0e 1 . 19 . 2724 . 1 1 3 HIS C C 0.858 3.632 1.708 . . . 1.0 . . . . . . . . . . . . A . 3 HIS C . . . . . . . . . c25522_2n0e 1 . 19 . 2725 . 1 1 3 HIS CA C 1.408 4.334 2.946 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CA . . . . . . . . . c25522_2n0e 1 . 19 . 2726 . 1 1 3 HIS CB C 1.875 3.296 3.967 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CB . . . . . . . . . c25522_2n0e 1 . 19 . 2727 . 1 1 3 HIS CD2 C 4.234 2.313 3.509 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CD2 . . . . . . . . . c25522_2n0e 1 . 19 . 2728 . 1 1 3 HIS CE1 C 5.386 3.711 4.741 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CE1 . . . . . . . . . c25522_2n0e 1 . 19 . 2729 . 1 1 3 HIS CG C 3.371 3.197 4.083 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CG . . . . . . . . . c25522_2n0e 1 . 19 . 2730 . 1 1 3 HIS H H -0.117 4.893 4.329 . . . 1.0 . . . . . . . . . . . . A . 3 HIS H . . . . . . . . . c25522_2n0e 1 . 19 . 2731 . 1 1 3 HIS HA H 2.184 4.898 2.663 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HA . . . . . . . . . c25522_2n0e 1 . 19 . 2732 . 1 1 3 HIS HB2 H 1.505 3.543 4.863 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HB2 . . . . . . . . . c25522_2n0e 1 . 19 . 2733 . 1 1 3 HIS HB3 H 1.520 2.401 3.695 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HB3 . . . . . . . . . c25522_2n0e 1 . 19 . 2734 . 1 1 3 HIS HD2 H 3.995 1.561 2.895 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HD2 . . . . . . . . . c25522_2n0e 1 . 19 . 2735 . 1 1 3 HIS HE1 H 6.151 4.168 5.194 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HE1 . . . . . . . . . c25522_2n0e 1 . 19 . 2736 . 1 1 3 HIS HE2 H 6.371 2.206 3.702 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HE2 . . . . . . . . . c25522_2n0e 1 . 19 . 2737 . 1 1 3 HIS N N 0.402 5.210 3.535 . . . 1.0 . . . . . . . . . . . . A . 3 HIS N . . . . . . . . . c25522_2n0e 1 . 19 . 2738 . 1 1 3 HIS ND1 N 4.116 4.072 4.857 . . . 1.0 . . . . . . . . . . . . A . 3 HIS ND1 . . . . . . . . . c25522_2n0e 1 . 19 . 2739 . 1 1 3 HIS NE2 N 5.507 2.652 3.936 . . . 1.0 . . . . . . . . . . . . A . 3 HIS NE2 . . . . . . . . . c25522_2n0e 1 . 19 . 2740 . 1 1 3 HIS O O -0.221 3.967 1.220 . . . 1.0 . . . . . . . . . . . . A . 3 HIS O . . . . . . . . . c25522_2n0e 1 . 19 . 2741 . 1 1 4 TRP C C 0.846 0.471 0.383 . . . 1.0 . . . . . . . . . . . . A . 4 TRP C . . . . . . . . . c25522_2n0e 1 . 19 . 2742 . 1 1 4 TRP CA C 1.196 1.910 0.021 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CA . . . . . . . . . c25522_2n0e 1 . 19 . 2743 . 1 1 4 TRP CB C 2.305 1.929 -1.032 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CB . . . . . . . . . c25522_2n0e 1 . 19 . 2744 . 1 1 4 TRP CD1 C 4.564 2.291 0.123 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CD1 . . . . . . . . . c25522_2n0e 1 . 19 . 2745 . 1 1 4 TRP CD2 C 4.197 0.184 -0.539 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CD2 . . . . . . . . . c25522_2n0e 1 . 19 . 2746 . 1 1 4 TRP CE2 C 5.462 0.247 0.075 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CE2 . . . . . . . . . c25522_2n0e 1 . 19 . 2747 . 1 1 4 TRP CE3 C 3.750 -1.043 -1.035 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CE3 . . . . . . . . . c25522_2n0e 1 . 19 . 2748 . 1 1 4 TRP CG C 3.639 1.502 -0.498 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CG . . . . . . . . . c25522_2n0e 1 . 19 . 2749 . 1 1 4 TRP CH2 C 5.820 -2.059 -0.289 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CH2 . . . . . . . . . c25522_2n0e 1 . 19 . 2750 . 1 1 4 TRP CZ2 C 6.283 -0.870 0.206 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CZ2 . . . . . . . . . c25522_2n0e 1 . 19 . 2751 . 1 1 4 TRP CZ3 C 4.566 -2.151 -0.905 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CZ3 . . . . . . . . . c25522_2n0e 1 . 19 . 2752 . 1 1 4 TRP H H 2.476 2.434 1.646 . . . 1.0 . . . . . . . . . . . . A . 4 TRP H . . . . . . . . . c25522_2n0e 1 . 19 . 2753 . 1 1 4 TRP HA H 0.364 2.340 -0.330 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HA . . . . . . . . . c25522_2n0e 1 . 19 . 2754 . 1 1 4 TRP HB2 H 2.050 1.310 -1.775 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HB2 . . . . . . . . . c25522_2n0e 1 . 19 . 2755 . 1 1 4 TRP HB3 H 2.391 2.859 -1.388 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HB3 . . . . . . . . . c25522_2n0e 1 . 19 . 2756 . 1 1 4 TRP HD1 H 4.458 3.270 0.299 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HD1 . . . . . . . . . c25522_2n0e 1 . 19 . 2757 . 1 1 4 TRP HE1 H 6.479 1.888 0.937 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HE1 . . . . . . . . . c25522_2n0e 1 . 19 . 2758 . 1 1 4 TRP HE3 H 2.856 -1.120 -1.476 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HE3 . . . . . . . . . c25522_2n0e 1 . 19 . 2759 . 1 1 4 TRP HH2 H 6.386 -2.879 -0.210 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HH2 . . . . . . . . . c25522_2n0e 1 . 19 . 2760 . 1 1 4 TRP HZ2 H 7.178 -0.801 0.647 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HZ2 . . . . . . . . . c25522_2n0e 1 . 19 . 2761 . 1 1 4 TRP HZ3 H 4.254 -3.033 -1.257 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HZ3 . . . . . . . . . c25522_2n0e 1 . 19 . 2762 . 1 1 4 TRP N N 1.608 2.659 1.204 . . . 1.0 . . . . . . . . . . . . A . 4 TRP N . . . . . . . . . c25522_2n0e 1 . 19 . 2763 . 1 1 4 TRP NE1 N 5.664 1.544 0.471 . . . 1.0 . . . . . . . . . . . . A . 4 TRP NE1 . . . . . . . . . c25522_2n0e 1 . 19 . 2764 . 1 1 4 TRP O O -0.177 -0.056 -0.053 . . . 1.0 . . . . . . . . . . . . A . 4 TRP O . . . . . . . . . c25522_2n0e 1 . 19 . 2765 . 1 1 5 ALA C C 0.094 -1.707 2.215 . . . 1.0 . . . . . . . . . . . . A . 5 ALA C . . . . . . . . . c25522_2n0e 1 . 19 . 2766 . 1 1 5 ALA CA C 1.480 -1.537 1.603 . . . 1.0 . . . . . . . . . . . . A . 5 ALA CA . . . . . . . . . c25522_2n0e 1 . 19 . 2767 . 1 1 5 ALA CB C 2.552 -1.965 2.593 . . . 1.0 . . . . . . . . . . . . A . 5 ALA CB . . . . . . . . . c25522_2n0e 1 . 19 . 2768 . 1 1 5 ALA H H 2.516 0.325 1.500 . . . 1.0 . . . . . . . . . . . . A . 5 ALA H . . . . . . . . . c25522_2n0e 1 . 19 . 2769 . 1 1 5 ALA HA H 1.543 -2.127 0.798 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HA . . . . . . . . . c25522_2n0e 1 . 19 . 2770 . 1 1 5 ALA HB1 H 2.520 -1.367 3.394 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB1 . . . . . . . . . c25522_2n0e 1 . 19 . 2771 . 1 1 5 ALA HB2 H 2.392 -2.911 2.876 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB2 . . . . . . . . . c25522_2n0e 1 . 19 . 2772 . 1 1 5 ALA HB3 H 3.450 -1.894 2.159 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB3 . . . . . . . . . c25522_2n0e 1 . 19 . 2773 . 1 1 5 ALA N N 1.701 -0.158 1.181 . . . 1.0 . . . . . . . . . . . . A . 5 ALA N . . . . . . . . . c25522_2n0e 1 . 19 . 2774 . 1 1 5 ALA O O -0.493 -2.788 2.157 . . . 1.0 . . . . . . . . . . . . A . 5 ALA O . . . . . . . . . c25522_2n0e 1 . 19 . 2775 . 1 1 6 VAL C C -2.790 -1.219 2.468 . . . 1.0 . . . . . . . . . . . . A . 6 VAL C . . . . . . . . . c25522_2n0e 1 . 19 . 2776 . 1 1 6 VAL CA C -1.744 -0.664 3.426 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CA . . . . . . . . . c25522_2n0e 1 . 19 . 2777 . 1 1 6 VAL CB C -2.176 0.738 3.890 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CB . . . . . . . . . c25522_2n0e 1 . 19 . 2778 . 1 1 6 VAL CG1 C -1.223 1.271 4.948 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CG1 . . . . . . . . . c25522_2n0e 1 . 19 . 2779 . 1 1 6 VAL CG2 C -2.258 1.689 2.706 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CG2 . . . . . . . . . c25522_2n0e 1 . 19 . 2780 . 1 1 6 VAL H H 0.104 0.215 2.819 . . . 1.0 . . . . . . . . . . . . A . 6 VAL H . . . . . . . . . c25522_2n0e 1 . 19 . 2781 . 1 1 6 VAL HA H -1.695 -1.279 4.213 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HA . . . . . . . . . c25522_2n0e 1 . 19 . 2782 . 1 1 6 VAL HB H -3.078 0.653 4.312 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HB . . . . . . . . . c25522_2n0e 1 . 19 . 2783 . 1 1 6 VAL HG11 H -0.298 1.332 4.572 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG11 . . . . . . . . . c25522_2n0e 1 . 19 . 2784 . 1 1 6 VAL HG12 H -1.530 2.181 5.228 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG12 . . . . . . . . . c25522_2n0e 1 . 19 . 2785 . 1 1 6 VAL HG13 H -1.221 0.661 5.741 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG13 . . . . . . . . . c25522_2n0e 1 . 19 . 2786 . 1 1 6 VAL HG21 H -2.928 1.348 2.046 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG21 . . . . . . . . . c25522_2n0e 1 . 19 . 2787 . 1 1 6 VAL HG22 H -2.540 2.592 3.031 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG22 . . . . . . . . . c25522_2n0e 1 . 19 . 2788 . 1 1 6 VAL HG23 H -1.362 1.758 2.267 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG23 . . . . . . . . . c25522_2n0e 1 . 19 . 2789 . 1 1 6 VAL N N -0.424 -0.634 2.803 . . . 1.0 . . . . . . . . . . . . A . 6 VAL N . . . . . . . . . c25522_2n0e 1 . 19 . 2790 . 1 1 6 VAL O O -3.772 -1.827 2.890 . . . 1.0 . . . . . . . . . . . . A . 6 VAL O . . . . . . . . . c25522_2n0e 1 . 19 . 2791 . 1 1 7 GLY C C -2.860 -2.436 -0.815 . . . 1.0 . . . . . . . . . . . . A . 7 GLY C . . . . . . . . . c25522_2n0e 1 . 19 . 2792 . 1 1 7 GLY CA C -3.509 -1.489 0.175 . . . 1.0 . . . . . . . . . . . . A . 7 GLY CA . . . . . . . . . c25522_2n0e 1 . 19 . 2793 . 1 1 7 GLY H H -1.759 -0.504 0.885 . . . 1.0 . . . . . . . . . . . . A . 7 GLY H . . . . . . . . . c25522_2n0e 1 . 19 . 2794 . 1 1 7 GLY HA2 H -4.254 -1.970 0.638 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA2 . . . . . . . . . c25522_2n0e 1 . 19 . 2795 . 1 1 7 GLY HA3 H -3.878 -0.706 -0.325 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA3 . . . . . . . . . c25522_2n0e 1 . 19 . 2796 . 1 1 7 GLY N N -2.575 -1.005 1.174 . . . 1.0 . . . . . . . . . . . . A . 7 GLY N . . . . . . . . . c25522_2n0e 1 . 19 . 2797 . 1 1 7 GLY O O -3.506 -3.353 -1.323 . . . 1.0 . . . . . . . . . . . . A . 7 GLY O . . . . . . . . . c25522_2n0e 1 . 19 . 2798 . 1 1 8 HIS C C -0.465 -4.385 -1.383 . . . 1.0 . . . . . . . . . . . . A . 8 HIS C . . . . . . . . . c25522_2n0e 1 . 19 . 2799 . 1 1 8 HIS CA C -0.843 -3.055 -2.028 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CA . . . . . . . . . c25522_2n0e 1 . 19 . 2800 . 1 1 8 HIS CB C 0.415 -2.334 -2.513 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CB . . . . . . . . . c25522_2n0e 1 . 19 . 2801 . 1 1 8 HIS CD2 C -0.627 -1.711 -4.808 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CD2 . . . . . . . . . c25522_2n0e 1 . 19 . 2802 . 1 1 8 HIS CE1 C 1.218 -1.722 -5.988 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CE1 . . . . . . . . . c25522_2n0e 1 . 19 . 2803 . 1 1 8 HIS CG C 0.412 -2.027 -3.985 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CG . . . . . . . . . c25522_2n0e 1 . 19 . 2804 . 1 1 8 HIS H H -1.107 -1.452 -0.645 . . . 1.0 . . . . . . . . . . . . A . 8 HIS H . . . . . . . . . c25522_2n0e 1 . 19 . 2805 . 1 1 8 HIS HA H -1.440 -3.247 -2.807 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HA . . . . . . . . . c25522_2n0e 1 . 19 . 2806 . 1 1 8 HIS HB2 H 0.498 -1.472 -2.013 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HB2 . . . . . . . . . c25522_2n0e 1 . 19 . 2807 . 1 1 8 HIS HB3 H 1.207 -2.912 -2.315 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HB3 . . . . . . . . . c25522_2n0e 1 . 19 . 2808 . 1 1 8 HIS HD2 H -1.589 -1.632 -4.548 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HD2 . . . . . . . . . c25522_2n0e 1 . 19 . 2809 . 1 1 8 HIS HE1 H 1.853 -1.651 -6.758 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HE1 . . . . . . . . . c25522_2n0e 1 . 19 . 2810 . 1 1 8 HIS HE2 H -0.590 -1.276 -6.910 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HE2 . . . . . . . . . c25522_2n0e 1 . 19 . 2811 . 1 1 8 HIS N N -1.578 -2.214 -1.091 . . . 1.0 . . . . . . . . . . . . A . 8 HIS N . . . . . . . . . c25522_2n0e 1 . 19 . 2812 . 1 1 8 HIS ND1 N 1.568 -2.029 -4.747 . . . 1.0 . . . . . . . . . . . . A . 8 HIS ND1 . . . . . . . . . c25522_2n0e 1 . 19 . 2813 . 1 1 8 HIS NE2 N -0.100 -1.520 -6.073 . . . 1.0 . . . . . . . . . . . . A . 8 HIS NE2 . . . . . . . . . c25522_2n0e 1 . 19 . 2814 . 1 1 8 HIS O O -0.171 -5.361 -2.075 . . . 1.0 . . . . . . . . . . . . A . 8 HIS O . . . . . . . . . c25522_2n0e 1 . 19 . 2815 . 1 1 9 LEU C C -1.276 -6.048 1.599 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . c25522_2n0e 1 . 19 . 2816 . 1 1 9 LEU CA C -0.131 -5.627 0.684 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . c25522_2n0e 1 . 19 . 2817 . 1 1 9 LEU CB C 1.140 -5.405 1.506 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . c25522_2n0e 1 . 19 . 2818 . 1 1 9 LEU CD1 C 3.638 -5.323 1.685 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . c25522_2n0e 1 . 19 . 2819 . 1 1 9 LEU CD2 C 2.547 -7.055 0.249 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . c25522_2n0e 1 . 19 . 2820 . 1 1 9 LEU CG C 2.462 -5.629 0.772 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . c25522_2n0e 1 . 19 . 2821 . 1 1 9 LEU H H -0.722 -3.590 0.451 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . c25522_2n0e 1 . 19 . 2822 . 1 1 9 LEU HA H 0.028 -6.362 0.024 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . c25522_2n0e 1 . 19 . 2823 . 1 1 9 LEU HB2 H 1.130 -4.461 1.836 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . c25522_2n0e 1 . 19 . 2824 . 1 1 9 LEU HB3 H 1.114 -6.031 2.286 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . c25522_2n0e 1 . 19 . 2825 . 1 1 9 LEU HD11 H 3.590 -4.369 1.983 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . c25522_2n0e 1 . 19 . 2826 . 1 1 9 LEU HD12 H 3.606 -5.924 2.484 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . c25522_2n0e 1 . 19 . 2827 . 1 1 9 LEU HD13 H 4.492 -5.475 1.188 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . c25522_2n0e 1 . 19 . 2828 . 1 1 9 LEU HD21 H 1.786 -7.217 -0.379 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . c25522_2n0e 1 . 19 . 2829 . 1 1 9 LEU HD22 H 3.412 -7.200 -0.231 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . c25522_2n0e 1 . 19 . 2830 . 1 1 9 LEU HD23 H 2.483 -7.689 1.020 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . c25522_2n0e 1 . 19 . 2831 . 1 1 9 LEU HG H 2.500 -5.027 -0.026 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . c25522_2n0e 1 . 19 . 2832 . 1 1 9 LEU N N -0.474 -4.416 -0.055 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . c25522_2n0e 1 . 19 . 2833 . 1 1 9 LEU O O -1.981 -7.018 1.322 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . c25522_2n0e 1 . 19 . 2834 . 1 1 10 MET C C -3.649 -4.589 3.532 . . . 1.0 . . . . . . . . . . . . A . 10 MET C . . . . . . . . . c25522_2n0e 1 . 19 . 2835 . 1 1 10 MET CA C -2.518 -5.606 3.645 . . . 1.0 . . . . . . . . . . . . A . 10 MET CA . . . . . . . . . c25522_2n0e 1 . 19 . 2836 . 1 1 10 MET CB C -1.963 -5.612 5.071 . . . 1.0 . . . . . . . . . . . . A . 10 MET CB . . . . . . . . . c25522_2n0e 1 . 19 . 2837 . 1 1 10 MET CE C 1.085 -3.987 6.208 . . . 1.0 . . . . . . . . . . . . A . 10 MET CE . . . . . . . . . c25522_2n0e 1 . 19 . 2838 . 1 1 10 MET CG C -1.605 -4.229 5.590 . . . 1.0 . . . . . . . . . . . . A . 10 MET CG . . . . . . . . . c25522_2n0e 1 . 19 . 2839 . 1 1 10 MET H H -0.848 -4.535 2.860 . . . 1.0 . . . . . . . . . . . . A . 10 MET H . . . . . . . . . c25522_2n0e 1 . 19 . 2840 . 1 1 10 MET HA H -2.892 -6.505 3.419 . . . 1.0 . . . . . . . . . . . . A . 10 MET HA . . . . . . . . . c25522_2n0e 1 . 19 . 2841 . 1 1 10 MET HB2 H -2.652 -6.008 5.678 . . . 1.0 . . . . . . . . . . . . A . 10 MET HB2 . . . . . . . . . c25522_2n0e 1 . 19 . 2842 . 1 1 10 MET HB3 H -1.139 -6.179 5.088 . . . 1.0 . . . . . . . . . . . . A . 10 MET HB3 . . . . . . . . . c25522_2n0e 1 . 19 . 2843 . 1 1 10 MET HE1 H 1.252 -4.705 5.532 . . . 1.0 . . . . . . . . . . . . A . 10 MET HE1 . . . . . . . . . c25522_2n0e 1 . 19 . 2844 . 1 1 10 MET HE2 H 1.058 -3.098 5.750 . . . 1.0 . . . . . . . . . . . . A . 10 MET HE2 . . . . . . . . . c25522_2n0e 1 . 19 . 2845 . 1 1 10 MET HE3 H 1.820 -3.990 6.886 . . . 1.0 . . . . . . . . . . . . A . 10 MET HE3 . . . . . . . . . c25522_2n0e 1 . 19 . 2846 . 1 1 10 MET HG2 H -1.166 -3.719 4.850 . . . 1.0 . . . . . . . . . . . . A . 10 MET HG2 . . . . . . . . . c25522_2n0e 1 . 19 . 2847 . 1 1 10 MET HG3 H -2.449 -3.766 5.859 . . . 1.0 . . . . . . . . . . . . A . 10 MET HG3 . . . . . . . . . c25522_2n0e 1 . 19 . 2848 . 1 1 10 MET N N -1.456 -5.311 2.690 . . . 1.0 . . . . . . . . . . . . A . 10 MET N . . . . . . . . . c25522_2n0e 1 . 19 . 2849 . 1 1 10 MET O O -4.814 -4.957 3.376 . . . 1.0 . . . . . . . . . . . . A . 10 MET O . . . . . . . . . c25522_2n0e 1 . 19 . 2850 . 1 1 10 MET SD S -0.490 -4.286 7.005 . . . 1.0 . . . . . . . . . . . . A . 10 MET SD . . . . . . . . . c25522_2n0e 1 . 20 . 2851 . 1 1 1 GLY C C -0.569 9.645 3.822 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c25522_2n0e 1 . 20 . 2852 . 1 1 1 GLY CA C -0.774 10.965 3.106 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c25522_2n0e 1 . 20 . 2853 . 1 1 1 GLY H1 H -0.868 10.219 1.234 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c25522_2n0e 1 . 20 . 2854 . 1 1 1 GLY H2 H -0.500 11.809 1.294 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H2 . . . . . . . . . c25522_2n0e 1 . 20 . 2855 . 1 1 1 GLY H3 H 0.629 10.694 1.681 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H3 . . . . . . . . . c25522_2n0e 1 . 20 . 2856 . 1 1 1 GLY HA2 H -0.250 11.672 3.580 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c25522_2n0e 1 . 20 . 2857 . 1 1 1 GLY HA3 H -1.746 11.197 3.133 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c25522_2n0e 1 . 20 . 2858 . 1 1 1 GLY N N -0.345 10.918 1.721 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c25522_2n0e 1 . 20 . 2859 . 1 1 1 GLY O O 0.002 9.604 4.911 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c25522_2n0e 1 . 20 . 2860 . 1 1 2 ASN C C 0.184 6.432 3.085 . . . 1.0 . . . . . . . . . . . . A . 2 ASN C . . . . . . . . . c25522_2n0e 1 . 20 . 2861 . 1 1 2 ASN CA C -0.902 7.233 3.796 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CA . . . . . . . . . c25522_2n0e 1 . 20 . 2862 . 1 1 2 ASN CB C -2.235 6.485 3.724 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CB . . . . . . . . . c25522_2n0e 1 . 20 . 2863 . 1 1 2 ASN CG C -3.092 6.712 4.954 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CG . . . . . . . . . c25522_2n0e 1 . 20 . 2864 . 1 1 2 ASN H H -1.490 8.661 2.324 . . . 1.0 . . . . . . . . . . . . A . 2 ASN H . . . . . . . . . c25522_2n0e 1 . 20 . 2865 . 1 1 2 ASN HA H -0.595 7.362 4.739 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HA . . . . . . . . . c25522_2n0e 1 . 20 . 2866 . 1 1 2 ASN HB2 H -2.737 6.801 2.919 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HB2 . . . . . . . . . c25522_2n0e 1 . 20 . 2867 . 1 1 2 ASN HB3 H -2.049 5.506 3.637 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HB3 . . . . . . . . . c25522_2n0e 1 . 20 . 2868 . 1 1 2 ASN HD21 H -3.531 8.592 4.348 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HD21 . . . . . . . . . c25522_2n0e 1 . 20 . 2869 . 1 1 2 ASN HD22 H -4.250 8.110 5.849 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HD22 . . . . . . . . . c25522_2n0e 1 . 20 . 2870 . 1 1 2 ASN N N -1.036 8.562 3.209 . . . 1.0 . . . . . . . . . . . . A . 2 ASN N . . . . . . . . . c25522_2n0e 1 . 20 . 2871 . 1 1 2 ASN ND2 N -3.672 7.903 5.059 . . . 1.0 . . . . . . . . . . . . A . 2 ASN ND2 . . . . . . . . . c25522_2n0e 1 . 20 . 2872 . 1 1 2 ASN O O 0.815 6.917 2.145 . . . 1.0 . . . . . . . . . . . . A . 2 ASN O . . . . . . . . . c25522_2n0e 1 . 20 . 2873 . 1 1 2 ASN OD1 O -3.232 5.828 5.799 . . . 1.0 . . . . . . . . . . . . A . 2 ASN OD1 . . . . . . . . . c25522_2n0e 1 . 20 . 2874 . 1 1 3 HIS C C 0.855 3.626 1.709 . . . 1.0 . . . . . . . . . . . . A . 3 HIS C . . . . . . . . . c25522_2n0e 1 . 20 . 2875 . 1 1 3 HIS CA C 1.405 4.329 2.946 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CA . . . . . . . . . c25522_2n0e 1 . 20 . 2876 . 1 1 3 HIS CB C 1.880 3.293 3.965 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CB . . . . . . . . . c25522_2n0e 1 . 20 . 2877 . 1 1 3 HIS CD2 C 4.219 2.278 3.470 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CD2 . . . . . . . . . c25522_2n0e 1 . 20 . 2878 . 1 1 3 HIS CE1 C 5.411 3.675 4.663 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CE1 . . . . . . . . . c25522_2n0e 1 . 20 . 2879 . 1 1 3 HIS CG C 3.378 3.179 4.052 . . . 1.0 . . . . . . . . . . . . A . 3 HIS CG . . . . . . . . . c25522_2n0e 1 . 20 . 2880 . 1 1 3 HIS H H -0.150 4.864 4.306 . . . 1.0 . . . . . . . . . . . . A . 3 HIS H . . . . . . . . . c25522_2n0e 1 . 20 . 2881 . 1 1 3 HIS HA H 2.178 4.897 2.662 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HA . . . . . . . . . c25522_2n0e 1 . 20 . 2882 . 1 1 3 HIS HB2 H 1.531 3.550 4.866 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HB2 . . . . . . . . . c25522_2n0e 1 . 20 . 2883 . 1 1 3 HIS HB3 H 1.511 2.400 3.707 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HB3 . . . . . . . . . c25522_2n0e 1 . 20 . 2884 . 1 1 3 HIS HD2 H 3.958 1.522 2.870 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HD2 . . . . . . . . . c25522_2n0e 1 . 20 . 2885 . 1 1 3 HIS HE1 H 6.191 4.127 5.096 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HE1 . . . . . . . . . c25522_2n0e 1 . 20 . 2886 . 1 1 3 HIS HE2 H 6.357 2.149 3.619 . . . 1.0 . . . . . . . . . . . . A . 3 HIS HE2 . . . . . . . . . c25522_2n0e 1 . 20 . 2887 . 1 1 3 HIS N N 0.396 5.201 3.539 . . . 1.0 . . . . . . . . . . . . A . 3 HIS N . . . . . . . . . c25522_2n0e 1 . 20 . 2888 . 1 1 3 HIS ND1 N 4.148 4.053 4.801 . . . 1.0 . . . . . . . . . . . . A . 3 HIS ND1 . . . . . . . . . c25522_2n0e 1 . 20 . 2889 . 1 1 3 HIS NE2 N 5.503 2.607 3.867 . . . 1.0 . . . . . . . . . . . . A . 3 HIS NE2 . . . . . . . . . c25522_2n0e 1 . 20 . 2890 . 1 1 3 HIS O O -0.229 3.954 1.228 . . . 1.0 . . . . . . . . . . . . A . 3 HIS O . . . . . . . . . c25522_2n0e 1 . 20 . 2891 . 1 1 4 TRP C C 0.847 0.472 0.381 . . . 1.0 . . . . . . . . . . . . A . 4 TRP C . . . . . . . . . c25522_2n0e 1 . 20 . 2892 . 1 1 4 TRP CA C 1.199 1.910 0.018 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CA . . . . . . . . . c25522_2n0e 1 . 20 . 2893 . 1 1 4 TRP CB C 2.310 1.928 -1.033 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CB . . . . . . . . . c25522_2n0e 1 . 20 . 2894 . 1 1 4 TRP CD1 C 4.564 2.275 0.133 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CD1 . . . . . . . . . c25522_2n0e 1 . 20 . 2895 . 1 1 4 TRP CD2 C 4.197 0.175 -0.552 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CD2 . . . . . . . . . c25522_2n0e 1 . 20 . 2896 . 1 1 4 TRP CE2 C 5.460 0.230 0.067 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CE2 . . . . . . . . . c25522_2n0e 1 . 20 . 2897 . 1 1 4 TRP CE3 C 3.750 -1.048 -1.063 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CE3 . . . . . . . . . c25522_2n0e 1 . 20 . 2898 . 1 1 4 TRP CG C 3.641 1.493 -0.499 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CG . . . . . . . . . c25522_2n0e 1 . 20 . 2899 . 1 1 4 TRP CH2 C 5.816 -2.073 -0.320 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CH2 . . . . . . . . . c25522_2n0e 1 . 20 . 2900 . 1 1 4 TRP CZ2 C 6.279 -0.890 0.188 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CZ2 . . . . . . . . . c25522_2n0e 1 . 20 . 2901 . 1 1 4 TRP CZ3 C 4.563 -2.158 -0.942 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CZ3 . . . . . . . . . c25522_2n0e 1 . 20 . 2902 . 1 1 4 TRP H H 2.483 2.440 1.638 . . . 1.0 . . . . . . . . . . . . A . 4 TRP H . . . . . . . . . c25522_2n0e 1 . 20 . 2903 . 1 1 4 TRP HA H 0.368 2.341 -0.334 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HA . . . . . . . . . c25522_2n0e 1 . 20 . 2904 . 1 1 4 TRP HB2 H 2.054 1.313 -1.779 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HB2 . . . . . . . . . c25522_2n0e 1 . 20 . 2905 . 1 1 4 TRP HB3 H 2.401 2.859 -1.385 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HB3 . . . . . . . . . c25522_2n0e 1 . 20 . 2906 . 1 1 4 TRP HD1 H 4.459 3.252 0.319 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HD1 . . . . . . . . . c25522_2n0e 1 . 20 . 2907 . 1 1 4 TRP HE1 H 6.477 1.857 0.949 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HE1 . . . . . . . . . c25522_2n0e 1 . 20 . 2908 . 1 1 4 TRP HE3 H 2.857 -1.119 -1.508 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HE3 . . . . . . . . . c25522_2n0e 1 . 20 . 2909 . 1 1 4 TRP HH2 H 6.381 -2.895 -0.247 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HH2 . . . . . . . . . c25522_2n0e 1 . 20 . 2910 . 1 1 4 TRP HZ2 H 7.173 -0.827 0.631 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HZ2 . . . . . . . . . c25522_2n0e 1 . 20 . 2911 . 1 1 4 TRP HZ3 H 4.252 -3.036 -1.304 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HZ3 . . . . . . . . . c25522_2n0e 1 . 20 . 2912 . 1 1 4 TRP N N 1.611 2.659 1.200 . . . 1.0 . . . . . . . . . . . . A . 4 TRP N . . . . . . . . . c25522_2n0e 1 . 20 . 2913 . 1 1 4 TRP NE1 N 5.662 1.521 0.477 . . . 1.0 . . . . . . . . . . . . A . 4 TRP NE1 . . . . . . . . . c25522_2n0e 1 . 20 . 2914 . 1 1 4 TRP O O -0.177 -0.054 -0.053 . . . 1.0 . . . . . . . . . . . . A . 4 TRP O . . . . . . . . . c25522_2n0e 1 . 20 . 2915 . 1 1 5 ALA C C 0.094 -1.705 2.214 . . . 1.0 . . . . . . . . . . . . A . 5 ALA C . . . . . . . . . c25522_2n0e 1 . 20 . 2916 . 1 1 5 ALA CA C 1.480 -1.536 1.601 . . . 1.0 . . . . . . . . . . . . A . 5 ALA CA . . . . . . . . . c25522_2n0e 1 . 20 . 2917 . 1 1 5 ALA CB C 2.553 -1.964 2.591 . . . 1.0 . . . . . . . . . . . . A . 5 ALA CB . . . . . . . . . c25522_2n0e 1 . 20 . 2918 . 1 1 5 ALA H H 2.519 0.323 1.496 . . . 1.0 . . . . . . . . . . . . A . 5 ALA H . . . . . . . . . c25522_2n0e 1 . 20 . 2919 . 1 1 5 ALA HA H 1.543 -2.127 0.797 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HA . . . . . . . . . c25522_2n0e 1 . 20 . 2920 . 1 1 5 ALA HB1 H 2.523 -1.365 3.391 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB1 . . . . . . . . . c25522_2n0e 1 . 20 . 2921 . 1 1 5 ALA HB2 H 2.393 -2.909 2.876 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB2 . . . . . . . . . c25522_2n0e 1 . 20 . 2922 . 1 1 5 ALA HB3 H 3.451 -1.894 2.156 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB3 . . . . . . . . . c25522_2n0e 1 . 20 . 2923 . 1 1 5 ALA N N 1.702 -0.159 1.178 . . . 1.0 . . . . . . . . . . . . A . 5 ALA N . . . . . . . . . c25522_2n0e 1 . 20 . 2924 . 1 1 5 ALA O O -0.494 -2.785 2.157 . . . 1.0 . . . . . . . . . . . . A . 5 ALA O . . . . . . . . . c25522_2n0e 1 . 20 . 2925 . 1 1 6 VAL C C -2.789 -1.215 2.469 . . . 1.0 . . . . . . . . . . . . A . 6 VAL C . . . . . . . . . c25522_2n0e 1 . 20 . 2926 . 1 1 6 VAL CA C -1.742 -0.660 3.425 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CA . . . . . . . . . c25522_2n0e 1 . 20 . 2927 . 1 1 6 VAL CB C -2.173 0.743 3.887 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CB . . . . . . . . . c25522_2n0e 1 . 20 . 2928 . 1 1 6 VAL CG1 C -1.222 1.275 4.948 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CG1 . . . . . . . . . c25522_2n0e 1 . 20 . 2929 . 1 1 6 VAL CG2 C -2.249 1.694 2.702 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CG2 . . . . . . . . . c25522_2n0e 1 . 20 . 2930 . 1 1 6 VAL H H 0.105 0.218 2.818 . . . 1.0 . . . . . . . . . . . . A . 6 VAL H . . . . . . . . . c25522_2n0e 1 . 20 . 2931 . 1 1 6 VAL HA H -1.693 -1.274 4.212 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HA . . . . . . . . . c25522_2n0e 1 . 20 . 2932 . 1 1 6 VAL HB H -3.077 0.660 4.307 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HB . . . . . . . . . c25522_2n0e 1 . 20 . 2933 . 1 1 6 VAL HG11 H -0.296 1.335 4.575 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG11 . . . . . . . . . c25522_2n0e 1 . 20 . 2934 . 1 1 6 VAL HG12 H -1.528 2.185 5.226 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG12 . . . . . . . . . c25522_2n0e 1 . 20 . 2935 . 1 1 6 VAL HG13 H -1.223 0.666 5.741 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG13 . . . . . . . . . c25522_2n0e 1 . 20 . 2936 . 1 1 6 VAL HG21 H -2.917 1.354 2.040 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG21 . . . . . . . . . c25522_2n0e 1 . 20 . 2937 . 1 1 6 VAL HG22 H -2.530 2.597 3.026 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG22 . . . . . . . . . c25522_2n0e 1 . 20 . 2938 . 1 1 6 VAL HG23 H -1.352 1.761 2.266 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG23 . . . . . . . . . c25522_2n0e 1 . 20 . 2939 . 1 1 6 VAL N N -0.423 -0.631 2.802 . . . 1.0 . . . . . . . . . . . . A . 6 VAL N . . . . . . . . . c25522_2n0e 1 . 20 . 2940 . 1 1 6 VAL O O -3.771 -1.823 2.892 . . . 1.0 . . . . . . . . . . . . A . 6 VAL O . . . . . . . . . c25522_2n0e 1 . 20 . 2941 . 1 1 7 GLY C C -2.861 -2.433 -0.814 . . . 1.0 . . . . . . . . . . . . A . 7 GLY C . . . . . . . . . c25522_2n0e 1 . 20 . 2942 . 1 1 7 GLY CA C -3.509 -1.487 0.175 . . . 1.0 . . . . . . . . . . . . A . 7 GLY CA . . . . . . . . . c25522_2n0e 1 . 20 . 2943 . 1 1 7 GLY H H -1.758 -0.502 0.883 . . . 1.0 . . . . . . . . . . . . A . 7 GLY H . . . . . . . . . c25522_2n0e 1 . 20 . 2944 . 1 1 7 GLY HA2 H -4.253 -1.968 0.639 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA2 . . . . . . . . . c25522_2n0e 1 . 20 . 2945 . 1 1 7 GLY HA3 H -3.879 -0.704 -0.325 . . . 1.0 . . . . . . . . . . . . A . 7 GLY HA3 . . . . . . . . . c25522_2n0e 1 . 20 . 2946 . 1 1 7 GLY N N -2.574 -1.002 1.173 . . . 1.0 . . . . . . . . . . . . A . 7 GLY N . . . . . . . . . c25522_2n0e 1 . 20 . 2947 . 1 1 7 GLY O O -3.508 -3.347 -1.328 . . . 1.0 . . . . . . . . . . . . A . 7 GLY O . . . . . . . . . c25522_2n0e 1 . 20 . 2948 . 1 1 8 HIS C C -0.466 -4.386 -1.380 . . . 1.0 . . . . . . . . . . . . A . 8 HIS C . . . . . . . . . c25522_2n0e 1 . 20 . 2949 . 1 1 8 HIS CA C -0.841 -3.055 -2.024 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CA . . . . . . . . . c25522_2n0e 1 . 20 . 2950 . 1 1 8 HIS CB C 0.417 -2.334 -2.507 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CB . . . . . . . . . c25522_2n0e 1 . 20 . 2951 . 1 1 8 HIS CD2 C -0.590 -1.586 -4.780 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CD2 . . . . . . . . . c25522_2n0e 1 . 20 . 2952 . 1 1 8 HIS CE1 C 1.209 -1.841 -6.003 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CE1 . . . . . . . . . c25522_2n0e 1 . 20 . 2953 . 1 1 8 HIS CG C 0.419 -2.033 -3.980 . . . 1.0 . . . . . . . . . . . . A . 8 HIS CG . . . . . . . . . c25522_2n0e 1 . 20 . 2954 . 1 1 8 HIS H H -1.105 -1.457 -0.636 . . . 1.0 . . . . . . . . . . . . A . 8 HIS H . . . . . . . . . c25522_2n0e 1 . 20 . 2955 . 1 1 8 HIS HA H -1.437 -3.245 -2.804 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HA . . . . . . . . . c25522_2n0e 1 . 20 . 2956 . 1 1 8 HIS HB2 H 0.497 -1.470 -2.010 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HB2 . . . . . . . . . c25522_2n0e 1 . 20 . 2957 . 1 1 8 HIS HB3 H 1.209 -2.909 -2.304 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HB3 . . . . . . . . . c25522_2n0e 1 . 20 . 2958 . 1 1 8 HIS HD2 H -1.527 -1.381 -4.498 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HD2 . . . . . . . . . c25522_2n0e 1 . 20 . 2959 . 1 1 8 HIS HE1 H 1.829 -1.854 -6.788 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HE1 . . . . . . . . . c25522_2n0e 1 . 20 . 2960 . 1 1 8 HIS HE2 H -0.546 -1.168 -6.885 . . . 1.0 . . . . . . . . . . . . A . 8 HIS HE2 . . . . . . . . . c25522_2n0e 1 . 20 . 2961 . 1 1 8 HIS N N -1.577 -2.215 -1.086 . . . 1.0 . . . . . . . . . . . . A . 8 HIS N . . . . . . . . . c25522_2n0e 1 . 20 . 2962 . 1 1 8 HIS ND1 N 1.546 -2.188 -4.770 . . . 1.0 . . . . . . . . . . . . A . 8 HIS ND1 . . . . . . . . . c25522_2n0e 1 . 20 . 2963 . 1 1 8 HIS NE2 N -0.072 -1.470 -6.058 . . . 1.0 . . . . . . . . . . . . A . 8 HIS NE2 . . . . . . . . . c25522_2n0e 1 . 20 . 2964 . 1 1 8 HIS O O -0.176 -5.363 -2.073 . . . 1.0 . . . . . . . . . . . . A . 8 HIS O . . . . . . . . . c25522_2n0e 1 . 20 . 2965 . 1 1 9 LEU C C -1.280 -6.055 1.595 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . c25522_2n0e 1 . 20 . 2966 . 1 1 9 LEU CA C -0.131 -5.630 0.685 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . c25522_2n0e 1 . 20 . 2967 . 1 1 9 LEU CB C 1.136 -5.408 1.513 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . c25522_2n0e 1 . 20 . 2968 . 1 1 9 LEU CD1 C 3.634 -5.327 1.704 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . c25522_2n0e 1 . 20 . 2969 . 1 1 9 LEU CD2 C 2.548 -7.061 0.265 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . c25522_2n0e 1 . 20 . 2970 . 1 1 9 LEU CG C 2.461 -5.633 0.785 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . c25522_2n0e 1 . 20 . 2971 . 1 1 9 LEU H H -0.714 -3.592 0.455 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . c25522_2n0e 1 . 20 . 2972 . 1 1 9 LEU HA H 0.032 -6.363 0.024 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . c25522_2n0e 1 . 20 . 2973 . 1 1 9 LEU HB2 H 1.125 -4.464 1.843 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . c25522_2n0e 1 . 20 . 2974 . 1 1 9 LEU HB3 H 1.106 -6.033 2.293 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . c25522_2n0e 1 . 20 . 2975 . 1 1 9 LEU HD11 H 3.586 -4.373 2.001 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . c25522_2n0e 1 . 20 . 2976 . 1 1 9 LEU HD12 H 3.598 -5.927 2.503 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . c25522_2n0e 1 . 20 . 2977 . 1 1 9 LEU HD13 H 4.491 -5.480 1.211 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . c25522_2n0e 1 . 20 . 2978 . 1 1 9 LEU HD21 H 1.790 -7.224 -0.366 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . c25522_2n0e 1 . 20 . 2979 . 1 1 9 LEU HD22 H 3.415 -7.207 -0.211 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . c25522_2n0e 1 . 20 . 2980 . 1 1 9 LEU HD23 H 2.481 -7.693 1.037 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . c25522_2n0e 1 . 20 . 2981 . 1 1 9 LEU HG H 2.503 -5.032 -0.013 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . c25522_2n0e 1 . 20 . 2982 . 1 1 9 LEU N N -0.471 -4.419 -0.052 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . c25522_2n0e 1 . 20 . 2983 . 1 1 9 LEU O O -1.961 -7.044 1.331 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . c25522_2n0e 1 . 20 . 2984 . 1 1 10 MET C C -3.774 -4.715 3.353 . . . 1.0 . . . . . . . . . . . . A . 10 MET C . . . . . . . . . c25522_2n0e 1 . 20 . 2985 . 1 1 10 MET CA C -2.556 -5.595 3.615 . . . 1.0 . . . . . . . . . . . . A . 10 MET CA . . . . . . . . . c25522_2n0e 1 . 20 . 2986 . 1 1 10 MET CB C -2.065 -5.391 5.050 . . . 1.0 . . . . . . . . . . . . A . 10 MET CB . . . . . . . . . c25522_2n0e 1 . 20 . 2987 . 1 1 10 MET CE C 0.581 -2.830 6.430 . . . 1.0 . . . . . . . . . . . . A . 10 MET CE . . . . . . . . . c25522_2n0e 1 . 20 . 2988 . 1 1 10 MET CG C -1.727 -3.946 5.378 . . . 1.0 . . . . . . . . . . . . A . 10 MET CG . . . . . . . . . c25522_2n0e 1 . 20 . 2989 . 1 1 10 MET H H -0.897 -4.507 2.830 . . . 1.0 . . . . . . . . . . . . A . 10 MET H . . . . . . . . . c25522_2n0e 1 . 20 . 2990 . 1 1 10 MET HA H -2.831 -6.547 3.477 . . . 1.0 . . . . . . . . . . . . A . 10 MET HA . . . . . . . . . c25522_2n0e 1 . 20 . 2991 . 1 1 10 MET HB2 H -2.782 -5.697 5.677 . . . 1.0 . . . . . . . . . . . . A . 10 MET HB2 . . . . . . . . . c25522_2n0e 1 . 20 . 2992 . 1 1 10 MET HB3 H -1.244 -5.946 5.186 . . . 1.0 . . . . . . . . . . . . A . 10 MET HB3 . . . . . . . . . c25522_2n0e 1 . 20 . 2993 . 1 1 10 MET HE1 H 1.085 -3.347 5.738 . . . 1.0 . . . . . . . . . . . . A . 10 MET HE1 . . . . . . . . . c25522_2n0e 1 . 20 . 2994 . 1 1 10 MET HE2 H 0.277 -1.961 6.040 . . . 1.0 . . . . . . . . . . . . A . 10 MET HE2 . . . . . . . . . c25522_2n0e 1 . 20 . 2995 . 1 1 10 MET HE3 H 1.176 -2.654 7.214 . . . 1.0 . . . . . . . . . . . . A . 10 MET HE3 . . . . . . . . . c25522_2n0e 1 . 20 . 2996 . 1 1 10 MET HG2 H -1.155 -3.582 4.643 . . . 1.0 . . . . . . . . . . . . A . 10 MET HG2 . . . . . . . . . c25522_2n0e 1 . 20 . 2997 . 1 1 10 MET HG3 H -2.580 -3.426 5.424 . . . 1.0 . . . . . . . . . . . . A . 10 MET HG3 . . . . . . . . . c25522_2n0e 1 . 20 . 2998 . 1 1 10 MET N N -1.487 -5.298 2.668 . . . 1.0 . . . . . . . . . . . . A . 10 MET N . . . . . . . . . c25522_2n0e 1 . 20 . 2999 . 1 1 10 MET O O -4.900 -5.207 3.259 . . . 1.0 . . . . . . . . . . . . A . 10 MET O . . . . . . . . . c25522_2n0e 1 . 20 . 3000 . 1 1 10 MET SD S -0.850 -3.776 6.944 . . . 1.0 . . . . . . . . . . . . A . 10 MET SD . . . . . . . . . c25522_2n0e 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 c25522_2n0e _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 2n0e.mr . . 'MR format' 1 comment 'Not applicable' 'Not applicable' 0 c25522_2n0e 1 1 2n0e.mr . . DYANA/DIANA 2 distance NOE simple 177 c25522_2n0e 1 1 2n0e.mr . . 'MR format' 3 'nomenclature mapping' 'Not applicable' 'Not applicable' 0 c25522_2n0e 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 c25522_2n0e _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 . . . . c25522_2n0e 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 9 9 LEU H H . . . 1 1 9 9 LEU HB2 H . . . . . . . 3.04 . . . . . A . 9 LEU H . . A . 9 LEU HB2 . . . 9 LEU H . . . . . 9 LEU HB2 . . c25522_2n0e 1 2 1 . . 1 1 9 9 LEU H H . . . 1 1 9 9 LEU HB3 H . . . . . . . 3.88 . . . . . A . 9 LEU H . . A . 9 LEU HB3 . . . 9 LEU H . . . . . 9 LEU HB3 . . c25522_2n0e 1 3 1 . . 1 1 9 9 LEU H H . . . 1 1 9 9 LEU HG H . . . . . . . 4.13 . . . . . A . 9 LEU H . . A . 9 LEU HG . . . 9 LEU H . . . . . 9 LEU HG . . c25522_2n0e 1 4 1 . . 1 1 9 9 LEU H H . . . 1 1 9 9 LEU MD2 H . . . . . . . 4.16 . . . . . A . 9 LEU H . . A . 9 LEU MD2 . . . 9 LEU H . . . . . 9 LEU QD2 . . c25522_2n0e 1 5 1 . . 1 1 9 9 LEU H H . . . 1 1 9 9 LEU MD1 H . . . . . . . 4.76 . . . . . A . 9 LEU H . . A . 9 LEU MD1 . . . 9 LEU H . . . . . 9 LEU QD1 . . c25522_2n0e 1 6 1 . . 1 1 6 6 VAL H H . . . 1 1 6 6 VAL HA H . . . . . . . 2.94 . . . . . A . 6 VAL H . . A . 6 VAL HA . . . 6 VAL H . . . . . 6 VAL HA . . c25522_2n0e 1 7 1 . . 1 1 6 6 VAL H H . . . 1 1 6 6 VAL MG2 H . . . . . . . 2.96 . . . . . A . 6 VAL H . . A . 6 VAL MG2 . . . 6 VAL H . . . . . 6 VAL QG2 . . c25522_2n0e 1 8 1 . . 1 1 6 6 VAL H H . . . 1 1 6 6 VAL MG1 H . . . . . . . 3.34 . . . . . A . 6 VAL H . . A . 6 VAL MG1 . . . 6 VAL H . . . . . 6 VAL QG1 . . c25522_2n0e 1 9 1 . . 1 1 10 10 MET H H . . . 1 1 10 10 MET HG2 H . . . . . . . 4.17 . . . . . A . 10 MET H . . A . 10 MET HG2 . . . 10 MET H . . . . . 10 MET HG2 . . c25522_2n0e 1 10 1 . . 1 1 10 10 MET H H . . . 1 1 10 10 MET HG3 H . . . . . . . 4.17 . . . . . A . 10 MET H . . A . 10 MET HG3 . . . 10 MET H . . . . . 10 MET HG3 . . c25522_2n0e 1 11 1 . . 1 1 10 10 MET H H . . . 1 1 10 10 MET HB2 H . . . . . . . 3.95 . . . . . A . 10 MET H . . A . 10 MET HB2 . . . 10 MET H . . . . . 10 MET HB2 . . c25522_2n0e 1 12 1 . . 1 1 10 10 MET H H . . . 1 1 10 10 MET HB3 H . . . . . . . 3.95 . . . . . A . 10 MET H . . A . 10 MET HB3 . . . 10 MET H . . . . . 10 MET HB3 . . c25522_2n0e 1 13 1 . . 1 1 10 10 MET H H . . . 1 1 10 10 MET ME H . . . . . . . 3.75 . . . . . A . 10 MET H . . A . 10 MET ME . . . 10 MET H . . . . . 10 MET QE . . c25522_2n0e 1 14 1 . . 1 1 5 5 ALA H H . . . 1 1 5 5 ALA MB H . . . . . . . 2.83 . . . . . A . 5 ALA H . . A . 5 ALA MB . . . 5 ALA H . . . . . 5 ALA QB . . c25522_2n0e 1 15 1 OR . 1 1 7 7 GLY H H . . . 1 1 7 7 GLY HA2 H . . . . . . . 2.43 . . . . . A . 7 GLY H . . A . 7 GLY HA2 . . . 7 GLY H . . . . . 7 GLY QA . . c25522_2n0e 1 15 2 OR . 1 1 7 7 GLY H H . . . 1 1 7 7 GLY HA3 H . . . . . . . 2.43 . . . . . A . 7 GLY H . . A . 7 GLY HA3 . . . 7 GLY H . . . . . 7 GLY QA . . c25522_2n0e 1 16 1 . . 1 1 8 8 HIS H H . . . 1 1 8 8 HIS HB3 H . . . . . . . 3.51 . . . . . A . 8 HIS H . . A . 8 HIS HB3 . . . 8 HIS H . . . . . 8 HIS HB3 . . c25522_2n0e 1 17 1 . . 1 1 8 8 HIS H H . . . 1 1 8 8 HIS HB2 H . . . . . . . 3.37 . . . . . A . 8 HIS H . . A . 8 HIS HB2 . . . 8 HIS H . . . . . 8 HIS HB2 . . c25522_2n0e 1 18 1 . . 1 1 3 3 HIS HA H . . . 1 1 4 4 TRP H H . . . . . . . 3.01 . . . . . A . 3 HIS HA . . A . 4 TRP H . . . 3 HIS HA . . . . . 4 TRP H . . c25522_2n0e 1 19 1 . . 1 1 2 2 ASN HA H . . . 1 1 2 2 ASN HD21 H . . . . . . . 4.05 . . . . . A . 2 ASN HA . . A . 2 ASN HD21 . . . 2 ASN HA . . . . . 2 ASN HD21 . . c25522_2n0e 1 20 1 . . 1 1 2 2 ASN HA H . . . 1 1 2 2 ASN HD22 H . . . . . . . 4.05 . . . . . A . 2 ASN HA . . A . 2 ASN HD22 . . . 2 ASN HA . . . . . 2 ASN HD22 . . c25522_2n0e 1 21 1 OR . 1 1 2 2 ASN HD21 H . . . 1 1 2 2 ASN HB2 H . . . . . . . 3.73 . . . . . A . 2 ASN HD21 . . A . 2 ASN HB2 . . . 2 ASN HD21 . . . . . 2 ASN QB . . c25522_2n0e 1 21 2 OR . 1 1 2 2 ASN HD21 H . . . 1 1 2 2 ASN HB3 H . . . . . . . 3.73 . . . . . A . 2 ASN HD21 . . A . 2 ASN HB3 . . . 2 ASN HD21 . . . . . 2 ASN QB . . c25522_2n0e 1 22 1 OR . 1 1 2 2 ASN HD22 H . . . 1 1 2 2 ASN HB2 H . . . . . . . 3.73 . . . . . A . 2 ASN HD22 . . A . 2 ASN HB2 . . . 2 ASN HD22 . . . . . 2 ASN QB . . c25522_2n0e 1 22 2 OR . 1 1 2 2 ASN HD22 H . . . 1 1 2 2 ASN HB3 H . . . . . . . 3.73 . . . . . A . 2 ASN HD22 . . A . 2 ASN HB3 . . . 2 ASN HD22 . . . . . 2 ASN QB . . c25522_2n0e 1 23 1 . . 1 1 6 6 VAL H H . . . 1 1 5 5 ALA H H . . . . . . . 3.07 . . . . . A . 6 VAL H . . A . 5 ALA H . . . 6 VAL H . . . . . 5 ALA H . . c25522_2n0e 1 24 1 . . 1 1 6 6 VAL H H . . . 1 1 7 7 GLY H H . . . . . . . 3.31 . . . . . A . 6 VAL H . . A . 7 GLY H . . . 6 VAL H . . . . . 7 GLY H . . c25522_2n0e 1 25 1 . . 1 1 7 7 GLY H H . . . 1 1 8 8 HIS H H . . . . . . . 3.43 . . . . . A . 7 GLY H . . A . 8 HIS H . . . 7 GLY H . . . . . 8 HIS H . . c25522_2n0e 1 26 1 . . 1 1 5 5 ALA H H . . . 1 1 4 4 TRP H H . . . . . . . 3.16 . . . . . A . 5 ALA H . . A . 4 TRP H . . . 5 ALA H . . . . . 4 TRP H . . c25522_2n0e 1 27 1 . . 1 1 5 5 ALA H H . . . 1 1 4 4 TRP HD1 H . . . . . . . 3.93 . . . . . A . 5 ALA H . . A . 4 TRP HD1 . . . 5 ALA H . . . . . 4 TRP HD1 . . c25522_2n0e 1 28 1 . . 1 1 5 5 ALA H H . . . 1 1 4 4 TRP HE3 H . . . . . . . 3.89 . . . . . A . 5 ALA H . . A . 4 TRP HE3 . . . 5 ALA H . . . . . 4 TRP HE3 . . c25522_2n0e 1 29 1 . . 1 1 8 8 HIS H H . . . 1 1 8 8 HIS HD2 H . . . . . . . 4.05 . . . . . A . 8 HIS H . . A . 8 HIS HD2 . . . 8 HIS H . . . . . 8 HIS HD2 . . c25522_2n0e 1 30 1 . . 1 1 9 9 LEU H H . . . 1 1 8 8 HIS H H . . . . . . . 3.19 . . . . . A . 9 LEU H . . A . 8 HIS H . . . 9 LEU H . . . . . 8 HIS H . . c25522_2n0e 1 31 1 . . 1 1 7 7 GLY H H . . . 1 1 6 6 VAL HB H . . . . . . . 4.02 . . . . . A . 7 GLY H . . A . 6 VAL HB . . . 7 GLY H . . . . . 6 VAL HB . . c25522_2n0e 1 32 1 . . 1 1 6 6 VAL MG2 H . . . 1 1 7 7 GLY H H . . . . . . . 3.49 . . . . . A . 6 VAL MG2 . . A . 7 GLY H . . . 6 VAL QG2 . . . . . 7 GLY H . . c25522_2n0e 1 33 1 . . 1 1 6 6 VAL MG1 H . . . 1 1 5 5 ALA H H . . . . . . . 4.40 . . . . . A . 6 VAL MG1 . . A . 5 ALA H . . . 6 VAL QG1 . . . . . 5 ALA H . . c25522_2n0e 1 34 1 . . 1 1 6 6 VAL MG1 H . . . 1 1 7 7 GLY H H . . . . . . . 4.68 . . . . . A . 6 VAL MG1 . . A . 7 GLY H . . . 6 VAL QG1 . . . . . 7 GLY H . . c25522_2n0e 1 35 1 . . 1 1 9 9 LEU H H . . . 1 1 8 8 HIS HA H . . . . . . . 3.52 . . . . . A . 9 LEU H . . A . 8 HIS HA . . . 9 LEU H . . . . . 8 HIS HA . . c25522_2n0e 1 36 1 OR . 1 1 9 9 LEU H H . . . 1 1 7 7 GLY HA2 H . . . . . . . 3.78 . . . . . A . 9 LEU H . . A . 7 GLY HA2 . . . 9 LEU H . . . . . 7 GLY QA . . c25522_2n0e 1 36 2 OR . 1 1 9 9 LEU H H . . . 1 1 7 7 GLY HA3 H . . . . . . . 3.78 . . . . . A . 9 LEU H . . A . 7 GLY HA3 . . . 9 LEU H . . . . . 7 GLY QA . . c25522_2n0e 1 37 1 . . 1 1 9 9 LEU H H . . . 1 1 8 8 HIS HB3 H . . . . . . . 3.62 . . . . . A . 9 LEU H . . A . 8 HIS HB3 . . . 9 LEU H . . . . . 8 HIS HB3 . . c25522_2n0e 1 38 1 . . 1 1 9 9 LEU H H . . . 1 1 8 8 HIS HB2 H . . . . . . . 3.67 . . . . . A . 9 LEU H . . A . 8 HIS HB2 . . . 9 LEU H . . . . . 8 HIS HB2 . . c25522_2n0e 1 39 1 . . 1 1 6 6 VAL HA H . . . 1 1 10 10 MET H H . . . . . . . 3.88 . . . . . A . 6 VAL HA . . A . 10 MET H . . . 6 VAL HA . . . . . 10 MET H . . c25522_2n0e 1 40 1 . . 1 1 9 9 LEU HB2 H . . . 1 1 10 10 MET H H . . . . . . . 3.76 . . . . . A . 9 LEU HB2 . . A . 10 MET H . . . 9 LEU HB2 . . . . . 10 MET H . . c25522_2n0e 1 41 1 . . 1 1 9 9 LEU HB3 H . . . 1 1 10 10 MET H H . . . . . . . 3.65 . . . . . A . 9 LEU HB3 . . A . 10 MET H . . . 9 LEU HB3 . . . . . 10 MET H . . c25522_2n0e 1 42 1 OR . 1 1 4 4 TRP H H . . . 1 1 3 3 HIS HB2 H . . . . . . . 3.57 . . . . . A . 4 TRP H . . A . 3 HIS HB2 . . . 4 TRP H . . . . . 3 HIS QB . . c25522_2n0e 1 42 2 OR . 1 1 4 4 TRP H H . . . 1 1 3 3 HIS HB3 H . . . . . . . 3.57 . . . . . A . 4 TRP H . . A . 3 HIS HB3 . . . 4 TRP H . . . . . 3 HIS QB . . c25522_2n0e 1 43 1 . . 1 1 6 6 VAL H H . . . 1 1 5 5 ALA MB H . . . . . . . 3.22 . . . . . A . 6 VAL H . . A . 5 ALA MB . . . 6 VAL H . . . . . 5 ALA QB . . c25522_2n0e 1 44 1 . . 1 1 6 6 VAL H H . . . 1 1 4 4 TRP HA H . . . . . . . 3.98 . . . . . A . 6 VAL H . . A . 4 TRP HA . . . 6 VAL H . . . . . 4 TRP HA . . c25522_2n0e 1 45 1 . . 1 1 4 4 TRP HE3 H . . . 1 1 5 5 ALA HA H . . . . . . . 3.54 . . . . . A . 4 TRP HE3 . . A . 5 ALA HA . . . 4 TRP HE3 . . . . . 5 ALA HA . . c25522_2n0e 1 46 1 OR . 1 1 4 4 TRP HE3 H . . . 1 1 4 4 TRP HB2 H . . . . . . . 2.98 . . . . . A . 4 TRP HE3 . . A . 4 TRP HB2 . . . 4 TRP HE3 . . . . . 4 TRP QB . . c25522_2n0e 1 46 2 OR . 1 1 4 4 TRP HE3 H . . . 1 1 4 4 TRP HB3 H . . . . . . . 2.98 . . . . . A . 4 TRP HE3 . . A . 4 TRP HB3 . . . 4 TRP HE3 . . . . . 4 TRP QB . . c25522_2n0e 1 47 1 . . 1 1 3 3 HIS HA H . . . 1 1 4 4 TRP HD1 H . . . . . . . 3.62 . . . . . A . 3 HIS HA . . A . 4 TRP HD1 . . . 3 HIS HA . . . . . 4 TRP HD1 . . c25522_2n0e 1 48 1 . . 1 1 8 8 HIS HD2 H . . . 1 1 8 8 HIS HA H . . . . . . . 3.45 . . . . . A . 8 HIS HD2 . . A . 8 HIS HA . . . 8 HIS HD2 . . . . . 8 HIS HA . . c25522_2n0e 1 49 1 . . 1 1 3 3 HIS HA H . . . 1 1 3 3 HIS HD2 H . . . . . . . 3.94 . . . . . A . 3 HIS HA . . A . 3 HIS HD2 . . . 3 HIS HA . . . . . 3 HIS HD2 . . c25522_2n0e 1 50 1 OR . 1 1 4 4 TRP HD1 H . . . 1 1 4 4 TRP HB2 H . . . . . . . 2.88 . . . . . A . 4 TRP HD1 . . A . 4 TRP HB2 . . . 4 TRP HD1 . . . . . 4 TRP QB . . c25522_2n0e 1 50 2 OR . 1 1 4 4 TRP HD1 H . . . 1 1 4 4 TRP HB3 H . . . . . . . 2.88 . . . . . A . 4 TRP HD1 . . A . 4 TRP HB3 . . . 4 TRP HD1 . . . . . 4 TRP QB . . c25522_2n0e 1 51 1 . . 1 1 8 8 HIS HB3 H . . . 1 1 4 4 TRP HZ3 H . . . . . . . 3.21 . . . . . A . 8 HIS HB3 . . A . 4 TRP HZ3 . . . 8 HIS HB3 . . . . . 4 TRP HZ3 . . c25522_2n0e 1 52 1 . . 1 1 8 8 HIS HB2 H . . . 1 1 8 8 HIS HD2 H . . . . . . . 3.37 . . . . . A . 8 HIS HB2 . . A . 8 HIS HD2 . . . 8 HIS HB2 . . . . . 8 HIS HD2 . . c25522_2n0e 1 53 1 OR . 1 1 3 3 HIS HD2 H . . . 1 1 3 3 HIS HB2 H . . . . . . . 3.16 . . . . . A . 3 HIS HD2 . . A . 3 HIS HB2 . . . 3 HIS HD2 . . . . . 3 HIS QB . . c25522_2n0e 1 53 2 OR . 1 1 3 3 HIS HB3 H . . . 1 1 3 3 HIS HD2 H . . . . . . . 3.16 . . . . . A . 3 HIS HB3 . . A . 3 HIS HD2 . . . 3 HIS QB . . . . . 3 HIS HD2 . . c25522_2n0e 1 54 1 OR . 1 1 8 8 HIS H H . . . 1 1 7 7 GLY HA2 H . . . . . . . 3.12 . . . . . A . 8 HIS H . . A . 7 GLY HA2 . . . 8 HIS H . . . . . 7 GLY QA . . c25522_2n0e 1 54 2 OR . 1 1 7 7 GLY HA3 H . . . 1 1 8 8 HIS H H . . . . . . . 3.12 . . . . . A . 7 GLY HA3 . . A . 8 HIS H . . . 7 GLY QA . . . . . 8 HIS H . . c25522_2n0e 1 55 1 OR . 1 1 3 3 HIS HA H . . . 1 1 3 3 HIS HB2 H . . . . . . . 2.87 . . . . . A . 3 HIS HA . . A . 3 HIS HB2 . . . 3 HIS HA . . . . . 3 HIS QB . . c25522_2n0e 1 55 2 OR . 1 1 3 3 HIS HA H . . . 1 1 3 3 HIS HB3 H . . . . . . . 2.87 . . . . . A . 3 HIS HA . . A . 3 HIS HB3 . . . 3 HIS HA . . . . . 3 HIS QB . . c25522_2n0e 1 56 1 OR . 1 1 4 4 TRP HA H . . . 1 1 4 4 TRP HB2 H . . . . . . . 2.61 . . . . . A . 4 TRP HA . . A . 4 TRP HB2 . . . 4 TRP HA . . . . . 4 TRP QB . . c25522_2n0e 1 56 2 OR . 1 1 4 4 TRP HA H . . . 1 1 4 4 TRP HB3 H . . . . . . . 2.61 . . . . . A . 4 TRP HA . . A . 4 TRP HB3 . . . 4 TRP HA . . . . . 4 TRP QB . . c25522_2n0e 1 57 1 . . 1 1 9 9 LEU MD1 H . . . 1 1 9 9 LEU HA H . . . . . . . 4.04 . . . . . A . 9 LEU MD1 . . A . 9 LEU HA . . . 9 LEU QD1 . . . . . 9 LEU HA . . c25522_2n0e 1 58 1 . . 1 1 6 6 VAL HA H . . . 1 1 10 10 MET ME H . . . . . . . 3.66 . . . . . A . 6 VAL HA . . A . 10 MET ME . . . 6 VAL HA . . . . . 10 MET QE . . c25522_2n0e 1 59 1 . . 1 1 6 6 VAL HA H . . . 1 1 6 6 VAL MG1 H . . . . . . . 3.00 . . . . . A . 6 VAL HA . . A . 6 VAL MG1 . . . 6 VAL HA . . . . . 6 VAL QG1 . . c25522_2n0e 1 60 1 . . 1 1 9 9 LEU HB2 H . . . 1 1 6 6 VAL HA H . . . . . . . 4.82 . . . . . A . 9 LEU HB2 . . A . 6 VAL HA . . . 9 LEU HB2 . . . . . 6 VAL HA . . c25522_2n0e 1 61 1 . . 1 1 8 8 HIS HB3 H . . . 1 1 5 5 ALA HA H . . . . . . . 4.41 . . . . . A . 8 HIS HB3 . . A . 5 ALA HA . . . 8 HIS HB3 . . . . . 5 ALA HA . . c25522_2n0e 1 62 1 OR . 1 1 5 5 ALA MB H . . . 1 1 4 4 TRP HB2 H . . . . . . . 4.56 . . . . . A . 5 ALA MB . . A . 4 TRP HB2 . . . 5 ALA QB . . . . . 4 TRP QB . . c25522_2n0e 1 62 2 OR . 1 1 5 5 ALA MB H . . . 1 1 4 4 TRP HB3 H . . . . . . . 4.56 . . . . . A . 5 ALA MB . . A . 4 TRP HB3 . . . 5 ALA QB . . . . . 4 TRP QB . . c25522_2n0e 1 63 1 OR . 1 1 5 5 ALA HA H . . . 1 1 4 4 TRP HB2 H . . . . . . . 4.26 . . . . . A . 5 ALA HA . . A . 4 TRP HB2 . . . 5 ALA HA . . . . . 4 TRP QB . . c25522_2n0e 1 63 2 OR . 1 1 5 5 ALA HA H . . . 1 1 4 4 TRP HB3 H . . . . . . . 4.26 . . . . . A . 5 ALA HA . . A . 4 TRP HB3 . . . 5 ALA HA . . . . . 4 TRP QB . . c25522_2n0e 1 64 1 . . 1 1 8 8 HIS HB2 H . . . 1 1 5 5 ALA HA H . . . . . . . 4.27 . . . . . A . 8 HIS HB2 . . A . 5 ALA HA . . . 8 HIS HB2 . . . . . 5 ALA HA . . c25522_2n0e 1 65 1 . . 1 1 6 6 VAL HA H . . . 1 1 5 5 ALA HA H . . . . . . . 4.97 . . . . . A . 6 VAL HA . . A . 5 ALA HA . . . 6 VAL HA . . . . . 5 ALA HA . . c25522_2n0e 1 66 1 . . 1 1 9 9 LEU MD1 H . . . 1 1 10 10 MET ME H . . . . . . . 3.76 . . . . . A . 9 LEU MD1 . . A . 10 MET ME . . . 9 LEU QD1 . . . . . 10 MET QE . . c25522_2n0e 1 67 1 . . 1 1 6 6 VAL MG2 H . . . 1 1 5 5 ALA MB H . . . . . . . 4.31 . . . . . A . 6 VAL MG2 . . A . 5 ALA MB . . . 6 VAL QG2 . . . . . 5 ALA QB . . c25522_2n0e 1 68 1 . . 1 1 9 9 LEU HB2 H . . . 1 1 9 9 LEU MD2 H . . . . . . . 3.82 . . . . . A . 9 LEU HB2 . . A . 9 LEU MD2 . . . 9 LEU HB2 . . . . . 9 LEU QD2 . . c25522_2n0e 1 69 1 . . 1 1 10 10 MET ME H . . . 1 1 5 5 ALA MB H . . . . . . . 4.38 . . . . . A . 10 MET ME . . A . 5 ALA MB . . . 10 MET QE . . . . . 5 ALA QB . . c25522_2n0e 1 70 1 OR . 1 1 6 6 VAL MG2 H . . . 1 1 3 3 HIS HB2 H . . . . . . . 4.18 . . . . . A . 6 VAL MG2 . . A . 3 HIS HB2 . . . 6 VAL QG2 . . . . . 3 HIS QB . . c25522_2n0e 1 70 2 OR . 1 1 6 6 VAL MG2 H . . . 1 1 3 3 HIS HB3 H . . . . . . . 4.18 . . . . . A . 6 VAL MG2 . . A . 3 HIS HB3 . . . 6 VAL QG2 . . . . . 3 HIS QB . . c25522_2n0e 1 71 1 . . 1 1 9 9 LEU MD1 H . . . 1 1 5 5 ALA MB H . . . . . . . 4.17 . . . . . A . 9 LEU MD1 . . A . 5 ALA MB . . . 9 LEU QD1 . . . . . 5 ALA QB . . c25522_2n0e 1 72 1 . . 1 1 9 9 LEU HB2 H . . . 1 1 9 9 LEU MD1 H . . . . . . . 3.35 . . . . . A . 9 LEU HB2 . . A . 9 LEU MD1 . . . 9 LEU HB2 . . . . . 9 LEU QD1 . . c25522_2n0e 1 73 1 . . 1 1 9 9 LEU HB3 H . . . 1 1 9 9 LEU MD1 H . . . . . . . 3.23 . . . . . A . 9 LEU HB3 . . A . 9 LEU MD1 . . . 9 LEU HB3 . . . . . 9 LEU QD1 . . c25522_2n0e 1 74 1 . . 1 1 9 9 LEU HB3 H . . . 1 1 9 9 LEU MD2 H . . . . . . . 3.32 . . . . . A . 9 LEU HB3 . . A . 9 LEU MD2 . . . 9 LEU HB3 . . . . . 9 LEU QD2 . . c25522_2n0e 1 75 1 . . 1 1 7 7 GLY H H . . . 1 1 4 4 TRP HA H . . . . . . . 4.63 . . . . . A . 7 GLY H . . A . 4 TRP HA . . . 7 GLY H . . . . . 4 TRP HA . . c25522_2n0e 1 76 1 . . 1 1 6 6 VAL H H . . . 1 1 5 5 ALA HA H . . . . . . . 3.50 . . . . . A . 6 VAL H . . A . 5 ALA HA . . . 6 VAL H . . . . . 5 ALA HA . . c25522_2n0e 1 77 1 . . 1 1 3 3 HIS HA H . . . 1 1 4 4 TRP HE1 H . . . . . . . 5.50 . . . . . A . 3 HIS HA . . A . 4 TRP HE1 . . . 3 HIS HA . . . . . 4 TRP HE1 . . c25522_2n0e 1 78 1 OR . 1 1 4 4 TRP HE1 H . . . 1 1 4 4 TRP HB2 H . . . . . . . 4.55 . . . . . A . 4 TRP HE1 . . A . 4 TRP HB2 . . . 4 TRP HE1 . . . . . 4 TRP QB . . c25522_2n0e 1 78 2 OR . 1 1 4 4 TRP HB3 H . . . 1 1 4 4 TRP HE1 H . . . . . . . 4.55 . . . . . A . 4 TRP HB3 . . A . 4 TRP HE1 . . . 4 TRP QB . . . . . 4 TRP HE1 . . c25522_2n0e 1 79 1 . . 1 1 9 9 LEU HG H . . . 1 1 5 5 ALA H H . . . . . . . 5.50 . . . . . A . 9 LEU HG . . A . 5 ALA H . . . 9 LEU HG . . . . . 5 ALA H . . c25522_2n0e 1 80 1 OR . 1 1 5 5 ALA H H . . . 1 1 3 3 HIS HB2 H . . . . . . . 4.48 . . . . . A . 5 ALA H . . A . 3 HIS HB2 . . . 5 ALA H . . . . . 3 HIS QB . . c25522_2n0e 1 80 2 OR . 1 1 5 5 ALA H H . . . 1 1 3 3 HIS HB3 H . . . . . . . 4.48 . . . . . A . 5 ALA H . . A . 3 HIS HB3 . . . 5 ALA H . . . . . 3 HIS QB . . c25522_2n0e 1 81 1 . . 1 1 5 5 ALA H H . . . 1 1 8 8 HIS HB3 H . . . . . . . 5.48 . . . . . A . 5 ALA H . . A . 8 HIS HB3 . . . 5 ALA H . . . . . 8 HIS HB3 . . c25522_2n0e 1 82 1 . . 1 1 7 7 GLY H H . . . 1 1 8 8 HIS HB3 H . . . . . . . 5.50 . . . . . A . 7 GLY H . . A . 8 HIS HB3 . . . 7 GLY H . . . . . 8 HIS HB3 . . c25522_2n0e 1 83 1 . . 1 1 5 5 ALA H H . . . 1 1 8 8 HIS HB2 H . . . . . . . 5.40 . . . . . A . 5 ALA H . . A . 8 HIS HB2 . . . 5 ALA H . . . . . 8 HIS HB2 . . c25522_2n0e 1 84 1 . . 1 1 7 7 GLY H H . . . 1 1 8 8 HIS HB2 H . . . . . . . 5.50 . . . . . A . 7 GLY H . . A . 8 HIS HB2 . . . 7 GLY H . . . . . 8 HIS HB2 . . c25522_2n0e 1 85 1 . . 1 1 5 5 ALA MB H . . . 1 1 4 4 TRP H H . . . . . . . 4.87 . . . . . A . 5 ALA MB . . A . 4 TRP H . . . 5 ALA QB . . . . . 4 TRP H . . c25522_2n0e 1 86 1 . . 1 1 10 10 MET H H . . . 1 1 5 5 ALA MB H . . . . . . . 5.19 . . . . . A . 10 MET H . . A . 5 ALA MB . . . 10 MET H . . . . . 5 ALA QB . . c25522_2n0e 1 87 1 . . 1 1 9 9 LEU MD1 H . . . 1 1 10 10 MET H H . . . . . . . 4.34 . . . . . A . 9 LEU MD1 . . A . 10 MET H . . . 9 LEU QD1 . . . . . 10 MET H . . c25522_2n0e 1 88 1 . . 1 1 6 6 VAL MG1 H . . . 1 1 8 8 HIS H H . . . . . . . 5.50 . . . . . A . 6 VAL MG1 . . A . 8 HIS H . . . 6 VAL QG1 . . . . . 8 HIS H . . c25522_2n0e 1 89 1 . . 1 1 9 9 LEU H H . . . 1 1 5 5 ALA HA H . . . . . . . 4.69 . . . . . A . 9 LEU H . . A . 5 ALA HA . . . 9 LEU H . . . . . 5 ALA HA . . c25522_2n0e 1 90 1 . . 1 1 4 4 TRP H H . . . 1 1 5 5 ALA HA H . . . . . . . 5.50 . . . . . A . 4 TRP H . . A . 5 ALA HA . . . 4 TRP H . . . . . 5 ALA HA . . c25522_2n0e 1 91 1 . . 1 1 10 10 MET H H . . . 1 1 5 5 ALA HA H . . . . . . . 5.50 . . . . . A . 10 MET H . . A . 5 ALA HA . . . 10 MET H . . . . . 5 ALA HA . . c25522_2n0e 1 92 1 . . 1 1 8 8 HIS H H . . . 1 1 5 5 ALA HA H . . . . . . . 4.58 . . . . . A . 8 HIS H . . A . 5 ALA HA . . . 8 HIS H . . . . . 5 ALA HA . . c25522_2n0e 1 93 1 OR . 1 1 6 6 VAL H H . . . 1 1 2 2 ASN HB2 H . . . . . . . 5.50 . . . . . A . 6 VAL H . . A . 2 ASN HB2 . . . 6 VAL H . . . . . 2 ASN QB . . c25522_2n0e 1 93 2 OR . 1 1 6 6 VAL H H . . . 1 1 2 2 ASN HB3 H . . . . . . . 5.50 . . . . . A . 6 VAL H . . A . 2 ASN HB3 . . . 6 VAL H . . . . . 2 ASN QB . . c25522_2n0e 1 94 1 OR . 1 1 6 6 VAL H H . . . 1 1 3 3 HIS HB2 H . . . . . . . 4.77 . . . . . A . 6 VAL H . . A . 3 HIS HB2 . . . 6 VAL H . . . . . 3 HIS QB . . c25522_2n0e 1 94 2 OR . 1 1 6 6 VAL H H . . . 1 1 3 3 HIS HB3 H . . . . . . . 4.77 . . . . . A . 6 VAL H . . A . 3 HIS HB3 . . . 6 VAL H . . . . . 3 HIS QB . . c25522_2n0e 1 95 1 . . 1 1 5 5 ALA MB H . . . 1 1 4 4 TRP HE3 H . . . . . . . 4.15 . . . . . A . 5 ALA MB . . A . 4 TRP HE3 . . . 5 ALA QB . . . . . 4 TRP HE3 . . c25522_2n0e 1 96 1 . . 1 1 5 5 ALA HA H . . . 1 1 4 4 TRP HH2 H . . . . . . . 5.18 . . . . . A . 5 ALA HA . . A . 4 TRP HH2 . . . 5 ALA HA . . . . . 4 TRP HH2 . . c25522_2n0e 1 97 1 . . 1 1 5 5 ALA MB H . . . 1 1 4 4 TRP HH2 H . . . . . . . 4.48 . . . . . A . 5 ALA MB . . A . 4 TRP HH2 . . . 5 ALA QB . . . . . 4 TRP HH2 . . c25522_2n0e 1 98 1 . . 1 1 4 4 TRP HZ3 H . . . 1 1 9 9 LEU HA H . . . . . . . 5.50 . . . . . A . 4 TRP HZ3 . . A . 9 LEU HA . . . 4 TRP HZ3 . . . . . 9 LEU HA . . c25522_2n0e 1 99 1 . . 1 1 5 5 ALA HA H . . . 1 1 4 4 TRP HZ3 H . . . . . . . 4.05 . . . . . A . 5 ALA HA . . A . 4 TRP HZ3 . . . 5 ALA HA . . . . . 4 TRP HZ3 . . c25522_2n0e 1 100 1 OR . 1 1 8 8 HIS HD2 H . . . 1 1 7 7 GLY HA2 H . . . . . . . 4.76 . . . . . A . 8 HIS HD2 . . A . 7 GLY HA2 . . . 8 HIS HD2 . . . . . 7 GLY QA . . c25522_2n0e 1 100 2 OR . 1 1 7 7 GLY HA3 H . . . 1 1 8 8 HIS HD2 H . . . . . . . 4.76 . . . . . A . 7 GLY HA3 . . A . 8 HIS HD2 . . . 7 GLY QA . . . . . 8 HIS HD2 . . c25522_2n0e 1 101 1 . . 1 1 9 9 LEU HG H . . . 1 1 4 4 TRP HZ3 H . . . . . . . 4.43 . . . . . A . 9 LEU HG . . A . 4 TRP HZ3 . . . 9 LEU HG . . . . . 4 TRP HZ3 . . c25522_2n0e 1 102 1 . . 1 1 5 5 ALA MB H . . . 1 1 4 4 TRP HZ3 H . . . . . . . 4.35 . . . . . A . 5 ALA MB . . A . 4 TRP HZ3 . . . 5 ALA QB . . . . . 4 TRP HZ3 . . c25522_2n0e 1 103 1 . . 1 1 9 9 LEU MD2 H . . . 1 1 4 4 TRP HZ3 H . . . . . . . 4.24 . . . . . A . 9 LEU MD2 . . A . 4 TRP HZ3 . . . 9 LEU QD2 . . . . . 4 TRP HZ3 . . c25522_2n0e 1 104 1 . . 1 1 6 6 VAL MG1 H . . . 1 1 3 3 HIS HD2 H . . . . . . . 4.83 . . . . . A . 6 VAL MG1 . . A . 3 HIS HD2 . . . 6 VAL QG1 . . . . . 3 HIS HD2 . . c25522_2n0e 1 105 1 . . 1 1 4 4 TRP HE3 H . . . 1 1 8 8 HIS HE1 H . . . . . . . 5.44 . . . . . A . 4 TRP HE3 . . A . 8 HIS HE1 . . . 4 TRP HE3 . . . . . 8 HIS HE1 . . c25522_2n0e 1 106 1 . . 1 1 4 4 TRP H H . . . 1 1 4 4 TRP HE3 H . . . . . . . 4.84 . . . . . A . 4 TRP H . . A . 4 TRP HE3 . . . 4 TRP H . . . . . 4 TRP HE3 . . c25522_2n0e 1 107 1 . . 1 1 6 6 VAL H H . . . 1 1 8 8 HIS H H . . . . . . . 4.78 . . . . . A . 6 VAL H . . A . 8 HIS H . . . 6 VAL H . . . . . 8 HIS H . . c25522_2n0e 1 108 1 . . 1 1 6 6 VAL H H . . . 1 1 4 4 TRP H H . . . . . . . 4.46 . . . . . A . 6 VAL H . . A . 4 TRP H . . . 6 VAL H . . . . . 4 TRP H . . c25522_2n0e 1 109 1 . . 1 1 4 4 TRP H H . . . 1 1 4 4 TRP HD1 H . . . . . . . 3.48 . . . . . A . 4 TRP H . . A . 4 TRP HD1 . . . 4 TRP H . . . . . 4 TRP HD1 . . c25522_2n0e 1 110 1 . . 1 1 5 5 ALA H H . . . 1 1 4 4 TRP HZ3 H . . . . . . . 4.77 . . . . . A . 5 ALA H . . A . 4 TRP HZ3 . . . 5 ALA H . . . . . 4 TRP HZ3 . . c25522_2n0e 1 111 1 . . 1 1 4 4 TRP HE3 H . . . 1 1 3 3 HIS HD2 H . . . . . . . 5.31 . . . . . A . 4 TRP HE3 . . A . 3 HIS HD2 . . . 4 TRP HE3 . . . . . 3 HIS HD2 . . c25522_2n0e 1 112 1 . . 1 1 5 5 ALA H H . . . 1 1 3 3 HIS HD2 H . . . . . . . 4.52 . . . . . A . 5 ALA H . . A . 3 HIS HD2 . . . 5 ALA H . . . . . 3 HIS HD2 . . c25522_2n0e 1 113 1 . . 1 1 4 4 TRP HE3 H . . . 1 1 4 4 TRP HA H . . . . . . . 4.78 . . . . . A . 4 TRP HE3 . . A . 4 TRP HA . . . 4 TRP HE3 . . . . . 4 TRP HA . . c25522_2n0e 1 114 1 . . 1 1 4 4 TRP HD1 H . . . 1 1 4 4 TRP HA H . . . . . . . 5.50 . . . . . A . 4 TRP HD1 . . A . 4 TRP HA . . . 4 TRP HD1 . . . . . 4 TRP HA . . c25522_2n0e 1 115 1 . . 1 1 8 8 HIS HA H . . . 1 1 9 9 LEU HA H . . . . . . . 4.61 . . . . . A . 8 HIS HA . . A . 9 LEU HA . . . 8 HIS HA . . . . . 9 LEU HA . . c25522_2n0e 1 116 1 . . 1 1 9 9 LEU HA H . . . 1 1 10 10 MET HA H . . . . . . . 4.58 . . . . . A . 9 LEU HA . . A . 10 MET HA . . . 9 LEU HA . . . . . 10 MET HA . . c25522_2n0e 1 117 1 . . 1 1 3 3 HIS HA H . . . 1 1 2 2 ASN HA H . . . . . . . 4.35 . . . . . A . 3 HIS HA . . A . 2 ASN HA . . . 3 HIS HA . . . . . 2 ASN HA . . c25522_2n0e 1 118 1 . . 1 1 4 4 TRP HA H . . . 1 1 5 5 ALA HA H . . . . . . . 5.23 . . . . . A . 4 TRP HA . . A . 5 ALA HA . . . 4 TRP HA . . . . . 5 ALA HA . . c25522_2n0e 1 119 1 . . 1 1 8 8 HIS HA H . . . 1 1 5 5 ALA HA H . . . . . . . 5.50 . . . . . A . 8 HIS HA . . A . 5 ALA HA . . . 8 HIS HA . . . . . 5 ALA HA . . c25522_2n0e 1 120 1 . . 1 1 10 10 MET ME H . . . 1 1 5 5 ALA HA H . . . . . . . 4.82 . . . . . A . 10 MET ME . . A . 5 ALA HA . . . 10 MET QE . . . . . 5 ALA HA . . c25522_2n0e 1 121 1 . . 1 1 9 9 LEU HG H . . . 1 1 5 5 ALA HA H . . . . . . . 5.22 . . . . . A . 9 LEU HG . . A . 5 ALA HA . . . 9 LEU HG . . . . . 5 ALA HA . . c25522_2n0e 1 122 1 OR . 1 1 8 8 HIS HA H . . . 1 1 7 7 GLY HA2 H . . . . . . . 4.16 . . . . . A . 8 HIS HA . . A . 7 GLY HA2 . . . 8 HIS HA . . . . . 7 GLY QA . . c25522_2n0e 1 122 2 OR . 1 1 7 7 GLY HA3 H . . . 1 1 8 8 HIS HA H . . . . . . . 4.16 . . . . . A . 7 GLY HA3 . . A . 8 HIS HA . . . 7 GLY QA . . . . . 8 HIS HA . . c25522_2n0e 1 123 1 OR . 1 1 3 3 HIS HB3 H . . . 1 1 4 4 TRP HB2 H . . . . . . . 4.65 . . . . . A . 3 HIS HB3 . . A . 4 TRP HB2 . . . 3 HIS QB . . . . . 4 TRP QB . . c25522_2n0e 1 123 2 OR . 1 1 3 3 HIS HB2 H . . . 1 1 4 4 TRP HB2 H . . . . . . . 4.65 . . . . . A . 3 HIS HB2 . . A . 4 TRP HB2 . . . 3 HIS QB . . . . . 4 TRP QB . . c25522_2n0e 1 123 3 OR . 1 1 4 4 TRP HB3 H . . . 1 1 3 3 HIS HB2 H . . . . . . . 4.65 . . . . . A . 4 TRP HB3 . . A . 3 HIS HB2 . . . 4 TRP QB . . . . . 3 HIS QB . . c25522_2n0e 1 123 4 OR . 1 1 3 3 HIS HB3 H . . . 1 1 4 4 TRP HB3 H . . . . . . . 4.65 . . . . . A . 3 HIS HB3 . . A . 4 TRP HB3 . . . 3 HIS QB . . . . . 4 TRP QB . . c25522_2n0e 1 124 1 OR . 1 1 3 3 HIS HA H . . . 1 1 2 2 ASN HB2 H . . . . . . . 4.81 . . . . . A . 3 HIS HA . . A . 2 ASN HB2 . . . 3 HIS HA . . . . . 2 ASN QB . . c25522_2n0e 1 124 2 OR . 1 1 3 3 HIS HA H . . . 1 1 2 2 ASN HB3 H . . . . . . . 4.81 . . . . . A . 3 HIS HA . . A . 2 ASN HB3 . . . 3 HIS HA . . . . . 2 ASN QB . . c25522_2n0e 1 125 1 OR . 1 1 2 2 ASN HB2 H . . . 1 1 3 3 HIS HB2 H . . . . . . . 4.87 . . . . . A . 2 ASN HB2 . . A . 3 HIS HB2 . . . 2 ASN QB . . . . . 3 HIS QB . . c25522_2n0e 1 125 2 OR . 1 1 2 2 ASN HB3 H . . . 1 1 3 3 HIS HB2 H . . . . . . . 4.87 . . . . . A . 2 ASN HB3 . . A . 3 HIS HB2 . . . 2 ASN QB . . . . . 3 HIS QB . . c25522_2n0e 1 125 3 OR . 1 1 3 3 HIS HB3 H . . . 1 1 2 2 ASN HB2 H . . . . . . . 4.87 . . . . . A . 3 HIS HB3 . . A . 2 ASN HB2 . . . 3 HIS QB . . . . . 2 ASN QB . . c25522_2n0e 1 125 4 OR . 1 1 2 2 ASN HB3 H . . . 1 1 3 3 HIS HB3 H . . . . . . . 4.87 . . . . . A . 2 ASN HB3 . . A . 3 HIS HB3 . . . 2 ASN QB . . . . . 3 HIS QB . . c25522_2n0e 1 126 1 OR . 1 1 8 8 HIS HB3 H . . . 1 1 7 7 GLY HA2 H . . . . . . . 5.50 . . . . . A . 8 HIS HB3 . . A . 7 GLY HA2 . . . 8 HIS HB3 . . . . . 7 GLY QA . . c25522_2n0e 1 126 2 OR . 1 1 7 7 GLY HA3 H . . . 1 1 8 8 HIS HB3 H . . . . . . . 5.50 . . . . . A . 7 GLY HA3 . . A . 8 HIS HB3 . . . 7 GLY QA . . . . . 8 HIS HB3 . . c25522_2n0e 1 127 1 OR . 1 1 8 8 HIS HB2 H . . . 1 1 7 7 GLY HA2 H . . . . . . . 4.77 . . . . . A . 8 HIS HB2 . . A . 7 GLY HA2 . . . 8 HIS HB2 . . . . . 7 GLY QA . . c25522_2n0e 1 127 2 OR . 1 1 7 7 GLY HA3 H . . . 1 1 8 8 HIS HB2 H . . . . . . . 4.77 . . . . . A . 7 GLY HA3 . . A . 8 HIS HB2 . . . 7 GLY QA . . . . . 8 HIS HB2 . . c25522_2n0e 1 128 1 OR . 1 1 6 6 VAL HA H . . . 1 1 3 3 HIS HB2 H . . . . . . . 4.99 . . . . . A . 6 VAL HA . . A . 3 HIS HB2 . . . 6 VAL HA . . . . . 3 HIS QB . . c25522_2n0e 1 128 2 OR . 1 1 6 6 VAL HA H . . . 1 1 3 3 HIS HB3 H . . . . . . . 4.99 . . . . . A . 6 VAL HA . . A . 3 HIS HB3 . . . 6 VAL HA . . . . . 3 HIS QB . . c25522_2n0e 1 129 1 . . 1 1 9 9 LEU HG H . . . 1 1 8 8 HIS HB2 H . . . . . . . 5.12 . . . . . A . 9 LEU HG . . A . 8 HIS HB2 . . . 9 LEU HG . . . . . 8 HIS HB2 . . c25522_2n0e 1 130 1 OR . 1 1 6 6 VAL HB H . . . 1 1 3 3 HIS HB2 H . . . . . . . 4.71 . . . . . A . 6 VAL HB . . A . 3 HIS HB2 . . . 6 VAL HB . . . . . 3 HIS QB . . c25522_2n0e 1 130 2 OR . 1 1 6 6 VAL HB H . . . 1 1 3 3 HIS HB3 H . . . . . . . 4.71 . . . . . A . 6 VAL HB . . A . 3 HIS HB3 . . . 6 VAL HB . . . . . 3 HIS QB . . c25522_2n0e 1 131 1 OR . 1 1 6 6 VAL H H . . . 1 1 4 4 TRP HB2 H . . . . . . . 4.80 . . . . . A . 6 VAL H . . A . 4 TRP HB2 . . . 6 VAL H . . . . . 4 TRP QB . . c25522_2n0e 1 131 2 OR . 1 1 6 6 VAL H H . . . 1 1 4 4 TRP HB3 H . . . . . . . 4.80 . . . . . A . 6 VAL H . . A . 4 TRP HB3 . . . 6 VAL H . . . . . 4 TRP QB . . c25522_2n0e 1 132 1 OR . 1 1 4 4 TRP H H . . . 1 1 4 4 TRP HB2 H . . . . . . . 2.95 . . . . . A . 4 TRP H . . A . 4 TRP HB2 . . . 4 TRP H . . . . . 4 TRP QB . . c25522_2n0e 1 132 2 OR . 1 1 4 4 TRP H H . . . 1 1 4 4 TRP HB3 H . . . . . . . 2.95 . . . . . A . 4 TRP H . . A . 4 TRP HB3 . . . 4 TRP H . . . . . 4 TRP QB . . c25522_2n0e 1 133 1 OR . 1 1 5 5 ALA H H . . . 1 1 4 4 TRP HB2 H . . . . . . . 3.38 . . . . . A . 5 ALA H . . A . 4 TRP HB2 . . . 5 ALA H . . . . . 4 TRP QB . . c25522_2n0e 1 133 2 OR . 1 1 5 5 ALA H H . . . 1 1 4 4 TRP HB3 H . . . . . . . 3.38 . . . . . A . 5 ALA H . . A . 4 TRP HB3 . . . 5 ALA H . . . . . 4 TRP QB . . c25522_2n0e 1 134 1 . . 1 1 6 6 VAL HA H . . . 1 1 10 10 MET HG2 H . . . . . . . 5.38 . . . . . A . 6 VAL HA . . A . 10 MET HG2 . . . 6 VAL HA . . . . . 10 MET HG2 . . c25522_2n0e 1 135 1 . . 1 1 6 6 VAL HA H . . . 1 1 10 10 MET HG3 H . . . . . . . 5.38 . . . . . A . 6 VAL HA . . A . 10 MET HG3 . . . 6 VAL HA . . . . . 10 MET HG3 . . c25522_2n0e 1 136 1 OR . 1 1 4 4 TRP H H . . . 1 1 2 2 ASN HB2 H . . . . . . . 5.50 . . . . . A . 4 TRP H . . A . 2 ASN HB2 . . . 4 TRP H . . . . . 2 ASN QB . . c25522_2n0e 1 136 2 OR . 1 1 4 4 TRP H H . . . 1 1 2 2 ASN HB3 H . . . . . . . 5.50 . . . . . A . 4 TRP H . . A . 2 ASN HB3 . . . 4 TRP H . . . . . 2 ASN QB . . c25522_2n0e 1 137 1 . . 1 1 6 6 VAL H H . . . 1 1 6 6 VAL HB H . . . . . . . 3.67 . . . . . A . 6 VAL H . . A . 6 VAL HB . . . 6 VAL H . . . . . 6 VAL HB . . c25522_2n0e 1 138 1 . . 1 1 9 9 LEU HG H . . . 1 1 9 9 LEU HA H . . . . . . . 3.67 . . . . . A . 9 LEU HG . . A . 9 LEU HA . . . 9 LEU HG . . . . . 9 LEU HA . . c25522_2n0e 1 139 1 . . 1 1 9 9 LEU HB3 H . . . 1 1 10 10 MET HA H . . . . . . . 5.00 . . . . . A . 9 LEU HB3 . . A . 10 MET HA . . . 9 LEU HB3 . . . . . 10 MET HA . . c25522_2n0e 1 140 1 . . 1 1 9 9 LEU HG H . . . 1 1 8 8 HIS HA H . . . . . . . 5.40 . . . . . A . 9 LEU HG . . A . 8 HIS HA . . . 9 LEU HG . . . . . 8 HIS HA . . c25522_2n0e 1 141 1 . . 1 1 9 9 LEU HB2 H . . . 1 1 8 8 HIS HA H . . . . . . . 5.50 . . . . . A . 9 LEU HB2 . . A . 8 HIS HA . . . 9 LEU HB2 . . . . . 8 HIS HA . . c25522_2n0e 1 142 1 . . 1 1 9 9 LEU HB2 H . . . 1 1 10 10 MET ME H . . . . . . . 4.61 . . . . . A . 9 LEU HB2 . . A . 10 MET ME . . . 9 LEU HB2 . . . . . 10 MET QE . . c25522_2n0e 1 143 1 . . 1 1 9 9 LEU HB3 H . . . 1 1 10 10 MET ME H . . . . . . . 5.17 . . . . . A . 9 LEU HB3 . . A . 10 MET ME . . . 9 LEU HB3 . . . . . 10 MET QE . . c25522_2n0e 1 144 1 . . 1 1 9 9 LEU HG H . . . 1 1 8 8 HIS HB3 H . . . . . . . 5.02 . . . . . A . 9 LEU HG . . A . 8 HIS HB3 . . . 9 LEU HG . . . . . 8 HIS HB3 . . c25522_2n0e 1 145 1 . . 1 1 5 5 ALA MB H . . . 1 1 4 4 TRP HA H . . . . . . . 5.11 . . . . . A . 5 ALA MB . . A . 4 TRP HA . . . 5 ALA QB . . . . . 4 TRP HA . . c25522_2n0e 1 146 1 . . 1 1 6 6 VAL HA H . . . 1 1 5 5 ALA MB H . . . . . . . 4.05 . . . . . A . 6 VAL HA . . A . 5 ALA MB . . . 6 VAL HA . . . . . 5 ALA QB . . c25522_2n0e 1 147 1 . . 1 1 5 5 ALA MB H . . . 1 1 8 8 HIS HB3 H . . . . . . . 4.72 . . . . . A . 5 ALA MB . . A . 8 HIS HB3 . . . 5 ALA QB . . . . . 8 HIS HB3 . . c25522_2n0e 1 148 1 . . 1 1 5 5 ALA MB H . . . 1 1 8 8 HIS HB2 H . . . . . . . 4.56 . . . . . A . 5 ALA MB . . A . 8 HIS HB2 . . . 5 ALA QB . . . . . 8 HIS HB2 . . c25522_2n0e 1 149 1 . . 1 1 9 9 LEU H H . . . 1 1 5 5 ALA MB H . . . . . . . 4.25 . . . . . A . 9 LEU H . . A . 5 ALA MB . . . 9 LEU H . . . . . 5 ALA QB . . c25522_2n0e 1 150 1 OR . 1 1 6 6 VAL MG2 H . . . 1 1 2 2 ASN HB2 H . . . . . . . 4.60 . . . . . A . 6 VAL MG2 . . A . 2 ASN HB2 . . . 6 VAL QG2 . . . . . 2 ASN QB . . c25522_2n0e 1 150 2 OR . 1 1 6 6 VAL MG2 H . . . 1 1 2 2 ASN HB3 H . . . . . . . 4.60 . . . . . A . 6 VAL MG2 . . A . 2 ASN HB3 . . . 6 VAL QG2 . . . . . 2 ASN QB . . c25522_2n0e 1 151 1 OR . 1 1 6 6 VAL MG2 H . . . 1 1 4 4 TRP HB2 H . . . . . . . 4.85 . . . . . A . 6 VAL MG2 . . A . 4 TRP HB2 . . . 6 VAL QG2 . . . . . 4 TRP QB . . c25522_2n0e 1 151 2 OR . 1 1 6 6 VAL MG2 H . . . 1 1 4 4 TRP HB3 H . . . . . . . 4.85 . . . . . A . 6 VAL MG2 . . A . 4 TRP HB3 . . . 6 VAL QG2 . . . . . 4 TRP QB . . c25522_2n0e 1 152 1 . . 1 1 6 6 VAL HA H . . . 1 1 6 6 VAL MG2 H . . . . . . . 3.45 . . . . . A . 6 VAL HA . . A . 6 VAL MG2 . . . 6 VAL HA . . . . . 6 VAL QG2 . . c25522_2n0e 1 153 1 OR . 1 1 6 6 VAL MG2 H . . . 1 1 7 7 GLY HA2 H . . . . . . . 3.67 . . . . . A . 6 VAL MG2 . . A . 7 GLY HA2 . . . 6 VAL QG2 . . . . . 7 GLY QA . . c25522_2n0e 1 153 2 OR . 1 1 6 6 VAL MG2 H . . . 1 1 7 7 GLY HA3 H . . . . . . . 3.67 . . . . . A . 6 VAL MG2 . . A . 7 GLY HA3 . . . 6 VAL QG2 . . . . . 7 GLY QA . . c25522_2n0e 1 154 1 . . 1 1 6 6 VAL MG2 H . . . 1 1 5 5 ALA HA H . . . . . . . 4.65 . . . . . A . 6 VAL MG2 . . A . 5 ALA HA . . . 6 VAL QG2 . . . . . 5 ALA HA . . c25522_2n0e 1 155 1 . . 1 1 6 6 VAL MG2 H . . . 1 1 4 4 TRP HA H . . . . . . . 3.88 . . . . . A . 6 VAL MG2 . . A . 4 TRP HA . . . 6 VAL QG2 . . . . . 4 TRP HA . . c25522_2n0e 1 156 1 . . 1 1 6 6 VAL MG1 H . . . 1 1 5 5 ALA MB H . . . . . . . 4.22 . . . . . A . 6 VAL MG1 . . A . 5 ALA MB . . . 6 VAL QG1 . . . . . 5 ALA QB . . c25522_2n0e 1 157 1 . . 1 1 6 6 VAL MG1 H . . . 1 1 10 10 MET HG2 H . . . . . . . 4.74 . . . . . A . 6 VAL MG1 . . A . 10 MET HG2 . . . 6 VAL QG1 . . . . . 10 MET HG2 . . c25522_2n0e 1 158 1 . . 1 1 6 6 VAL MG1 H . . . 1 1 10 10 MET HG3 H . . . . . . . 4.74 . . . . . A . 6 VAL MG1 . . A . 10 MET HG3 . . . 6 VAL QG1 . . . . . 10 MET HG3 . . c25522_2n0e 1 159 1 OR . 1 1 6 6 VAL MG1 H . . . 1 1 2 2 ASN HB2 H . . . . . . . 5.36 . . . . . A . 6 VAL MG1 . . A . 2 ASN HB2 . . . 6 VAL QG1 . . . . . 2 ASN QB . . c25522_2n0e 1 159 2 OR . 1 1 6 6 VAL MG1 H . . . 1 1 2 2 ASN HB3 H . . . . . . . 5.36 . . . . . A . 6 VAL MG1 . . A . 2 ASN HB3 . . . 6 VAL QG1 . . . . . 2 ASN QB . . c25522_2n0e 1 160 1 OR . 1 1 6 6 VAL MG1 H . . . 1 1 3 3 HIS HB2 H . . . . . . . 4.77 . . . . . A . 6 VAL MG1 . . A . 3 HIS HB2 . . . 6 VAL QG1 . . . . . 3 HIS QB . . c25522_2n0e 1 160 2 OR . 1 1 6 6 VAL MG1 H . . . 1 1 3 3 HIS HB3 H . . . . . . . 4.77 . . . . . A . 6 VAL MG1 . . A . 3 HIS HB3 . . . 6 VAL QG1 . . . . . 3 HIS QB . . c25522_2n0e 1 161 1 OR . 1 1 6 6 VAL MG1 H . . . 1 1 4 4 TRP HB2 H . . . . . . . 5.50 . . . . . A . 6 VAL MG1 . . A . 4 TRP HB2 . . . 6 VAL QG1 . . . . . 4 TRP QB . . c25522_2n0e 1 161 2 OR . 1 1 6 6 VAL MG1 H . . . 1 1 4 4 TRP HB3 H . . . . . . . 5.50 . . . . . A . 6 VAL MG1 . . A . 4 TRP HB3 . . . 6 VAL QG1 . . . . . 4 TRP QB . . c25522_2n0e 1 162 1 . . 1 1 6 6 VAL MG1 H . . . 1 1 5 5 ALA HA H . . . . . . . 5.30 . . . . . A . 6 VAL MG1 . . A . 5 ALA HA . . . 6 VAL QG1 . . . . . 5 ALA HA . . c25522_2n0e 1 163 1 . . 1 1 6 6 VAL MG1 H . . . 1 1 3 3 HIS HA H . . . . . . . 4.96 . . . . . A . 6 VAL MG1 . . A . 3 HIS HA . . . 6 VAL QG1 . . . . . 3 HIS HA . . c25522_2n0e 1 164 1 . . 1 1 6 6 VAL MG1 H . . . 1 1 4 4 TRP HA H . . . . . . . 5.48 . . . . . A . 6 VAL MG1 . . A . 4 TRP HA . . . 6 VAL QG1 . . . . . 4 TRP HA . . c25522_2n0e 1 165 1 . . 1 1 9 9 LEU MD2 H . . . 1 1 5 5 ALA MB H . . . . . . . 4.47 . . . . . A . 9 LEU MD2 . . A . 5 ALA MB . . . 9 LEU QD2 . . . . . 5 ALA QB . . c25522_2n0e 1 166 1 . . 1 1 9 9 LEU MD2 H . . . 1 1 8 8 HIS HB2 H . . . . . . . 5.50 . . . . . A . 9 LEU MD2 . . A . 8 HIS HB2 . . . 9 LEU QD2 . . . . . 8 HIS HB2 . . c25522_2n0e 1 167 1 . . 1 1 9 9 LEU MD2 H . . . 1 1 8 8 HIS HB3 H . . . . . . . 4.91 . . . . . A . 9 LEU MD2 . . A . 8 HIS HB3 . . . 9 LEU QD2 . . . . . 8 HIS HB3 . . c25522_2n0e 1 168 1 . . 1 1 9 9 LEU MD2 H . . . 1 1 9 9 LEU HA H . . . . . . . 3.06 . . . . . A . 9 LEU MD2 . . A . 9 LEU HA . . . 9 LEU QD2 . . . . . 9 LEU HA . . c25522_2n0e 1 169 1 OR . 1 1 2 2 ASN HA H . . . 1 1 2 2 ASN HD21 H . . . . . . . 3.44 . . . . . A . 2 ASN HA . . A . 2 ASN HD21 . . . 2 ASN HA . . . . . 2 ASN QD2 . . c25522_2n0e 1 169 2 OR . 1 1 2 2 ASN HA H . . . 1 1 2 2 ASN HD22 H . . . . . . . 3.44 . . . . . A . 2 ASN HA . . A . 2 ASN HD22 . . . 2 ASN HA . . . . . 2 ASN QD2 . . c25522_2n0e 1 170 1 OR . 1 1 2 2 ASN HD21 H . . . 1 1 2 2 ASN HB3 H . . . . . . . 3.09 . . . . . A . 2 ASN HD21 . . A . 2 ASN HB3 . . . 2 ASN QD2 . . . . . 2 ASN QB . . c25522_2n0e 1 170 2 OR . 1 1 2 2 ASN HD22 H . . . 1 1 2 2 ASN HB3 H . . . . . . . 3.09 . . . . . A . 2 ASN HD22 . . A . 2 ASN HB3 . . . 2 ASN QD2 . . . . . 2 ASN QB . . c25522_2n0e 1 170 3 OR . 1 1 2 2 ASN HD22 H . . . 1 1 2 2 ASN HB2 H . . . . . . . 3.09 . . . . . A . 2 ASN HD22 . . A . 2 ASN HB2 . . . 2 ASN QD2 . . . . . 2 ASN QB . . c25522_2n0e 1 170 4 OR . 1 1 2 2 ASN HD21 H . . . 1 1 2 2 ASN HB2 H . . . . . . . 3.09 . . . . . A . 2 ASN HD21 . . A . 2 ASN HB2 . . . 2 ASN QD2 . . . . . 2 ASN QB . . c25522_2n0e 1 171 1 OR . 1 1 6 6 VAL HA H . . . 1 1 10 10 MET HG3 H . . . . . . . 4.74 . . . . . A . 6 VAL HA . . A . 10 MET HG3 . . . 6 VAL HA . . . . . 10 MET QG . . c25522_2n0e 1 171 2 OR . 1 1 6 6 VAL HA H . . . 1 1 10 10 MET HG2 H . . . . . . . 4.74 . . . . . A . 6 VAL HA . . A . 10 MET HG2 . . . 6 VAL HA . . . . . 10 MET QG . . c25522_2n0e 1 172 1 OR . 1 1 6 6 VAL MG1 H . . . 1 1 10 10 MET HG3 H . . . . . . . 4.13 . . . . . A . 6 VAL MG1 . . A . 10 MET HG3 . . . 6 VAL QG1 . . . . . 10 MET QG . . c25522_2n0e 1 172 2 OR . 1 1 6 6 VAL MG1 H . . . 1 1 10 10 MET HG2 H . . . . . . . 4.13 . . . . . A . 6 VAL MG1 . . A . 10 MET HG2 . . . 6 VAL QG1 . . . . . 10 MET QG . . c25522_2n0e 1 173 1 OR . 1 1 9 9 LEU HB2 H . . . 1 1 10 10 MET HG3 H . . . . . . . 5.08 . . . . . A . 9 LEU HB2 . . A . 10 MET HG3 . . . 9 LEU HB2 . . . . . 10 MET QG . . c25522_2n0e 1 173 2 OR . 1 1 9 9 LEU HB2 H . . . 1 1 10 10 MET HG2 H . . . . . . . 5.08 . . . . . A . 9 LEU HB2 . . A . 10 MET HG2 . . . 9 LEU HB2 . . . . . 10 MET QG . . c25522_2n0e 1 174 1 OR . 1 1 9 9 LEU HB3 H . . . 1 1 10 10 MET HB3 H . . . . . . . 4.80 . . . . . A . 9 LEU HB3 . . A . 10 MET HB3 . . . 9 LEU HB3 . . . . . 10 MET QB . . c25522_2n0e 1 174 2 OR . 1 1 9 9 LEU HB3 H . . . 1 1 10 10 MET HB2 H . . . . . . . 4.80 . . . . . A . 9 LEU HB3 . . A . 10 MET HB2 . . . 9 LEU HB3 . . . . . 10 MET QB . . c25522_2n0e 1 175 1 OR . 1 1 9 9 LEU HB3 H . . . 1 1 10 10 MET HG3 H . . . . . . . 4.92 . . . . . A . 9 LEU HB3 . . A . 10 MET HG3 . . . 9 LEU HB3 . . . . . 10 MET QG . . c25522_2n0e 1 175 2 OR . 1 1 9 9 LEU HB3 H . . . 1 1 10 10 MET HG2 H . . . . . . . 4.92 . . . . . A . 9 LEU HB3 . . A . 10 MET HG2 . . . 9 LEU HB3 . . . . . 10 MET QG . . c25522_2n0e 1 176 1 OR . 1 1 10 10 MET H H . . . 1 1 10 10 MET HB3 H . . . . . . . 3.23 . . . . . A . 10 MET H . . A . 10 MET HB3 . . . 10 MET H . . . . . 10 MET QB . . c25522_2n0e 1 176 2 OR . 1 1 10 10 MET H H . . . 1 1 10 10 MET HB2 H . . . . . . . 3.23 . . . . . A . 10 MET H . . A . 10 MET HB2 . . . 10 MET H . . . . . 10 MET QB . . c25522_2n0e 1 177 1 OR . 1 1 10 10 MET H H . . . 1 1 10 10 MET HG3 H . . . . . . . 3.63 . . . . . A . 10 MET H . . A . 10 MET HG3 . . . 10 MET H . . . . . 10 MET QG . . c25522_2n0e 1 177 2 OR . 1 1 10 10 MET H H . . . 1 1 10 10 MET HG2 H . . . . . . . 3.63 . . . . . A . 10 MET H . . A . 10 MET HG2 . . . 10 MET H . . . . . 10 MET QG . . c25522_2n0e 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 c25522_2n0e _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 HORMONE 05-MAR-15 2N0E *TITLE NMR STRUCTURE OF NEUROMEDIN C IN 40% TFE *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: GASTRIN-RELEASING PEPTIDE; *COMPND 3 CHAIN: A; *COMPND 4 FRAGMENT: UNP RESIDUES 41-50; *COMPND 5 SYNONYM: GRP, NEUROMEDIN-C, GRP-10; *COMPND 6 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 NEUROPEPTIDE, FEEDING REGULATION, HORMONE *EXPDTA SOLUTION NMR *NUMMDL 20 *AUTHOR M.ADROVER, P.SANCHIS, B.VILANOVA, K.PAUWELS, G.MARTORELL, J.PEREZ *REVDAT 1 14-OCT-15 2N0E 0' save_