data_c18964_2m3i ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID c18964_2m3i _Entry.Title ; Characterization of a Novel Alpha4/6-Conotoxin TxIC from Conus textile that Potently Blocks alpha3beta4 Nicotinic Acetylcholine Receptors ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 2013-01-20 _Entry.Accession_date 2013-01-20 _Entry.Last_release_date 2013-12-02 _Entry.Original_release_date 2013-12-02 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Sulan Luo . . . c18964_2m3i 2 Dongting Zhangsun . . . c18964_2m3i 3 Xiaopeng Zhu . . . c18964_2m3i 4 Yong Wu . . . c18964_2m3i 5 Yuanyan Hu . . . c18964_2m3i 6 Sean Christensen . . . c18964_2m3i 7 Muharrem Akcan . . . c18964_2m3i 8 David Craik . J. . c18964_2m3i 9 'J. Michael' McIntosh . . . c18964_2m3i 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' . c18964_2m3i stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID ALPHA-CONOTOXIN . c18964_2m3i ALPHA-HELIX . c18964_2m3i 'DISULFIDE BONDS' . c18964_2m3i 'AMIDATED C-TERMINUS' . c18964_2m3i stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 c18964_2m3i stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 77 c18964_2m3i stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2013-12-02 2013-01-20 original author . c18964_2m3i stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID c18964_2m3i _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24200193 _Citation.Full_citation . _Citation.Title 'Characterization of a Novel Alpha4/6-Conotoxin TxIC from Conus textile that Potently Blocks alpha3beta4 Nicotinic Acetylcholine Receptors' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year 2013 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Sulan Luo . . . c18964_2m3i 1 2 Dongting Zhangsun . . . c18964_2m3i 1 3 Xiaopeng Zhu . . . c18964_2m3i 1 4 Yong Wu . . . c18964_2m3i 1 5 Yuanyan Hu . . . c18964_2m3i 1 6 Sean Christensen . . . c18964_2m3i 1 7 Muharrem Akcan . . . c18964_2m3i 1 8 David Craik . J. . c18964_2m3i 1 9 'J. Michael' McIntosh . . . c18964_2m3i 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID c18964_2m3i _Assembly.ID 1 _Assembly.Name 'Novel Alpha4/6-Conotoxin TxIC' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Novel Alpha4/6-Conotoxin TxIC' 1 $TxIC A . yes native no no . . . c18964_2m3i 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 TxIC 1 CYS 2 2 SG . 1 TxIC 1 CYS 8 8 SG . TxIC 2 CYS SG . TxIC 8 CYS SG c18964_2m3i 1 2 disulfide single . 1 TxIC 1 CYS 3 3 SG . 1 TxIC 1 CYS 15 15 SG . TxIC 3 CYS SG . TxIC 15 CYS SG c18964_2m3i 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_TxIC _Entity.Sf_category entity _Entity.Sf_framecode TxIC _Entity.Entry_ID c18964_2m3i _Entity.ID 1 _Entity.BMRB_code . _Entity.Name TxIC _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 GCCSHPVCSAMSPICX _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 yes _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 16 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 1493.806 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 GLY . c18964_2m3i 1 2 2 CYS . c18964_2m3i 1 3 3 CYS . c18964_2m3i 1 4 4 SER . c18964_2m3i 1 5 5 HIS . c18964_2m3i 1 6 6 PRO . c18964_2m3i 1 7 7 VAL . c18964_2m3i 1 8 8 CYS . c18964_2m3i 1 9 9 SER . c18964_2m3i 1 10 10 ALA . c18964_2m3i 1 11 11 MET . c18964_2m3i 1 12 12 SER . c18964_2m3i 1 13 13 PRO . c18964_2m3i 1 14 14 ILE . c18964_2m3i 1 15 15 CYS . c18964_2m3i 1 16 16 NH2 . c18964_2m3i 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 c18964_2m3i 1 . CYS 2 2 c18964_2m3i 1 . CYS 3 3 c18964_2m3i 1 . SER 4 4 c18964_2m3i 1 . HIS 5 5 c18964_2m3i 1 . PRO 6 6 c18964_2m3i 1 . VAL 7 7 c18964_2m3i 1 . CYS 8 8 c18964_2m3i 1 . SER 9 9 c18964_2m3i 1 . ALA 10 10 c18964_2m3i 1 . MET 11 11 c18964_2m3i 1 . SER 12 12 c18964_2m3i 1 . PRO 13 13 c18964_2m3i 1 . ILE 14 14 c18964_2m3i 1 . CYS 15 15 c18964_2m3i 1 . NH2 16 16 c18964_2m3i 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 c18964_2m3i _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $TxIC . 6494 organism . 'Conus Textile' 'Cloth-of-gold Cone' . . Eukaryota Metazoa Conus Textile . . . . . . . . . . . . . . . . . . . . . c18964_2m3i 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 c18964_2m3i _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $TxIC . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . c18964_2m3i 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 c18964_2m3i _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 c18964_2m3i NH2 N SMILES ACDLabs 10.04 c18964_2m3i NH2 [NH2] SMILES CACTVS 3.341 c18964_2m3i NH2 [NH2] SMILES 'OpenEye OEToolkits' 1.5.0 c18964_2m3i NH2 [NH2] SMILES_CANONICAL CACTVS 3.341 c18964_2m3i NH2 [NH2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 c18964_2m3i NH2 QGZKDVFQNNGYKY-UHFFFAOYAF InChIKey InChI 1.02b c18964_2m3i 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 c18964_2m3i NH2 l^{2}-azane 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 c18964_2m3i 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 HN1 HN1 HN1 1HN . H . . N 0 . . . 1 no no . . . . 9.517 . 8.769 . -7.044 . -0.385 -0.545 -0.771 2 . c18964_2m3i NH2 HN2 HN2 HN2 2HN . H . . N 0 . . . 1 no no . . . . 10.323 . 9.890 . -8.082 . 1.020 0.000 0.000 3 . c18964_2m3i NH2 N N N N . N . . N 0 . . . 1 no no . . . . 10.091 . 8.978 . -7.810 . 0.000 0.000 0.000 1 . c18964_2m3i 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 . c18964_2m3i NH2 2 . SING N HN2 no N 2 . c18964_2m3i NH2 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID c18964_2m3i _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '30% trifluoroethanol/70% 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 Conotoxin 'natural abundance' . . 1 $TxIC . . ~3 . . mg . . . . c18964_2m3i 1 2 H2O 'natural abundance' . . . . . . 70 . . % . . . . c18964_2m3i 1 3 Trifluoroethanol 'natural abundance' . . . . . . 30 . . % . . . . c18964_2m3i 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 c18964_2m3i _Sample_condition_list.ID 1 _Sample_condition_list.Details 'Approximately 3 mg of TxIC, 70% H2O, 30% TFE, pH 3.5' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID temperature 308 . K c18964_2m3i 1 pH 3.5 . pH c18964_2m3i 1 pressure 1 . atm c18964_2m3i 1 'ionic strength' 0 . M c18964_2m3i 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID c18964_2m3i _Software.ID 1 _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' . . c18964_2m3i 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' c18964_2m3i 1 stop_ save_ save_CNSSOLVE _Software.Sf_category software _Software.Sf_framecode CNSSOLVE _Software.Entry_ID c18964_2m3i _Software.ID 2 _Software.Name CNSSOLVE _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . c18964_2m3i 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement c18964_2m3i 2 stop_ save_ save_MolPROBITY _Software.Sf_category software _Software.Sf_framecode MolPROBITY _Software.Entry_ID c18964_2m3i _Software.ID 3 _Software.Name MolPROBITY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Richardson . . c18964_2m3i 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Structure validation' c18964_2m3i 3 stop_ save_ save_PROMOTIF _Software.Sf_category software _Software.Sf_framecode PROMOTIF _Software.Entry_ID c18964_2m3i _Software.ID 4 _Software.Name PROMOTIF _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Hutchinson, E. G., and Thornton, J. M' . . c18964_2m3i 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Structure validation' c18964_2m3i 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID c18964_2m3i _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID c18964_2m3i _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 . . . c18964_2m3i 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 c18964_2m3i _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 . . . . . . . . . . . . . . . . c18964_2m3i 1 2 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . c18964_2m3i 1 3 '2D DQF-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . c18964_2m3i 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 c18964_2m3i _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1.00000 . . . . . . . . . c18964_2m3i 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 c18964_2m3i _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' . . . c18964_2m3i 1 2 '2D 1H-1H NOESY' . . . c18964_2m3i 1 3 '2D DQF-COSY' . . . c18964_2m3i 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 3.979 0.000 . 1 . . . A 1 GLY HA2 . c18964_2m3i 1 2 . 1 1 1 1 GLY HA3 H 1 3.979 0.000 . 1 . . . A 1 GLY HA3 . c18964_2m3i 1 3 . 1 1 2 2 CYS H H 1 9.010 0.000 . 1 . . . A 2 CYS H . c18964_2m3i 1 4 . 1 1 2 2 CYS HA H 1 4.661 0.000 . 1 . . . A 2 CYS HA . c18964_2m3i 1 5 . 1 1 2 2 CYS HB2 H 1 2.904 0.000 . 1 . . . A 2 CYS HB2 . c18964_2m3i 1 6 . 1 1 2 2 CYS HB3 H 1 3.334 0.000 . 1 . . . A 2 CYS HB3 . c18964_2m3i 1 7 . 1 1 3 3 CYS H H 1 8.555 0.000 . 1 . . . A 3 CYS H . c18964_2m3i 1 8 . 1 1 3 3 CYS HA H 1 4.605 0.000 . 1 . . . A 3 CYS HA . c18964_2m3i 1 9 . 1 1 3 3 CYS HB2 H 1 2.887 0.000 . 1 . . . A 3 CYS HB2 . c18964_2m3i 1 10 . 1 1 3 3 CYS HB3 H 1 3.493 0.000 . 1 . . . A 3 CYS HB3 . c18964_2m3i 1 11 . 1 1 4 4 SER H H 1 7.895 0.000 . 1 . . . A 4 SER H . c18964_2m3i 1 12 . 1 1 4 4 SER HA H 1 4.506 0.001 . 1 . . . A 4 SER HA . c18964_2m3i 1 13 . 1 1 4 4 SER HB2 H 1 3.933 0.001 . 1 . . . A 4 SER HB2 . c18964_2m3i 1 14 . 1 1 4 4 SER HB3 H 1 3.933 0.001 . 1 . . . A 4 SER HB3 . c18964_2m3i 1 15 . 1 1 5 5 HIS H H 1 8.208 0.001 . 1 . . . A 5 HIS H . c18964_2m3i 1 16 . 1 1 5 5 HIS HA H 1 5.180 0.000 . 1 . . . A 5 HIS HA . c18964_2m3i 1 17 . 1 1 5 5 HIS HB2 H 1 3.456 0.000 . 1 . . . A 5 HIS HB2 . c18964_2m3i 1 18 . 1 1 5 5 HIS HB3 H 1 3.335 0.000 . 1 . . . A 5 HIS HB3 . c18964_2m3i 1 19 . 1 1 5 5 HIS HD2 H 1 7.415 0.000 . 1 . . . A 5 HIS HD2 . c18964_2m3i 1 20 . 1 1 6 6 PRO HA H 1 4.353 0.000 . 1 . . . A 6 PRO HA . c18964_2m3i 1 21 . 1 1 6 6 PRO HB2 H 1 2.420 0.000 . 1 . . . A 6 PRO HB2 . c18964_2m3i 1 22 . 1 1 6 6 PRO HB3 H 1 2.005 0.000 . 1 . . . A 6 PRO HB3 . c18964_2m3i 1 23 . 1 1 6 6 PRO HG2 H 1 2.099 0.000 . 1 . . . A 6 PRO HG2 . c18964_2m3i 1 24 . 1 1 6 6 PRO HG3 H 1 2.099 0.000 . 1 . . . A 6 PRO HG3 . c18964_2m3i 1 25 . 1 1 6 6 PRO HD2 H 1 3.693 0.000 . 1 . . . A 6 PRO HD2 . c18964_2m3i 1 26 . 1 1 6 6 PRO HD3 H 1 3.934 0.000 . 1 . . . A 6 PRO HD3 . c18964_2m3i 1 27 . 1 1 7 7 VAL H H 1 7.801 0.000 . 1 . . . A 7 VAL H . c18964_2m3i 1 28 . 1 1 7 7 VAL HA H 1 3.967 0.000 . 1 . . . A 7 VAL HA . c18964_2m3i 1 29 . 1 1 7 7 VAL HB H 1 2.132 0.000 . 1 . . . A 7 VAL HB . c18964_2m3i 1 30 . 1 1 7 7 VAL HG11 H 1 0.956 0.000 . 1 . . . A 7 VAL HG11 . c18964_2m3i 1 31 . 1 1 7 7 VAL HG12 H 1 0.956 0.000 . 1 . . . A 7 VAL HG12 . c18964_2m3i 1 32 . 1 1 7 7 VAL HG13 H 1 0.956 0.000 . 1 . . . A 7 VAL HG13 . c18964_2m3i 1 33 . 1 1 7 7 VAL HG21 H 1 1.018 0.000 . 1 . . . A 7 VAL HG21 . c18964_2m3i 1 34 . 1 1 7 7 VAL HG22 H 1 1.018 0.000 . 1 . . . A 7 VAL HG22 . c18964_2m3i 1 35 . 1 1 7 7 VAL HG23 H 1 1.018 0.000 . 1 . . . A 7 VAL HG23 . c18964_2m3i 1 36 . 1 1 8 8 CYS H H 1 8.039 0.001 . 1 . . . A 8 CYS H . c18964_2m3i 1 37 . 1 1 8 8 CYS HA H 1 4.297 0.000 . 1 . . . A 8 CYS HA . c18964_2m3i 1 38 . 1 1 8 8 CYS HB2 H 1 3.966 0.000 . 1 . . . A 8 CYS HB2 . c18964_2m3i 1 39 . 1 1 8 8 CYS HB3 H 1 3.765 0.001 . 1 . . . A 8 CYS HB3 . c18964_2m3i 1 40 . 1 1 9 9 SER H H 1 8.554 0.001 . 1 . . . A 9 SER H . c18964_2m3i 1 41 . 1 1 9 9 SER HA H 1 4.371 0.000 . 1 . . . A 9 SER HA . c18964_2m3i 1 42 . 1 1 9 9 SER HB2 H 1 4.042 0.002 . 1 . . . A 9 SER HB2 . c18964_2m3i 1 43 . 1 1 9 9 SER HB3 H 1 4.042 0.002 . 1 . . . A 9 SER HB3 . c18964_2m3i 1 44 . 1 1 10 10 ALA H H 1 7.636 0.000 . 1 . . . A 10 ALA H . c18964_2m3i 1 45 . 1 1 10 10 ALA HA H 1 4.261 0.000 . 1 . . . A 10 ALA HA . c18964_2m3i 1 46 . 1 1 10 10 ALA HB1 H 1 1.519 0.001 . 1 . . . A 10 ALA HB1 . c18964_2m3i 1 47 . 1 1 10 10 ALA HB2 H 1 1.519 0.001 . 1 . . . A 10 ALA HB2 . c18964_2m3i 1 48 . 1 1 10 10 ALA HB3 H 1 1.519 0.001 . 1 . . . A 10 ALA HB3 . c18964_2m3i 1 49 . 1 1 11 11 MET H H 1 7.628 0.000 . 1 . . . A 11 MET H . c18964_2m3i 1 50 . 1 1 11 11 MET HA H 1 4.597 0.000 . 1 . . . A 11 MET HA . c18964_2m3i 1 51 . 1 1 11 11 MET HB2 H 1 2.234 0.000 . 1 . . . A 11 MET HB2 . c18964_2m3i 1 52 . 1 1 11 11 MET HB3 H 1 2.125 0.000 . 1 . . . A 11 MET HB3 . c18964_2m3i 1 53 . 1 1 11 11 MET HG2 H 1 2.611 0.000 . 1 . . . A 11 MET HG2 . c18964_2m3i 1 54 . 1 1 11 11 MET HG3 H 1 2.710 0.000 . 1 . . . A 11 MET HG3 . c18964_2m3i 1 55 . 1 1 12 12 SER H H 1 7.577 0.000 . 1 . . . A 12 SER H . c18964_2m3i 1 56 . 1 1 12 12 SER HA H 1 5.066 0.000 . 1 . . . A 12 SER HA . c18964_2m3i 1 57 . 1 1 12 12 SER HB2 H 1 3.881 0.000 . 1 . . . A 12 SER HB2 . c18964_2m3i 1 58 . 1 1 12 12 SER HB3 H 1 4.004 0.000 . 1 . . . A 12 SER HB3 . c18964_2m3i 1 59 . 1 1 13 13 PRO HA H 1 4.495 0.000 . 1 . . . A 13 PRO HA . c18964_2m3i 1 60 . 1 1 13 13 PRO HB2 H 1 2.419 0.000 . 1 . . . A 13 PRO HB2 . c18964_2m3i 1 61 . 1 1 13 13 PRO HB3 H 1 2.419 0.000 . 1 . . . A 13 PRO HB3 . c18964_2m3i 1 62 . 1 1 13 13 PRO HG2 H 1 2.011 0.000 . 1 . . . A 13 PRO HG2 . c18964_2m3i 1 63 . 1 1 13 13 PRO HG3 H 1 2.078 0.000 . 1 . . . A 13 PRO HG3 . c18964_2m3i 1 64 . 1 1 13 13 PRO HD2 H 1 3.960 0.000 . 1 . . . A 13 PRO HD2 . c18964_2m3i 1 65 . 1 1 13 13 PRO HD3 H 1 3.960 0.000 . 1 . . . A 13 PRO HD3 . c18964_2m3i 1 66 . 1 1 14 14 ILE H H 1 7.420 0.001 . 1 . . . A 14 ILE H . c18964_2m3i 1 67 . 1 1 14 14 ILE HA H 1 4.186 0.000 . 1 . . . A 14 ILE HA . c18964_2m3i 1 68 . 1 1 14 14 ILE HB H 1 1.971 0.000 . 1 . . . A 14 ILE HB . c18964_2m3i 1 69 . 1 1 14 14 ILE HG12 H 1 1.473 0.000 . 1 . . . A 14 ILE HG12 . c18964_2m3i 1 70 . 1 1 14 14 ILE HG13 H 1 1.253 0.000 . 1 . . . A 14 ILE HG13 . c18964_2m3i 1 71 . 1 1 14 14 ILE HG21 H 1 0.951 0.000 . 1 . . . A 14 ILE HG21 . c18964_2m3i 1 72 . 1 1 14 14 ILE HG22 H 1 0.951 0.000 . 1 . . . A 14 ILE HG22 . c18964_2m3i 1 73 . 1 1 14 14 ILE HG23 H 1 0.951 0.000 . 1 . . . A 14 ILE HG23 . c18964_2m3i 1 74 . 1 1 15 15 CYS H H 1 7.782 0.000 . 1 . . . A 15 CYS H . c18964_2m3i 1 75 . 1 1 15 15 CYS HA H 1 4.754 0.001 . 1 . . . A 15 CYS HA . c18964_2m3i 1 76 . 1 1 15 15 CYS HB2 H 1 3.405 0.001 . 1 . . . A 15 CYS HB2 . c18964_2m3i 1 77 . 1 1 15 15 CYS HB3 H 1 3.144 0.000 . 1 . . . A 15 CYS HB3 . c18964_2m3i 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 c18964_2m3i _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 c18964_2m3i _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 . . . c18964_2m3i 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 . . . . c18964_2m3i 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 -4.152 5.407 -2.775 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c18964_2m3i 1 . 1 . 2 . 1 1 1 GLY CA C -4.101 6.903 -2.766 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c18964_2m3i 1 . 1 . 3 . 1 1 1 GLY H1 H -4.886 8.470 -1.632 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c18964_2m3i 1 . 1 . 4 . 1 1 1 GLY H2 H -4.645 7.023 -0.763 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H2 . . . . . . . . . c18964_2m3i 1 . 1 . 5 . 1 1 1 GLY H3 H -5.919 7.153 -1.839 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H3 . . . . . . . . . c18964_2m3i 1 . 1 . 6 . 1 1 1 GLY HA2 H -4.473 7.269 -3.711 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c18964_2m3i 1 . 1 . 7 . 1 1 1 GLY HA3 H -3.080 7.228 -2.635 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c18964_2m3i 1 . 1 . 8 . 1 1 1 GLY N N -4.930 7.432 -1.678 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c18964_2m3i 1 . 1 . 9 . 1 1 1 GLY O O -4.965 4.830 -2.068 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c18964_2m3i 1 . 1 . 10 . 1 1 2 CYS C C -2.794 2.795 -2.271 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . c18964_2m3i 1 . 1 . 11 . 1 1 2 CYS CA C -3.246 3.303 -3.620 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . c18964_2m3i 1 . 1 . 12 . 1 1 2 CYS CB C -2.233 2.859 -4.693 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . c18964_2m3i 1 . 1 . 13 . 1 1 2 CYS H H -2.609 5.271 -4.054 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . c18964_2m3i 1 . 1 . 14 . 1 1 2 CYS HA H -4.230 2.928 -3.855 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . c18964_2m3i 1 . 1 . 15 . 1 1 2 CYS HB2 H -2.211 3.601 -5.476 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . c18964_2m3i 1 . 1 . 16 . 1 1 2 CYS HB3 H -1.271 2.844 -4.203 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . c18964_2m3i 1 . 1 . 17 . 1 1 2 CYS N N -3.274 4.766 -3.536 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . c18964_2m3i 1 . 1 . 18 . 1 1 2 CYS O O -3.352 1.867 -1.724 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . c18964_2m3i 1 . 1 . 19 . 1 1 2 CYS SG S -2.493 1.204 -5.496 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . c18964_2m3i 1 . 1 . 20 . 1 1 3 CYS C C -2.187 3.299 0.769 . . . 1.0 . . . . . . . . . . . . A . 3 CYS C . . . . . . . . . c18964_2m3i 1 . 1 . 21 . 1 1 3 CYS CA C -1.211 3.145 -0.408 . . . 1.0 . . . . . . . . . . . . A . 3 CYS CA . . . . . . . . . c18964_2m3i 1 . 1 . 22 . 1 1 3 CYS CB C -0.009 4.015 -0.195 . . . 1.0 . . . . . . . . . . . . A . 3 CYS CB . . . . . . . . . c18964_2m3i 1 . 1 . 23 . 1 1 3 CYS H H -1.436 4.262 -2.175 . . . 1.0 . . . . . . . . . . . . A . 3 CYS H . . . . . . . . . c18964_2m3i 1 . 1 . 24 . 1 1 3 CYS HA H -0.880 2.120 -0.468 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HA . . . . . . . . . c18964_2m3i 1 . 1 . 25 . 1 1 3 CYS HB2 H -0.334 5.045 -0.162 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HB2 . . . . . . . . . c18964_2m3i 1 . 1 . 26 . 1 1 3 CYS HB3 H 0.412 3.738 0.755 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HB3 . . . . . . . . . c18964_2m3i 1 . 1 . 27 . 1 1 3 CYS N N -1.813 3.488 -1.701 . . . 1.0 . . . . . . . . . . . . A . 3 CYS N . . . . . . . . . c18964_2m3i 1 . 1 . 28 . 1 1 3 CYS O O -1.843 3.060 1.927 . . . 1.0 . . . . . . . . . . . . A . 3 CYS O . . . . . . . . . c18964_2m3i 1 . 1 . 29 . 1 1 3 CYS SG S 1.253 3.852 -1.501 . . . 1.0 . . . . . . . . . . . . A . 3 CYS SG . . . . . . . . . c18964_2m3i 1 . 1 . 30 . 1 1 4 SER C C -5.341 2.574 1.322 . . . 1.0 . . . . . . . . . . . . A . 4 SER C . . . . . . . . . c18964_2m3i 1 . 1 . 31 . 1 1 4 SER CA C -4.447 3.832 1.403 . . . 1.0 . . . . . . . . . . . . A . 4 SER CA . . . . . . . . . c18964_2m3i 1 . 1 . 32 . 1 1 4 SER CB C -5.270 5.070 1.047 . . . 1.0 . . . . . . . . . . . . A . 4 SER CB . . . . . . . . . c18964_2m3i 1 . 1 . 33 . 1 1 4 SER H H -3.493 3.940 -0.488 . . . 1.0 . . . . . . . . . . . . A . 4 SER H . . . . . . . . . c18964_2m3i 1 . 1 . 34 . 1 1 4 SER HA H -4.042 3.942 2.398 . . . 1.0 . . . . . . . . . . . . A . 4 SER HA . . . . . . . . . c18964_2m3i 1 . 1 . 35 . 1 1 4 SER HB2 H -5.839 4.877 0.150 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB2 . . . . . . . . . c18964_2m3i 1 . 1 . 36 . 1 1 4 SER HB3 H -5.940 5.305 1.860 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB3 . . . . . . . . . c18964_2m3i 1 . 1 . 37 . 1 1 4 SER HG H -3.972 6.360 1.659 . . . 1.0 . . . . . . . . . . . . A . 4 SER HG . . . . . . . . . c18964_2m3i 1 . 1 . 38 . 1 1 4 SER N N -3.367 3.707 0.455 . . . 1.0 . . . . . . . . . . . . A . 4 SER N . . . . . . . . . c18964_2m3i 1 . 1 . 39 . 1 1 4 SER O O -6.387 2.482 1.971 . . . 1.0 . . . . . . . . . . . . A . 4 SER O . . . . . . . . . c18964_2m3i 1 . 1 . 40 . 1 1 4 SER OG O -4.416 6.192 0.818 . . . 1.0 . . . . . . . . . . . . A . 4 SER OG . . . . . . . . . c18964_2m3i 1 . 1 . 41 . 1 1 5 HIS C C -4.791 -0.809 0.489 . . . 1.0 . . . . . . . . . . . . A . 5 HIS C . . . . . . . . . c18964_2m3i 1 . 1 . 42 . 1 1 5 HIS CA C -5.683 0.415 0.316 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CA . . . . . . . . . c18964_2m3i 1 . 1 . 43 . 1 1 5 HIS CB C -6.329 0.460 -1.083 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CB . . . . . . . . . c18964_2m3i 1 . 1 . 44 . 1 1 5 HIS CD2 C -7.046 -1.739 -2.222 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CD2 . . . . . . . . . c18964_2m3i 1 . 1 . 45 . 1 1 5 HIS CE1 C -8.994 -2.008 -1.312 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CE1 . . . . . . . . . c18964_2m3i 1 . 1 . 46 . 1 1 5 HIS CG C -7.233 -0.696 -1.395 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CG . . . . . . . . . c18964_2m3i 1 . 1 . 47 . 1 1 5 HIS H H -4.038 1.663 0.098 . . . 1.0 . . . . . . . . . . . . A . 5 HIS H . . . . . . . . . c18964_2m3i 1 . 1 . 48 . 1 1 5 HIS HA H -6.462 0.393 1.063 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HA . . . . . . . . . c18964_2m3i 1 . 1 . 49 . 1 1 5 HIS HB2 H -6.911 1.365 -1.161 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB2 . . . . . . . . . c18964_2m3i 1 . 1 . 50 . 1 1 5 HIS HB3 H -5.545 0.485 -1.825 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB3 . . . . . . . . . c18964_2m3i 1 . 1 . 51 . 1 1 5 HIS HD1 H -8.913 -0.271 -0.190 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD1 . . . . . . . . . c18964_2m3i 1 . 1 . 52 . 1 1 5 HIS HD2 H -6.179 -1.884 -2.850 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD2 . . . . . . . . . c18964_2m3i 1 . 1 . 53 . 1 1 5 HIS HE1 H -9.966 -2.398 -1.046 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HE1 . . . . . . . . . c18964_2m3i 1 . 1 . 54 . 1 1 5 HIS N N -4.916 1.607 0.539 . . . 1.0 . . . . . . . . . . . . A . 5 HIS N . . . . . . . . . c18964_2m3i 1 . 1 . 55 . 1 1 5 HIS ND1 N -8.474 -0.879 -0.829 . . . 1.0 . . . . . . . . . . . . A . 5 HIS ND1 . . . . . . . . . c18964_2m3i 1 . 1 . 56 . 1 1 5 HIS NE2 N -8.160 -2.574 -2.170 . . . 1.0 . . . . . . . . . . . . A . 5 HIS NE2 . . . . . . . . . c18964_2m3i 1 . 1 . 57 . 1 1 5 HIS O O -3.763 -0.920 -0.190 . . . 1.0 . . . . . . . . . . . . A . 5 HIS O . . . . . . . . . c18964_2m3i 1 . 1 . 58 . 1 1 6 PRO C C -3.438 -3.530 0.840 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . c18964_2m3i 1 . 1 . 59 . 1 1 6 PRO CA C -4.481 -2.953 1.816 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . c18964_2m3i 1 . 1 . 60 . 1 1 6 PRO CB C -5.608 -3.939 2.047 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . c18964_2m3i 1 . 1 . 61 . 1 1 6 PRO CD C -6.519 -1.695 2.095 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . c18964_2m3i 1 . 1 . 62 . 1 1 6 PRO CG C -6.705 -3.107 2.626 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . c18964_2m3i 1 . 1 . 63 . 1 1 6 PRO HA H -3.998 -2.781 2.766 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . c18964_2m3i 1 . 1 . 64 . 1 1 6 PRO HB2 H -5.895 -4.386 1.105 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB2 . . . . . . . . . c18964_2m3i 1 . 1 . 65 . 1 1 6 PRO HB3 H -5.291 -4.707 2.737 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . c18964_2m3i 1 . 1 . 66 . 1 1 6 PRO HD2 H -7.317 -1.455 1.408 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD2 . . . . . . . . . c18964_2m3i 1 . 1 . 67 . 1 1 6 PRO HD3 H -6.492 -0.985 2.908 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . c18964_2m3i 1 . 1 . 68 . 1 1 6 PRO HG2 H -7.664 -3.499 2.318 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG2 . . . . . . . . . c18964_2m3i 1 . 1 . 69 . 1 1 6 PRO HG3 H -6.633 -3.112 3.704 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . c18964_2m3i 1 . 1 . 70 . 1 1 6 PRO N N -5.216 -1.747 1.389 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . c18964_2m3i 1 . 1 . 71 . 1 1 6 PRO O O -2.276 -3.719 1.221 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . c18964_2m3i 1 . 1 . 72 . 1 1 7 VAL C C -1.726 -3.536 -1.721 . . . 1.0 . . . . . . . . . . . . A . 7 VAL C . . . . . . . . . c18964_2m3i 1 . 1 . 73 . 1 1 7 VAL CA C -2.928 -4.422 -1.352 . . . 1.0 . . . . . . . . . . . . A . 7 VAL CA . . . . . . . . . c18964_2m3i 1 . 1 . 74 . 1 1 7 VAL CB C -3.645 -4.974 -2.617 . . . 1.0 . . . . . . . . . . . . A . 7 VAL CB . . . . . . . . . c18964_2m3i 1 . 1 . 75 . 1 1 7 VAL CG1 C -4.555 -6.129 -2.233 . . . 1.0 . . . . . . . . . . . . A . 7 VAL CG1 . . . . . . . . . c18964_2m3i 1 . 1 . 76 . 1 1 7 VAL CG2 C -4.454 -3.895 -3.314 . . . 1.0 . . . . . . . . . . . . A . 7 VAL CG2 . . . . . . . . . c18964_2m3i 1 . 1 . 77 . 1 1 7 VAL H H -4.749 -3.574 -0.661 . . . 1.0 . . . . . . . . . . . . A . 7 VAL H . . . . . . . . . c18964_2m3i 1 . 1 . 78 . 1 1 7 VAL HA H -2.508 -5.263 -0.818 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HA . . . . . . . . . c18964_2m3i 1 . 1 . 79 . 1 1 7 VAL HB H -2.894 -5.344 -3.298 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HB . . . . . . . . . c18964_2m3i 1 . 1 . 80 . 1 1 7 VAL HG11 H -5.049 -6.507 -3.115 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG11 . . . . . . . . . c18964_2m3i 1 . 1 . 81 . 1 1 7 VAL HG12 H -5.295 -5.783 -1.527 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG12 . . . . . . . . . c18964_2m3i 1 . 1 . 82 . 1 1 7 VAL HG13 H -3.969 -6.916 -1.782 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG13 . . . . . . . . . c18964_2m3i 1 . 1 . 83 . 1 1 7 VAL HG21 H -5.229 -3.569 -2.637 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG21 . . . . . . . . . c18964_2m3i 1 . 1 . 84 . 1 1 7 VAL HG22 H -4.898 -4.294 -4.214 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG22 . . . . . . . . . c18964_2m3i 1 . 1 . 85 . 1 1 7 VAL HG23 H -3.816 -3.060 -3.557 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG23 . . . . . . . . . c18964_2m3i 1 . 1 . 86 . 1 1 7 VAL N N -3.836 -3.800 -0.394 . . . 1.0 . . . . . . . . . . . . A . 7 VAL N . . . . . . . . . c18964_2m3i 1 . 1 . 87 . 1 1 7 VAL O O -0.596 -4.012 -1.732 . . . 1.0 . . . . . . . . . . . . A . 7 VAL O . . . . . . . . . c18964_2m3i 1 . 1 . 88 . 1 1 8 CYS C C -0.035 -1.038 -1.061 . . . 1.0 . . . . . . . . . . . . A . 8 CYS C . . . . . . . . . c18964_2m3i 1 . 1 . 89 . 1 1 8 CYS CA C -0.850 -1.357 -2.311 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CA . . . . . . . . . c18964_2m3i 1 . 1 . 90 . 1 1 8 CYS CB C -1.369 -0.051 -2.901 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CB . . . . . . . . . c18964_2m3i 1 . 1 . 91 . 1 1 8 CYS H H -2.852 -1.876 -1.850 . . . 1.0 . . . . . . . . . . . . A . 8 CYS H . . . . . . . . . c18964_2m3i 1 . 1 . 92 . 1 1 8 CYS HA H -0.224 -1.862 -3.032 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HA . . . . . . . . . c18964_2m3i 1 . 1 . 93 . 1 1 8 CYS HB2 H -1.684 0.591 -2.091 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB2 . . . . . . . . . c18964_2m3i 1 . 1 . 94 . 1 1 8 CYS HB3 H -0.568 0.437 -3.436 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB3 . . . . . . . . . c18964_2m3i 1 . 1 . 95 . 1 1 8 CYS N N -1.948 -2.249 -1.941 . . . 1.0 . . . . . . . . . . . . A . 8 CYS N . . . . . . . . . c18964_2m3i 1 . 1 . 96 . 1 1 8 CYS O O 1.188 -0.854 -1.121 . . . 1.0 . . . . . . . . . . . . A . 8 CYS O . . . . . . . . . c18964_2m3i 1 . 1 . 97 . 1 1 8 CYS SG S -2.790 -0.207 -4.040 . . . 1.0 . . . . . . . . . . . . A . 8 CYS SG . . . . . . . . . c18964_2m3i 1 . 1 . 98 . 1 1 9 SER C C 0.883 -1.868 1.748 . . . 1.0 . . . . . . . . . . . . A . 9 SER C . . . . . . . . . c18964_2m3i 1 . 1 . 99 . 1 1 9 SER CA C -0.119 -0.752 1.367 . . . 1.0 . . . . . . . . . . . . A . 9 SER CA . . . . . . . . . c18964_2m3i 1 . 1 . 100 . 1 1 9 SER CB C -1.220 -0.666 2.409 . . . 1.0 . . . . . . . . . . . . A . 9 SER CB . . . . . . . . . c18964_2m3i 1 . 1 . 101 . 1 1 9 SER H H -1.697 -1.138 0.076 . . . 1.0 . . . . . . . . . . . . A . 9 SER H . . . . . . . . . c18964_2m3i 1 . 1 . 102 . 1 1 9 SER HA H 0.356 0.213 1.289 . . . 1.0 . . . . . . . . . . . . A . 9 SER HA . . . . . . . . . c18964_2m3i 1 . 1 . 103 . 1 1 9 SER HB2 H -1.659 -1.641 2.555 . . . 1.0 . . . . . . . . . . . . A . 9 SER HB2 . . . . . . . . . c18964_2m3i 1 . 1 . 104 . 1 1 9 SER HB3 H -0.809 -0.307 3.340 . . . 1.0 . . . . . . . . . . . . A . 9 SER HB3 . . . . . . . . . c18964_2m3i 1 . 1 . 105 . 1 1 9 SER HG H -2.238 0.978 2.595 . . . 1.0 . . . . . . . . . . . . A . 9 SER HG . . . . . . . . . c18964_2m3i 1 . 1 . 106 . 1 1 9 SER N N -0.723 -1.014 0.079 . . . 1.0 . . . . . . . . . . . . A . 9 SER N . . . . . . . . . c18964_2m3i 1 . 1 . 107 . 1 1 9 SER O O 1.822 -1.656 2.520 . . . 1.0 . . . . . . . . . . . . A . 9 SER O . . . . . . . . . c18964_2m3i 1 . 1 . 108 . 1 1 9 SER OG O -2.224 0.230 1.985 . . . 1.0 . . . . . . . . . . . . A . 9 SER OG . . . . . . . . . c18964_2m3i 1 . 1 . 109 . 1 1 10 ALA C C 2.680 -4.208 0.436 . . . 1.0 . . . . . . . . . . . . A . 10 ALA C . . . . . . . . . c18964_2m3i 1 . 1 . 110 . 1 1 10 ALA CA C 1.551 -4.182 1.455 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CA . . . . . . . . . c18964_2m3i 1 . 1 . 111 . 1 1 10 ALA CB C 0.778 -5.485 1.437 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CB . . . . . . . . . c18964_2m3i 1 . 1 . 112 . 1 1 10 ALA H H -0.128 -3.191 0.644 . . . 1.0 . . . . . . . . . . . . A . 10 ALA H . . . . . . . . . c18964_2m3i 1 . 1 . 113 . 1 1 10 ALA HA H 1.992 -4.051 2.434 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HA . . . . . . . . . c18964_2m3i 1 . 1 . 114 . 1 1 10 ALA HB1 H 0.353 -5.635 0.454 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB1 . . . . . . . . . c18964_2m3i 1 . 1 . 115 . 1 1 10 ALA HB2 H -0.014 -5.447 2.169 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB2 . . . . . . . . . c18964_2m3i 1 . 1 . 116 . 1 1 10 ALA HB3 H 1.444 -6.304 1.667 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB3 . . . . . . . . . c18964_2m3i 1 . 1 . 117 . 1 1 10 ALA N N 0.665 -3.059 1.207 . . . 1.0 . . . . . . . . . . . . A . 10 ALA N . . . . . . . . . c18964_2m3i 1 . 1 . 118 . 1 1 10 ALA O O 3.687 -4.904 0.615 . . . 1.0 . . . . . . . . . . . . A . 10 ALA O . . . . . . . . . c18964_2m3i 1 . 1 . 119 . 1 1 11 MET C C 4.638 -2.497 -1.113 . . . 1.0 . . . . . . . . . . . . A . 11 MET C . . . . . . . . . c18964_2m3i 1 . 1 . 120 . 1 1 11 MET CA C 3.549 -3.358 -1.653 . . . 1.0 . . . . . . . . . . . . A . 11 MET CA . . . . . . . . . c18964_2m3i 1 . 1 . 121 . 1 1 11 MET CB C 3.018 -2.783 -2.979 . . . 1.0 . . . . . . . . . . . . A . 11 MET CB . . . . . . . . . c18964_2m3i 1 . 1 . 122 . 1 1 11 MET CE C 0.933 -5.992 -4.607 . . . 1.0 . . . . . . . . . . . . A . 11 MET CE . . . . . . . . . c18964_2m3i 1 . 1 . 123 . 1 1 11 MET CG C 1.926 -3.614 -3.623 . . . 1.0 . . . . . . . . . . . . A . 11 MET CG . . . . . . . . . c18964_2m3i 1 . 1 . 124 . 1 1 11 MET H H 1.676 -2.958 -0.736 . . . 1.0 . . . . . . . . . . . . A . 11 MET H . . . . . . . . . c18964_2m3i 1 . 1 . 125 . 1 1 11 MET HA H 3.955 -4.338 -1.813 . . . 1.0 . . . . . . . . . . . . A . 11 MET HA . . . . . . . . . c18964_2m3i 1 . 1 . 126 . 1 1 11 MET HB2 H 2.623 -1.795 -2.793 . . . 1.0 . . . . . . . . . . . . A . 11 MET HB2 . . . . . . . . . c18964_2m3i 1 . 1 . 127 . 1 1 11 MET HB3 H 3.840 -2.703 -3.674 . . . 1.0 . . . . . . . . . . . . A . 11 MET HB3 . . . . . . . . . c18964_2m3i 1 . 1 . 128 . 1 1 11 MET HE1 H 0.589 -5.432 -5.464 . . . 1.0 . . . . . . . . . . . . A . 11 MET HE1 . . . . . . . . . c18964_2m3i 1 . 1 . 129 . 1 1 11 MET HE2 H 0.189 -5.945 -3.825 . . . 1.0 . . . . . . . . . . . . A . 11 MET HE2 . . . . . . . . . c18964_2m3i 1 . 1 . 130 . 1 1 11 MET HE3 H 1.095 -7.021 -4.890 . . . 1.0 . . . . . . . . . . . . A . 11 MET HE3 . . . . . . . . . c18964_2m3i 1 . 1 . 131 . 1 1 11 MET HG2 H 1.092 -3.678 -2.940 . . . 1.0 . . . . . . . . . . . . A . 11 MET HG2 . . . . . . . . . c18964_2m3i 1 . 1 . 132 . 1 1 11 MET HG3 H 1.609 -3.129 -4.534 . . . 1.0 . . . . . . . . . . . . A . 11 MET HG3 . . . . . . . . . c18964_2m3i 1 . 1 . 133 . 1 1 11 MET N N 2.512 -3.459 -0.640 . . . 1.0 . . . . . . . . . . . . A . 11 MET N . . . . . . . . . c18964_2m3i 1 . 1 . 134 . 1 1 11 MET O O 5.803 -2.879 -1.063 . . . 1.0 . . . . . . . . . . . . A . 11 MET O . . . . . . . . . c18964_2m3i 1 . 1 . 135 . 1 1 11 MET SD S 2.466 -5.285 -4.015 . . . 1.0 . . . . . . . . . . . . A . 11 MET SD . . . . . . . . . c18964_2m3i 1 . 1 . 136 . 1 1 12 SER C C 4.544 0.006 1.265 . . . 1.0 . . . . . . . . . . . . A . 12 SER C . . . . . . . . . c18964_2m3i 1 . 1 . 137 . 1 1 12 SER CA C 5.115 -0.440 -0.069 . . . 1.0 . . . . . . . . . . . . A . 12 SER CA . . . . . . . . . c18964_2m3i 1 . 1 . 138 . 1 1 12 SER CB C 5.283 0.751 -0.986 . . . 1.0 . . . . . . . . . . . . A . 12 SER CB . . . . . . . . . c18964_2m3i 1 . 1 . 139 . 1 1 12 SER H H 3.280 -1.180 -0.731 . . . 1.0 . . . . . . . . . . . . A . 12 SER H . . . . . . . . . c18964_2m3i 1 . 1 . 140 . 1 1 12 SER HA H 6.076 -0.911 0.075 . . . 1.0 . . . . . . . . . . . . A . 12 SER HA . . . . . . . . . c18964_2m3i 1 . 1 . 141 . 1 1 12 SER HB2 H 5.488 0.397 -1.983 . . . 1.0 . . . . . . . . . . . . A . 12 SER HB2 . . . . . . . . . c18964_2m3i 1 . 1 . 142 . 1 1 12 SER HB3 H 4.351 1.296 -0.982 . . . 1.0 . . . . . . . . . . . . A . 12 SER HB3 . . . . . . . . . c18964_2m3i 1 . 1 . 143 . 1 1 12 SER HG H 6.447 2.257 -1.239 . . . 1.0 . . . . . . . . . . . . A . 12 SER HG . . . . . . . . . c18964_2m3i 1 . 1 . 144 . 1 1 12 SER N N 4.236 -1.374 -0.655 . . . 1.0 . . . . . . . . . . . . A . 12 SER N . . . . . . . . . c18964_2m3i 1 . 1 . 145 . 1 1 12 SER O O 3.635 0.834 1.312 . . . 1.0 . . . . . . . . . . . . A . 12 SER O . . . . . . . . . c18964_2m3i 1 . 1 . 146 . 1 1 12 SER OG O 6.310 1.617 -0.530 . . . 1.0 . . . . . . . . . . . . A . 12 SER OG . . . . . . . . . c18964_2m3i 1 . 1 . 147 . 1 1 13 PRO C C 5.192 1.145 4.159 . . . 1.0 . . . . . . . . . . . . A . 13 PRO C . . . . . . . . . c18964_2m3i 1 . 1 . 148 . 1 1 13 PRO CA C 4.584 -0.178 3.701 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CA . . . . . . . . . c18964_2m3i 1 . 1 . 149 . 1 1 13 PRO CB C 5.057 -1.334 4.581 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CB . . . . . . . . . c18964_2m3i 1 . 1 . 150 . 1 1 13 PRO CD C 6.110 -1.564 2.414 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CD . . . . . . . . . c18964_2m3i 1 . 1 . 151 . 1 1 13 PRO CG C 6.218 -1.943 3.869 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CG . . . . . . . . . c18964_2m3i 1 . 1 . 152 . 1 1 13 PRO HA H 3.506 -0.105 3.727 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HA . . . . . . . . . c18964_2m3i 1 . 1 . 153 . 1 1 13 PRO HB2 H 5.340 -0.960 5.552 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HB2 . . . . . . . . . c18964_2m3i 1 . 1 . 154 . 1 1 13 PRO HB3 H 4.258 -2.052 4.697 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HB3 . . . . . . . . . c18964_2m3i 1 . 1 . 155 . 1 1 13 PRO HD2 H 7.044 -1.146 2.072 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HD2 . . . . . . . . . c18964_2m3i 1 . 1 . 156 . 1 1 13 PRO HD3 H 5.837 -2.420 1.814 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HD3 . . . . . . . . . c18964_2m3i 1 . 1 . 157 . 1 1 13 PRO HG2 H 7.141 -1.562 4.277 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HG2 . . . . . . . . . c18964_2m3i 1 . 1 . 158 . 1 1 13 PRO HG3 H 6.170 -3.017 3.975 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HG3 . . . . . . . . . c18964_2m3i 1 . 1 . 159 . 1 1 13 PRO N N 5.052 -0.541 2.373 . . . 1.0 . . . . . . . . . . . . A . 13 PRO N . . . . . . . . . c18964_2m3i 1 . 1 . 160 . 1 1 13 PRO O O 4.875 1.665 5.214 . . . 1.0 . . . . . . . . . . . . A . 13 PRO O . . . . . . . . . c18964_2m3i 1 . 1 . 161 . 1 1 14 ILE C C 5.893 4.072 3.013 . . . 1.0 . . . . . . . . . . . . A . 14 ILE C . . . . . . . . . c18964_2m3i 1 . 1 . 162 . 1 1 14 ILE CA C 6.709 2.935 3.636 . . . 1.0 . . . . . . . . . . . . A . 14 ILE CA . . . . . . . . . c18964_2m3i 1 . 1 . 163 . 1 1 14 ILE CB C 8.190 2.928 3.144 . . . 1.0 . . . . . . . . . . . . A . 14 ILE CB . . . . . . . . . c18964_2m3i 1 . 1 . 164 . 1 1 14 ILE CD1 C 10.360 1.556 3.282 . . . 1.0 . . . . . . . . . . . . A . 14 ILE CD1 . . . . . . . . . c18964_2m3i 1 . 1 . 165 . 1 1 14 ILE CG1 C 8.918 1.699 3.724 . . . 1.0 . . . . . . . . . . . . A . 14 ILE CG1 . . . . . . . . . c18964_2m3i 1 . 1 . 166 . 1 1 14 ILE CG2 C 8.918 4.207 3.558 . . . 1.0 . . . . . . . . . . . . A . 14 ILE CG2 . . . . . . . . . c18964_2m3i 1 . 1 . 167 . 1 1 14 ILE H H 6.261 1.224 2.500 . . . 1.0 . . . . . . . . . . . . A . 14 ILE H . . . . . . . . . c18964_2m3i 1 . 1 . 168 . 1 1 14 ILE HA H 6.677 3.020 4.706 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HA . . . . . . . . . c18964_2m3i 1 . 1 . 169 . 1 1 14 ILE HB H 8.199 2.853 2.067 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HB . . . . . . . . . c18964_2m3i 1 . 1 . 170 . 1 1 14 ILE HD11 H 10.788 0.671 3.730 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HD11 . . . . . . . . . c18964_2m3i 1 . 1 . 171 . 1 1 14 ILE HD12 H 10.917 2.424 3.601 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HD12 . . . . . . . . . c18964_2m3i 1 . 1 . 172 . 1 1 14 ILE HD13 H 10.405 1.476 2.206 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HD13 . . . . . . . . . c18964_2m3i 1 . 1 . 173 . 1 1 14 ILE HG12 H 8.914 1.765 4.801 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HG12 . . . . . . . . . c18964_2m3i 1 . 1 . 174 . 1 1 14 ILE HG13 H 8.387 0.806 3.426 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HG13 . . . . . . . . . c18964_2m3i 1 . 1 . 175 . 1 1 14 ILE HG21 H 9.937 4.171 3.204 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HG21 . . . . . . . . . c18964_2m3i 1 . 1 . 176 . 1 1 14 ILE HG22 H 8.913 4.288 4.634 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HG22 . . . . . . . . . c18964_2m3i 1 . 1 . 177 . 1 1 14 ILE HG23 H 8.415 5.061 3.129 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HG23 . . . . . . . . . c18964_2m3i 1 . 1 . 178 . 1 1 14 ILE N N 6.061 1.689 3.336 . . . 1.0 . . . . . . . . . . . . A . 14 ILE N . . . . . . . . . c18964_2m3i 1 . 1 . 179 . 1 1 14 ILE O O 6.067 5.257 3.309 . . . 1.0 . . . . . . . . . . . . A . 14 ILE O . . . . . . . . . c18964_2m3i 1 . 1 . 180 . 1 1 15 CYS C C 2.799 4.684 2.342 . . . 1.0 . . . . . . . . . . . . A . 15 CYS C . . . . . . . . . c18964_2m3i 1 . 1 . 181 . 1 1 15 CYS CA C 4.080 4.561 1.531 . . . 1.0 . . . . . . . . . . . . A . 15 CYS CA . . . . . . . . . c18964_2m3i 1 . 1 . 182 . 1 1 15 CYS CB C 3.789 4.026 0.127 . . . 1.0 . . . . . . . . . . . . A . 15 CYS CB . . . . . . . . . c18964_2m3i 1 . 1 . 183 . 1 1 15 CYS H H 4.859 2.708 2.109 . . . 1.0 . . . . . . . . . . . . A . 15 CYS H . . . . . . . . . c18964_2m3i 1 . 1 . 184 . 1 1 15 CYS HA H 4.553 5.530 1.455 . . . 1.0 . . . . . . . . . . . . A . 15 CYS HA . . . . . . . . . c18964_2m3i 1 . 1 . 185 . 1 1 15 CYS HB2 H 4.723 3.892 -0.397 . . . 1.0 . . . . . . . . . . . . A . 15 CYS HB2 . . . . . . . . . c18964_2m3i 1 . 1 . 186 . 1 1 15 CYS HB3 H 3.300 3.067 0.218 . . . 1.0 . . . . . . . . . . . . A . 15 CYS HB3 . . . . . . . . . c18964_2m3i 1 . 1 . 187 . 1 1 15 CYS N N 4.967 3.674 2.214 . . . 1.0 . . . . . . . . . . . . A . 15 CYS N . . . . . . . . . c18964_2m3i 1 . 1 . 188 . 1 1 15 CYS O O 1.984 3.757 2.388 . . . 1.0 . . . . . . . . . . . . A . 15 CYS O . . . . . . . . . c18964_2m3i 1 . 1 . 189 . 1 1 15 CYS SG S 2.733 5.093 -0.904 . . . 1.0 . . . . . . . . . . . . A . 15 CYS SG . . . . . . . . . c18964_2m3i 1 . 1 . 190 . 1 1 16 NH2 HN1 H 3.343 6.478 2.971 . . . 1.0 . . . . . . . . . . . . A . 16 NH2 HN1 . . . . . . . . . c18964_2m3i 1 . 1 . 191 . 1 1 16 NH2 HN2 H 1.878 5.843 3.636 . . . 1.0 . . . . . . . . . . . . A . 16 NH2 HN2 . . . . . . . . . c18964_2m3i 1 . 1 . 192 . 1 1 16 NH2 N N 2.661 5.779 3.052 . . . 1.0 . . . . . . . . . . . . A . 16 NH2 N . . . . . . . . . c18964_2m3i 1 . 2 . 193 . 1 1 1 GLY C C -4.585 5.004 -2.775 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c18964_2m3i 1 . 2 . 194 . 1 1 1 GLY CA C -4.804 6.487 -2.769 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c18964_2m3i 1 . 2 . 195 . 1 1 1 GLY H1 H -5.075 6.653 -0.714 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c18964_2m3i 1 . 2 . 196 . 1 1 1 GLY H2 H -6.465 6.331 -1.599 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H2 . . . . . . . . . c18964_2m3i 1 . 2 . 197 . 1 1 1 GLY H3 H -5.824 7.887 -1.621 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H3 . . . . . . . . . c18964_2m3i 1 . 2 . 198 . 1 1 1 GLY HA2 H -5.350 6.758 -3.660 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c18964_2m3i 1 . 2 . 199 . 1 1 1 GLY HA3 H -3.855 7.001 -2.764 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c18964_2m3i 1 . 2 . 200 . 1 1 1 GLY N N -5.582 6.880 -1.598 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c18964_2m3i 1 . 2 . 201 . 1 1 1 GLY O O -5.308 4.276 -2.099 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c18964_2m3i 1 . 2 . 202 . 1 1 2 CYS C C -2.783 2.651 -2.246 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . c18964_2m3i 1 . 2 . 203 . 1 1 2 CYS CA C -3.285 3.121 -3.600 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . c18964_2m3i 1 . 2 . 204 . 1 1 2 CYS CB C -2.183 2.888 -4.645 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . c18964_2m3i 1 . 2 . 205 . 1 1 2 CYS H H -3.009 5.179 -3.986 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . c18964_2m3i 1 . 2 . 206 . 1 1 2 CYS HA H -4.178 2.583 -3.880 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . c18964_2m3i 1 . 2 . 207 . 1 1 2 CYS HB2 H -2.216 3.682 -5.374 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . c18964_2m3i 1 . 2 . 208 . 1 1 2 CYS HB3 H -1.249 2.949 -4.106 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . c18964_2m3i 1 . 2 . 209 . 1 1 2 CYS N N -3.582 4.546 -3.499 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . c18964_2m3i 1 . 2 . 210 . 1 1 2 CYS O O -3.192 1.628 -1.744 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . c18964_2m3i 1 . 2 . 211 . 1 1 2 CYS SG S -2.196 1.278 -5.565 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . c18964_2m3i 1 . 2 . 212 . 1 1 3 CYS C C -2.318 3.226 0.806 . . . 1.0 . . . . . . . . . . . . A . 3 CYS C . . . . . . . . . c18964_2m3i 1 . 2 . 213 . 1 1 3 CYS CA C -1.332 3.121 -0.352 . . . 1.0 . . . . . . . . . . . . A . 3 CYS CA . . . . . . . . . c18964_2m3i 1 . 2 . 214 . 1 1 3 CYS CB C -0.125 3.993 -0.106 . . . 1.0 . . . . . . . . . . . . A . 3 CYS CB . . . . . . . . . c18964_2m3i 1 . 2 . 215 . 1 1 3 CYS H H -1.709 4.326 -2.018 . . . 1.0 . . . . . . . . . . . . A . 3 CYS H . . . . . . . . . c18964_2m3i 1 . 2 . 216 . 1 1 3 CYS HA H -1.001 2.100 -0.441 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HA . . . . . . . . . c18964_2m3i 1 . 2 . 217 . 1 1 3 CYS HB2 H -0.431 5.027 -0.052 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HB2 . . . . . . . . . c18964_2m3i 1 . 2 . 218 . 1 1 3 CYS HB3 H 0.274 3.696 0.847 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HB3 . . . . . . . . . c18964_2m3i 1 . 2 . 219 . 1 1 3 CYS N N -1.944 3.459 -1.623 . . . 1.0 . . . . . . . . . . . . A . 3 CYS N . . . . . . . . . c18964_2m3i 1 . 2 . 220 . 1 1 3 CYS O O -1.996 2.914 1.949 . . . 1.0 . . . . . . . . . . . . A . 3 CYS O . . . . . . . . . c18964_2m3i 1 . 2 . 221 . 1 1 3 CYS SG S 1.176 3.843 -1.380 . . . 1.0 . . . . . . . . . . . . A . 3 CYS SG . . . . . . . . . c18964_2m3i 1 . 2 . 222 . 1 1 4 SER C C -5.467 2.458 1.281 . . . 1.0 . . . . . . . . . . . . A . 4 SER C . . . . . . . . . c18964_2m3i 1 . 2 . 223 . 1 1 4 SER CA C -4.609 3.728 1.430 . . . 1.0 . . . . . . . . . . . . A . 4 SER CA . . . . . . . . . c18964_2m3i 1 . 2 . 224 . 1 1 4 SER CB C -5.460 4.936 1.090 . . . 1.0 . . . . . . . . . . . . A . 4 SER CB . . . . . . . . . c18964_2m3i 1 . 2 . 225 . 1 1 4 SER H H -3.600 3.962 -0.439 . . . 1.0 . . . . . . . . . . . . A . 4 SER H . . . . . . . . . c18964_2m3i 1 . 2 . 226 . 1 1 4 SER HA H -4.227 3.819 2.436 . . . 1.0 . . . . . . . . . . . . A . 4 SER HA . . . . . . . . . c18964_2m3i 1 . 2 . 227 . 1 1 4 SER HB2 H -6.006 4.734 0.180 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB2 . . . . . . . . . c18964_2m3i 1 . 2 . 228 . 1 1 4 SER HB3 H -6.155 5.128 1.894 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB3 . . . . . . . . . c18964_2m3i 1 . 2 . 229 . 1 1 4 SER HG H -4.053 6.141 1.648 . . . 1.0 . . . . . . . . . . . . A . 4 SER HG . . . . . . . . . c18964_2m3i 1 . 2 . 230 . 1 1 4 SER N N -3.500 3.659 0.488 . . . 1.0 . . . . . . . . . . . . A . 4 SER N . . . . . . . . . c18964_2m3i 1 . 2 . 231 . 1 1 4 SER O O -6.522 2.309 1.904 . . . 1.0 . . . . . . . . . . . . A . 4 SER O . . . . . . . . . c18964_2m3i 1 . 2 . 232 . 1 1 4 SER OG O -4.650 6.089 0.888 . . . 1.0 . . . . . . . . . . . . A . 4 SER OG . . . . . . . . . c18964_2m3i 1 . 2 . 233 . 1 1 5 HIS C C -4.684 -0.796 0.350 . . . 1.0 . . . . . . . . . . . . A . 5 HIS C . . . . . . . . . c18964_2m3i 1 . 2 . 234 . 1 1 5 HIS CA C -5.667 0.346 0.109 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CA . . . . . . . . . c18964_2m3i 1 . 2 . 235 . 1 1 5 HIS CB C -6.104 0.426 -1.378 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CB . . . . . . . . . c18964_2m3i 1 . 2 . 236 . 1 1 5 HIS CD2 C -7.835 -1.508 -1.406 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CD2 . . . . . . . . . c18964_2m3i 1 . 2 . 237 . 1 1 5 HIS CE1 C -7.426 -2.311 -3.378 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CE1 . . . . . . . . . c18964_2m3i 1 . 2 . 238 . 1 1 5 HIS CG C -6.828 -0.771 -1.929 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CG . . . . . . . . . c18964_2m3i 1 . 2 . 239 . 1 1 5 HIS H H -4.107 1.703 0.045 . . . 1.0 . . . . . . . . . . . . A . 5 HIS H . . . . . . . . . c18964_2m3i 1 . 2 . 240 . 1 1 5 HIS HA H -6.535 0.238 0.741 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HA . . . . . . . . . c18964_2m3i 1 . 2 . 241 . 1 1 5 HIS HB2 H -6.757 1.277 -1.504 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB2 . . . . . . . . . c18964_2m3i 1 . 2 . 242 . 1 1 5 HIS HB3 H -5.221 0.586 -1.980 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB3 . . . . . . . . . c18964_2m3i 1 . 2 . 243 . 1 1 5 HIS HD1 H -5.927 -0.982 -3.840 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD1 . . . . . . . . . c18964_2m3i 1 . 2 . 244 . 1 1 5 HIS HD2 H -8.289 -1.358 -0.438 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD2 . . . . . . . . . c18964_2m3i 1 . 2 . 245 . 1 1 5 HIS HE1 H -7.462 -2.910 -4.277 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HE1 . . . . . . . . . c18964_2m3i 1 . 2 . 246 . 1 1 5 HIS N N -4.992 1.565 0.449 . . . 1.0 . . . . . . . . . . . . A . 5 HIS N . . . . . . . . . c18964_2m3i 1 . 2 . 247 . 1 1 5 HIS ND1 N -6.584 -1.299 -3.181 . . . 1.0 . . . . . . . . . . . . A . 5 HIS ND1 . . . . . . . . . c18964_2m3i 1 . 2 . 248 . 1 1 5 HIS NE2 N -8.210 -2.486 -2.327 . . . 1.0 . . . . . . . . . . . . A . 5 HIS NE2 . . . . . . . . . c18964_2m3i 1 . 2 . 249 . 1 1 5 HIS O O -3.612 -0.810 -0.264 . . . 1.0 . . . . . . . . . . . . A . 5 HIS O . . . . . . . . . c18964_2m3i 1 . 2 . 250 . 1 1 6 PRO C C -3.249 -3.481 0.666 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . c18964_2m3i 1 . 2 . 251 . 1 1 6 PRO CA C -4.185 -2.879 1.721 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . c18964_2m3i 1 . 2 . 252 . 1 1 6 PRO CB C -5.230 -3.885 2.155 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . c18964_2m3i 1 . 2 . 253 . 1 1 6 PRO CD C -6.335 -1.776 1.982 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . c18964_2m3i 1 . 2 . 254 . 1 1 6 PRO CG C -6.257 -3.037 2.809 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . c18964_2m3i 1 . 2 . 255 . 1 1 6 PRO HA H -3.603 -2.599 2.586 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . c18964_2m3i 1 . 2 . 256 . 1 1 6 PRO HB2 H -5.620 -4.392 1.286 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB2 . . . . . . . . . c18964_2m3i 1 . 2 . 257 . 1 1 6 PRO HB3 H -4.810 -4.598 2.847 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . c18964_2m3i 1 . 2 . 258 . 1 1 6 PRO HD2 H -7.155 -1.833 1.283 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD2 . . . . . . . . . c18964_2m3i 1 . 2 . 259 . 1 1 6 PRO HD3 H -6.440 -0.916 2.625 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . c18964_2m3i 1 . 2 . 260 . 1 1 6 PRO HG2 H -7.210 -3.545 2.823 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG2 . . . . . . . . . c18964_2m3i 1 . 2 . 261 . 1 1 6 PRO HG3 H -5.947 -2.800 3.815 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . c18964_2m3i 1 . 2 . 262 . 1 1 6 PRO N N -5.034 -1.742 1.269 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . c18964_2m3i 1 . 2 . 263 . 1 1 6 PRO O O -2.092 -3.788 0.968 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . c18964_2m3i 1 . 2 . 264 . 1 1 7 VAL C C -1.651 -3.365 -1.857 . . . 1.0 . . . . . . . . . . . . A . 7 VAL C . . . . . . . . . c18964_2m3i 1 . 2 . 265 . 1 1 7 VAL CA C -2.960 -4.152 -1.668 . . . 1.0 . . . . . . . . . . . . A . 7 VAL CA . . . . . . . . . c18964_2m3i 1 . 2 . 266 . 1 1 7 VAL CB C -3.782 -4.149 -2.991 . . . 1.0 . . . . . . . . . . . . A . 7 VAL CB . . . . . . . . . c18964_2m3i 1 . 2 . 267 . 1 1 7 VAL CG1 C -2.972 -4.717 -4.148 . . . 1.0 . . . . . . . . . . . . A . 7 VAL CG1 . . . . . . . . . c18964_2m3i 1 . 2 . 268 . 1 1 7 VAL CG2 C -5.068 -4.941 -2.818 . . . 1.0 . . . . . . . . . . . . A . 7 VAL CG2 . . . . . . . . . c18964_2m3i 1 . 2 . 269 . 1 1 7 VAL H H -4.663 -3.314 -0.714 . . . 1.0 . . . . . . . . . . . . A . 7 VAL H . . . . . . . . . c18964_2m3i 1 . 2 . 270 . 1 1 7 VAL HA H -2.710 -5.172 -1.419 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HA . . . . . . . . . c18964_2m3i 1 . 2 . 271 . 1 1 7 VAL HB H -4.043 -3.128 -3.227 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HB . . . . . . . . . c18964_2m3i 1 . 2 . 272 . 1 1 7 VAL HG11 H -2.089 -4.114 -4.295 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG11 . . . . . . . . . c18964_2m3i 1 . 2 . 273 . 1 1 7 VAL HG12 H -3.570 -4.709 -5.047 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG12 . . . . . . . . . c18964_2m3i 1 . 2 . 274 . 1 1 7 VAL HG13 H -2.681 -5.731 -3.917 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG13 . . . . . . . . . c18964_2m3i 1 . 2 . 275 . 1 1 7 VAL HG21 H -5.628 -4.924 -3.741 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG21 . . . . . . . . . c18964_2m3i 1 . 2 . 276 . 1 1 7 VAL HG22 H -5.660 -4.503 -2.029 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG22 . . . . . . . . . c18964_2m3i 1 . 2 . 277 . 1 1 7 VAL HG23 H -4.827 -5.963 -2.564 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG23 . . . . . . . . . c18964_2m3i 1 . 2 . 278 . 1 1 7 VAL N N -3.740 -3.606 -0.564 . . . 1.0 . . . . . . . . . . . . A . 7 VAL N . . . . . . . . . c18964_2m3i 1 . 2 . 279 . 1 1 7 VAL O O -0.553 -3.933 -1.789 . . . 1.0 . . . . . . . . . . . . A . 7 VAL O . . . . . . . . . c18964_2m3i 1 . 2 . 280 . 1 1 8 CYS C C 0.065 -0.891 -0.910 . . . 1.0 . . . . . . . . . . . . A . 8 CYS C . . . . . . . . . c18964_2m3i 1 . 2 . 281 . 1 1 8 CYS CA C -0.593 -1.249 -2.244 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CA . . . . . . . . . c18964_2m3i 1 . 2 . 282 . 1 1 8 CYS CB C -0.978 0.014 -3.003 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CB . . . . . . . . . c18964_2m3i 1 . 2 . 283 . 1 1 8 CYS H H -2.639 -1.633 -1.924 . . . 1.0 . . . . . . . . . . . . A . 8 CYS H . . . . . . . . . c18964_2m3i 1 . 2 . 284 . 1 1 8 CYS HA H 0.101 -1.827 -2.836 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HA . . . . . . . . . c18964_2m3i 1 . 2 . 285 . 1 1 8 CYS HB2 H -1.306 0.759 -2.291 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB2 . . . . . . . . . c18964_2m3i 1 . 2 . 286 . 1 1 8 CYS HB3 H -0.123 0.391 -3.543 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB3 . . . . . . . . . c18964_2m3i 1 . 2 . 287 . 1 1 8 CYS N N -1.760 -2.064 -2.000 . . . 1.0 . . . . . . . . . . . . A . 8 CYS N . . . . . . . . . c18964_2m3i 1 . 2 . 288 . 1 1 8 CYS O O 1.264 -0.604 -0.857 . . . 1.0 . . . . . . . . . . . . A . 8 CYS O . . . . . . . . . c18964_2m3i 1 . 2 . 289 . 1 1 8 CYS SG S -2.338 -0.237 -4.206 . . . 1.0 . . . . . . . . . . . . A . 8 CYS SG . . . . . . . . . c18964_2m3i 1 . 2 . 290 . 1 1 9 SER C C 0.837 -1.733 1.901 . . . 1.0 . . . . . . . . . . . . A . 9 SER C . . . . . . . . . c18964_2m3i 1 . 2 . 291 . 1 1 9 SER CA C -0.206 -0.672 1.503 . . . 1.0 . . . . . . . . . . . . A . 9 SER CA . . . . . . . . . c18964_2m3i 1 . 2 . 292 . 1 1 9 SER CB C -1.336 -0.652 2.524 . . . 1.0 . . . . . . . . . . . . A . 9 SER CB . . . . . . . . . c18964_2m3i 1 . 2 . 293 . 1 1 9 SER H H -1.687 -1.096 0.085 . . . 1.0 . . . . . . . . . . . . A . 9 SER H . . . . . . . . . c18964_2m3i 1 . 2 . 294 . 1 1 9 SER HA H 0.234 0.311 1.448 . . . 1.0 . . . . . . . . . . . . A . 9 SER HA . . . . . . . . . c18964_2m3i 1 . 2 . 295 . 1 1 9 SER HB2 H -1.778 -1.635 2.572 . . . 1.0 . . . . . . . . . . . . A . 9 SER HB2 . . . . . . . . . c18964_2m3i 1 . 2 . 296 . 1 1 9 SER HB3 H -0.942 -0.383 3.493 . . . 1.0 . . . . . . . . . . . . A . 9 SER HB3 . . . . . . . . . c18964_2m3i 1 . 2 . 297 . 1 1 9 SER HG H -2.011 1.178 2.305 . . . 1.0 . . . . . . . . . . . . A . 9 SER HG . . . . . . . . . c18964_2m3i 1 . 2 . 298 . 1 1 9 SER N N -0.722 -0.930 0.174 . . . 1.0 . . . . . . . . . . . . A . 9 SER N . . . . . . . . . c18964_2m3i 1 . 2 . 299 . 1 1 9 SER O O 1.816 -1.439 2.596 . . . 1.0 . . . . . . . . . . . . A . 9 SER O . . . . . . . . . c18964_2m3i 1 . 2 . 300 . 1 1 9 SER OG O -2.342 0.277 2.161 . . . 1.0 . . . . . . . . . . . . A . 9 SER OG . . . . . . . . . c18964_2m3i 1 . 2 . 301 . 1 1 10 ALA C C 2.666 -4.024 0.724 . . . 1.0 . . . . . . . . . . . . A . 10 ALA C . . . . . . . . . c18964_2m3i 1 . 2 . 302 . 1 1 10 ALA CA C 1.543 -4.041 1.731 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CA . . . . . . . . . c18964_2m3i 1 . 2 . 303 . 1 1 10 ALA CB C 0.835 -5.369 1.712 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CB . . . . . . . . . c18964_2m3i 1 . 2 . 304 . 1 1 10 ALA H H -0.224 -3.159 0.992 . . . 1.0 . . . . . . . . . . . . A . 10 ALA H . . . . . . . . . c18964_2m3i 1 . 2 . 305 . 1 1 10 ALA HA H 1.978 -3.893 2.707 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HA . . . . . . . . . c18964_2m3i 1 . 2 . 306 . 1 1 10 ALA HB1 H 1.535 -6.153 1.957 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB1 . . . . . . . . . c18964_2m3i 1 . 2 . 307 . 1 1 10 ALA HB2 H 0.427 -5.541 0.727 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB2 . . . . . . . . . c18964_2m3i 1 . 2 . 308 . 1 1 10 ALA HB3 H 0.034 -5.359 2.438 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB3 . . . . . . . . . c18964_2m3i 1 . 2 . 309 . 1 1 10 ALA N N 0.613 -2.963 1.469 . . . 1.0 . . . . . . . . . . . . A . 10 ALA N . . . . . . . . . c18964_2m3i 1 . 2 . 310 . 1 1 10 ALA O O 3.787 -4.430 1.039 . . . 1.0 . . . . . . . . . . . . A . 10 ALA O . . . . . . . . . c18964_2m3i 1 . 2 . 311 . 1 1 11 MET C C 4.445 -2.492 -1.092 . . . 1.0 . . . . . . . . . . . . A . 11 MET C . . . . . . . . . c18964_2m3i 1 . 2 . 312 . 1 1 11 MET CA C 3.349 -3.403 -1.553 . . . 1.0 . . . . . . . . . . . . A . 11 MET CA . . . . . . . . . c18964_2m3i 1 . 2 . 313 . 1 1 11 MET CB C 2.709 -2.839 -2.824 . . . 1.0 . . . . . . . . . . . . A . 11 MET CB . . . . . . . . . c18964_2m3i 1 . 2 . 314 . 1 1 11 MET CE C 4.256 -1.783 -6.559 . . . 1.0 . . . . . . . . . . . . A . 11 MET CE . . . . . . . . . c18964_2m3i 1 . 2 . 315 . 1 1 11 MET CG C 3.674 -2.636 -3.985 . . . 1.0 . . . . . . . . . . . . A . 11 MET CG . . . . . . . . . c18964_2m3i 1 . 2 . 316 . 1 1 11 MET H H 1.421 -3.323 -0.670 . . . 1.0 . . . . . . . . . . . . A . 11 MET H . . . . . . . . . c18964_2m3i 1 . 2 . 317 . 1 1 11 MET HA H 3.786 -4.359 -1.764 . . . 1.0 . . . . . . . . . . . . A . 11 MET HA . . . . . . . . . c18964_2m3i 1 . 2 . 318 . 1 1 11 MET HB2 H 1.927 -3.510 -3.148 . . . 1.0 . . . . . . . . . . . . A . 11 MET HB2 . . . . . . . . . c18964_2m3i 1 . 2 . 319 . 1 1 11 MET HB3 H 2.266 -1.883 -2.585 . . . 1.0 . . . . . . . . . . . . A . 11 MET HB3 . . . . . . . . . c18964_2m3i 1 . 2 . 320 . 1 1 11 MET HE1 H 5.040 -1.179 -6.124 . . . 1.0 . . . . . . . . . . . . A . 11 MET HE1 . . . . . . . . . c18964_2m3i 1 . 2 . 321 . 1 1 11 MET HE2 H 3.926 -1.331 -7.483 . . . 1.0 . . . . . . . . . . . . A . 11 MET HE2 . . . . . . . . . c18964_2m3i 1 . 2 . 322 . 1 1 11 MET HE3 H 4.632 -2.775 -6.756 . . . 1.0 . . . . . . . . . . . . A . 11 MET HE3 . . . . . . . . . c18964_2m3i 1 . 2 . 323 . 1 1 11 MET HG2 H 4.480 -1.995 -3.658 . . . 1.0 . . . . . . . . . . . . A . 11 MET HG2 . . . . . . . . . c18964_2m3i 1 . 2 . 324 . 1 1 11 MET HG3 H 4.075 -3.596 -4.277 . . . 1.0 . . . . . . . . . . . . A . 11 MET HG3 . . . . . . . . . c18964_2m3i 1 . 2 . 325 . 1 1 11 MET N N 2.356 -3.553 -0.488 . . . 1.0 . . . . . . . . . . . . A . 11 MET N . . . . . . . . . c18964_2m3i 1 . 2 . 326 . 1 1 11 MET O O 5.631 -2.819 -1.166 . . . 1.0 . . . . . . . . . . . . A . 11 MET O . . . . . . . . . c18964_2m3i 1 . 2 . 327 . 1 1 11 MET SD S 2.878 -1.880 -5.416 . . . 1.0 . . . . . . . . . . . . A . 11 MET SD . . . . . . . . . c18964_2m3i 1 . 2 . 328 . 1 1 12 SER C C 4.471 -0.007 1.299 . . . 1.0 . . . . . . . . . . . . A . 12 SER C . . . . . . . . . c18964_2m3i 1 . 2 . 329 . 1 1 12 SER CA C 4.931 -0.414 -0.090 . . . 1.0 . . . . . . . . . . . . A . 12 SER CA . . . . . . . . . c18964_2m3i 1 . 2 . 330 . 1 1 12 SER CB C 4.983 0.805 -0.991 . . . 1.0 . . . . . . . . . . . . A . 12 SER CB . . . . . . . . . c18964_2m3i 1 . 2 . 331 . 1 1 12 SER H H 3.073 -1.216 -0.633 . . . 1.0 . . . . . . . . . . . . A . 12 SER H . . . . . . . . . c18964_2m3i 1 . 2 . 332 . 1 1 12 SER HA H 5.916 -0.852 -0.041 . . . 1.0 . . . . . . . . . . . . A . 12 SER HA . . . . . . . . . c18964_2m3i 1 . 2 . 333 . 1 1 12 SER HB2 H 5.075 0.488 -2.017 . . . 1.0 . . . . . . . . . . . . A . 12 SER HB2 . . . . . . . . . c18964_2m3i 1 . 2 . 334 . 1 1 12 SER HB3 H 4.058 1.341 -0.851 . . . 1.0 . . . . . . . . . . . . A . 12 SER HB3 . . . . . . . . . c18964_2m3i 1 . 2 . 335 . 1 1 12 SER HG H 6.845 1.218 -0.962 . . . 1.0 . . . . . . . . . . . . A . 12 SER HG . . . . . . . . . c18964_2m3i 1 . 2 . 336 . 1 1 12 SER N N 4.041 -1.375 -0.614 . . . 1.0 . . . . . . . . . . . . A . 12 SER N . . . . . . . . . c18964_2m3i 1 . 2 . 337 . 1 1 12 SER O O 3.588 0.850 1.445 . . . 1.0 . . . . . . . . . . . . A . 12 SER O . . . . . . . . . c18964_2m3i 1 . 2 . 338 . 1 1 12 SER OG O 6.054 1.667 -0.632 . . . 1.0 . . . . . . . . . . . . A . 12 SER OG . . . . . . . . . c18964_2m3i 1 . 2 . 339 . 1 1 13 PRO C C 5.366 1.049 4.104 . . . 1.0 . . . . . . . . . . . . A . 13 PRO C . . . . . . . . . c18964_2m3i 1 . 2 . 340 . 1 1 13 PRO CA C 4.694 -0.263 3.716 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CA . . . . . . . . . c18964_2m3i 1 . 2 . 341 . 1 1 13 PRO CB C 5.238 -1.425 4.545 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CB . . . . . . . . . c18964_2m3i 1 . 2 . 342 . 1 1 13 PRO CD C 5.993 -1.741 2.283 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CD . . . . . . . . . c18964_2m3i 1 . 2 . 343 . 1 1 13 PRO CG C 6.323 -2.028 3.723 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CG . . . . . . . . . c18964_2m3i 1 . 2 . 344 . 1 1 13 PRO HA H 3.627 -0.171 3.848 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HA . . . . . . . . . c18964_2m3i 1 . 2 . 345 . 1 1 13 PRO HB2 H 5.619 -1.050 5.485 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HB2 . . . . . . . . . c18964_2m3i 1 . 2 . 346 . 1 1 13 PRO HB3 H 4.448 -2.136 4.733 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HB3 . . . . . . . . . c18964_2m3i 1 . 2 . 347 . 1 1 13 PRO HD2 H 6.885 -1.442 1.755 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HD2 . . . . . . . . . c18964_2m3i 1 . 2 . 348 . 1 1 13 PRO HD3 H 5.548 -2.605 1.814 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HD3 . . . . . . . . . c18964_2m3i 1 . 2 . 349 . 1 1 13 PRO HG2 H 7.275 -1.591 3.987 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HG2 . . . . . . . . . c18964_2m3i 1 . 2 . 350 . 1 1 13 PRO HG3 H 6.338 -3.094 3.893 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HG3 . . . . . . . . . c18964_2m3i 1 . 2 . 351 . 1 1 13 PRO N N 5.027 -0.622 2.348 . . . 1.0 . . . . . . . . . . . . A . 13 PRO N . . . . . . . . . c18964_2m3i 1 . 2 . 352 . 1 1 13 PRO O O 5.070 1.633 5.145 . . . 1.0 . . . . . . . . . . . . A . 13 PRO O . . . . . . . . . c18964_2m3i 1 . 2 . 353 . 1 1 14 ILE C C 6.144 3.912 2.873 . . . 1.0 . . . . . . . . . . . . A . 14 ILE C . . . . . . . . . c18964_2m3i 1 . 2 . 354 . 1 1 14 ILE CA C 6.969 2.757 3.435 . . . 1.0 . . . . . . . . . . . . A . 14 ILE CA . . . . . . . . . c18964_2m3i 1 . 2 . 355 . 1 1 14 ILE CB C 8.383 2.719 2.771 . . . 1.0 . . . . . . . . . . . . A . 14 ILE CB . . . . . . . . . c18964_2m3i 1 . 2 . 356 . 1 1 14 ILE CD1 C 10.475 1.270 2.488 . . . 1.0 . . . . . . . . . . . . A . 14 ILE CD1 . . . . . . . . . c18964_2m3i 1 . 2 . 357 . 1 1 14 ILE CG1 C 9.114 1.420 3.141 . . . 1.0 . . . . . . . . . . . . A . 14 ILE CG1 . . . . . . . . . c18964_2m3i 1 . 2 . 358 . 1 1 14 ILE CG2 C 9.218 3.915 3.231 . . . 1.0 . . . . . . . . . . . . A . 14 ILE CG2 . . . . . . . . . c18964_2m3i 1 . 2 . 359 . 1 1 14 ILE H H 6.385 1.022 2.393 . . . 1.0 . . . . . . . . . . . . A . 14 ILE H . . . . . . . . . c18964_2m3i 1 . 2 . 360 . 1 1 14 ILE HA H 7.061 2.858 4.499 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HA . . . . . . . . . c18964_2m3i 1 . 2 . 361 . 1 1 14 ILE HB H 8.266 2.765 1.698 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HB . . . . . . . . . c18964_2m3i 1 . 2 . 362 . 1 1 14 ILE HD11 H 10.927 0.345 2.812 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HD11 . . . . . . . . . c18964_2m3i 1 . 2 . 363 . 1 1 14 ILE HD12 H 11.105 2.099 2.774 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HD12 . . . . . . . . . c18964_2m3i 1 . 2 . 364 . 1 1 14 ILE HD13 H 10.360 1.259 1.414 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HD13 . . . . . . . . . c18964_2m3i 1 . 2 . 365 . 1 1 14 ILE HG12 H 9.266 1.398 4.209 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HG12 . . . . . . . . . c18964_2m3i 1 . 2 . 366 . 1 1 14 ILE HG13 H 8.507 0.576 2.850 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HG13 . . . . . . . . . c18964_2m3i 1 . 2 . 367 . 1 1 14 ILE HG21 H 8.703 4.830 2.979 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HG21 . . . . . . . . . c18964_2m3i 1 . 2 . 368 . 1 1 14 ILE HG22 H 10.179 3.894 2.736 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HG22 . . . . . . . . . c18964_2m3i 1 . 2 . 369 . 1 1 14 ILE HG23 H 9.363 3.864 4.300 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HG23 . . . . . . . . . c18964_2m3i 1 . 2 . 370 . 1 1 14 ILE N N 6.242 1.527 3.219 . . . 1.0 . . . . . . . . . . . . A . 14 ILE N . . . . . . . . . c18964_2m3i 1 . 2 . 371 . 1 1 14 ILE O O 6.375 5.087 3.140 . . . 1.0 . . . . . . . . . . . . A . 14 ILE O . . . . . . . . . c18964_2m3i 1 . 2 . 372 . 1 1 15 CYS C C 3.120 4.727 2.484 . . . 1.0 . . . . . . . . . . . . A . 15 CYS C . . . . . . . . . c18964_2m3i 1 . 2 . 373 . 1 1 15 CYS CA C 4.267 4.487 1.529 . . . 1.0 . . . . . . . . . . . . A . 15 CYS CA . . . . . . . . . c18964_2m3i 1 . 2 . 374 . 1 1 15 CYS CB C 3.755 3.951 0.195 . . . 1.0 . . . . . . . . . . . . A . 15 CYS CB . . . . . . . . . c18964_2m3i 1 . 2 . 375 . 1 1 15 CYS H H 5.029 2.582 2.028 . . . 1.0 . . . . . . . . . . . . A . 15 CYS H . . . . . . . . . c18964_2m3i 1 . 2 . 376 . 1 1 15 CYS HA H 4.805 5.409 1.365 . . . 1.0 . . . . . . . . . . . . A . 15 CYS HA . . . . . . . . . c18964_2m3i 1 . 2 . 377 . 1 1 15 CYS HB2 H 4.597 3.733 -0.444 . . . 1.0 . . . . . . . . . . . . A . 15 CYS HB2 . . . . . . . . . c18964_2m3i 1 . 2 . 378 . 1 1 15 CYS HB3 H 3.215 3.034 0.382 . . . 1.0 . . . . . . . . . . . . A . 15 CYS HB3 . . . . . . . . . c18964_2m3i 1 . 2 . 379 . 1 1 15 CYS N N 5.160 3.546 2.131 . . . 1.0 . . . . . . . . . . . . A . 15 CYS N . . . . . . . . . c18964_2m3i 1 . 2 . 380 . 1 1 15 CYS O O 2.086 4.053 2.422 . . . 1.0 . . . . . . . . . . . . A . 15 CYS O . . . . . . . . . c18964_2m3i 1 . 2 . 381 . 1 1 15 CYS SG S 2.645 5.072 -0.720 . . . 1.0 . . . . . . . . . . . . A . 15 CYS SG . . . . . . . . . c18964_2m3i 1 . 2 . 382 . 1 1 16 NH2 HN1 H 4.164 6.124 3.380 . . . 1.0 . . . . . . . . . . . . A . 16 NH2 HN1 . . . . . . . . . c18964_2m3i 1 . 2 . 383 . 1 1 16 NH2 HN2 H 2.618 5.785 4.073 . . . 1.0 . . . . . . . . . . . . A . 16 NH2 HN2 . . . . . . . . . c18964_2m3i 1 . 2 . 384 . 1 1 16 NH2 N N 3.314 5.632 3.402 . . . 1.0 . . . . . . . . . . . . A . 16 NH2 N . . . . . . . . . c18964_2m3i 1 . 3 . 385 . 1 1 1 GLY C C -4.643 5.005 -4.317 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c18964_2m3i 1 . 3 . 386 . 1 1 1 GLY CA C -4.794 6.490 -4.294 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c18964_2m3i 1 . 3 . 387 . 1 1 1 GLY H1 H -6.434 6.575 -5.530 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c18964_2m3i 1 . 3 . 388 . 1 1 1 GLY H2 H -6.307 7.902 -4.463 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H2 . . . . . . . . . c18964_2m3i 1 . 3 . 389 . 1 1 1 GLY H3 H -6.802 6.390 -3.914 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H3 . . . . . . . . . c18964_2m3i 1 . 3 . 390 . 1 1 1 GLY HA2 H -4.149 6.910 -5.051 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c18964_2m3i 1 . 3 . 391 . 1 1 1 GLY HA3 H -4.495 6.868 -3.329 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c18964_2m3i 1 . 3 . 392 . 1 1 1 GLY N N -6.164 6.881 -4.573 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c18964_2m3i 1 . 3 . 393 . 1 1 1 GLY O O -5.477 4.306 -4.884 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c18964_2m3i 1 . 3 . 394 . 1 1 2 CYS C C -2.811 2.742 -2.315 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . c18964_2m3i 1 . 3 . 395 . 1 1 2 CYS CA C -3.338 3.097 -3.678 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . c18964_2m3i 1 . 3 . 396 . 1 1 2 CYS CB C -2.248 2.778 -4.697 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . c18964_2m3i 1 . 3 . 397 . 1 1 2 CYS H H -3.012 5.133 -3.218 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . c18964_2m3i 1 . 3 . 398 . 1 1 2 CYS HA H -4.230 2.537 -3.915 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . c18964_2m3i 1 . 3 . 399 . 1 1 2 CYS HB2 H -2.272 3.504 -5.493 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . c18964_2m3i 1 . 3 . 400 . 1 1 2 CYS HB3 H -1.337 2.902 -4.126 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . c18964_2m3i 1 . 3 . 401 . 1 1 2 CYS N N -3.611 4.514 -3.692 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . c18964_2m3i 1 . 3 . 402 . 1 1 2 CYS O O -3.271 1.812 -1.690 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . c18964_2m3i 1 . 3 . 403 . 1 1 2 CYS SG S -2.232 1.080 -5.438 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . c18964_2m3i 1 . 3 . 404 . 1 1 3 CYS C C -2.095 3.192 0.607 . . . 1.0 . . . . . . . . . . . . A . 3 CYS C . . . . . . . . . c18964_2m3i 1 . 3 . 405 . 1 1 3 CYS CA C -1.147 3.270 -0.586 . . . 1.0 . . . . . . . . . . . . A . 3 CYS CA . . . . . . . . . c18964_2m3i 1 . 3 . 406 . 1 1 3 CYS CB C -0.089 4.338 -0.368 . . . 1.0 . . . . . . . . . . . . A . 3 CYS CB . . . . . . . . . c18964_2m3i 1 . 3 . 407 . 1 1 3 CYS H H -1.562 4.314 -2.353 . . . 1.0 . . . . . . . . . . . . A . 3 CYS H . . . . . . . . . c18964_2m3i 1 . 3 . 408 . 1 1 3 CYS HA H -0.647 2.317 -0.680 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HA . . . . . . . . . c18964_2m3i 1 . 3 . 409 . 1 1 3 CYS HB2 H -0.563 5.307 -0.331 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HB2 . . . . . . . . . c18964_2m3i 1 . 3 . 410 . 1 1 3 CYS HB3 H 0.411 4.150 0.570 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HB3 . . . . . . . . . c18964_2m3i 1 . 3 . 411 . 1 1 3 CYS N N -1.843 3.520 -1.846 . . . 1.0 . . . . . . . . . . . . A . 3 CYS N . . . . . . . . . c18964_2m3i 1 . 3 . 412 . 1 1 3 CYS O O -1.819 2.513 1.586 . . . 1.0 . . . . . . . . . . . . A . 3 CYS O . . . . . . . . . c18964_2m3i 1 . 3 . 413 . 1 1 3 CYS SG S 1.184 4.387 -1.676 . . . 1.0 . . . . . . . . . . . . A . 3 CYS SG . . . . . . . . . c18964_2m3i 1 . 3 . 414 . 1 1 4 SER C C -5.208 2.638 1.369 . . . 1.0 . . . . . . . . . . . . A . 4 SER C . . . . . . . . . c18964_2m3i 1 . 3 . 415 . 1 1 4 SER CA C -4.226 3.820 1.545 . . . 1.0 . . . . . . . . . . . . A . 4 SER CA . . . . . . . . . c18964_2m3i 1 . 3 . 416 . 1 1 4 SER CB C -4.963 5.157 1.556 . . . 1.0 . . . . . . . . . . . . A . 4 SER CB . . . . . . . . . c18964_2m3i 1 . 3 . 417 . 1 1 4 SER H H -3.386 4.306 -0.357 . . . 1.0 . . . . . . . . . . . . A . 4 SER H . . . . . . . . . c18964_2m3i 1 . 3 . 418 . 1 1 4 SER HA H -3.707 3.698 2.484 . . . 1.0 . . . . . . . . . . . . A . 4 SER HA . . . . . . . . . c18964_2m3i 1 . 3 . 419 . 1 1 4 SER HB2 H -5.414 5.315 0.589 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB2 . . . . . . . . . c18964_2m3i 1 . 3 . 420 . 1 1 4 SER HB3 H -5.725 5.149 2.320 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB3 . . . . . . . . . c18964_2m3i 1 . 3 . 421 . 1 1 4 SER HG H -3.195 5.841 1.983 . . . 1.0 . . . . . . . . . . . . A . 4 SER HG . . . . . . . . . c18964_2m3i 1 . 3 . 422 . 1 1 4 SER N N -3.227 3.827 0.489 . . . 1.0 . . . . . . . . . . . . A . 4 SER N . . . . . . . . . c18964_2m3i 1 . 3 . 423 . 1 1 4 SER O O -6.285 2.606 1.969 . . . 1.0 . . . . . . . . . . . . A . 4 SER O . . . . . . . . . c18964_2m3i 1 . 3 . 424 . 1 1 4 SER OG O -4.061 6.240 1.810 . . . 1.0 . . . . . . . . . . . . A . 4 SER OG . . . . . . . . . c18964_2m3i 1 . 3 . 425 . 1 1 5 HIS C C -4.642 -0.735 0.524 . . . 1.0 . . . . . . . . . . . . A . 5 HIS C . . . . . . . . . c18964_2m3i 1 . 3 . 426 . 1 1 5 HIS CA C -5.563 0.478 0.302 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CA . . . . . . . . . c18964_2m3i 1 . 3 . 427 . 1 1 5 HIS CB C -6.080 0.558 -1.166 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CB . . . . . . . . . c18964_2m3i 1 . 3 . 428 . 1 1 5 HIS CD2 C -7.957 -1.255 -1.080 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CD2 . . . . . . . . . c18964_2m3i 1 . 3 . 429 . 1 1 5 HIS CE1 C -7.640 -2.175 -3.019 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CE1 . . . . . . . . . c18964_2m3i 1 . 3 . 430 . 1 1 5 HIS CG C -6.910 -0.606 -1.657 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CG . . . . . . . . . c18964_2m3i 1 . 3 . 431 . 1 1 5 HIS H H -3.896 1.707 0.191 . . . 1.0 . . . . . . . . . . . . A . 5 HIS H . . . . . . . . . c18964_2m3i 1 . 3 . 432 . 1 1 5 HIS HA H -6.396 0.448 0.988 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HA . . . . . . . . . c18964_2m3i 1 . 3 . 433 . 1 1 5 HIS HB2 H -6.681 1.449 -1.266 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB2 . . . . . . . . . c18964_2m3i 1 . 3 . 434 . 1 1 5 HIS HB3 H -5.223 0.656 -1.817 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB3 . . . . . . . . . c18964_2m3i 1 . 3 . 435 . 1 1 5 HIS HD1 H -6.086 -0.946 -3.586 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD1 . . . . . . . . . c18964_2m3i 1 . 3 . 436 . 1 1 5 HIS HD2 H -8.401 -1.020 -0.124 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD2 . . . . . . . . . c18964_2m3i 1 . 3 . 437 . 1 1 5 HIS HE1 H -7.732 -2.809 -3.890 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HE1 . . . . . . . . . c18964_2m3i 1 . 3 . 438 . 1 1 5 HIS N N -4.792 1.660 0.596 . . . 1.0 . . . . . . . . . . . . A . 5 HIS N . . . . . . . . . c18964_2m3i 1 . 3 . 439 . 1 1 5 HIS ND1 N -6.731 -1.207 -2.888 . . . 1.0 . . . . . . . . . . . . A . 5 HIS ND1 . . . . . . . . . c18964_2m3i 1 . 3 . 440 . 1 1 5 HIS NE2 N -8.413 -2.251 -1.943 . . . 1.0 . . . . . . . . . . . . A . 5 HIS NE2 . . . . . . . . . c18964_2m3i 1 . 3 . 441 . 1 1 5 HIS O O -3.524 -0.757 -0.014 . . . 1.0 . . . . . . . . . . . . A . 5 HIS O . . . . . . . . . c18964_2m3i 1 . 3 . 442 . 1 1 6 PRO C C -3.300 -3.449 0.759 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . c18964_2m3i 1 . 3 . 443 . 1 1 6 PRO CA C -4.336 -2.927 1.767 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . c18964_2m3i 1 . 3 . 444 . 1 1 6 PRO CB C -5.440 -3.954 1.945 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . c18964_2m3i 1 . 3 . 445 . 1 1 6 PRO CD C -6.403 -1.724 2.029 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . c18964_2m3i 1 . 3 . 446 . 1 1 6 PRO CG C -6.652 -3.178 2.363 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . c18964_2m3i 1 . 3 . 447 . 1 1 6 PRO HA H -3.855 -2.780 2.722 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . c18964_2m3i 1 . 3 . 448 . 1 1 6 PRO HB2 H -5.597 -4.456 1.003 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB2 . . . . . . . . . c18964_2m3i 1 . 3 . 449 . 1 1 6 PRO HB3 H -5.151 -4.675 2.694 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . c18964_2m3i 1 . 3 . 450 . 1 1 6 PRO HD2 H -7.176 -1.362 1.370 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD2 . . . . . . . . . c18964_2m3i 1 . 3 . 451 . 1 1 6 PRO HD3 H -6.378 -1.136 2.934 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . c18964_2m3i 1 . 3 . 452 . 1 1 6 PRO HG2 H -7.515 -3.538 1.821 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG2 . . . . . . . . . c18964_2m3i 1 . 3 . 453 . 1 1 6 PRO HG3 H -6.814 -3.297 3.423 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . c18964_2m3i 1 . 3 . 454 . 1 1 6 PRO N N -5.089 -1.721 1.360 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . c18964_2m3i 1 . 3 . 455 . 1 1 6 PRO O O -2.119 -3.585 1.094 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . c18964_2m3i 1 . 3 . 456 . 1 1 7 VAL C C -1.622 -3.420 -1.804 . . . 1.0 . . . . . . . . . . . . A . 7 VAL C . . . . . . . . . c18964_2m3i 1 . 3 . 457 . 1 1 7 VAL CA C -2.856 -4.279 -1.488 . . . 1.0 . . . . . . . . . . . . A . 7 VAL CA . . . . . . . . . c18964_2m3i 1 . 3 . 458 . 1 1 7 VAL CB C -3.612 -4.660 -2.790 . . . 1.0 . . . . . . . . . . . . A . 7 VAL CB . . . . . . . . . c18964_2m3i 1 . 3 . 459 . 1 1 7 VAL CG1 C -4.646 -5.736 -2.508 . . . 1.0 . . . . . . . . . . . . A . 7 VAL CG1 . . . . . . . . . c18964_2m3i 1 . 3 . 460 . 1 1 7 VAL CG2 C -4.281 -3.452 -3.409 . . . 1.0 . . . . . . . . . . . . A . 7 VAL CG2 . . . . . . . . . c18964_2m3i 1 . 3 . 461 . 1 1 7 VAL H H -4.661 -3.480 -0.692 . . . 1.0 . . . . . . . . . . . . A . 7 VAL H . . . . . . . . . c18964_2m3i 1 . 3 . 462 . 1 1 7 VAL HA H -2.478 -5.190 -1.048 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HA . . . . . . . . . c18964_2m3i 1 . 3 . 463 . 1 1 7 VAL HB H -2.896 -5.057 -3.494 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HB . . . . . . . . . c18964_2m3i 1 . 3 . 464 . 1 1 7 VAL HG11 H -4.156 -6.617 -2.122 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG11 . . . . . . . . . c18964_2m3i 1 . 3 . 465 . 1 1 7 VAL HG12 H -5.169 -5.983 -3.420 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG12 . . . . . . . . . c18964_2m3i 1 . 3 . 466 . 1 1 7 VAL HG13 H -5.349 -5.367 -1.777 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG13 . . . . . . . . . c18964_2m3i 1 . 3 . 467 . 1 1 7 VAL HG21 H -3.533 -2.715 -3.663 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG21 . . . . . . . . . c18964_2m3i 1 . 3 . 468 . 1 1 7 VAL HG22 H -4.977 -3.027 -2.701 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG22 . . . . . . . . . c18964_2m3i 1 . 3 . 469 . 1 1 7 VAL HG23 H -4.813 -3.751 -4.299 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG23 . . . . . . . . . c18964_2m3i 1 . 3 . 470 . 1 1 7 VAL N N -3.729 -3.693 -0.472 . . . 1.0 . . . . . . . . . . . . A . 7 VAL N . . . . . . . . . c18964_2m3i 1 . 3 . 471 . 1 1 7 VAL O O -0.525 -3.946 -2.005 . . . 1.0 . . . . . . . . . . . . A . 7 VAL O . . . . . . . . . c18964_2m3i 1 . 3 . 472 . 1 1 8 CYS C C 0.079 -0.915 -0.812 . . . 1.0 . . . . . . . . . . . . A . 8 CYS C . . . . . . . . . c18964_2m3i 1 . 3 . 473 . 1 1 8 CYS CA C -0.658 -1.252 -2.101 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CA . . . . . . . . . c18964_2m3i 1 . 3 . 474 . 1 1 8 CYS CB C -1.147 0.013 -2.768 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CB . . . . . . . . . c18964_2m3i 1 . 3 . 475 . 1 1 8 CYS H H -2.640 -1.723 -1.556 . . . 1.0 . . . . . . . . . . . . A . 8 CYS H . . . . . . . . . c18964_2m3i 1 . 3 . 476 . 1 1 8 CYS HA H 0.004 -1.785 -2.767 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HA . . . . . . . . . c18964_2m3i 1 . 3 . 477 . 1 1 8 CYS HB2 H -1.494 0.703 -2.012 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB2 . . . . . . . . . c18964_2m3i 1 . 3 . 478 . 1 1 8 CYS HB3 H -0.345 0.476 -3.320 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB3 . . . . . . . . . c18964_2m3i 1 . 3 . 479 . 1 1 8 CYS N N -1.773 -2.121 -1.788 . . . 1.0 . . . . . . . . . . . . A . 8 CYS N . . . . . . . . . c18964_2m3i 1 . 3 . 480 . 1 1 8 CYS O O 1.266 -0.591 -0.821 . . . 1.0 . . . . . . . . . . . . A . 8 CYS O . . . . . . . . . c18964_2m3i 1 . 3 . 481 . 1 1 8 CYS SG S -2.531 -0.252 -3.932 . . . 1.0 . . . . . . . . . . . . A . 8 CYS SG . . . . . . . . . c18964_2m3i 1 . 3 . 482 . 1 1 9 SER C C 0.947 -1.938 1.925 . . . 1.0 . . . . . . . . . . . . A . 9 SER C . . . . . . . . . c18964_2m3i 1 . 3 . 483 . 1 1 9 SER CA C -0.060 -0.807 1.604 . . . 1.0 . . . . . . . . . . . . A . 9 SER CA . . . . . . . . . c18964_2m3i 1 . 3 . 484 . 1 1 9 SER CB C -1.174 -0.735 2.668 . . . 1.0 . . . . . . . . . . . . A . 9 SER CB . . . . . . . . . c18964_2m3i 1 . 3 . 485 . 1 1 9 SER H H -1.583 -1.266 0.254 . . . 1.0 . . . . . . . . . . . . A . 9 SER H . . . . . . . . . c18964_2m3i 1 . 3 . 486 . 1 1 9 SER HA H 0.421 0.155 1.527 . . . 1.0 . . . . . . . . . . . . A . 9 SER HA . . . . . . . . . c18964_2m3i 1 . 3 . 487 . 1 1 9 SER HB2 H -1.890 0.022 2.382 . . . 1.0 . . . . . . . . . . . . A . 9 SER HB2 . . . . . . . . . c18964_2m3i 1 . 3 . 488 . 1 1 9 SER HB3 H -1.673 -1.691 2.719 . . . 1.0 . . . . . . . . . . . . A . 9 SER HB3 . . . . . . . . . c18964_2m3i 1 . 3 . 489 . 1 1 9 SER HG H -0.570 0.552 3.984 . . . 1.0 . . . . . . . . . . . . A . 9 SER HG . . . . . . . . . c18964_2m3i 1 . 3 . 490 . 1 1 9 SER N N -0.631 -1.035 0.306 . . . 1.0 . . . . . . . . . . . . A . 9 SER N . . . . . . . . . c18964_2m3i 1 . 3 . 491 . 1 1 9 SER O O 1.911 -1.749 2.669 . . . 1.0 . . . . . . . . . . . . A . 9 SER O . . . . . . . . . c18964_2m3i 1 . 3 . 492 . 1 1 9 SER OG O -0.664 -0.410 3.962 . . . 1.0 . . . . . . . . . . . . A . 9 SER OG . . . . . . . . . c18964_2m3i 1 . 3 . 493 . 1 1 10 ALA C C 2.714 -4.162 0.469 . . . 1.0 . . . . . . . . . . . . A . 10 ALA C . . . . . . . . . c18964_2m3i 1 . 3 . 494 . 1 1 10 ALA CA C 1.615 -4.240 1.520 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CA . . . . . . . . . c18964_2m3i 1 . 3 . 495 . 1 1 10 ALA CB C 0.869 -5.563 1.439 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CB . . . . . . . . . c18964_2m3i 1 . 3 . 496 . 1 1 10 ALA H H -0.147 -3.247 0.884 . . . 1.0 . . . . . . . . . . . . A . 10 ALA H . . . . . . . . . c18964_2m3i 1 . 3 . 497 . 1 1 10 ALA HA H 2.086 -4.155 2.487 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HA . . . . . . . . . c18964_2m3i 1 . 3 . 498 . 1 1 10 ALA HB1 H 0.411 -5.657 0.465 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB1 . . . . . . . . . c18964_2m3i 1 . 3 . 499 . 1 1 10 ALA HB2 H 0.105 -5.594 2.201 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB2 . . . . . . . . . c18964_2m3i 1 . 3 . 500 . 1 1 10 ALA HB3 H 1.562 -6.378 1.589 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB3 . . . . . . . . . c18964_2m3i 1 . 3 . 501 . 1 1 10 ALA N N 0.700 -3.120 1.368 . . . 1.0 . . . . . . . . . . . . A . 10 ALA N . . . . . . . . . c18964_2m3i 1 . 3 . 502 . 1 1 10 ALA O O 3.838 -4.628 0.692 . . . 1.0 . . . . . . . . . . . . A . 10 ALA O . . . . . . . . . c18964_2m3i 1 . 3 . 503 . 1 1 11 MET C C 4.448 -2.457 -1.265 . . . 1.0 . . . . . . . . . . . . A . 11 MET C . . . . . . . . . c18964_2m3i 1 . 3 . 504 . 1 1 11 MET CA C 3.323 -3.329 -1.765 . . . 1.0 . . . . . . . . . . . . A . 11 MET CA . . . . . . . . . c18964_2m3i 1 . 3 . 505 . 1 1 11 MET CB C 2.605 -2.644 -2.936 . . . 1.0 . . . . . . . . . . . . A . 11 MET CB . . . . . . . . . c18964_2m3i 1 . 3 . 506 . 1 1 11 MET CE C 3.831 -1.124 -6.624 . . . 1.0 . . . . . . . . . . . . A . 11 MET CE . . . . . . . . . c18964_2m3i 1 . 3 . 507 . 1 1 11 MET CG C 3.486 -2.287 -4.126 . . . 1.0 . . . . . . . . . . . . A . 11 MET CG . . . . . . . . . c18964_2m3i 1 . 3 . 508 . 1 1 11 MET H H 1.444 -3.286 -0.776 . . . 1.0 . . . . . . . . . . . . A . 11 MET H . . . . . . . . . c18964_2m3i 1 . 3 . 509 . 1 1 11 MET HA H 3.733 -4.265 -2.088 . . . 1.0 . . . . . . . . . . . . A . 11 MET HA . . . . . . . . . c18964_2m3i 1 . 3 . 510 . 1 1 11 MET HB2 H 1.819 -3.295 -3.289 . . . 1.0 . . . . . . . . . . . . A . 11 MET HB2 . . . . . . . . . c18964_2m3i 1 . 3 . 511 . 1 1 11 MET HB3 H 2.156 -1.734 -2.565 . . . 1.0 . . . . . . . . . . . . A . 11 MET HB3 . . . . . . . . . c18964_2m3i 1 . 3 . 512 . 1 1 11 MET HE1 H 4.655 -0.574 -6.194 . . . 1.0 . . . . . . . . . . . . A . 11 MET HE1 . . . . . . . . . c18964_2m3i 1 . 3 . 513 . 1 1 11 MET HE2 H 3.418 -0.567 -7.452 . . . 1.0 . . . . . . . . . . . . A . 11 MET HE2 . . . . . . . . . c18964_2m3i 1 . 3 . 514 . 1 1 11 MET HE3 H 4.182 -2.083 -6.975 . . . 1.0 . . . . . . . . . . . . A . 11 MET HE3 . . . . . . . . . c18964_2m3i 1 . 3 . 515 . 1 1 11 MET HG2 H 4.306 -1.675 -3.779 . . . 1.0 . . . . . . . . . . . . A . 11 MET HG2 . . . . . . . . . c18964_2m3i 1 . 3 . 516 . 1 1 11 MET HG3 H 3.873 -3.192 -4.568 . . . 1.0 . . . . . . . . . . . . A . 11 MET HG3 . . . . . . . . . c18964_2m3i 1 . 3 . 517 . 1 1 11 MET N N 2.376 -3.566 -0.671 . . . 1.0 . . . . . . . . . . . . A . 11 MET N . . . . . . . . . c18964_2m3i 1 . 3 . 518 . 1 1 11 MET O O 5.626 -2.802 -1.340 . . . 1.0 . . . . . . . . . . . . A . 11 MET O . . . . . . . . . c18964_2m3i 1 . 3 . 519 . 1 1 11 MET SD S 2.564 -1.372 -5.381 . . . 1.0 . . . . . . . . . . . . A . 11 MET SD . . . . . . . . . c18964_2m3i 1 . 3 . 520 . 1 1 12 SER C C 4.464 -0.011 1.195 . . . 1.0 . . . . . . . . . . . . A . 12 SER C . . . . . . . . . c18964_2m3i 1 . 3 . 521 . 1 1 12 SER CA C 4.979 -0.446 -0.170 . . . 1.0 . . . . . . . . . . . . A . 12 SER CA . . . . . . . . . c18964_2m3i 1 . 3 . 522 . 1 1 12 SER CB C 5.145 0.743 -1.093 . . . 1.0 . . . . . . . . . . . . A . 12 SER CB . . . . . . . . . c18964_2m3i 1 . 3 . 523 . 1 1 12 SER H H 3.106 -1.192 -0.722 . . . 1.0 . . . . . . . . . . . . A . 12 SER H . . . . . . . . . c18964_2m3i 1 . 3 . 524 . 1 1 12 SER HA H 5.931 -0.944 -0.060 . . . 1.0 . . . . . . . . . . . . A . 12 SER HA . . . . . . . . . c18964_2m3i 1 . 3 . 525 . 1 1 12 SER HB2 H 5.270 0.368 -2.096 . . . 1.0 . . . . . . . . . . . . A . 12 SER HB2 . . . . . . . . . c18964_2m3i 1 . 3 . 526 . 1 1 12 SER HB3 H 4.242 1.335 -1.049 . . . 1.0 . . . . . . . . . . . . A . 12 SER HB3 . . . . . . . . . c18964_2m3i 1 . 3 . 527 . 1 1 12 SER HG H 6.987 1.298 -1.271 . . . 1.0 . . . . . . . . . . . . A . 12 SER HG . . . . . . . . . c18964_2m3i 1 . 3 . 528 . 1 1 12 SER N N 4.070 -1.368 -0.728 . . . 1.0 . . . . . . . . . . . . A . 12 SER N . . . . . . . . . c18964_2m3i 1 . 3 . 529 . 1 1 12 SER O O 3.600 0.873 1.299 . . . 1.0 . . . . . . . . . . . . A . 12 SER O . . . . . . . . . c18964_2m3i 1 . 3 . 530 . 1 1 12 SER OG O 6.246 1.547 -0.701 . . . 1.0 . . . . . . . . . . . . A . 12 SER OG . . . . . . . . . c18964_2m3i 1 . 3 . 531 . 1 1 13 PRO C C 5.110 0.978 4.161 . . . 1.0 . . . . . . . . . . . . A . 13 PRO C . . . . . . . . . c18964_2m3i 1 . 3 . 532 . 1 1 13 PRO CA C 4.531 -0.334 3.639 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CA . . . . . . . . . c18964_2m3i 1 . 3 . 533 . 1 1 13 PRO CB C 5.055 -1.518 4.448 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CB . . . . . . . . . c18964_2m3i 1 . 3 . 534 . 1 1 13 PRO CD C 5.994 -1.703 2.242 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CD . . . . . . . . . c18964_2m3i 1 . 3 . 535 . 1 1 13 PRO CG C 6.240 -2.010 3.692 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CG . . . . . . . . . c18964_2m3i 1 . 3 . 536 . 1 1 13 PRO HA H 3.453 -0.295 3.704 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HA . . . . . . . . . c18964_2m3i 1 . 3 . 537 . 1 1 13 PRO HB2 H 5.328 -1.185 5.439 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HB2 . . . . . . . . . c18964_2m3i 1 . 3 . 538 . 1 1 13 PRO HB3 H 4.291 -2.278 4.517 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HB3 . . . . . . . . . c18964_2m3i 1 . 3 . 539 . 1 1 13 PRO HD2 H 6.903 -1.351 1.778 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HD2 . . . . . . . . . c18964_2m3i 1 . 3 . 540 . 1 1 13 PRO HD3 H 5.622 -2.577 1.729 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HD3 . . . . . . . . . c18964_2m3i 1 . 3 . 541 . 1 1 13 PRO HG2 H 7.131 -1.501 4.030 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HG2 . . . . . . . . . c18964_2m3i 1 . 3 . 542 . 1 1 13 PRO HG3 H 6.331 -3.077 3.834 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HG3 . . . . . . . . . c18964_2m3i 1 . 3 . 543 . 1 1 13 PRO N N 4.969 -0.633 2.272 . . . 1.0 . . . . . . . . . . . . A . 13 PRO N . . . . . . . . . c18964_2m3i 1 . 3 . 544 . 1 1 13 PRO O O 4.920 1.344 5.314 . . . 1.0 . . . . . . . . . . . . A . 13 PRO O . . . . . . . . . c18964_2m3i 1 . 3 . 545 . 1 1 14 ILE C C 5.486 4.028 3.104 . . . 1.0 . . . . . . . . . . . . A . 14 ILE C . . . . . . . . . c18964_2m3i 1 . 3 . 546 . 1 1 14 ILE CA C 6.405 2.936 3.652 . . . 1.0 . . . . . . . . . . . . A . 14 ILE CA . . . . . . . . . c18964_2m3i 1 . 3 . 547 . 1 1 14 ILE CB C 7.853 3.083 3.080 . . . 1.0 . . . . . . . . . . . . A . 14 ILE CB . . . . . . . . . c18964_2m3i 1 . 3 . 548 . 1 1 14 ILE CD1 C 8.887 1.633 4.950 . . . 1.0 . . . . . . . . . . . . A . 14 ILE CD1 . . . . . . . . . c18964_2m3i 1 . 3 . 549 . 1 1 14 ILE CG1 C 8.723 1.862 3.458 . . . 1.0 . . . . . . . . . . . . A . 14 ILE CG1 . . . . . . . . . c18964_2m3i 1 . 3 . 550 . 1 1 14 ILE CG2 C 8.522 4.374 3.564 . . . 1.0 . . . . . . . . . . . . A . 14 ILE CG2 . . . . . . . . . c18964_2m3i 1 . 3 . 551 . 1 1 14 ILE H H 6.002 1.284 2.426 . . . 1.0 . . . . . . . . . . . . A . 14 ILE H . . . . . . . . . c18964_2m3i 1 . 3 . 552 . 1 1 14 ILE HA H 6.422 2.975 4.724 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HA . . . . . . . . . c18964_2m3i 1 . 3 . 553 . 1 1 14 ILE HB H 7.779 3.130 2.004 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HB . . . . . . . . . c18964_2m3i 1 . 3 . 554 . 1 1 14 ILE HD11 H 7.919 1.463 5.398 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HD11 . . . . . . . . . c18964_2m3i 1 . 3 . 555 . 1 1 14 ILE HD12 H 9.342 2.504 5.399 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HD12 . . . . . . . . . c18964_2m3i 1 . 3 . 556 . 1 1 14 ILE HD13 H 9.518 0.771 5.115 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HD13 . . . . . . . . . c18964_2m3i 1 . 3 . 557 . 1 1 14 ILE HG12 H 8.274 0.972 3.044 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HG12 . . . . . . . . . c18964_2m3i 1 . 3 . 558 . 1 1 14 ILE HG13 H 9.707 1.987 3.029 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HG13 . . . . . . . . . c18964_2m3i 1 . 3 . 559 . 1 1 14 ILE HG21 H 7.928 5.222 3.258 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HG21 . . . . . . . . . c18964_2m3i 1 . 3 . 560 . 1 1 14 ILE HG22 H 9.507 4.452 3.127 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HG22 . . . . . . . . . c18964_2m3i 1 . 3 . 561 . 1 1 14 ILE HG23 H 8.604 4.358 4.639 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HG23 . . . . . . . . . c18964_2m3i 1 . 3 . 562 . 1 1 14 ILE N N 5.836 1.663 3.310 . . . 1.0 . . . . . . . . . . . . A . 14 ILE N . . . . . . . . . c18964_2m3i 1 . 3 . 563 . 1 1 14 ILE O O 5.580 5.194 3.443 . . . 1.0 . . . . . . . . . . . . A . 14 ILE O . . . . . . . . . c18964_2m3i 1 . 3 . 564 . 1 1 15 CYS C C 2.244 4.249 2.226 . . . 1.0 . . . . . . . . . . . . A . 15 CYS C . . . . . . . . . c18964_2m3i 1 . 3 . 565 . 1 1 15 CYS CA C 3.634 4.486 1.651 . . . 1.0 . . . . . . . . . . . . A . 15 CYS CA . . . . . . . . . c18964_2m3i 1 . 3 . 566 . 1 1 15 CYS CB C 3.646 4.251 0.130 . . . 1.0 . . . . . . . . . . . . A . 15 CYS CB . . . . . . . . . c18964_2m3i 1 . 3 . 567 . 1 1 15 CYS H H 4.500 2.632 2.194 . . . 1.0 . . . . . . . . . . . . A . 15 CYS H . . . . . . . . . c18964_2m3i 1 . 3 . 568 . 1 1 15 CYS HA H 3.933 5.501 1.860 . . . 1.0 . . . . . . . . . . . . A . 15 CYS HA . . . . . . . . . c18964_2m3i 1 . 3 . 569 . 1 1 15 CYS HB2 H 4.665 4.272 -0.226 . . . 1.0 . . . . . . . . . . . . A . 15 CYS HB2 . . . . . . . . . c18964_2m3i 1 . 3 . 570 . 1 1 15 CYS HB3 H 3.226 3.273 -0.061 . . . 1.0 . . . . . . . . . . . . A . 15 CYS HB3 . . . . . . . . . c18964_2m3i 1 . 3 . 571 . 1 1 15 CYS N N 4.566 3.602 2.306 . . . 1.0 . . . . . . . . . . . . A . 15 CYS N . . . . . . . . . c18964_2m3i 1 . 3 . 572 . 1 1 15 CYS O O 1.610 5.161 2.771 . . . 1.0 . . . . . . . . . . . . A . 15 CYS O . . . . . . . . . c18964_2m3i 1 . 3 . 573 . 1 1 15 CYS SG S 2.686 5.470 -0.852 . . . 1.0 . . . . . . . . . . . . A . 15 CYS SG . . . . . . . . . c18964_2m3i 1 . 3 . 574 . 1 1 16 NH2 HN1 H 2.298 2.347 1.646 . . . 1.0 . . . . . . . . . . . . A . 16 NH2 HN1 . . . . . . . . . c18964_2m3i 1 . 3 . 575 . 1 1 16 NH2 HN2 H 0.858 2.863 2.451 . . . 1.0 . . . . . . . . . . . . A . 16 NH2 HN2 . . . . . . . . . c18964_2m3i 1 . 3 . 576 . 1 1 16 NH2 N N 1.753 3.033 2.088 . . . 1.0 . . . . . . . . . . . . A . 16 NH2 N . . . . . . . . . c18964_2m3i 1 . 4 . 577 . 1 1 1 GLY C C -0.655 5.377 -4.832 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c18964_2m3i 1 . 4 . 578 . 1 1 1 GLY CA C 0.679 5.730 -5.412 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c18964_2m3i 1 . 4 . 579 . 1 1 1 GLY H1 H 0.114 7.560 -6.183 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c18964_2m3i 1 . 4 . 580 . 1 1 1 GLY H2 H -0.143 6.256 -7.199 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H2 . . . . . . . . . c18964_2m3i 1 . 4 . 581 . 1 1 1 GLY H3 H 1.439 6.845 -6.993 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H3 . . . . . . . . . c18964_2m3i 1 . 4 . 582 . 1 1 1 GLY HA2 H 1.149 4.827 -5.772 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c18964_2m3i 1 . 4 . 583 . 1 1 1 GLY HA3 H 1.295 6.173 -4.645 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c18964_2m3i 1 . 4 . 584 . 1 1 1 GLY N N 0.530 6.670 -6.522 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c18964_2m3i 1 . 4 . 585 . 1 1 1 GLY O O -1.638 6.061 -5.090 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c18964_2m3i 1 . 4 . 586 . 1 1 2 CYS C C -2.105 4.338 -2.047 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . c18964_2m3i 1 . 4 . 587 . 1 1 2 CYS CA C -1.922 3.860 -3.483 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . c18964_2m3i 1 . 4 . 588 . 1 1 2 CYS CB C -1.900 2.367 -3.541 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . c18964_2m3i 1 . 4 . 589 . 1 1 2 CYS H H 0.086 3.783 -3.852 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . c18964_2m3i 1 . 4 . 590 . 1 1 2 CYS HA H -2.748 4.203 -4.085 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . c18964_2m3i 1 . 4 . 591 . 1 1 2 CYS HB2 H -2.641 2.003 -2.855 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . c18964_2m3i 1 . 4 . 592 . 1 1 2 CYS HB3 H -2.099 2.036 -4.543 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . c18964_2m3i 1 . 4 . 593 . 1 1 2 CYS N N -0.705 4.325 -4.061 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . c18964_2m3i 1 . 4 . 594 . 1 1 2 CYS O O -2.976 5.157 -1.765 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . c18964_2m3i 1 . 4 . 595 . 1 1 2 CYS SG S -0.309 1.640 -3.023 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . c18964_2m3i 1 . 4 . 596 . 1 1 3 CYS C C -2.514 3.570 1.012 . . . 1.0 . . . . . . . . . . . . A . 3 CYS C . . . . . . . . . c18964_2m3i 1 . 4 . 597 . 1 1 3 CYS CA C -1.269 4.113 0.276 . . . 1.0 . . . . . . . . . . . . A . 3 CYS CA . . . . . . . . . c18964_2m3i 1 . 4 . 598 . 1 1 3 CYS CB C -1.036 5.620 0.499 . . . 1.0 . . . . . . . . . . . . A . 3 CYS CB . . . . . . . . . c18964_2m3i 1 . 4 . 599 . 1 1 3 CYS H H -0.595 3.197 -1.510 . . . 1.0 . . . . . . . . . . . . A . 3 CYS H . . . . . . . . . c18964_2m3i 1 . 4 . 600 . 1 1 3 CYS HA H -0.420 3.578 0.677 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HA . . . . . . . . . c18964_2m3i 1 . 4 . 601 . 1 1 3 CYS HB2 H -0.066 5.839 0.078 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HB2 . . . . . . . . . c18964_2m3i 1 . 4 . 602 . 1 1 3 CYS HB3 H -1.781 6.143 -0.080 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HB3 . . . . . . . . . c18964_2m3i 1 . 4 . 603 . 1 1 3 CYS N N -1.274 3.811 -1.159 . . . 1.0 . . . . . . . . . . . . A . 3 CYS N . . . . . . . . . c18964_2m3i 1 . 4 . 604 . 1 1 3 CYS O O -2.400 2.664 1.839 . . . 1.0 . . . . . . . . . . . . A . 3 CYS O . . . . . . . . . c18964_2m3i 1 . 4 . 605 . 1 1 3 CYS SG S -1.068 6.258 2.234 . . . 1.0 . . . . . . . . . . . . A . 3 CYS SG . . . . . . . . . c18964_2m3i 1 . 4 . 606 . 1 1 4 SER C C -5.576 2.436 0.773 . . . 1.0 . . . . . . . . . . . . A . 4 SER C . . . . . . . . . c18964_2m3i 1 . 4 . 607 . 1 1 4 SER CA C -4.908 3.693 1.340 . . . 1.0 . . . . . . . . . . . . A . 4 SER CA . . . . . . . . . c18964_2m3i 1 . 4 . 608 . 1 1 4 SER CB C -5.849 4.890 1.289 . . . 1.0 . . . . . . . . . . . . A . 4 SER CB . . . . . . . . . c18964_2m3i 1 . 4 . 609 . 1 1 4 SER H H -3.747 4.600 -0.156 . . . 1.0 . . . . . . . . . . . . A . 4 SER H . . . . . . . . . c18964_2m3i 1 . 4 . 610 . 1 1 4 SER HA H -4.658 3.505 2.372 . . . 1.0 . . . . . . . . . . . . A . 4 SER HA . . . . . . . . . c18964_2m3i 1 . 4 . 611 . 1 1 4 SER HB2 H -6.135 5.092 0.268 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB2 . . . . . . . . . c18964_2m3i 1 . 4 . 612 . 1 1 4 SER HB3 H -6.729 4.680 1.879 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB3 . . . . . . . . . c18964_2m3i 1 . 4 . 613 . 1 1 4 SER HG H -4.479 5.737 2.386 . . . 1.0 . . . . . . . . . . . . A . 4 SER HG . . . . . . . . . c18964_2m3i 1 . 4 . 614 . 1 1 4 SER N N -3.687 4.028 0.640 . . . 1.0 . . . . . . . . . . . . A . 4 SER N . . . . . . . . . c18964_2m3i 1 . 4 . 615 . 1 1 4 SER O O -6.786 2.260 0.870 . . . 1.0 . . . . . . . . . . . . A . 4 SER O . . . . . . . . . c18964_2m3i 1 . 4 . 616 . 1 1 4 SER OG O -5.206 6.045 1.827 . . . 1.0 . . . . . . . . . . . . A . 4 SER OG . . . . . . . . . c18964_2m3i 1 . 4 . 617 . 1 1 5 HIS C C -4.552 -0.833 0.372 . . . 1.0 . . . . . . . . . . . . A . 5 HIS C . . . . . . . . . c18964_2m3i 1 . 4 . 618 . 1 1 5 HIS CA C -5.320 0.305 -0.268 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CA . . . . . . . . . c18964_2m3i 1 . 4 . 619 . 1 1 5 HIS CB C -5.243 0.230 -1.799 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CB . . . . . . . . . c18964_2m3i 1 . 4 . 620 . 1 1 5 HIS CD2 C -5.444 -2.189 -2.725 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CD2 . . . . . . . . . c18964_2m3i 1 . 4 . 621 . 1 1 5 HIS CE1 C -7.576 -2.239 -3.086 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CE1 . . . . . . . . . c18964_2m3i 1 . 4 . 622 . 1 1 5 HIS CG C -5.934 -0.975 -2.377 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CG . . . . . . . . . c18964_2m3i 1 . 4 . 623 . 1 1 5 HIS H H -3.827 1.737 0.197 . . . 1.0 . . . . . . . . . . . . A . 5 HIS H . . . . . . . . . c18964_2m3i 1 . 4 . 624 . 1 1 5 HIS HA H -6.352 0.250 0.044 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HA . . . . . . . . . c18964_2m3i 1 . 4 . 625 . 1 1 5 HIS HB2 H -5.709 1.111 -2.211 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB2 . . . . . . . . . c18964_2m3i 1 . 4 . 626 . 1 1 5 HIS HB3 H -4.206 0.199 -2.097 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB3 . . . . . . . . . c18964_2m3i 1 . 4 . 627 . 1 1 5 HIS HD1 H -7.931 -0.301 -2.489 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD1 . . . . . . . . . c18964_2m3i 1 . 4 . 628 . 1 1 5 HIS HD2 H -4.408 -2.493 -2.687 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD2 . . . . . . . . . c18964_2m3i 1 . 4 . 629 . 1 1 5 HIS HE1 H -8.571 -2.562 -3.358 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HE1 . . . . . . . . . c18964_2m3i 1 . 4 . 630 . 1 1 5 HIS N N -4.790 1.551 0.228 . . . 1.0 . . . . . . . . . . . . A . 5 HIS N . . . . . . . . . c18964_2m3i 1 . 4 . 631 . 1 1 5 HIS ND1 N -7.283 -1.030 -2.621 . . . 1.0 . . . . . . . . . . . . A . 5 HIS ND1 . . . . . . . . . c18964_2m3i 1 . 4 . 632 . 1 1 5 HIS NE2 N -6.488 -2.989 -3.168 . . . 1.0 . . . . . . . . . . . . A . 5 HIS NE2 . . . . . . . . . c18964_2m3i 1 . 4 . 633 . 1 1 5 HIS O O -3.398 -1.029 0.043 . . . 1.0 . . . . . . . . . . . . A . 5 HIS O . . . . . . . . . c18964_2m3i 1 . 4 . 634 . 1 1 6 PRO C C -3.571 -3.575 1.345 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . c18964_2m3i 1 . 4 . 635 . 1 1 6 PRO CA C -4.580 -2.681 2.094 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . c18964_2m3i 1 . 4 . 636 . 1 1 6 PRO CB C -5.783 -3.498 2.542 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . c18964_2m3i 1 . 4 . 637 . 1 1 6 PRO CD C -6.648 -1.470 1.600 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . c18964_2m3i 1 . 4 . 638 . 1 1 6 PRO CG C -6.864 -2.487 2.694 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . c18964_2m3i 1 . 4 . 639 . 1 1 6 PRO HA H -4.094 -2.270 2.967 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . c18964_2m3i 1 . 4 . 640 . 1 1 6 PRO HB2 H -6.021 -4.230 1.783 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB2 . . . . . . . . . c18964_2m3i 1 . 4 . 641 . 1 1 6 PRO HB3 H -5.569 -3.992 3.477 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . c18964_2m3i 1 . 4 . 642 . 1 1 6 PRO HD2 H -7.250 -1.701 0.733 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD2 . . . . . . . . . c18964_2m3i 1 . 4 . 643 . 1 1 6 PRO HD3 H -6.871 -0.477 1.960 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . c18964_2m3i 1 . 4 . 644 . 1 1 6 PRO HG2 H -7.828 -2.960 2.585 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG2 . . . . . . . . . c18964_2m3i 1 . 4 . 645 . 1 1 6 PRO HG3 H -6.787 -2.014 3.661 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . c18964_2m3i 1 . 4 . 646 . 1 1 6 PRO N N -5.205 -1.599 1.280 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . c18964_2m3i 1 . 4 . 647 . 1 1 6 PRO O O -2.444 -3.757 1.799 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . c18964_2m3i 1 . 4 . 648 . 1 1 7 VAL C C -1.869 -4.220 -1.111 . . . 1.0 . . . . . . . . . . . . A . 7 VAL C . . . . . . . . . c18964_2m3i 1 . 4 . 649 . 1 1 7 VAL CA C -3.090 -4.988 -0.591 . . . 1.0 . . . . . . . . . . . . A . 7 VAL CA . . . . . . . . . c18964_2m3i 1 . 4 . 650 . 1 1 7 VAL CB C -3.851 -5.628 -1.791 . . . 1.0 . . . . . . . . . . . . A . 7 VAL CB . . . . . . . . . c18964_2m3i 1 . 4 . 651 . 1 1 7 VAL CG1 C -2.964 -6.600 -2.565 . . . 1.0 . . . . . . . . . . . . A . 7 VAL CG1 . . . . . . . . . c18964_2m3i 1 . 4 . 652 . 1 1 7 VAL CG2 C -5.104 -6.332 -1.312 . . . 1.0 . . . . . . . . . . . . A . 7 VAL CG2 . . . . . . . . . c18964_2m3i 1 . 4 . 653 . 1 1 7 VAL H H -4.864 -3.879 -0.136 . . . 1.0 . . . . . . . . . . . . A . 7 VAL H . . . . . . . . . c18964_2m3i 1 . 4 . 654 . 1 1 7 VAL HA H -2.749 -5.772 0.068 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HA . . . . . . . . . c18964_2m3i 1 . 4 . 655 . 1 1 7 VAL HB H -4.144 -4.833 -2.462 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HB . . . . . . . . . c18964_2m3i 1 . 4 . 656 . 1 1 7 VAL HG11 H -2.102 -6.074 -2.949 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG11 . . . . . . . . . c18964_2m3i 1 . 4 . 657 . 1 1 7 VAL HG12 H -3.524 -7.023 -3.386 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG12 . . . . . . . . . c18964_2m3i 1 . 4 . 658 . 1 1 7 VAL HG13 H -2.638 -7.392 -1.907 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG13 . . . . . . . . . c18964_2m3i 1 . 4 . 659 . 1 1 7 VAL HG21 H -5.617 -6.768 -2.157 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG21 . . . . . . . . . c18964_2m3i 1 . 4 . 660 . 1 1 7 VAL HG22 H -5.751 -5.619 -0.824 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG22 . . . . . . . . . c18964_2m3i 1 . 4 . 661 . 1 1 7 VAL HG23 H -4.833 -7.111 -0.615 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG23 . . . . . . . . . c18964_2m3i 1 . 4 . 662 . 1 1 7 VAL N N -3.963 -4.095 0.187 . . . 1.0 . . . . . . . . . . . . A . 7 VAL N . . . . . . . . . c18964_2m3i 1 . 4 . 663 . 1 1 7 VAL O O -0.753 -4.749 -1.196 . . . 1.0 . . . . . . . . . . . . A . 7 VAL O . . . . . . . . . c18964_2m3i 1 . 4 . 664 . 1 1 8 CYS C C -0.188 -1.546 -0.807 . . . 1.0 . . . . . . . . . . . . A . 8 CYS C . . . . . . . . . c18964_2m3i 1 . 4 . 665 . 1 1 8 CYS CA C -1.030 -2.145 -1.927 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CA . . . . . . . . . c18964_2m3i 1 . 4 . 666 . 1 1 8 CYS CB C -1.608 -1.056 -2.805 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CB . . . . . . . . . c18964_2m3i 1 . 4 . 667 . 1 1 8 CYS H H -2.929 -2.550 -1.151 . . . 1.0 . . . . . . . . . . . . A . 8 CYS H . . . . . . . . . c18964_2m3i 1 . 4 . 668 . 1 1 8 CYS HA H -0.399 -2.784 -2.527 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HA . . . . . . . . . c18964_2m3i 1 . 4 . 669 . 1 1 8 CYS HB2 H -2.368 -1.468 -3.452 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB2 . . . . . . . . . c18964_2m3i 1 . 4 . 670 . 1 1 8 CYS HB3 H -2.057 -0.327 -2.147 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB3 . . . . . . . . . c18964_2m3i 1 . 4 . 671 . 1 1 8 CYS N N -2.067 -2.961 -1.376 . . . 1.0 . . . . . . . . . . . . A . 8 CYS N . . . . . . . . . c18964_2m3i 1 . 4 . 672 . 1 1 8 CYS O O 0.923 -1.108 -1.030 . . . 1.0 . . . . . . . . . . . . A . 8 CYS O . . . . . . . . . c18964_2m3i 1 . 4 . 673 . 1 1 8 CYS SG S -0.370 -0.201 -3.825 . . . 1.0 . . . . . . . . . . . . A . 8 CYS SG . . . . . . . . . c18964_2m3i 1 . 4 . 674 . 1 1 9 SER C C 1.181 -2.100 1.863 . . . 1.0 . . . . . . . . . . . . A . 9 SER C . . . . . . . . . c18964_2m3i 1 . 4 . 675 . 1 1 9 SER CA C 0.027 -1.124 1.567 . . . 1.0 . . . . . . . . . . . . A . 9 SER CA . . . . . . . . . c18964_2m3i 1 . 4 . 676 . 1 1 9 SER CB C -0.906 -1.021 2.758 . . . 1.0 . . . . . . . . . . . . A . 9 SER CB . . . . . . . . . c18964_2m3i 1 . 4 . 677 . 1 1 9 SER H H -1.648 -1.809 0.533 . . . 1.0 . . . . . . . . . . . . A . 9 SER H . . . . . . . . . c18964_2m3i 1 . 4 . 678 . 1 1 9 SER HA H 0.399 -0.141 1.325 . . . 1.0 . . . . . . . . . . . . A . 9 SER HA . . . . . . . . . c18964_2m3i 1 . 4 . 679 . 1 1 9 SER HB2 H -1.313 -1.995 2.985 . . . 1.0 . . . . . . . . . . . . A . 9 SER HB2 . . . . . . . . . c18964_2m3i 1 . 4 . 680 . 1 1 9 SER HB3 H -0.351 -0.649 3.606 . . . 1.0 . . . . . . . . . . . . A . 9 SER HB3 . . . . . . . . . c18964_2m3i 1 . 4 . 681 . 1 1 9 SER HG H -1.595 0.748 2.291 . . . 1.0 . . . . . . . . . . . . A . 9 SER HG . . . . . . . . . c18964_2m3i 1 . 4 . 682 . 1 1 9 SER N N -0.710 -1.558 0.403 . . . 1.0 . . . . . . . . . . . . A . 9 SER N . . . . . . . . . c18964_2m3i 1 . 4 . 683 . 1 1 9 SER O O 2.102 -1.800 2.617 . . . 1.0 . . . . . . . . . . . . A . 9 SER O . . . . . . . . . c18964_2m3i 1 . 4 . 684 . 1 1 9 SER OG O -1.975 -0.121 2.480 . . . 1.0 . . . . . . . . . . . . A . 9 SER OG . . . . . . . . . c18964_2m3i 1 . 4 . 685 . 1 1 10 ALA C C 3.099 -4.067 0.179 . . . 1.0 . . . . . . . . . . . . A . 10 ALA C . . . . . . . . . c18964_2m3i 1 . 4 . 686 . 1 1 10 ALA CA C 2.157 -4.258 1.355 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CA . . . . . . . . . c18964_2m3i 1 . 4 . 687 . 1 1 10 ALA CB C 1.581 -5.652 1.349 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CB . . . . . . . . . c18964_2m3i 1 . 4 . 688 . 1 1 10 ALA H H 0.261 -3.508 0.813 . . . 1.0 . . . . . . . . . . . . A . 10 ALA H . . . . . . . . . c18964_2m3i 1 . 4 . 689 . 1 1 10 ALA HA H 2.726 -4.106 2.260 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HA . . . . . . . . . c18964_2m3i 1 . 4 . 690 . 1 1 10 ALA HB1 H 2.378 -6.376 1.419 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB1 . . . . . . . . . c18964_2m3i 1 . 4 . 691 . 1 1 10 ALA HB2 H 1.037 -5.800 0.427 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB2 . . . . . . . . . c18964_2m3i 1 . 4 . 692 . 1 1 10 ALA HB3 H 0.904 -5.771 2.182 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB3 . . . . . . . . . c18964_2m3i 1 . 4 . 693 . 1 1 10 ALA N N 1.094 -3.282 1.278 . . . 1.0 . . . . . . . . . . . . A . 10 ALA N . . . . . . . . . c18964_2m3i 1 . 4 . 694 . 1 1 10 ALA O O 4.268 -4.466 0.227 . . . 1.0 . . . . . . . . . . . . A . 10 ALA O . . . . . . . . . c18964_2m3i 1 . 4 . 695 . 1 1 11 MET C C 4.203 -1.923 -1.776 . . . 1.0 . . . . . . . . . . . . A . 11 MET C . . . . . . . . . c18964_2m3i 1 . 4 . 696 . 1 1 11 MET CA C 3.356 -3.125 -2.063 . . . 1.0 . . . . . . . . . . . . A . 11 MET CA . . . . . . . . . c18964_2m3i 1 . 4 . 697 . 1 1 11 MET CB C 2.447 -2.862 -3.271 . . . 1.0 . . . . . . . . . . . . A . 11 MET CB . . . . . . . . . c18964_2m3i 1 . 4 . 698 . 1 1 11 MET CE C 3.457 -4.440 -5.900 . . . 1.0 . . . . . . . . . . . . A . 11 MET CE . . . . . . . . . c18964_2m3i 1 . 4 . 699 . 1 1 11 MET CG C 1.702 -4.086 -3.775 . . . 1.0 . . . . . . . . . . . . A . 11 MET CG . . . . . . . . . c18964_2m3i 1 . 4 . 700 . 1 1 11 MET H H 1.638 -3.187 -0.818 . . . 1.0 . . . . . . . . . . . . A . 11 MET H . . . . . . . . . c18964_2m3i 1 . 4 . 701 . 1 1 11 MET HA H 4.010 -3.953 -2.270 . . . 1.0 . . . . . . . . . . . . A . 11 MET HA . . . . . . . . . c18964_2m3i 1 . 4 . 702 . 1 1 11 MET HB2 H 1.717 -2.117 -2.991 . . . 1.0 . . . . . . . . . . . . A . 11 MET HB2 . . . . . . . . . c18964_2m3i 1 . 4 . 703 . 1 1 11 MET HB3 H 3.045 -2.468 -4.080 . . . 1.0 . . . . . . . . . . . . A . 11 MET HB3 . . . . . . . . . c18964_2m3i 1 . 4 . 704 . 1 1 11 MET HE1 H 4.120 -5.086 -6.456 . . . 1.0 . . . . . . . . . . . . A . 11 MET HE1 . . . . . . . . . c18964_2m3i 1 . 4 . 705 . 1 1 11 MET HE2 H 4.007 -3.574 -5.568 . . . 1.0 . . . . . . . . . . . . A . 11 MET HE2 . . . . . . . . . c18964_2m3i 1 . 4 . 706 . 1 1 11 MET HE3 H 2.641 -4.128 -6.537 . . . 1.0 . . . . . . . . . . . . A . 11 MET HE3 . . . . . . . . . c18964_2m3i 1 . 4 . 707 . 1 1 11 MET HG2 H 1.166 -4.529 -2.949 . . . 1.0 . . . . . . . . . . . . A . 11 MET HG2 . . . . . . . . . c18964_2m3i 1 . 4 . 708 . 1 1 11 MET HG3 H 1.001 -3.777 -4.534 . . . 1.0 . . . . . . . . . . . . A . 11 MET HG3 . . . . . . . . . c18964_2m3i 1 . 4 . 709 . 1 1 11 MET N N 2.579 -3.449 -0.870 . . . 1.0 . . . . . . . . . . . . A . 11 MET N . . . . . . . . . c18964_2m3i 1 . 4 . 710 . 1 1 11 MET O O 5.349 -1.821 -2.196 . . . 1.0 . . . . . . . . . . . . A . 11 MET O . . . . . . . . . c18964_2m3i 1 . 4 . 711 . 1 1 11 MET SD S 2.805 -5.330 -4.474 . . . 1.0 . . . . . . . . . . . . A . 11 MET SD . . . . . . . . . c18964_2m3i 1 . 4 . 712 . 1 1 12 SER C C 4.094 0.185 0.896 . . . 1.0 . . . . . . . . . . . . A . 12 SER C . . . . . . . . . c18964_2m3i 1 . 4 . 713 . 1 1 12 SER CA C 4.290 0.126 -0.606 . . . 1.0 . . . . . . . . . . . . A . 12 SER CA . . . . . . . . . c18964_2m3i 1 . 4 . 714 . 1 1 12 SER CB C 3.735 1.385 -1.260 . . . 1.0 . . . . . . . . . . . . A . 12 SER CB . . . . . . . . . c18964_2m3i 1 . 4 . 715 . 1 1 12 SER H H 2.676 -1.163 -0.885 . . . 1.0 . . . . . . . . . . . . A . 12 SER H . . . . . . . . . c18964_2m3i 1 . 4 . 716 . 1 1 12 SER HA H 5.339 0.031 -0.843 . . . 1.0 . . . . . . . . . . . . A . 12 SER HA . . . . . . . . . c18964_2m3i 1 . 4 . 717 . 1 1 12 SER HB2 H 3.642 1.226 -2.322 . . . 1.0 . . . . . . . . . . . . A . 12 SER HB2 . . . . . . . . . c18964_2m3i 1 . 4 . 718 . 1 1 12 SER HB3 H 2.768 1.578 -0.817 . . . 1.0 . . . . . . . . . . . . A . 12 SER HB3 . . . . . . . . . c18964_2m3i 1 . 4 . 719 . 1 1 12 SER HG H 4.448 3.131 -1.735 . . . 1.0 . . . . . . . . . . . . A . 12 SER HG . . . . . . . . . c18964_2m3i 1 . 4 . 720 . 1 1 12 SER N N 3.627 -1.027 -1.078 . . . 1.0 . . . . . . . . . . . . A . 12 SER N . . . . . . . . . c18964_2m3i 1 . 4 . 721 . 1 1 12 SER O O 3.134 0.784 1.380 . . . 1.0 . . . . . . . . . . . . A . 12 SER O . . . . . . . . . c18964_2m3i 1 . 4 . 722 . 1 1 12 SER OG O 4.572 2.510 -1.004 . . . 1.0 . . . . . . . . . . . . A . 12 SER OG . . . . . . . . . c18964_2m3i 1 . 4 . 723 . 1 1 13 PRO C C 5.222 0.846 3.765 . . . 1.0 . . . . . . . . . . . . A . 13 PRO C . . . . . . . . . c18964_2m3i 1 . 4 . 724 . 1 1 13 PRO CA C 4.877 -0.499 3.132 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CA . . . . . . . . . c18964_2m3i 1 . 4 . 725 . 1 1 13 PRO CB C 5.863 -1.583 3.555 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CB . . . . . . . . . c18964_2m3i 1 . 4 . 726 . 1 1 13 PRO CD C 6.135 -1.253 1.186 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CD . . . . . . . . . c18964_2m3i 1 . 4 . 727 . 1 1 13 PRO CG C 6.841 -1.679 2.439 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CG . . . . . . . . . c18964_2m3i 1 . 4 . 728 . 1 1 13 PRO HA H 3.875 -0.774 3.432 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HA . . . . . . . . . c18964_2m3i 1 . 4 . 729 . 1 1 13 PRO HB2 H 6.342 -1.290 4.478 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HB2 . . . . . . . . . c18964_2m3i 1 . 4 . 730 . 1 1 13 PRO HB3 H 5.337 -2.515 3.699 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HB3 . . . . . . . . . c18964_2m3i 1 . 4 . 731 . 1 1 13 PRO HD2 H 6.788 -0.641 0.581 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HD2 . . . . . . . . . c18964_2m3i 1 . 4 . 732 . 1 1 13 PRO HD3 H 5.805 -2.115 0.626 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HD3 . . . . . . . . . c18964_2m3i 1 . 4 . 733 . 1 1 13 PRO HG2 H 7.668 -1.011 2.624 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HG2 . . . . . . . . . c18964_2m3i 1 . 4 . 734 . 1 1 13 PRO HG3 H 7.159 -2.707 2.351 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HG3 . . . . . . . . . c18964_2m3i 1 . 4 . 735 . 1 1 13 PRO N N 4.983 -0.470 1.671 . . . 1.0 . . . . . . . . . . . . A . 13 PRO N . . . . . . . . . c18964_2m3i 1 . 4 . 736 . 1 1 13 PRO O O 5.265 0.984 4.988 . . . 1.0 . . . . . . . . . . . . A . 13 PRO O . . . . . . . . . c18964_2m3i 1 . 4 . 737 . 1 1 14 ILE C C 4.423 3.724 3.973 . . . 1.0 . . . . . . . . . . . . A . 14 ILE C . . . . . . . . . c18964_2m3i 1 . 4 . 738 . 1 1 14 ILE CA C 5.705 3.193 3.342 . . . 1.0 . . . . . . . . . . . . A . 14 ILE CA . . . . . . . . . c18964_2m3i 1 . 4 . 739 . 1 1 14 ILE CB C 6.205 4.133 2.169 . . . 1.0 . . . . . . . . . . . . A . 14 ILE CB . . . . . . . . . c18964_2m3i 1 . 4 . 740 . 1 1 14 ILE CD1 C 7.603 2.425 0.784 . . . 1.0 . . . . . . . . . . . . A . 14 ILE CD1 . . . . . . . . . c18964_2m3i 1 . 4 . 741 . 1 1 14 ILE CG1 C 7.586 3.706 1.603 . . . 1.0 . . . . . . . . . . . . A . 14 ILE CG1 . . . . . . . . . c18964_2m3i 1 . 4 . 742 . 1 1 14 ILE CG2 C 6.267 5.591 2.605 . . . 1.0 . . . . . . . . . . . . A . 14 ILE CG2 . . . . . . . . . c18964_2m3i 1 . 4 . 743 . 1 1 14 ILE H H 5.490 1.588 1.967 . . . 1.0 . . . . . . . . . . . . A . 14 ILE H . . . . . . . . . c18964_2m3i 1 . 4 . 744 . 1 1 14 ILE HA H 6.440 3.140 4.118 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HA . . . . . . . . . c18964_2m3i 1 . 4 . 745 . 1 1 14 ILE HB H 5.475 4.066 1.377 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HB . . . . . . . . . c18964_2m3i 1 . 4 . 746 . 1 1 14 ILE HD11 H 6.930 2.527 -0.054 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HD11 . . . . . . . . . c18964_2m3i 1 . 4 . 747 . 1 1 14 ILE HD12 H 7.293 1.597 1.402 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HD12 . . . . . . . . . c18964_2m3i 1 . 4 . 748 . 1 1 14 ILE HD13 H 8.604 2.246 0.420 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HD13 . . . . . . . . . c18964_2m3i 1 . 4 . 749 . 1 1 14 ILE HG12 H 7.962 4.493 0.967 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HG12 . . . . . . . . . c18964_2m3i 1 . 4 . 750 . 1 1 14 ILE HG13 H 8.266 3.578 2.432 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HG13 . . . . . . . . . c18964_2m3i 1 . 4 . 751 . 1 1 14 ILE HG21 H 5.280 5.919 2.897 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HG21 . . . . . . . . . c18964_2m3i 1 . 4 . 752 . 1 1 14 ILE HG22 H 6.623 6.202 1.788 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HG22 . . . . . . . . . c18964_2m3i 1 . 4 . 753 . 1 1 14 ILE HG23 H 6.939 5.687 3.445 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HG23 . . . . . . . . . c18964_2m3i 1 . 4 . 754 . 1 1 14 ILE N N 5.468 1.829 2.916 . . . 1.0 . . . . . . . . . . . . A . 14 ILE N . . . . . . . . . c18964_2m3i 1 . 4 . 755 . 1 1 14 ILE O O 4.431 4.474 4.942 . . . 1.0 . . . . . . . . . . . . A . 14 ILE O . . . . . . . . . c18964_2m3i 1 . 4 . 756 . 1 1 15 CYS C C 1.354 2.291 4.389 . . . 1.0 . . . . . . . . . . . . A . 15 CYS C . . . . . . . . . c18964_2m3i 1 . 4 . 757 . 1 1 15 CYS CA C 2.043 3.572 3.950 . . . 1.0 . . . . . . . . . . . . A . 15 CYS CA . . . . . . . . . c18964_2m3i 1 . 4 . 758 . 1 1 15 CYS CB C 1.211 4.303 2.895 . . . 1.0 . . . . . . . . . . . . A . 15 CYS CB . . . . . . . . . c18964_2m3i 1 . 4 . 759 . 1 1 15 CYS H H 3.495 2.633 2.708 . . . 1.0 . . . . . . . . . . . . A . 15 CYS H . . . . . . . . . c18964_2m3i 1 . 4 . 760 . 1 1 15 CYS HA H 2.168 4.209 4.812 . . . 1.0 . . . . . . . . . . . . A . 15 CYS HA . . . . . . . . . c18964_2m3i 1 . 4 . 761 . 1 1 15 CYS HB2 H 1.704 5.227 2.638 . . . 1.0 . . . . . . . . . . . . A . 15 CYS HB2 . . . . . . . . . c18964_2m3i 1 . 4 . 762 . 1 1 15 CYS HB3 H 1.138 3.679 2.017 . . . 1.0 . . . . . . . . . . . . A . 15 CYS HB3 . . . . . . . . . c18964_2m3i 1 . 4 . 763 . 1 1 15 CYS N N 3.354 3.252 3.454 . . . 1.0 . . . . . . . . . . . . A . 15 CYS N . . . . . . . . . c18964_2m3i 1 . 4 . 764 . 1 1 15 CYS O O 0.726 1.601 3.587 . . . 1.0 . . . . . . . . . . . . A . 15 CYS O . . . . . . . . . c18964_2m3i 1 . 4 . 765 . 1 1 15 CYS SG S -0.486 4.720 3.434 . . . 1.0 . . . . . . . . . . . . A . 15 CYS SG . . . . . . . . . c18964_2m3i 1 . 4 . 766 . 1 1 16 NH2 HN1 H 2.021 2.553 6.227 . . . 1.0 . . . . . . . . . . . . A . 16 NH2 HN1 . . . . . . . . . c18964_2m3i 1 . 4 . 767 . 1 1 16 NH2 HN2 H 1.099 1.112 5.950 . . . 1.0 . . . . . . . . . . . . A . 16 NH2 HN2 . . . . . . . . . c18964_2m3i 1 . 4 . 768 . 1 1 16 NH2 N N 1.507 1.951 5.649 . . . 1.0 . . . . . . . . . . . . A . 16 NH2 N . . . . . . . . . c18964_2m3i 1 . 5 . 769 . 1 1 1 GLY C C -4.446 5.082 -2.963 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c18964_2m3i 1 . 5 . 770 . 1 1 1 GLY CA C -4.609 6.578 -2.973 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c18964_2m3i 1 . 5 . 771 . 1 1 1 GLY H1 H -5.484 8.054 -1.805 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c18964_2m3i 1 . 5 . 772 . 1 1 1 GLY H2 H -4.902 6.728 -0.937 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H2 . . . . . . . . . c18964_2m3i 1 . 5 . 773 . 1 1 1 GLY H3 H -6.325 6.584 -1.835 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H3 . . . . . . . . . c18964_2m3i 1 . 5 . 774 . 1 1 1 GLY HA2 H -5.134 6.860 -3.873 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c18964_2m3i 1 . 5 . 775 . 1 1 1 GLY HA3 H -3.640 7.052 -2.966 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c18964_2m3i 1 . 5 . 776 . 1 1 1 GLY N N -5.383 7.021 -1.815 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c18964_2m3i 1 . 5 . 777 . 1 1 1 GLY O O -5.238 4.383 -2.328 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c18964_2m3i 1 . 5 . 778 . 1 1 2 CYS C C -2.804 2.632 -2.324 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . c18964_2m3i 1 . 5 . 779 . 1 1 2 CYS CA C -3.174 3.149 -3.714 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . c18964_2m3i 1 . 5 . 780 . 1 1 2 CYS CB C -2.005 2.890 -4.687 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . c18964_2m3i 1 . 5 . 781 . 1 1 2 CYS H H -2.781 5.200 -4.049 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . c18964_2m3i 1 . 5 . 782 . 1 1 2 CYS HA H -4.066 2.658 -4.074 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . c18964_2m3i 1 . 5 . 783 . 1 1 2 CYS HB2 H -1.997 3.661 -5.443 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . c18964_2m3i 1 . 5 . 784 . 1 1 2 CYS HB3 H -1.099 2.964 -4.102 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . c18964_2m3i 1 . 5 . 785 . 1 1 2 CYS N N -3.414 4.586 -3.618 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . c18964_2m3i 1 . 5 . 786 . 1 1 2 CYS O O -3.396 1.687 -1.817 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . c18964_2m3i 1 . 5 . 787 . 1 1 2 CYS SG S -1.968 1.259 -5.569 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . c18964_2m3i 1 . 5 . 788 . 1 1 3 CYS C C -2.293 3.134 0.755 . . . 1.0 . . . . . . . . . . . . A . 3 CYS C . . . . . . . . . c18964_2m3i 1 . 5 . 789 . 1 1 3 CYS CA C -1.317 2.921 -0.386 . . . 1.0 . . . . . . . . . . . . A . 3 CYS CA . . . . . . . . . c18964_2m3i 1 . 5 . 790 . 1 1 3 CYS CB C -0.053 3.677 -0.121 . . . 1.0 . . . . . . . . . . . . A . 3 CYS CB . . . . . . . . . c18964_2m3i 1 . 5 . 791 . 1 1 3 CYS H H -1.503 4.137 -2.077 . . . 1.0 . . . . . . . . . . . . A . 3 CYS H . . . . . . . . . c18964_2m3i 1 . 5 . 792 . 1 1 3 CYS HA H -1.073 1.874 -0.456 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HA . . . . . . . . . c18964_2m3i 1 . 5 . 793 . 1 1 3 CYS HB2 H -0.272 4.734 -0.096 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HB2 . . . . . . . . . c18964_2m3i 1 . 5 . 794 . 1 1 3 CYS HB3 H 0.305 3.369 0.847 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HB3 . . . . . . . . . c18964_2m3i 1 . 5 . 795 . 1 1 3 CYS N N -1.865 3.315 -1.682 . . . 1.0 . . . . . . . . . . . . A . 3 CYS N . . . . . . . . . c18964_2m3i 1 . 5 . 796 . 1 1 3 CYS O O -1.999 2.834 1.918 . . . 1.0 . . . . . . . . . . . . A . 3 CYS O . . . . . . . . . c18964_2m3i 1 . 5 . 797 . 1 1 3 CYS SG S 1.247 3.395 -1.354 . . . 1.0 . . . . . . . . . . . . A . 3 CYS SG . . . . . . . . . c18964_2m3i 1 . 5 . 798 . 1 1 4 SER C C -5.382 2.568 1.351 . . . 1.0 . . . . . . . . . . . . A . 4 SER C . . . . . . . . . c18964_2m3i 1 . 5 . 799 . 1 1 4 SER CA C -4.505 3.833 1.351 . . . 1.0 . . . . . . . . . . . . A . 4 SER CA . . . . . . . . . c18964_2m3i 1 . 5 . 800 . 1 1 4 SER CB C -5.330 5.032 0.912 . . . 1.0 . . . . . . . . . . . . A . 4 SER CB . . . . . . . . . c18964_2m3i 1 . 5 . 801 . 1 1 4 SER H H -3.493 3.960 -0.504 . . . 1.0 . . . . . . . . . . . . A . 4 SER H . . . . . . . . . c18964_2m3i 1 . 5 . 802 . 1 1 4 SER HA H -4.106 4.012 2.339 . . . 1.0 . . . . . . . . . . . . A . 4 SER HA . . . . . . . . . c18964_2m3i 1 . 5 . 803 . 1 1 4 SER HB2 H -5.852 4.788 -0.001 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB2 . . . . . . . . . c18964_2m3i 1 . 5 . 804 . 1 1 4 SER HB3 H -6.041 5.281 1.683 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB3 . . . . . . . . . c18964_2m3i 1 . 5 . 805 . 1 1 4 SER HG H -4.027 6.324 1.508 . . . 1.0 . . . . . . . . . . . . A . 4 SER HG . . . . . . . . . c18964_2m3i 1 . 5 . 806 . 1 1 4 SER N N -3.419 3.655 0.424 . . . 1.0 . . . . . . . . . . . . A . 4 SER N . . . . . . . . . c18964_2m3i 1 . 5 . 807 . 1 1 4 SER O O -6.418 2.506 2.027 . . . 1.0 . . . . . . . . . . . . A . 4 SER O . . . . . . . . . c18964_2m3i 1 . 5 . 808 . 1 1 4 SER OG O -4.490 6.161 0.674 . . . 1.0 . . . . . . . . . . . . A . 4 SER OG . . . . . . . . . c18964_2m3i 1 . 5 . 809 . 1 1 5 HIS C C -4.708 -0.822 0.518 . . . 1.0 . . . . . . . . . . . . A . 5 HIS C . . . . . . . . . c18964_2m3i 1 . 5 . 810 . 1 1 5 HIS CA C -5.699 0.344 0.475 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CA . . . . . . . . . c18964_2m3i 1 . 5 . 811 . 1 1 5 HIS CB C -6.519 0.349 -0.838 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CB . . . . . . . . . c18964_2m3i 1 . 5 . 812 . 1 1 5 HIS CD2 C -7.522 -1.977 -1.436 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CD2 . . . . . . . . . c18964_2m3i 1 . 5 . 813 . 1 1 5 HIS CE1 C -9.543 -1.679 -0.713 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CE1 . . . . . . . . . c18964_2m3i 1 . 5 . 814 . 1 1 5 HIS CG C -7.575 -0.724 -0.927 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CG . . . . . . . . . c18964_2m3i 1 . 5 . 815 . 1 1 5 HIS H H -4.106 1.630 0.114 . . . 1.0 . . . . . . . . . . . . A . 5 HIS H . . . . . . . . . c18964_2m3i 1 . 5 . 816 . 1 1 5 HIS HA H -6.365 0.275 1.319 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HA . . . . . . . . . c18964_2m3i 1 . 5 . 817 . 1 1 5 HIS HB2 H -7.015 1.302 -0.936 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB2 . . . . . . . . . c18964_2m3i 1 . 5 . 818 . 1 1 5 HIS HB3 H -5.842 0.221 -1.670 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB3 . . . . . . . . . c18964_2m3i 1 . 5 . 819 . 1 1 5 HIS HD1 H -9.225 0.248 -0.042 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD1 . . . . . . . . . c18964_2m3i 1 . 5 . 820 . 1 1 5 HIS HD2 H -6.662 -2.449 -1.885 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD2 . . . . . . . . . c18964_2m3i 1 . 5 . 821 . 1 1 5 HIS HE1 H -10.585 -1.827 -0.465 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HE1 . . . . . . . . . c18964_2m3i 1 . 5 . 822 . 1 1 5 HIS N N -4.961 1.568 0.597 . . . 1.0 . . . . . . . . . . . . A . 5 HIS N . . . . . . . . . c18964_2m3i 1 . 5 . 823 . 1 1 5 HIS ND1 N -8.865 -0.557 -0.475 . . . 1.0 . . . . . . . . . . . . A . 5 HIS ND1 . . . . . . . . . c18964_2m3i 1 . 5 . 824 . 1 1 5 HIS NE2 N -8.767 -2.580 -1.300 . . . 1.0 . . . . . . . . . . . . A . 5 HIS NE2 . . . . . . . . . c18964_2m3i 1 . 5 . 825 . 1 1 5 HIS O O -3.707 -0.802 -0.217 . . . 1.0 . . . . . . . . . . . . A . 5 HIS O . . . . . . . . . c18964_2m3i 1 . 5 . 826 . 1 1 6 PRO C C -3.228 -3.487 0.528 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . c18964_2m3i 1 . 5 . 827 . 1 1 6 PRO CA C -4.134 -3.023 1.672 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . c18964_2m3i 1 . 5 . 828 . 1 1 6 PRO CB C -5.181 -4.079 1.963 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . c18964_2m3i 1 . 5 . 829 . 1 1 6 PRO CD C -6.205 -1.906 2.227 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . c18964_2m3i 1 . 5 . 830 . 1 1 6 PRO CG C -6.249 -3.344 2.702 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . c18964_2m3i 1 . 5 . 831 . 1 1 6 PRO HA H -3.541 -2.883 2.564 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . c18964_2m3i 1 . 5 . 832 . 1 1 6 PRO HB2 H -5.545 -4.486 1.031 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB2 . . . . . . . . . c18964_2m3i 1 . 5 . 833 . 1 1 6 PRO HB3 H -4.753 -4.866 2.564 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . c18964_2m3i 1 . 5 . 834 . 1 1 6 PRO HD2 H -7.082 -1.685 1.634 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD2 . . . . . . . . . c18964_2m3i 1 . 5 . 835 . 1 1 6 PRO HD3 H -6.137 -1.231 3.068 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . c18964_2m3i 1 . 5 . 836 . 1 1 6 PRO HG2 H -7.213 -3.781 2.487 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG2 . . . . . . . . . c18964_2m3i 1 . 5 . 837 . 1 1 6 PRO HG3 H -6.054 -3.391 3.763 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . c18964_2m3i 1 . 5 . 838 . 1 1 6 PRO N N -4.985 -1.837 1.394 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . c18964_2m3i 1 . 5 . 839 . 1 1 6 PRO O O -2.018 -3.680 0.723 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . c18964_2m3i 1 . 5 . 840 . 1 1 7 VAL C C -1.836 -3.297 -2.179 . . . 1.0 . . . . . . . . . . . . A . 7 VAL C . . . . . . . . . c18964_2m3i 1 . 5 . 841 . 1 1 7 VAL CA C -3.112 -4.101 -1.847 . . . 1.0 . . . . . . . . . . . . A . 7 VAL CA . . . . . . . . . c18964_2m3i 1 . 5 . 842 . 1 1 7 VAL CB C -4.052 -4.173 -3.089 . . . 1.0 . . . . . . . . . . . . A . 7 VAL CB . . . . . . . . . c18964_2m3i 1 . 5 . 843 . 1 1 7 VAL CG1 C -5.234 -5.095 -2.823 . . . 1.0 . . . . . . . . . . . . A . 7 VAL CG1 . . . . . . . . . c18964_2m3i 1 . 5 . 844 . 1 1 7 VAL CG2 C -4.533 -2.791 -3.523 . . . 1.0 . . . . . . . . . . . . A . 7 VAL CG2 . . . . . . . . . c18964_2m3i 1 . 5 . 845 . 1 1 7 VAL H H -4.750 -3.355 -0.730 . . . 1.0 . . . . . . . . . . . . A . 7 VAL H . . . . . . . . . c18964_2m3i 1 . 5 . 846 . 1 1 7 VAL HA H -2.802 -5.108 -1.610 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HA . . . . . . . . . c18964_2m3i 1 . 5 . 847 . 1 1 7 VAL HB H -3.477 -4.603 -3.895 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HB . . . . . . . . . c18964_2m3i 1 . 5 . 848 . 1 1 7 VAL HG11 H -5.872 -5.123 -3.693 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG11 . . . . . . . . . c18964_2m3i 1 . 5 . 849 . 1 1 7 VAL HG12 H -5.794 -4.726 -1.977 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG12 . . . . . . . . . c18964_2m3i 1 . 5 . 850 . 1 1 7 VAL HG13 H -4.875 -6.090 -2.608 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG13 . . . . . . . . . c18964_2m3i 1 . 5 . 851 . 1 1 7 VAL HG21 H -5.279 -2.885 -4.298 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG21 . . . . . . . . . c18964_2m3i 1 . 5 . 852 . 1 1 7 VAL HG22 H -3.689 -2.242 -3.915 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG22 . . . . . . . . . c18964_2m3i 1 . 5 . 853 . 1 1 7 VAL HG23 H -4.934 -2.253 -2.678 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG23 . . . . . . . . . c18964_2m3i 1 . 5 . 854 . 1 1 7 VAL N N -3.809 -3.611 -0.662 . . . 1.0 . . . . . . . . . . . . A . 7 VAL N . . . . . . . . . c18964_2m3i 1 . 5 . 855 . 1 1 7 VAL O O -0.863 -3.850 -2.680 . . . 1.0 . . . . . . . . . . . . A . 7 VAL O . . . . . . . . . c18964_2m3i 1 . 5 . 856 . 1 1 8 CYS C C 0.051 -0.881 -0.865 . . . 1.0 . . . . . . . . . . . . A . 8 CYS C . . . . . . . . . c18964_2m3i 1 . 5 . 857 . 1 1 8 CYS CA C -0.652 -1.227 -2.168 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CA . . . . . . . . . c18964_2m3i 1 . 5 . 858 . 1 1 8 CYS CB C -1.023 0.037 -2.910 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CB . . . . . . . . . c18964_2m3i 1 . 5 . 859 . 1 1 8 CYS H H -2.619 -1.595 -1.486 . . . 1.0 . . . . . . . . . . . . A . 8 CYS H . . . . . . . . . c18964_2m3i 1 . 5 . 860 . 1 1 8 CYS HA H 0.006 -1.823 -2.782 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HA . . . . . . . . . c18964_2m3i 1 . 5 . 861 . 1 1 8 CYS HB2 H -1.426 0.746 -2.202 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB2 . . . . . . . . . c18964_2m3i 1 . 5 . 862 . 1 1 8 CYS HB3 H -0.145 0.459 -3.376 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB3 . . . . . . . . . c18964_2m3i 1 . 5 . 863 . 1 1 8 CYS N N -1.827 -2.019 -1.888 . . . 1.0 . . . . . . . . . . . . A . 8 CYS N . . . . . . . . . c18964_2m3i 1 . 5 . 864 . 1 1 8 CYS O O 1.253 -0.597 -0.852 . . . 1.0 . . . . . . . . . . . . A . 8 CYS O . . . . . . . . . c18964_2m3i 1 . 5 . 865 . 1 1 8 CYS SG S -2.282 -0.210 -4.208 . . . 1.0 . . . . . . . . . . . . A . 8 CYS SG . . . . . . . . . c18964_2m3i 1 . 5 . 866 . 1 1 9 SER C C 0.907 -1.699 1.913 . . . 1.0 . . . . . . . . . . . . A . 9 SER C . . . . . . . . . c18964_2m3i 1 . 5 . 867 . 1 1 9 SER CA C -0.153 -0.658 1.550 . . . 1.0 . . . . . . . . . . . . A . 9 SER CA . . . . . . . . . c18964_2m3i 1 . 5 . 868 . 1 1 9 SER CB C -1.266 -0.666 2.590 . . . 1.0 . . . . . . . . . . . . A . 9 SER CB . . . . . . . . . c18964_2m3i 1 . 5 . 869 . 1 1 9 SER H H -1.659 -1.119 0.192 . . . 1.0 . . . . . . . . . . . . A . 9 SER H . . . . . . . . . c18964_2m3i 1 . 5 . 870 . 1 1 9 SER HA H 0.271 0.331 1.497 . . . 1.0 . . . . . . . . . . . . A . 9 SER HA . . . . . . . . . c18964_2m3i 1 . 5 . 871 . 1 1 9 SER HB2 H -1.650 -1.670 2.695 . . . 1.0 . . . . . . . . . . . . A . 9 SER HB2 . . . . . . . . . c18964_2m3i 1 . 5 . 872 . 1 1 9 SER HB3 H -0.879 -0.324 3.539 . . . 1.0 . . . . . . . . . . . . A . 9 SER HB3 . . . . . . . . . c18964_2m3i 1 . 5 . 873 . 1 1 9 SER HG H -2.092 1.107 2.379 . . . 1.0 . . . . . . . . . . . . A . 9 SER HG . . . . . . . . . c18964_2m3i 1 . 5 . 874 . 1 1 9 SER N N -0.698 -0.929 0.239 . . . 1.0 . . . . . . . . . . . . A . 9 SER N . . . . . . . . . c18964_2m3i 1 . 5 . 875 . 1 1 9 SER O O 1.932 -1.379 2.502 . . . 1.0 . . . . . . . . . . . . A . 9 SER O . . . . . . . . . c18964_2m3i 1 . 5 . 876 . 1 1 9 SER OG O -2.320 0.187 2.192 . . . 1.0 . . . . . . . . . . . . A . 9 SER OG . . . . . . . . . c18964_2m3i 1 . 5 . 877 . 1 1 10 ALA C C 2.646 -4.067 0.711 . . . 1.0 . . . . . . . . . . . . A . 10 ALA C . . . . . . . . . c18964_2m3i 1 . 5 . 878 . 1 1 10 ALA CA C 1.595 -4.020 1.810 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CA . . . . . . . . . c18964_2m3i 1 . 5 . 879 . 1 1 10 ALA CB C 0.870 -5.349 1.930 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CB . . . . . . . . . c18964_2m3i 1 . 5 . 880 . 1 1 10 ALA H H -0.210 -3.152 1.123 . . . 1.0 . . . . . . . . . . . . A . 10 ALA H . . . . . . . . . c18964_2m3i 1 . 5 . 881 . 1 1 10 ALA HA H 2.096 -3.809 2.745 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HA . . . . . . . . . c18964_2m3i 1 . 5 . 882 . 1 1 10 ALA HB1 H 1.581 -6.132 2.149 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB1 . . . . . . . . . c18964_2m3i 1 . 5 . 883 . 1 1 10 ALA HB2 H 0.364 -5.567 1.002 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB2 . . . . . . . . . c18964_2m3i 1 . 5 . 884 . 1 1 10 ALA HB3 H 0.145 -5.288 2.728 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB3 . . . . . . . . . c18964_2m3i 1 . 5 . 885 . 1 1 10 ALA N N 0.650 -2.946 1.554 . . . 1.0 . . . . . . . . . . . . A . 10 ALA N . . . . . . . . . c18964_2m3i 1 . 5 . 886 . 1 1 10 ALA O O 3.724 -4.611 0.891 . . . 1.0 . . . . . . . . . . . . A . 10 ALA O . . . . . . . . . c18964_2m3i 1 . 5 . 887 . 1 1 11 MET C C 4.403 -2.521 -1.186 . . . 1.0 . . . . . . . . . . . . A . 11 MET C . . . . . . . . . c18964_2m3i 1 . 5 . 888 . 1 1 11 MET CA C 3.229 -3.388 -1.563 . . . 1.0 . . . . . . . . . . . . A . 11 MET CA . . . . . . . . . c18964_2m3i 1 . 5 . 889 . 1 1 11 MET CB C 2.514 -2.814 -2.787 . . . 1.0 . . . . . . . . . . . . A . 11 MET CB . . . . . . . . . c18964_2m3i 1 . 5 . 890 . 1 1 11 MET CE C 1.274 -3.005 -5.772 . . . 1.0 . . . . . . . . . . . . A . 11 MET CE . . . . . . . . . c18964_2m3i 1 . 5 . 891 . 1 1 11 MET CG C 3.399 -2.621 -4.008 . . . 1.0 . . . . . . . . . . . . A . 11 MET CG . . . . . . . . . c18964_2m3i 1 . 5 . 892 . 1 1 11 MET H H 1.408 -3.112 -0.498 . . . 1.0 . . . . . . . . . . . . A . 11 MET H . . . . . . . . . c18964_2m3i 1 . 5 . 893 . 1 1 11 MET HA H 3.602 -4.369 -1.785 . . . 1.0 . . . . . . . . . . . . A . 11 MET HA . . . . . . . . . c18964_2m3i 1 . 5 . 894 . 1 1 11 MET HB2 H 1.704 -3.476 -3.059 . . . 1.0 . . . . . . . . . . . . A . 11 MET HB2 . . . . . . . . . c18964_2m3i 1 . 5 . 895 . 1 1 11 MET HB3 H 2.102 -1.854 -2.514 . . . 1.0 . . . . . . . . . . . . A . 11 MET HB3 . . . . . . . . . c18964_2m3i 1 . 5 . 896 . 1 1 11 MET HE1 H 0.691 -2.651 -6.609 . . . 1.0 . . . . . . . . . . . . A . 11 MET HE1 . . . . . . . . . c18964_2m3i 1 . 5 . 897 . 1 1 11 MET HE2 H 0.623 -3.149 -4.921 . . . 1.0 . . . . . . . . . . . . A . 11 MET HE2 . . . . . . . . . c18964_2m3i 1 . 5 . 898 . 1 1 11 MET HE3 H 1.743 -3.943 -6.031 . . . 1.0 . . . . . . . . . . . . A . 11 MET HE3 . . . . . . . . . c18964_2m3i 1 . 5 . 899 . 1 1 11 MET HG2 H 4.251 -2.023 -3.721 . . . 1.0 . . . . . . . . . . . . A . 11 MET HG2 . . . . . . . . . c18964_2m3i 1 . 5 . 900 . 1 1 11 MET HG3 H 3.740 -3.586 -4.349 . . . 1.0 . . . . . . . . . . . . A . 11 MET HG3 . . . . . . . . . c18964_2m3i 1 . 5 . 901 . 1 1 11 MET N N 2.310 -3.483 -0.429 . . . 1.0 . . . . . . . . . . . . A . 11 MET N . . . . . . . . . c18964_2m3i 1 . 5 . 902 . 1 1 11 MET O O 5.564 -2.860 -1.415 . . . 1.0 . . . . . . . . . . . . A . 11 MET O . . . . . . . . . c18964_2m3i 1 . 5 . 903 . 1 1 11 MET SD S 2.537 -1.791 -5.368 . . . 1.0 . . . . . . . . . . . . A . 11 MET SD . . . . . . . . . c18964_2m3i 1 . 5 . 904 . 1 1 12 SER C C 4.603 -0.035 1.241 . . . 1.0 . . . . . . . . . . . . A . 12 SER C . . . . . . . . . c18964_2m3i 1 . 5 . 905 . 1 1 12 SER CA C 5.050 -0.514 -0.130 . . . 1.0 . . . . . . . . . . . . A . 12 SER CA . . . . . . . . . c18964_2m3i 1 . 5 . 906 . 1 1 12 SER CB C 5.193 0.658 -1.082 . . . 1.0 . . . . . . . . . . . . A . 12 SER CB . . . . . . . . . c18964_2m3i 1 . 5 . 907 . 1 1 12 SER H H 3.131 -1.210 -0.566 . . . 1.0 . . . . . . . . . . . . A . 12 SER H . . . . . . . . . c18964_2m3i 1 . 5 . 908 . 1 1 12 SER HA H 5.995 -1.031 -0.058 . . . 1.0 . . . . . . . . . . . . A . 12 SER HA . . . . . . . . . c18964_2m3i 1 . 5 . 909 . 1 1 12 SER HB2 H 5.280 0.265 -2.081 . . . 1.0 . . . . . . . . . . . . A . 12 SER HB2 . . . . . . . . . c18964_2m3i 1 . 5 . 910 . 1 1 12 SER HB3 H 4.288 1.242 -1.008 . . . 1.0 . . . . . . . . . . . . A . 12 SER HB3 . . . . . . . . . c18964_2m3i 1 . 5 . 911 . 1 1 12 SER HG H 7.105 0.968 -0.863 . . . 1.0 . . . . . . . . . . . . A . 12 SER HG . . . . . . . . . c18964_2m3i 1 . 5 . 912 . 1 1 12 SER N N 4.086 -1.418 -0.626 . . . 1.0 . . . . . . . . . . . . A . 12 SER N . . . . . . . . . c18964_2m3i 1 . 5 . 913 . 1 1 12 SER O O 3.768 0.869 1.349 . . . 1.0 . . . . . . . . . . . . A . 12 SER O . . . . . . . . . c18964_2m3i 1 . 5 . 914 . 1 1 12 SER OG O 6.299 1.485 -0.738 . . . 1.0 . . . . . . . . . . . . A . 12 SER OG . . . . . . . . . c18964_2m3i 1 . 5 . 915 . 1 1 13 PRO C C 5.381 1.060 4.109 . . . 1.0 . . . . . . . . . . . . A . 13 PRO C . . . . . . . . . c18964_2m3i 1 . 5 . 916 . 1 1 13 PRO CA C 4.758 -0.266 3.689 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CA . . . . . . . . . c18964_2m3i 1 . 5 . 917 . 1 1 13 PRO CB C 5.295 -1.406 4.539 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CB . . . . . . . . . c18964_2m3i 1 . 5 . 918 . 1 1 13 PRO CD C 6.075 -1.772 2.296 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CD . . . . . . . . . c18964_2m3i 1 . 5 . 919 . 1 1 13 PRO CG C 6.402 -1.999 3.747 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CG . . . . . . . . . c18964_2m3i 1 . 5 . 920 . 1 1 13 PRO HA H 3.685 -0.201 3.793 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HA . . . . . . . . . c18964_2m3i 1 . 5 . 921 . 1 1 13 PRO HB2 H 5.645 -1.018 5.483 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HB2 . . . . . . . . . c18964_2m3i 1 . 5 . 922 . 1 1 13 PRO HB3 H 4.506 -2.123 4.707 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HB3 . . . . . . . . . c18964_2m3i 1 . 5 . 923 . 1 1 13 PRO HD2 H 6.972 -1.510 1.756 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HD2 . . . . . . . . . c18964_2m3i 1 . 5 . 924 . 1 1 13 PRO HD3 H 5.620 -2.653 1.867 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HD3 . . . . . . . . . c18964_2m3i 1 . 5 . 925 . 1 1 13 PRO HG2 H 7.334 -1.518 4.002 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HG2 . . . . . . . . . c18964_2m3i 1 . 5 . 926 . 1 1 13 PRO HG3 H 6.453 -3.058 3.955 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HG3 . . . . . . . . . c18964_2m3i 1 . 5 . 927 . 1 1 13 PRO N N 5.124 -0.643 2.320 . . . 1.0 . . . . . . . . . . . . A . 13 PRO N . . . . . . . . . c18964_2m3i 1 . 5 . 928 . 1 1 13 PRO O O 5.168 1.548 5.215 . . . 1.0 . . . . . . . . . . . . A . 13 PRO O . . . . . . . . . c18964_2m3i 1 . 5 . 929 . 1 1 14 ILE C C 5.755 3.980 3.051 . . . 1.0 . . . . . . . . . . . . A . 14 ILE C . . . . . . . . . c18964_2m3i 1 . 5 . 930 . 1 1 14 ILE CA C 6.760 2.922 3.458 . . . 1.0 . . . . . . . . . . . . A . 14 ILE CA . . . . . . . . . c18964_2m3i 1 . 5 . 931 . 1 1 14 ILE CB C 8.073 3.090 2.643 . . . 1.0 . . . . . . . . . . . . A . 14 ILE CB . . . . . . . . . c18964_2m3i 1 . 5 . 932 . 1 1 14 ILE CD1 C 9.490 1.846 4.402 . . . 1.0 . . . . . . . . . . . . A . 14 ILE CD1 . . . . . . . . . c18964_2m3i 1 . 5 . 933 . 1 1 14 ILE CG1 C 9.064 1.947 2.949 . . . 1.0 . . . . . . . . . . . . A . 14 ILE CG1 . . . . . . . . . c18964_2m3i 1 . 5 . 934 . 1 1 14 ILE CG2 C 8.720 4.450 2.907 . . . 1.0 . . . . . . . . . . . . A . 14 ILE CG2 . . . . . . . . . c18964_2m3i 1 . 5 . 935 . 1 1 14 ILE H H 6.333 1.158 2.383 . . . 1.0 . . . . . . . . . . . . A . 14 ILE H . . . . . . . . . c18964_2m3i 1 . 5 . 936 . 1 1 14 ILE HA H 6.962 2.976 4.507 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HA . . . . . . . . . c18964_2m3i 1 . 5 . 937 . 1 1 14 ILE HB H 7.813 3.049 1.595 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HB . . . . . . . . . c18964_2m3i 1 . 5 . 938 . 1 1 14 ILE HD11 H 10.202 1.042 4.510 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HD11 . . . . . . . . . c18964_2m3i 1 . 5 . 939 . 1 1 14 ILE HD12 H 8.628 1.648 5.020 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HD12 . . . . . . . . . c18964_2m3i 1 . 5 . 940 . 1 1 14 ILE HD13 H 9.948 2.776 4.704 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HD13 . . . . . . . . . c18964_2m3i 1 . 5 . 941 . 1 1 14 ILE HG12 H 8.605 1.005 2.683 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HG12 . . . . . . . . . c18964_2m3i 1 . 5 . 942 . 1 1 14 ILE HG13 H 9.951 2.085 2.350 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HG13 . . . . . . . . . c18964_2m3i 1 . 5 . 943 . 1 1 14 ILE HG21 H 8.978 4.527 3.953 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HG21 . . . . . . . . . c18964_2m3i 1 . 5 . 944 . 1 1 14 ILE HG22 H 8.023 5.235 2.654 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HG22 . . . . . . . . . c18964_2m3i 1 . 5 . 945 . 1 1 14 ILE HG23 H 9.612 4.553 2.305 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HG23 . . . . . . . . . c18964_2m3i 1 . 5 . 946 . 1 1 14 ILE N N 6.160 1.633 3.221 . . . 1.0 . . . . . . . . . . . . A . 14 ILE N . . . . . . . . . c18964_2m3i 1 . 5 . 947 . 1 1 14 ILE O O 5.663 5.073 3.616 . . . 1.0 . . . . . . . . . . . . A . 14 ILE O . . . . . . . . . c18964_2m3i 1 . 5 . 948 . 1 1 15 CYS C C 2.651 4.224 2.265 . . . 1.0 . . . . . . . . . . . . A . 15 CYS C . . . . . . . . . c18964_2m3i 1 . 5 . 949 . 1 1 15 CYS CA C 3.966 4.378 1.509 . . . 1.0 . . . . . . . . . . . . A . 15 CYS CA . . . . . . . . . c18964_2m3i 1 . 5 . 950 . 1 1 15 CYS CB C 3.839 3.961 0.043 . . . 1.0 . . . . . . . . . . . . A . 15 CYS CB . . . . . . . . . c18964_2m3i 1 . 5 . 951 . 1 1 15 CYS H H 5.092 2.640 1.885 . . . 1.0 . . . . . . . . . . . . A . 15 CYS H . . . . . . . . . c18964_2m3i 1 . 5 . 952 . 1 1 15 CYS HA H 4.275 5.412 1.556 . . . 1.0 . . . . . . . . . . . . A . 15 CYS HA . . . . . . . . . c18964_2m3i 1 . 5 . 953 . 1 1 15 CYS HB2 H 4.790 4.104 -0.449 . . . 1.0 . . . . . . . . . . . . A . 15 CYS HB2 . . . . . . . . . c18964_2m3i 1 . 5 . 954 . 1 1 15 CYS HB3 H 3.592 2.911 0.018 . . . 1.0 . . . . . . . . . . . . A . 15 CYS HB3 . . . . . . . . . c18964_2m3i 1 . 5 . 955 . 1 1 15 CYS N N 4.973 3.579 2.130 . . . 1.0 . . . . . . . . . . . . A . 15 CYS N . . . . . . . . . c18964_2m3i 1 . 5 . 956 . 1 1 15 CYS O O 2.082 5.204 2.748 . . . 1.0 . . . . . . . . . . . . A . 15 CYS O . . . . . . . . . c18964_2m3i 1 . 5 . 957 . 1 1 15 CYS SG S 2.592 4.845 -0.934 . . . 1.0 . . . . . . . . . . . . A . 15 CYS SG . . . . . . . . . c18964_2m3i 1 . 5 . 958 . 1 1 16 NH2 HN1 H 2.651 2.261 1.967 . . . 1.0 . . . . . . . . . . . . A . 16 NH2 HN1 . . . . . . . . . c18964_2m3i 1 . 5 . 959 . 1 1 16 NH2 HN2 H 1.317 2.899 2.866 . . . 1.0 . . . . . . . . . . . . A . 16 NH2 HN2 . . . . . . . . . c18964_2m3i 1 . 5 . 960 . 1 1 16 NH2 N N 2.158 3.007 2.373 . . . 1.0 . . . . . . . . . . . . A . 16 NH2 N . . . . . . . . . c18964_2m3i 1 . 6 . 961 . 1 1 1 GLY C C -1.627 5.341 -5.806 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c18964_2m3i 1 . 6 . 962 . 1 1 1 GLY CA C -0.514 5.570 -6.796 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c18964_2m3i 1 . 6 . 963 . 1 1 1 GLY H1 H 1.028 5.477 -5.401 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c18964_2m3i 1 . 6 . 964 . 1 1 1 GLY H2 H 0.453 7.027 -5.692 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H2 . . . . . . . . . c18964_2m3i 1 . 6 . 965 . 1 1 1 GLY H3 H 1.443 6.275 -6.827 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H3 . . . . . . . . . c18964_2m3i 1 . 6 . 966 . 1 1 1 GLY HA2 H -0.854 6.264 -7.548 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c18964_2m3i 1 . 6 . 967 . 1 1 1 GLY HA3 H -0.258 4.632 -7.267 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c18964_2m3i 1 . 6 . 968 . 1 1 1 GLY N N 0.678 6.117 -6.140 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c18964_2m3i 1 . 6 . 969 . 1 1 1 GLY O O -2.669 5.993 -5.862 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c18964_2m3i 1 . 6 . 970 . 1 1 2 CYS C C -1.443 4.055 -2.650 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . c18964_2m3i 1 . 6 . 971 . 1 1 2 CYS CA C -2.269 4.083 -3.911 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . c18964_2m3i 1 . 6 . 972 . 1 1 2 CYS CB C -2.802 2.702 -4.243 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . c18964_2m3i 1 . 6 . 973 . 1 1 2 CYS H H -0.637 3.848 -4.771 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . c18964_2m3i 1 . 6 . 974 . 1 1 2 CYS HA H -3.089 4.781 -3.846 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . c18964_2m3i 1 . 6 . 975 . 1 1 2 CYS HB2 H -3.206 2.275 -3.340 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . c18964_2m3i 1 . 6 . 976 . 1 1 2 CYS HB3 H -3.549 2.786 -5.016 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . c18964_2m3i 1 . 6 . 977 . 1 1 2 CYS N N -1.408 4.428 -4.904 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . c18964_2m3i 1 . 6 . 978 . 1 1 2 CYS O O -0.219 4.236 -2.693 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . c18964_2m3i 1 . 6 . 979 . 1 1 2 CYS SG S -1.513 1.537 -4.823 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . c18964_2m3i 1 . 6 . 980 . 1 1 3 CYS C C -2.356 3.119 0.730 . . . 1.0 . . . . . . . . . . . . A . 3 CYS C . . . . . . . . . c18964_2m3i 1 . 6 . 981 . 1 1 3 CYS CA C -1.439 3.769 -0.303 . . . 1.0 . . . . . . . . . . . . A . 3 CYS CA . . . . . . . . . c18964_2m3i 1 . 6 . 982 . 1 1 3 CYS CB C -1.034 5.174 0.146 . . . 1.0 . . . . . . . . . . . . A . 3 CYS CB . . . . . . . . . c18964_2m3i 1 . 6 . 983 . 1 1 3 CYS H H -3.018 3.669 -1.729 . . . 1.0 . . . . . . . . . . . . A . 3 CYS H . . . . . . . . . c18964_2m3i 1 . 6 . 984 . 1 1 3 CYS HA H -0.550 3.172 -0.418 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HA . . . . . . . . . c18964_2m3i 1 . 6 . 985 . 1 1 3 CYS HB2 H -0.382 5.604 -0.599 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HB2 . . . . . . . . . c18964_2m3i 1 . 6 . 986 . 1 1 3 CYS HB3 H -1.939 5.760 0.206 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HB3 . . . . . . . . . c18964_2m3i 1 . 6 . 987 . 1 1 3 CYS N N -2.070 3.819 -1.588 . . . 1.0 . . . . . . . . . . . . A . 3 CYS N . . . . . . . . . c18964_2m3i 1 . 6 . 988 . 1 1 3 CYS O O -1.995 2.114 1.343 . . . 1.0 . . . . . . . . . . . . A . 3 CYS O . . . . . . . . . c18964_2m3i 1 . 6 . 989 . 1 1 3 CYS SG S -0.192 5.247 1.757 . . . 1.0 . . . . . . . . . . . . A . 3 CYS SG . . . . . . . . . c18964_2m3i 1 . 6 . 990 . 1 1 4 SER C C -5.352 2.009 1.380 . . . 1.0 . . . . . . . . . . . . A . 4 SER C . . . . . . . . . c18964_2m3i 1 . 6 . 991 . 1 1 4 SER CA C -4.505 3.178 1.875 . . . 1.0 . . . . . . . . . . . . A . 4 SER CA . . . . . . . . . c18964_2m3i 1 . 6 . 992 . 1 1 4 SER CB C -5.377 4.349 2.300 . . . 1.0 . . . . . . . . . . . . A . 4 SER CB . . . . . . . . . c18964_2m3i 1 . 6 . 993 . 1 1 4 SER H H -3.898 4.344 0.264 . . . 1.0 . . . . . . . . . . . . A . 4 SER H . . . . . . . . . c18964_2m3i 1 . 6 . 994 . 1 1 4 SER HA H -3.931 2.852 2.729 . . . 1.0 . . . . . . . . . . . . A . 4 SER HA . . . . . . . . . c18964_2m3i 1 . 6 . 995 . 1 1 4 SER HB2 H -6.185 3.984 2.915 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB2 . . . . . . . . . c18964_2m3i 1 . 6 . 996 . 1 1 4 SER HB3 H -4.782 5.054 2.862 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB3 . . . . . . . . . c18964_2m3i 1 . 6 . 997 . 1 1 4 SER HG H -6.833 4.700 1.078 . . . 1.0 . . . . . . . . . . . . A . 4 SER HG . . . . . . . . . c18964_2m3i 1 . 6 . 998 . 1 1 4 SER N N -3.568 3.635 0.859 . . . 1.0 . . . . . . . . . . . . A . 4 SER N . . . . . . . . . c18964_2m3i 1 . 6 . 999 . 1 1 4 SER O O -6.395 1.692 1.940 . . . 1.0 . . . . . . . . . . . . A . 4 SER O . . . . . . . . . c18964_2m3i 1 . 6 . 1000 . 1 1 4 SER OG O -5.921 5.011 1.160 . . . 1.0 . . . . . . . . . . . . A . 4 SER OG . . . . . . . . . c18964_2m3i 1 . 6 . 1001 . 1 1 5 HIS C C -4.774 -0.967 0.355 . . . 1.0 . . . . . . . . . . . . A . 5 HIS C . . . . . . . . . c18964_2m3i 1 . 6 . 1002 . 1 1 5 HIS CA C -5.545 0.220 -0.173 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CA . . . . . . . . . c18964_2m3i 1 . 6 . 1003 . 1 1 5 HIS CB C -5.516 0.284 -1.713 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CB . . . . . . . . . c18964_2m3i 1 . 6 . 1004 . 1 1 5 HIS CD2 C -5.883 -1.851 -3.114 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CD2 . . . . . . . . . c18964_2m3i 1 . 6 . 1005 . 1 1 5 HIS CE1 C -8.049 -1.899 -3.119 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CE1 . . . . . . . . . c18964_2m3i 1 . 6 . 1006 . 1 1 5 HIS CG C -6.301 -0.787 -2.401 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CG . . . . . . . . . c18964_2m3i 1 . 6 . 1007 . 1 1 5 HIS H H -4.008 1.634 0.012 . . . 1.0 . . . . . . . . . . . . A . 5 HIS H . . . . . . . . . c18964_2m3i 1 . 6 . 1008 . 1 1 5 HIS HA H -6.561 0.202 0.191 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HA . . . . . . . . . c18964_2m3i 1 . 6 . 1009 . 1 1 5 HIS HB2 H -5.918 1.233 -2.034 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB2 . . . . . . . . . c18964_2m3i 1 . 6 . 1010 . 1 1 5 HIS HB3 H -4.490 0.210 -2.044 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB3 . . . . . . . . . c18964_2m3i 1 . 6 . 1011 . 1 1 5 HIS HD1 H -8.272 -0.196 -1.970 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD1 . . . . . . . . . c18964_2m3i 1 . 6 . 1012 . 1 1 5 HIS HD2 H -4.853 -2.113 -3.311 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD2 . . . . . . . . . c18964_2m3i 1 . 6 . 1013 . 1 1 5 HIS HE1 H -9.078 -2.175 -3.298 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HE1 . . . . . . . . . c18964_2m3i 1 . 6 . 1014 . 1 1 5 HIS N N -4.879 1.362 0.367 . . . 1.0 . . . . . . . . . . . . A . 5 HIS N . . . . . . . . . c18964_2m3i 1 . 6 . 1015 . 1 1 5 HIS ND1 N -7.672 -0.836 -2.416 . . . 1.0 . . . . . . . . . . . . A . 5 HIS ND1 . . . . . . . . . c18964_2m3i 1 . 6 . 1016 . 1 1 5 HIS NE2 N -6.993 -2.561 -3.571 . . . 1.0 . . . . . . . . . . . . A . 5 HIS NE2 . . . . . . . . . c18964_2m3i 1 . 6 . 1017 . 1 1 5 HIS O O -3.593 -1.036 0.108 . . . 1.0 . . . . . . . . . . . . A . 5 HIS O . . . . . . . . . c18964_2m3i 1 . 6 . 1018 . 1 1 6 PRO C C -3.595 -3.677 1.093 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . c18964_2m3i 1 . 6 . 1019 . 1 1 6 PRO CA C -4.771 -3.004 1.825 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . c18964_2m3i 1 . 6 . 1020 . 1 1 6 PRO CB C -5.907 -3.975 2.067 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . c18964_2m3i 1 . 6 . 1021 . 1 1 6 PRO CD C -6.884 -1.896 1.336 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . c18964_2m3i 1 . 6 . 1022 . 1 1 6 PRO CG C -7.098 -3.094 2.234 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . c18964_2m3i 1 . 6 . 1023 . 1 1 6 PRO HA H -4.400 -2.658 2.779 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . c18964_2m3i 1 . 6 . 1024 . 1 1 6 PRO HB2 H -6.005 -4.646 1.228 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB2 . . . . . . . . . c18964_2m3i 1 . 6 . 1025 . 1 1 6 PRO HB3 H -5.715 -4.542 2.965 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . c18964_2m3i 1 . 6 . 1026 . 1 1 6 PRO HD2 H -7.410 -2.024 0.402 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD2 . . . . . . . . . c18964_2m3i 1 . 6 . 1027 . 1 1 6 PRO HD3 H -7.206 -0.994 1.832 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . c18964_2m3i 1 . 6 . 1028 . 1 1 6 PRO HG2 H -7.987 -3.625 1.932 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG2 . . . . . . . . . c18964_2m3i 1 . 6 . 1029 . 1 1 6 PRO HG3 H -7.181 -2.778 3.264 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . c18964_2m3i 1 . 6 . 1030 . 1 1 6 PRO N N -5.425 -1.879 1.109 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . c18964_2m3i 1 . 6 . 1031 . 1 1 6 PRO O O -2.476 -3.722 1.631 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . c18964_2m3i 1 . 6 . 1032 . 1 1 7 VAL C C -1.627 -3.804 -1.249 . . . 1.0 . . . . . . . . . . . . A . 7 VAL C . . . . . . . . . c18964_2m3i 1 . 6 . 1033 . 1 1 7 VAL CA C -2.720 -4.810 -0.862 . . . 1.0 . . . . . . . . . . . . A . 7 VAL CA . . . . . . . . . c18964_2m3i 1 . 6 . 1034 . 1 1 7 VAL CB C -3.202 -5.615 -2.105 . . . 1.0 . . . . . . . . . . . . A . 7 VAL CB . . . . . . . . . c18964_2m3i 1 . 6 . 1035 . 1 1 7 VAL CG1 C -4.160 -6.714 -1.693 . . . 1.0 . . . . . . . . . . . . A . 7 VAL CG1 . . . . . . . . . c18964_2m3i 1 . 6 . 1036 . 1 1 7 VAL CG2 C -3.834 -4.720 -3.163 . . . 1.0 . . . . . . . . . . . . A . 7 VAL CG2 . . . . . . . . . c18964_2m3i 1 . 6 . 1037 . 1 1 7 VAL H H -4.708 -4.109 -0.518 . . . 1.0 . . . . . . . . . . . . A . 7 VAL H . . . . . . . . . c18964_2m3i 1 . 6 . 1038 . 1 1 7 VAL HA H -2.269 -5.497 -0.160 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HA . . . . . . . . . c18964_2m3i 1 . 6 . 1039 . 1 1 7 VAL HB H -2.332 -6.090 -2.531 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HB . . . . . . . . . c18964_2m3i 1 . 6 . 1040 . 1 1 7 VAL HG11 H -3.656 -7.396 -1.025 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG11 . . . . . . . . . c18964_2m3i 1 . 6 . 1041 . 1 1 7 VAL HG12 H -4.497 -7.247 -2.569 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG12 . . . . . . . . . c18964_2m3i 1 . 6 . 1042 . 1 1 7 VAL HG13 H -5.011 -6.282 -1.186 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG13 . . . . . . . . . c18964_2m3i 1 . 6 . 1043 . 1 1 7 VAL HG21 H -3.106 -3.998 -3.502 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG21 . . . . . . . . . c18964_2m3i 1 . 6 . 1044 . 1 1 7 VAL HG22 H -4.679 -4.201 -2.738 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG22 . . . . . . . . . c18964_2m3i 1 . 6 . 1045 . 1 1 7 VAL HG23 H -4.162 -5.321 -3.998 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG23 . . . . . . . . . c18964_2m3i 1 . 6 . 1046 . 1 1 7 VAL N N -3.809 -4.162 -0.124 . . . 1.0 . . . . . . . . . . . . A . 7 VAL N . . . . . . . . . c18964_2m3i 1 . 6 . 1047 . 1 1 7 VAL O O -0.446 -4.136 -1.302 . . . 1.0 . . . . . . . . . . . . A . 7 VAL O . . . . . . . . . c18964_2m3i 1 . 6 . 1048 . 1 1 8 CYS C C -0.292 -1.079 -0.544 . . . 1.0 . . . . . . . . . . . . A . 8 CYS C . . . . . . . . . c18964_2m3i 1 . 6 . 1049 . 1 1 8 CYS CA C -1.067 -1.519 -1.789 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CA . . . . . . . . . c18964_2m3i 1 . 6 . 1050 . 1 1 8 CYS CB C -1.754 -0.316 -2.443 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CB . . . . . . . . . c18964_2m3i 1 . 6 . 1051 . 1 1 8 CYS H H -2.956 -2.327 -1.301 . . . 1.0 . . . . . . . . . . . . A . 8 CYS H . . . . . . . . . c18964_2m3i 1 . 6 . 1052 . 1 1 8 CYS HA H -0.372 -1.960 -2.489 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HA . . . . . . . . . c18964_2m3i 1 . 6 . 1053 . 1 1 8 CYS HB2 H -2.400 -0.643 -3.244 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB2 . . . . . . . . . c18964_2m3i 1 . 6 . 1054 . 1 1 8 CYS HB3 H -2.356 0.192 -1.705 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB3 . . . . . . . . . c18964_2m3i 1 . 6 . 1055 . 1 1 8 CYS N N -2.012 -2.558 -1.434 . . . 1.0 . . . . . . . . . . . . A . 8 CYS N . . . . . . . . . c18964_2m3i 1 . 6 . 1056 . 1 1 8 CYS O O 0.826 -0.604 -0.643 . . . 1.0 . . . . . . . . . . . . A . 8 CYS O . . . . . . . . . c18964_2m3i 1 . 6 . 1057 . 1 1 8 CYS SG S -0.598 0.911 -3.130 . . . 1.0 . . . . . . . . . . . . A . 8 CYS SG . . . . . . . . . c18964_2m3i 1 . 6 . 1058 . 1 1 9 SER C C 0.915 -1.999 2.129 . . . 1.0 . . . . . . . . . . . . A . 9 SER C . . . . . . . . . c18964_2m3i 1 . 6 . 1059 . 1 1 9 SER CA C -0.229 -0.981 1.882 . . . 1.0 . . . . . . . . . . . . A . 9 SER CA . . . . . . . . . c18964_2m3i 1 . 6 . 1060 . 1 1 9 SER CB C -1.248 -1.030 3.020 . . . 1.0 . . . . . . . . . . . . A . 9 SER CB . . . . . . . . . c18964_2m3i 1 . 6 . 1061 . 1 1 9 SER H H -1.806 -1.606 0.673 . . . 1.0 . . . . . . . . . . . . A . 9 SER H . . . . . . . . . c18964_2m3i 1 . 6 . 1062 . 1 1 9 SER HA H 0.134 0.028 1.771 . . . 1.0 . . . . . . . . . . . . A . 9 SER HA . . . . . . . . . c18964_2m3i 1 . 6 . 1063 . 1 1 9 SER HB2 H -1.582 -2.048 3.157 . . . 1.0 . . . . . . . . . . . . A . 9 SER HB2 . . . . . . . . . c18964_2m3i 1 . 6 . 1064 . 1 1 9 SER HB3 H -0.788 -0.672 3.928 . . . 1.0 . . . . . . . . . . . . A . 9 SER HB3 . . . . . . . . . c18964_2m3i 1 . 6 . 1065 . 1 1 9 SER HG H -2.073 0.567 2.236 . . . 1.0 . . . . . . . . . . . . A . 9 SER HG . . . . . . . . . c18964_2m3i 1 . 6 . 1066 . 1 1 9 SER N N -0.881 -1.281 0.632 . . . 1.0 . . . . . . . . . . . . A . 9 SER N . . . . . . . . . c18964_2m3i 1 . 6 . 1067 . 1 1 9 SER O O 1.802 -1.793 2.954 . . . 1.0 . . . . . . . . . . . . A . 9 SER O . . . . . . . . . c18964_2m3i 1 . 6 . 1068 . 1 1 9 SER OG O -2.379 -0.212 2.725 . . . 1.0 . . . . . . . . . . . . A . 9 SER OG . . . . . . . . . c18964_2m3i 1 . 6 . 1069 . 1 1 10 ALA C C 2.868 -3.863 0.322 . . . 1.0 . . . . . . . . . . . . A . 10 ALA C . . . . . . . . . c18964_2m3i 1 . 6 . 1070 . 1 1 10 ALA CA C 1.888 -4.121 1.456 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CA . . . . . . . . . c18964_2m3i 1 . 6 . 1071 . 1 1 10 ALA CB C 1.282 -5.501 1.336 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CB . . . . . . . . . c18964_2m3i 1 . 6 . 1072 . 1 1 10 ALA H H 0.062 -3.269 0.855 . . . 1.0 . . . . . . . . . . . . A . 10 ALA H . . . . . . . . . c18964_2m3i 1 . 6 . 1073 . 1 1 10 ALA HA H 2.407 -4.039 2.399 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HA . . . . . . . . . c18964_2m3i 1 . 6 . 1074 . 1 1 10 ALA HB1 H 2.063 -6.245 1.388 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB1 . . . . . . . . . c18964_2m3i 1 . 6 . 1075 . 1 1 10 ALA HB2 H 0.764 -5.585 0.393 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB2 . . . . . . . . . c18964_2m3i 1 . 6 . 1076 . 1 1 10 ALA HB3 H 0.586 -5.655 2.147 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB3 . . . . . . . . . c18964_2m3i 1 . 6 . 1077 . 1 1 10 ALA N N 0.850 -3.116 1.417 . . . 1.0 . . . . . . . . . . . . A . 10 ALA N . . . . . . . . . c18964_2m3i 1 . 6 . 1078 . 1 1 10 ALA O O 4.065 -4.144 0.433 . . . 1.0 . . . . . . . . . . . . A . 10 ALA O . . . . . . . . . c18964_2m3i 1 . 6 . 1079 . 1 1 11 MET C C 4.071 -1.814 -1.528 . . . 1.0 . . . . . . . . . . . . A . 11 MET C . . . . . . . . . c18964_2m3i 1 . 6 . 1080 . 1 1 11 MET CA C 3.153 -2.926 -1.930 . . . 1.0 . . . . . . . . . . . . A . 11 MET CA . . . . . . . . . c18964_2m3i 1 . 6 . 1081 . 1 1 11 MET CB C 2.293 -2.488 -3.120 . . . 1.0 . . . . . . . . . . . . A . 11 MET CB . . . . . . . . . c18964_2m3i 1 . 6 . 1082 . 1 1 11 MET CE C 1.309 -5.989 -5.155 . . . 1.0 . . . . . . . . . . . . A . 11 MET CE . . . . . . . . . c18964_2m3i 1 . 6 . 1083 . 1 1 11 MET CG C 1.495 -3.598 -3.776 . . . 1.0 . . . . . . . . . . . . A . 11 MET CG . . . . . . . . . c18964_2m3i 1 . 6 . 1084 . 1 1 11 MET H H 1.363 -3.240 -0.822 . . . 1.0 . . . . . . . . . . . . A . 11 MET H . . . . . . . . . c18964_2m3i 1 . 6 . 1085 . 1 1 11 MET HA H 3.762 -3.762 -2.214 . . . 1.0 . . . . . . . . . . . . A . 11 MET HA . . . . . . . . . c18964_2m3i 1 . 6 . 1086 . 1 1 11 MET HB2 H 1.608 -1.725 -2.782 . . . 1.0 . . . . . . . . . . . . A . 11 MET HB2 . . . . . . . . . c18964_2m3i 1 . 6 . 1087 . 1 1 11 MET HB3 H 2.941 -2.051 -3.863 . . . 1.0 . . . . . . . . . . . . A . 11 MET HB3 . . . . . . . . . c18964_2m3i 1 . 6 . 1088 . 1 1 11 MET HE1 H 1.794 -6.847 -5.597 . . . 1.0 . . . . . . . . . . . . A . 11 MET HE1 . . . . . . . . . c18964_2m3i 1 . 6 . 1089 . 1 1 11 MET HE2 H 0.758 -5.459 -5.918 . . . 1.0 . . . . . . . . . . . . A . 11 MET HE2 . . . . . . . . . c18964_2m3i 1 . 6 . 1090 . 1 1 11 MET HE3 H 0.633 -6.316 -4.379 . . . 1.0 . . . . . . . . . . . . A . 11 MET HE3 . . . . . . . . . c18964_2m3i 1 . 6 . 1091 . 1 1 11 MET HG2 H 0.837 -4.036 -3.038 . . . 1.0 . . . . . . . . . . . . A . 11 MET HG2 . . . . . . . . . c18964_2m3i 1 . 6 . 1092 . 1 1 11 MET HG3 H 0.906 -3.177 -4.577 . . . 1.0 . . . . . . . . . . . . A . 11 MET HG3 . . . . . . . . . c18964_2m3i 1 . 6 . 1093 . 1 1 11 MET N N 2.337 -3.334 -0.782 . . . 1.0 . . . . . . . . . . . . A . 11 MET N . . . . . . . . . c18964_2m3i 1 . 6 . 1094 . 1 1 11 MET O O 5.256 -1.812 -1.839 . . . 1.0 . . . . . . . . . . . . A . 11 MET O . . . . . . . . . c18964_2m3i 1 . 6 . 1095 . 1 1 11 MET SD S 2.547 -4.897 -4.451 . . . 1.0 . . . . . . . . . . . . A . 11 MET SD . . . . . . . . . c18964_2m3i 1 . 6 . 1096 . 1 1 12 SER C C 4.035 0.220 1.201 . . . 1.0 . . . . . . . . . . . . A . 12 SER C . . . . . . . . . c18964_2m3i 1 . 6 . 1097 . 1 1 12 SER CA C 4.231 0.191 -0.299 . . . 1.0 . . . . . . . . . . . . A . 12 SER CA . . . . . . . . . c18964_2m3i 1 . 6 . 1098 . 1 1 12 SER CB C 3.774 1.511 -0.903 . . . 1.0 . . . . . . . . . . . . A . 12 SER CB . . . . . . . . . c18964_2m3i 1 . 6 . 1099 . 1 1 12 SER H H 2.546 -0.951 -0.710 . . . 1.0 . . . . . . . . . . . . A . 12 SER H . . . . . . . . . c18964_2m3i 1 . 6 . 1100 . 1 1 12 SER HA H 5.276 0.047 -0.523 . . . 1.0 . . . . . . . . . . . . A . 12 SER HA . . . . . . . . . c18964_2m3i 1 . 6 . 1101 . 1 1 12 SER HB2 H 3.803 1.437 -1.977 . . . 1.0 . . . . . . . . . . . . A . 12 SER HB2 . . . . . . . . . c18964_2m3i 1 . 6 . 1102 . 1 1 12 SER HB3 H 2.759 1.681 -0.579 . . . 1.0 . . . . . . . . . . . . A . 12 SER HB3 . . . . . . . . . c18964_2m3i 1 . 6 . 1103 . 1 1 12 SER HG H 5.164 2.851 -1.167 . . . 1.0 . . . . . . . . . . . . A . 12 SER HG . . . . . . . . . c18964_2m3i 1 . 6 . 1104 . 1 1 12 SER N N 3.515 -0.892 -0.842 . . . 1.0 . . . . . . . . . . . . A . 12 SER N . . . . . . . . . c18964_2m3i 1 . 6 . 1105 . 1 1 12 SER O O 3.106 0.860 1.706 . . . 1.0 . . . . . . . . . . . . A . 12 SER O . . . . . . . . . c18964_2m3i 1 . 6 . 1106 . 1 1 12 SER OG O 4.578 2.596 -0.444 . . . 1.0 . . . . . . . . . . . . A . 12 SER OG . . . . . . . . . c18964_2m3i 1 . 6 . 1107 . 1 1 13 PRO C C 5.631 0.732 3.917 . . . 1.0 . . . . . . . . . . . . A . 13 PRO C . . . . . . . . . c18964_2m3i 1 . 6 . 1108 . 1 1 13 PRO CA C 4.838 -0.466 3.401 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CA . . . . . . . . . c18964_2m3i 1 . 6 . 1109 . 1 1 13 PRO CB C 5.513 -1.773 3.784 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CB . . . . . . . . . c18964_2m3i 1 . 6 . 1110 . 1 1 13 PRO CD C 5.951 -1.392 1.457 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CD . . . . . . . . . c18964_2m3i 1 . 6 . 1111 . 1 1 13 PRO CG C 6.520 -1.995 2.715 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CG . . . . . . . . . c18964_2m3i 1 . 6 . 1112 . 1 1 13 PRO HA H 3.823 -0.430 3.766 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HA . . . . . . . . . c18964_2m3i 1 . 6 . 1113 . 1 1 13 PRO HB2 H 5.974 -1.662 4.753 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HB2 . . . . . . . . . c18964_2m3i 1 . 6 . 1114 . 1 1 13 PRO HB3 H 4.782 -2.569 3.812 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HB3 . . . . . . . . . c18964_2m3i 1 . 6 . 1115 . 1 1 13 PRO HD2 H 6.711 -0.833 0.934 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HD2 . . . . . . . . . c18964_2m3i 1 . 6 . 1116 . 1 1 13 PRO HD3 H 5.537 -2.159 0.820 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HD3 . . . . . . . . . c18964_2m3i 1 . 6 . 1117 . 1 1 13 PRO HG2 H 7.439 -1.492 2.979 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HG2 . . . . . . . . . c18964_2m3i 1 . 6 . 1118 . 1 1 13 PRO HG3 H 6.689 -3.054 2.584 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HG3 . . . . . . . . . c18964_2m3i 1 . 6 . 1119 . 1 1 13 PRO N N 4.887 -0.489 1.953 . . . 1.0 . . . . . . . . . . . . A . 13 PRO N . . . . . . . . . c18964_2m3i 1 . 6 . 1120 . 1 1 13 PRO O O 5.945 0.844 5.103 . . . 1.0 . . . . . . . . . . . . A . 13 PRO O . . . . . . . . . c18964_2m3i 1 . 6 . 1121 . 1 1 14 ILE C C 5.630 3.911 3.411 . . . 1.0 . . . . . . . . . . . . A . 14 ILE C . . . . . . . . . c18964_2m3i 1 . 6 . 1122 . 1 1 14 ILE CA C 6.681 2.822 3.278 . . . 1.0 . . . . . . . . . . . . A . 14 ILE CA . . . . . . . . . c18964_2m3i 1 . 6 . 1123 . 1 1 14 ILE CB C 7.713 3.185 2.157 . . . 1.0 . . . . . . . . . . . . A . 14 ILE CB . . . . . . . . . c18964_2m3i 1 . 6 . 1124 . 1 1 14 ILE CD1 C 9.494 1.535 3.058 . . . 1.0 . . . . . . . . . . . . A . 14 ILE CD1 . . . . . . . . . c18964_2m3i 1 . 6 . 1125 . 1 1 14 ILE CG1 C 8.668 2.000 1.871 . . . 1.0 . . . . . . . . . . . . A . 14 ILE CG1 . . . . . . . . . c18964_2m3i 1 . 6 . 1126 . 1 1 14 ILE CG2 C 8.515 4.439 2.515 . . . 1.0 . . . . . . . . . . . . A . 14 ILE CG2 . . . . . . . . . c18964_2m3i 1 . 6 . 1127 . 1 1 14 ILE H H 5.800 1.367 2.053 . . . 1.0 . . . . . . . . . . . . A . 14 ILE H . . . . . . . . . c18964_2m3i 1 . 6 . 1128 . 1 1 14 ILE HA H 7.177 2.672 4.214 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HA . . . . . . . . . c18964_2m3i 1 . 6 . 1129 . 1 1 14 ILE HB H 7.155 3.399 1.258 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HB . . . . . . . . . c18964_2m3i 1 . 6 . 1130 . 1 1 14 ILE HD11 H 8.835 1.194 3.842 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HD11 . . . . . . . . . c18964_2m3i 1 . 6 . 1131 . 1 1 14 ILE HD12 H 10.091 2.358 3.423 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HD12 . . . . . . . . . c18964_2m3i 1 . 6 . 1132 . 1 1 14 ILE HD13 H 10.142 0.727 2.753 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HD13 . . . . . . . . . c18964_2m3i 1 . 6 . 1133 . 1 1 14 ILE HG12 H 8.084 1.154 1.541 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HG12 . . . . . . . . . c18964_2m3i 1 . 6 . 1134 . 1 1 14 ILE HG13 H 9.348 2.284 1.081 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HG13 . . . . . . . . . c18964_2m3i 1 . 6 . 1135 . 1 1 14 ILE HG21 H 7.842 5.274 2.641 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HG21 . . . . . . . . . c18964_2m3i 1 . 6 . 1136 . 1 1 14 ILE HG22 H 9.216 4.657 1.722 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HG22 . . . . . . . . . c18964_2m3i 1 . 6 . 1137 . 1 1 14 ILE HG23 H 9.055 4.269 3.434 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HG23 . . . . . . . . . c18964_2m3i 1 . 6 . 1138 . 1 1 14 ILE N N 5.996 1.596 2.985 . . . 1.0 . . . . . . . . . . . . A . 14 ILE N . . . . . . . . . c18964_2m3i 1 . 6 . 1139 . 1 1 14 ILE O O 5.828 4.959 4.030 . . . 1.0 . . . . . . . . . . . . A . 14 ILE O . . . . . . . . . c18964_2m3i 1 . 6 . 1140 . 1 1 15 CYS C C 2.347 3.941 3.844 . . . 1.0 . . . . . . . . . . . . A . 15 CYS C . . . . . . . . . c18964_2m3i 1 . 6 . 1141 . 1 1 15 CYS CA C 3.387 4.506 2.884 . . . 1.0 . . . . . . . . . . . . A . 15 CYS CA . . . . . . . . . c18964_2m3i 1 . 6 . 1142 . 1 1 15 CYS CB C 2.808 4.714 1.473 . . . 1.0 . . . . . . . . . . . . A . 15 CYS CB . . . . . . . . . c18964_2m3i 1 . 6 . 1143 . 1 1 15 CYS H H 4.454 2.736 2.445 . . . 1.0 . . . . . . . . . . . . A . 15 CYS H . . . . . . . . . c18964_2m3i 1 . 6 . 1144 . 1 1 15 CYS HA H 3.729 5.450 3.277 . . . 1.0 . . . . . . . . . . . . A . 15 CYS HA . . . . . . . . . c18964_2m3i 1 . 6 . 1145 . 1 1 15 CYS HB2 H 3.614 4.917 0.784 . . . 1.0 . . . . . . . . . . . . A . 15 CYS HB2 . . . . . . . . . c18964_2m3i 1 . 6 . 1146 . 1 1 15 CYS HB3 H 2.305 3.810 1.162 . . . 1.0 . . . . . . . . . . . . A . 15 CYS HB3 . . . . . . . . . c18964_2m3i 1 . 6 . 1147 . 1 1 15 CYS N N 4.507 3.620 2.860 . . . 1.0 . . . . . . . . . . . . A . 15 CYS N . . . . . . . . . c18964_2m3i 1 . 6 . 1148 . 1 1 15 CYS O O 2.218 4.409 4.977 . . . 1.0 . . . . . . . . . . . . A . 15 CYS O . . . . . . . . . c18964_2m3i 1 . 6 . 1149 . 1 1 15 CYS SG S 1.603 6.094 1.348 . . . 1.0 . . . . . . . . . . . . A . 15 CYS SG . . . . . . . . . c18964_2m3i 1 . 6 . 1150 . 1 1 16 NH2 HN1 H 1.766 2.566 2.521 . . . 1.0 . . . . . . . . . . . . A . 16 NH2 HN1 . . . . . . . . . c18964_2m3i 1 . 6 . 1151 . 1 1 16 NH2 HN2 H 0.992 2.528 4.062 . . . 1.0 . . . . . . . . . . . . A . 16 NH2 HN2 . . . . . . . . . c18964_2m3i 1 . 6 . 1152 . 1 1 16 NH2 N N 1.634 2.913 3.429 . . . 1.0 . . . . . . . . . . . . A . 16 NH2 N . . . . . . . . . c18964_2m3i 1 . 7 . 1153 . 1 1 1 GLY C C -0.810 4.857 -5.312 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c18964_2m3i 1 . 7 . 1154 . 1 1 1 GLY CA C 0.569 5.085 -5.869 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c18964_2m3i 1 . 7 . 1155 . 1 1 1 GLY H1 H -0.057 5.977 -7.626 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c18964_2m3i 1 . 7 . 1156 . 1 1 1 GLY H2 H 0.094 4.312 -7.721 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H2 . . . . . . . . . c18964_2m3i 1 . 7 . 1157 . 1 1 1 GLY H3 H 1.482 5.262 -7.730 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H3 . . . . . . . . . c18964_2m3i 1 . 7 . 1158 . 1 1 1 GLY HA2 H 1.203 4.260 -5.581 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c18964_2m3i 1 . 7 . 1159 . 1 1 1 GLY HA3 H 0.978 6.002 -5.474 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c18964_2m3i 1 . 7 . 1160 . 1 1 1 GLY N N 0.527 5.173 -7.330 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c18964_2m3i 1 . 7 . 1161 . 1 1 1 GLY O O -1.777 5.461 -5.776 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c18964_2m3i 1 . 7 . 1162 . 1 1 2 CYS C C -2.182 4.037 -2.288 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . c18964_2m3i 1 . 7 . 1163 . 1 1 2 CYS CA C -2.141 3.617 -3.763 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . c18964_2m3i 1 . 7 . 1164 . 1 1 2 CYS CB C -2.250 2.123 -3.894 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . c18964_2m3i 1 . 7 . 1165 . 1 1 2 CYS H H -0.143 3.481 -4.003 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . c18964_2m3i 1 . 7 . 1166 . 1 1 2 CYS HA H -2.951 4.066 -4.315 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . c18964_2m3i 1 . 7 . 1167 . 1 1 2 CYS HB2 H -3.002 1.794 -3.204 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . c18964_2m3i 1 . 7 . 1168 . 1 1 2 CYS HB3 H -2.491 1.864 -4.910 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . c18964_2m3i 1 . 7 . 1169 . 1 1 2 CYS N N -0.911 3.975 -4.357 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . c18964_2m3i 1 . 7 . 1170 . 1 1 2 CYS O O -2.934 4.946 -1.895 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . c18964_2m3i 1 . 7 . 1171 . 1 1 2 CYS SG S -0.709 1.236 -3.440 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . c18964_2m3i 1 . 7 . 1172 . 1 1 3 CYS C C -2.389 3.168 0.768 . . . 1.0 . . . . . . . . . . . . A . 3 CYS C . . . . . . . . . c18964_2m3i 1 . 7 . 1173 . 1 1 3 CYS CA C -1.158 3.568 -0.072 . . . 1.0 . . . . . . . . . . . . A . 3 CYS CA . . . . . . . . . c18964_2m3i 1 . 7 . 1174 . 1 1 3 CYS CB C -0.709 4.987 0.211 . . . 1.0 . . . . . . . . . . . . A . 3 CYS CB . . . . . . . . . c18964_2m3i 1 . 7 . 1175 . 1 1 3 CYS H H -0.765 2.718 -1.945 . . . 1.0 . . . . . . . . . . . . A . 3 CYS H . . . . . . . . . c18964_2m3i 1 . 7 . 1176 . 1 1 3 CYS HA H -0.356 2.903 0.216 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HA . . . . . . . . . c18964_2m3i 1 . 7 . 1177 . 1 1 3 CYS HB2 H 0.156 5.176 -0.405 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HB2 . . . . . . . . . c18964_2m3i 1 . 7 . 1178 . 1 1 3 CYS HB3 H -1.506 5.649 -0.089 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HB3 . . . . . . . . . c18964_2m3i 1 . 7 . 1179 . 1 1 3 CYS N N -1.342 3.374 -1.502 . . . 1.0 . . . . . . . . . . . . A . 3 CYS N . . . . . . . . . c18964_2m3i 1 . 7 . 1180 . 1 1 3 CYS O O -2.338 2.187 1.516 . . . 1.0 . . . . . . . . . . . . A . 3 CYS O . . . . . . . . . c18964_2m3i 1 . 7 . 1181 . 1 1 3 CYS SG S -0.272 5.326 1.940 . . . 1.0 . . . . . . . . . . . . A . 3 CYS SG . . . . . . . . . c18964_2m3i 1 . 7 . 1182 . 1 1 4 SER C C -5.541 2.449 0.898 . . . 1.0 . . . . . . . . . . . . A . 4 SER C . . . . . . . . . c18964_2m3i 1 . 7 . 1183 . 1 1 4 SER CA C -4.729 3.669 1.358 . . . 1.0 . . . . . . . . . . . . A . 4 SER CA . . . . . . . . . c18964_2m3i 1 . 7 . 1184 . 1 1 4 SER CB C -5.581 4.933 1.265 . . . 1.0 . . . . . . . . . . . . A . 4 SER CB . . . . . . . . . c18964_2m3i 1 . 7 . 1185 . 1 1 4 SER H H -3.522 4.527 -0.149 . . . 1.0 . . . . . . . . . . . . A . 4 SER H . . . . . . . . . c18964_2m3i 1 . 7 . 1186 . 1 1 4 SER HA H -4.443 3.531 2.390 . . . 1.0 . . . . . . . . . . . . A . 4 SER HA . . . . . . . . . c18964_2m3i 1 . 7 . 1187 . 1 1 4 SER HB2 H -5.859 5.104 0.236 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB2 . . . . . . . . . c18964_2m3i 1 . 7 . 1188 . 1 1 4 SER HB3 H -6.469 4.817 1.868 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB3 . . . . . . . . . c18964_2m3i 1 . 7 . 1189 . 1 1 4 SER HG H -4.861 6.013 2.692 . . . 1.0 . . . . . . . . . . . . A . 4 SER HG . . . . . . . . . c18964_2m3i 1 . 7 . 1190 . 1 1 4 SER N N -3.506 3.857 0.571 . . . 1.0 . . . . . . . . . . . . A . 4 SER N . . . . . . . . . c18964_2m3i 1 . 7 . 1191 . 1 1 4 SER O O -6.732 2.311 1.211 . . . 1.0 . . . . . . . . . . . . A . 4 SER O . . . . . . . . . c18964_2m3i 1 . 7 . 1192 . 1 1 4 SER OG O -4.855 6.060 1.728 . . . 1.0 . . . . . . . . . . . . A . 4 SER OG . . . . . . . . . c18964_2m3i 1 . 7 . 1193 . 1 1 5 HIS C C -4.811 -0.794 0.394 . . . 1.0 . . . . . . . . . . . . A . 5 HIS C . . . . . . . . . c18964_2m3i 1 . 7 . 1194 . 1 1 5 HIS CA C -5.536 0.370 -0.257 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CA . . . . . . . . . c18964_2m3i 1 . 7 . 1195 . 1 1 5 HIS CB C -5.488 0.294 -1.792 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CB . . . . . . . . . c18964_2m3i 1 . 7 . 1196 . 1 1 5 HIS CD2 C -5.988 -2.070 -2.742 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CD2 . . . . . . . . . c18964_2m3i 1 . 7 . 1197 . 1 1 5 HIS CE1 C -8.085 -1.799 -3.236 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CE1 . . . . . . . . . c18964_2m3i 1 . 7 . 1198 . 1 1 5 HIS CG C -6.318 -0.801 -2.397 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CG . . . . . . . . . c18964_2m3i 1 . 7 . 1199 . 1 1 5 HIS H H -3.950 1.721 0.025 . . . 1.0 . . . . . . . . . . . . A . 5 HIS H . . . . . . . . . c18964_2m3i 1 . 7 . 1200 . 1 1 5 HIS HA H -6.561 0.385 0.082 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HA . . . . . . . . . c18964_2m3i 1 . 7 . 1201 . 1 1 5 HIS HB2 H -5.857 1.228 -2.186 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB2 . . . . . . . . . c18964_2m3i 1 . 7 . 1202 . 1 1 5 HIS HB3 H -4.464 0.155 -2.102 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB3 . . . . . . . . . c18964_2m3i 1 . 7 . 1203 . 1 1 5 HIS HD1 H -8.182 0.163 -2.599 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD1 . . . . . . . . . c18964_2m3i 1 . 7 . 1204 . 1 1 5 HIS HD2 H -5.014 -2.526 -2.637 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD2 . . . . . . . . . c18964_2m3i 1 . 7 . 1205 . 1 1 5 HIS HE1 H -9.095 -1.964 -3.582 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HE1 . . . . . . . . . c18964_2m3i 1 . 7 . 1206 . 1 1 5 HIS N N -4.902 1.566 0.198 . . . 1.0 . . . . . . . . . . . . A . 5 HIS N . . . . . . . . . c18964_2m3i 1 . 7 . 1207 . 1 1 5 HIS ND1 N -7.646 -0.653 -2.720 . . . 1.0 . . . . . . . . . . . . A . 5 HIS ND1 . . . . . . . . . c18964_2m3i 1 . 7 . 1208 . 1 1 5 HIS NE2 N -7.112 -2.703 -3.271 . . . 1.0 . . . . . . . . . . . . A . 5 HIS NE2 . . . . . . . . . c18964_2m3i 1 . 7 . 1209 . 1 1 5 HIS O O -3.679 -1.057 0.042 . . . 1.0 . . . . . . . . . . . . A . 5 HIS O . . . . . . . . . c18964_2m3i 1 . 7 . 1210 . 1 1 6 PRO C C -3.944 -3.526 1.464 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . c18964_2m3i 1 . 7 . 1211 . 1 1 6 PRO CA C -4.874 -2.555 2.202 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . c18964_2m3i 1 . 7 . 1212 . 1 1 6 PRO CB C -6.100 -3.292 2.714 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . c18964_2m3i 1 . 7 . 1213 . 1 1 6 PRO CD C -6.865 -1.215 1.750 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . c18964_2m3i 1 . 7 . 1214 . 1 1 6 PRO CG C -7.153 -2.247 2.812 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . c18964_2m3i 1 . 7 . 1215 . 1 1 6 PRO HA H -4.338 -2.145 3.045 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . c18964_2m3i 1 . 7 . 1216 . 1 1 6 PRO HB2 H -6.369 -4.072 2.017 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB2 . . . . . . . . . c18964_2m3i 1 . 7 . 1217 . 1 1 6 PRO HB3 H -5.886 -3.727 3.680 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . c18964_2m3i 1 . 7 . 1218 . 1 1 6 PRO HD2 H -7.516 -1.346 0.897 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD2 . . . . . . . . . c18964_2m3i 1 . 7 . 1219 . 1 1 6 PRO HD3 H -6.974 -0.218 2.149 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . c18964_2m3i 1 . 7 . 1220 . 1 1 6 PRO HG2 H -8.119 -2.694 2.634 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG2 . . . . . . . . . c18964_2m3i 1 . 7 . 1221 . 1 1 6 PRO HG3 H -7.125 -1.795 3.792 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . c18964_2m3i 1 . 7 . 1222 . 1 1 6 PRO N N -5.462 -1.468 1.365 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . c18964_2m3i 1 . 7 . 1223 . 1 1 6 PRO O O -2.782 -3.694 1.840 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . c18964_2m3i 1 . 7 . 1224 . 1 1 7 VAL C C -2.448 -4.436 -1.060 . . . 1.0 . . . . . . . . . . . . A . 7 VAL C . . . . . . . . . c18964_2m3i 1 . 7 . 1225 . 1 1 7 VAL CA C -3.655 -5.110 -0.361 . . . 1.0 . . . . . . . . . . . . A . 7 VAL CA . . . . . . . . . c18964_2m3i 1 . 7 . 1226 . 1 1 7 VAL CB C -4.553 -5.867 -1.397 . . . 1.0 . . . . . . . . . . . . A . 7 VAL CB . . . . . . . . . c18964_2m3i 1 . 7 . 1227 . 1 1 7 VAL CG1 C -3.752 -6.893 -2.184 . . . 1.0 . . . . . . . . . . . . A . 7 VAL CG1 . . . . . . . . . c18964_2m3i 1 . 7 . 1228 . 1 1 7 VAL CG2 C -5.706 -6.563 -0.688 . . . 1.0 . . . . . . . . . . . . A . 7 VAL CG2 . . . . . . . . . c18964_2m3i 1 . 7 . 1229 . 1 1 7 VAL H H -5.363 -3.933 0.139 . . . 1.0 . . . . . . . . . . . . A . 7 VAL H . . . . . . . . . c18964_2m3i 1 . 7 . 1230 . 1 1 7 VAL HA H -3.267 -5.825 0.349 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HA . . . . . . . . . c18964_2m3i 1 . 7 . 1231 . 1 1 7 VAL HB H -4.967 -5.148 -2.087 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HB . . . . . . . . . c18964_2m3i 1 . 7 . 1232 . 1 1 7 VAL HG11 H -2.948 -6.393 -2.703 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG11 . . . . . . . . . c18964_2m3i 1 . 7 . 1233 . 1 1 7 VAL HG12 H -4.396 -7.383 -2.901 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG12 . . . . . . . . . c18964_2m3i 1 . 7 . 1234 . 1 1 7 VAL HG13 H -3.342 -7.628 -1.507 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG13 . . . . . . . . . c18964_2m3i 1 . 7 . 1235 . 1 1 7 VAL HG21 H -6.347 -7.035 -1.417 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG21 . . . . . . . . . c18964_2m3i 1 . 7 . 1236 . 1 1 7 VAL HG22 H -6.270 -5.851 -0.105 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG22 . . . . . . . . . c18964_2m3i 1 . 7 . 1237 . 1 1 7 VAL HG23 H -5.306 -7.320 -0.029 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG23 . . . . . . . . . c18964_2m3i 1 . 7 . 1238 . 1 1 7 VAL N N -4.437 -4.134 0.403 . . . 1.0 . . . . . . . . . . . . A . 7 VAL N . . . . . . . . . c18964_2m3i 1 . 7 . 1239 . 1 1 7 VAL O O -1.410 -5.059 -1.295 . . . 1.0 . . . . . . . . . . . . A . 7 VAL O . . . . . . . . . c18964_2m3i 1 . 7 . 1240 . 1 1 8 CYS C C -0.579 -1.749 -0.974 . . . 1.0 . . . . . . . . . . . . A . 8 CYS C . . . . . . . . . c18964_2m3i 1 . 7 . 1241 . 1 1 8 CYS CA C -1.524 -2.415 -1.989 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CA . . . . . . . . . c18964_2m3i 1 . 7 . 1242 . 1 1 8 CYS CB C -2.149 -1.371 -2.888 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CB . . . . . . . . . c18964_2m3i 1 . 7 . 1243 . 1 1 8 CYS H H -3.343 -2.665 -0.965 . . . 1.0 . . . . . . . . . . . . A . 8 CYS H . . . . . . . . . c18964_2m3i 1 . 7 . 1244 . 1 1 8 CYS HA H -0.960 -3.113 -2.590 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HA . . . . . . . . . c18964_2m3i 1 . 7 . 1245 . 1 1 8 CYS HB2 H -2.993 -1.797 -3.408 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB2 . . . . . . . . . c18964_2m3i 1 . 7 . 1246 . 1 1 8 CYS HB3 H -2.483 -0.589 -2.223 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB3 . . . . . . . . . c18964_2m3i 1 . 7 . 1247 . 1 1 8 CYS N N -2.558 -3.152 -1.296 . . . 1.0 . . . . . . . . . . . . A . 8 CYS N . . . . . . . . . c18964_2m3i 1 . 7 . 1248 . 1 1 8 CYS O O 0.495 -1.266 -1.320 . . . 1.0 . . . . . . . . . . . . A . 8 CYS O . . . . . . . . . c18964_2m3i 1 . 7 . 1249 . 1 1 8 CYS SG S -1.005 -0.642 -4.106 . . . 1.0 . . . . . . . . . . . . A . 8 CYS SG . . . . . . . . . c18964_2m3i 1 . 7 . 1250 . 1 1 9 SER C C 1.131 -2.144 1.524 . . . 1.0 . . . . . . . . . . . . A . 9 SER C . . . . . . . . . c18964_2m3i 1 . 7 . 1251 . 1 1 9 SER CA C -0.133 -1.254 1.381 . . . 1.0 . . . . . . . . . . . . A . 9 SER CA . . . . . . . . . c18964_2m3i 1 . 7 . 1252 . 1 1 9 SER CB C -0.931 -1.226 2.696 . . . 1.0 . . . . . . . . . . . . A . 9 SER CB . . . . . . . . . c18964_2m3i 1 . 7 . 1253 . 1 1 9 SER H H -1.887 -2.022 0.514 . . . 1.0 . . . . . . . . . . . . A . 9 SER H . . . . . . . . . c18964_2m3i 1 . 7 . 1254 . 1 1 9 SER HA H 0.158 -0.248 1.118 . . . 1.0 . . . . . . . . . . . . A . 9 SER HA . . . . . . . . . c18964_2m3i 1 . 7 . 1255 . 1 1 9 SER HB2 H -1.203 -2.235 2.966 . . . 1.0 . . . . . . . . . . . . A . 9 SER HB2 . . . . . . . . . c18964_2m3i 1 . 7 . 1256 . 1 1 9 SER HB3 H -0.325 -0.796 3.480 . . . 1.0 . . . . . . . . . . . . A . 9 SER HB3 . . . . . . . . . c18964_2m3i 1 . 7 . 1257 . 1 1 9 SER HG H -1.924 0.413 2.174 . . . 1.0 . . . . . . . . . . . . A . 9 SER HG . . . . . . . . . c18964_2m3i 1 . 7 . 1258 . 1 1 9 SER N N -0.975 -1.744 0.294 . . . 1.0 . . . . . . . . . . . . A . 9 SER N . . . . . . . . . c18964_2m3i 1 . 7 . 1259 . 1 1 9 SER O O 2.079 -1.803 2.230 . . . 1.0 . . . . . . . . . . . . A . 9 SER O . . . . . . . . . c18964_2m3i 1 . 7 . 1260 . 1 1 9 SER OG O -2.129 -0.451 2.558 . . . 1.0 . . . . . . . . . . . . A . 9 SER OG . . . . . . . . . c18964_2m3i 1 . 7 . 1261 . 1 1 10 ALA C C 3.238 -3.741 -0.298 . . . 1.0 . . . . . . . . . . . . A . 10 ALA C . . . . . . . . . c18964_2m3i 1 . 7 . 1262 . 1 1 10 ALA CA C 2.258 -4.184 0.797 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CA . . . . . . . . . c18964_2m3i 1 . 7 . 1263 . 1 1 10 ALA CB C 1.794 -5.609 0.560 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CB . . . . . . . . . c18964_2m3i 1 . 7 . 1264 . 1 1 10 ALA H H 0.299 -3.535 0.367 . . . 1.0 . . . . . . . . . . . . A . 10 ALA H . . . . . . . . . c18964_2m3i 1 . 7 . 1265 . 1 1 10 ALA HA H 2.766 -4.135 1.749 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HA . . . . . . . . . c18964_2m3i 1 . 7 . 1266 . 1 1 10 ALA HB1 H 1.310 -5.671 -0.404 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB1 . . . . . . . . . c18964_2m3i 1 . 7 . 1267 . 1 1 10 ALA HB2 H 1.096 -5.894 1.333 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB2 . . . . . . . . . c18964_2m3i 1 . 7 . 1268 . 1 1 10 ALA HB3 H 2.644 -6.275 0.579 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB3 . . . . . . . . . c18964_2m3i 1 . 7 . 1269 . 1 1 10 ALA N N 1.120 -3.288 0.843 . . . 1.0 . . . . . . . . . . . . A . 10 ALA N . . . . . . . . . c18964_2m3i 1 . 7 . 1270 . 1 1 10 ALA O O 4.395 -4.149 -0.317 . . . 1.0 . . . . . . . . . . . . A . 10 ALA O . . . . . . . . . c18964_2m3i 1 . 7 . 1271 . 1 1 11 MET C C 4.422 -1.219 -1.724 . . . 1.0 . . . . . . . . . . . . A . 11 MET C . . . . . . . . . c18964_2m3i 1 . 7 . 1272 . 1 1 11 MET CA C 3.601 -2.358 -2.274 . . . 1.0 . . . . . . . . . . . . A . 11 MET CA . . . . . . . . . c18964_2m3i 1 . 7 . 1273 . 1 1 11 MET CB C 2.748 -1.897 -3.467 . . . 1.0 . . . . . . . . . . . . A . 11 MET CB . . . . . . . . . c18964_2m3i 1 . 7 . 1274 . 1 1 11 MET CE C 5.388 -1.658 -6.706 . . . 1.0 . . . . . . . . . . . . A . 11 MET CE . . . . . . . . . c18964_2m3i 1 . 7 . 1275 . 1 1 11 MET CG C 3.541 -1.358 -4.655 . . . 1.0 . . . . . . . . . . . . A . 11 MET CG . . . . . . . . . c18964_2m3i 1 . 7 . 1276 . 1 1 11 MET H H 1.829 -2.599 -1.152 . . . 1.0 . . . . . . . . . . . . A . 11 MET H . . . . . . . . . c18964_2m3i 1 . 7 . 1277 . 1 1 11 MET HA H 4.277 -3.135 -2.582 . . . 1.0 . . . . . . . . . . . . A . 11 MET HA . . . . . . . . . c18964_2m3i 1 . 7 . 1278 . 1 1 11 MET HB2 H 2.165 -2.738 -3.808 . . . 1.0 . . . . . . . . . . . . A . 11 MET HB2 . . . . . . . . . c18964_2m3i 1 . 7 . 1279 . 1 1 11 MET HB3 H 2.074 -1.124 -3.127 . . . 1.0 . . . . . . . . . . . . A . 11 MET HB3 . . . . . . . . . c18964_2m3i 1 . 7 . 1280 . 1 1 11 MET HE1 H 4.608 -1.369 -7.394 . . . 1.0 . . . . . . . . . . . . A . 11 MET HE1 . . . . . . . . . c18964_2m3i 1 . 7 . 1281 . 1 1 11 MET HE2 H 6.111 -2.275 -7.218 . . . 1.0 . . . . . . . . . . . . A . 11 MET HE2 . . . . . . . . . c18964_2m3i 1 . 7 . 1282 . 1 1 11 MET HE3 H 5.876 -0.774 -6.323 . . . 1.0 . . . . . . . . . . . . A . 11 MET HE3 . . . . . . . . . c18964_2m3i 1 . 7 . 1283 . 1 1 11 MET HG2 H 2.849 -1.054 -5.426 . . . 1.0 . . . . . . . . . . . . A . 11 MET HG2 . . . . . . . . . c18964_2m3i 1 . 7 . 1284 . 1 1 11 MET HG3 H 4.112 -0.501 -4.328 . . . 1.0 . . . . . . . . . . . . A . 11 MET HG3 . . . . . . . . . c18964_2m3i 1 . 7 . 1285 . 1 1 11 MET N N 2.764 -2.893 -1.203 . . . 1.0 . . . . . . . . . . . . A . 11 MET N . . . . . . . . . c18964_2m3i 1 . 7 . 1286 . 1 1 11 MET O O 5.573 -1.006 -2.097 . . . 1.0 . . . . . . . . . . . . A . 11 MET O . . . . . . . . . c18964_2m3i 1 . 7 . 1287 . 1 1 11 MET SD S 4.672 -2.581 -5.346 . . . 1.0 . . . . . . . . . . . . A . 11 MET SD . . . . . . . . . c18964_2m3i 1 . 7 . 1288 . 1 1 12 SER C C 4.245 0.416 1.340 . . . 1.0 . . . . . . . . . . . . A . 12 SER C . . . . . . . . . c18964_2m3i 1 . 7 . 1289 . 1 1 12 SER CA C 4.492 0.545 -0.153 . . . 1.0 . . . . . . . . . . . . A . 12 SER CA . . . . . . . . . c18964_2m3i 1 . 7 . 1290 . 1 1 12 SER CB C 4.015 1.900 -0.633 . . . 1.0 . . . . . . . . . . . . A . 12 SER CB . . . . . . . . . c18964_2m3i 1 . 7 . 1291 . 1 1 12 SER H H 2.887 -0.711 -0.665 . . . 1.0 . . . . . . . . . . . . A . 12 SER H . . . . . . . . . c18964_2m3i 1 . 7 . 1292 . 1 1 12 SER HA H 5.546 0.450 -0.360 . . . 1.0 . . . . . . . . . . . . A . 12 SER HA . . . . . . . . . c18964_2m3i 1 . 7 . 1293 . 1 1 12 SER HB2 H 3.968 1.888 -1.709 . . . 1.0 . . . . . . . . . . . . A . 12 SER HB2 . . . . . . . . . c18964_2m3i 1 . 7 . 1294 . 1 1 12 SER HB3 H 3.029 2.041 -0.219 . . . 1.0 . . . . . . . . . . . . A . 12 SER HB3 . . . . . . . . . c18964_2m3i 1 . 7 . 1295 . 1 1 12 SER HG H 4.917 3.632 -0.826 . . . 1.0 . . . . . . . . . . . . A . 12 SER HG . . . . . . . . . c18964_2m3i 1 . 7 . 1296 . 1 1 12 SER N N 3.825 -0.505 -0.838 . . . 1.0 . . . . . . . . . . . . A . 12 SER N . . . . . . . . . c18964_2m3i 1 . 7 . 1297 . 1 1 12 SER O O 3.264 0.948 1.860 . . . 1.0 . . . . . . . . . . . . A . 12 SER O . . . . . . . . . c18964_2m3i 1 . 7 . 1298 . 1 1 12 SER OG O 4.854 2.950 -0.145 . . . 1.0 . . . . . . . . . . . . A . 12 SER OG . . . . . . . . . c18964_2m3i 1 . 7 . 1299 . 1 1 13 PRO C C 5.589 0.711 4.232 . . . 1.0 . . . . . . . . . . . . A . 13 PRO C . . . . . . . . . c18964_2m3i 1 . 7 . 1300 . 1 1 13 PRO CA C 4.971 -0.477 3.498 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CA . . . . . . . . . c18964_2m3i 1 . 7 . 1301 . 1 1 13 PRO CB C 5.766 -1.752 3.782 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CB . . . . . . . . . c18964_2m3i 1 . 7 . 1302 . 1 1 13 PRO CD C 6.234 -1.108 1.518 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CD . . . . . . . . . c18964_2m3i 1 . 7 . 1303 . 1 1 13 PRO CG C 6.815 -1.787 2.728 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CG . . . . . . . . . c18964_2m3i 1 . 7 . 1304 . 1 1 13 PRO HA H 3.942 -0.603 3.803 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HA . . . . . . . . . c18964_2m3i 1 . 7 . 1305 . 1 1 13 PRO HB2 H 6.198 -1.698 4.769 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HB2 . . . . . . . . . c18964_2m3i 1 . 7 . 1306 . 1 1 13 PRO HB3 H 5.117 -2.611 3.714 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HB3 . . . . . . . . . c18964_2m3i 1 . 7 . 1307 . 1 1 13 PRO HD2 H 6.967 -0.451 1.080 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HD2 . . . . . . . . . c18964_2m3i 1 . 7 . 1308 . 1 1 13 PRO HD3 H 5.893 -1.837 0.796 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HD3 . . . . . . . . . c18964_2m3i 1 . 7 . 1309 . 1 1 13 PRO HG2 H 7.690 -1.251 3.068 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HG2 . . . . . . . . . c18964_2m3i 1 . 7 . 1310 . 1 1 13 PRO HG3 H 7.069 -2.811 2.498 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HG3 . . . . . . . . . c18964_2m3i 1 . 7 . 1311 . 1 1 13 PRO N N 5.096 -0.326 2.057 . . . 1.0 . . . . . . . . . . . . A . 13 PRO N . . . . . . . . . c18964_2m3i 1 . 7 . 1312 . 1 1 13 PRO O O 5.645 0.744 5.457 . . . 1.0 . . . . . . . . . . . . A . 13 PRO O . . . . . . . . . c18964_2m3i 1 . 7 . 1313 . 1 1 14 ILE C C 5.739 4.036 3.960 . . . 1.0 . . . . . . . . . . . . A . 14 ILE C . . . . . . . . . c18964_2m3i 1 . 7 . 1314 . 1 1 14 ILE CA C 6.689 2.836 4.048 . . . 1.0 . . . . . . . . . . . . A . 14 ILE CA . . . . . . . . . c18964_2m3i 1 . 7 . 1315 . 1 1 14 ILE CB C 8.066 3.129 3.349 . . . 1.0 . . . . . . . . . . . . A . 14 ILE CB . . . . . . . . . c18964_2m3i 1 . 7 . 1316 . 1 1 14 ILE CD1 C 9.291 1.265 4.645 . . . 1.0 . . . . . . . . . . . . A . 14 ILE CD1 . . . . . . . . . c18964_2m3i 1 . 7 . 1317 . 1 1 14 ILE CG1 C 8.930 1.852 3.289 . . . 1.0 . . . . . . . . . . . . A . 14 ILE CG1 . . . . . . . . . c18964_2m3i 1 . 7 . 1318 . 1 1 14 ILE CG2 C 8.847 4.240 4.061 . . . 1.0 . . . . . . . . . . . . A . 14 ILE CG2 . . . . . . . . . c18964_2m3i 1 . 7 . 1319 . 1 1 14 ILE H H 5.954 1.618 2.502 . . . 1.0 . . . . . . . . . . . . A . 14 ILE H . . . . . . . . . c18964_2m3i 1 . 7 . 1320 . 1 1 14 ILE HA H 6.855 2.576 5.077 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HA . . . . . . . . . c18964_2m3i 1 . 7 . 1321 . 1 1 14 ILE HB H 7.863 3.454 2.341 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HB . . . . . . . . . c18964_2m3i 1 . 7 . 1322 . 1 1 14 ILE HD11 H 8.387 1.017 5.181 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HD11 . . . . . . . . . c18964_2m3i 1 . 7 . 1323 . 1 1 14 ILE HD12 H 9.863 1.983 5.212 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HD12 . . . . . . . . . c18964_2m3i 1 . 7 . 1324 . 1 1 14 ILE HD13 H 9.875 0.368 4.501 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HD13 . . . . . . . . . c18964_2m3i 1 . 7 . 1325 . 1 1 14 ILE HG12 H 8.390 1.092 2.743 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HG12 . . . . . . . . . c18964_2m3i 1 . 7 . 1326 . 1 1 14 ILE HG13 H 9.843 2.080 2.763 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HG13 . . . . . . . . . c18964_2m3i 1 . 7 . 1327 . 1 1 14 ILE HG21 H 9.051 3.936 5.077 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HG21 . . . . . . . . . c18964_2m3i 1 . 7 . 1328 . 1 1 14 ILE HG22 H 8.257 5.144 4.070 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HG22 . . . . . . . . . c18964_2m3i 1 . 7 . 1329 . 1 1 14 ILE HG23 H 9.777 4.418 3.543 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HG23 . . . . . . . . . c18964_2m3i 1 . 7 . 1330 . 1 1 14 ILE N N 6.047 1.685 3.474 . . . 1.0 . . . . . . . . . . . . A . 14 ILE N . . . . . . . . . c18964_2m3i 1 . 7 . 1331 . 1 1 14 ILE O O 6.043 5.155 4.386 . . . 1.0 . . . . . . . . . . . . A . 14 ILE O . . . . . . . . . c18964_2m3i 1 . 7 . 1332 . 1 1 15 CYS C C 2.777 4.962 4.587 . . . 1.0 . . . . . . . . . . . . A . 15 CYS C . . . . . . . . . c18964_2m3i 1 . 7 . 1333 . 1 1 15 CYS CA C 3.599 4.837 3.301 . . . 1.0 . . . . . . . . . . . . A . 15 CYS CA . . . . . . . . . c18964_2m3i 1 . 7 . 1334 . 1 1 15 CYS CB C 2.698 4.643 2.076 . . . 1.0 . . . . . . . . . . . . A . 15 CYS CB . . . . . . . . . c18964_2m3i 1 . 7 . 1335 . 1 1 15 CYS H H 4.387 2.870 3.145 . . . 1.0 . . . . . . . . . . . . A . 15 CYS H . . . . . . . . . c18964_2m3i 1 . 7 . 1336 . 1 1 15 CYS HA H 4.156 5.755 3.185 . . . 1.0 . . . . . . . . . . . . A . 15 CYS HA . . . . . . . . . c18964_2m3i 1 . 7 . 1337 . 1 1 15 CYS HB2 H 3.314 4.505 1.200 . . . 1.0 . . . . . . . . . . . . A . 15 CYS HB2 . . . . . . . . . c18964_2m3i 1 . 7 . 1338 . 1 1 15 CYS HB3 H 2.078 3.767 2.209 . . . 1.0 . . . . . . . . . . . . A . 15 CYS HB3 . . . . . . . . . c18964_2m3i 1 . 7 . 1339 . 1 1 15 CYS N N 4.575 3.788 3.431 . . . 1.0 . . . . . . . . . . . . A . 15 CYS N . . . . . . . . . c18964_2m3i 1 . 7 . 1340 . 1 1 15 CYS O O 3.111 5.753 5.470 . . . 1.0 . . . . . . . . . . . . A . 15 CYS O . . . . . . . . . c18964_2m3i 1 . 7 . 1341 . 1 1 15 CYS SG S 1.600 6.068 1.784 . . . 1.0 . . . . . . . . . . . . A . 15 CYS SG . . . . . . . . . c18964_2m3i 1 . 7 . 1342 . 1 1 16 NH2 HN1 H 1.498 3.561 3.993 . . . 1.0 . . . . . . . . . . . . A . 16 NH2 HN1 . . . . . . . . . c18964_2m3i 1 . 7 . 1343 . 1 1 16 NH2 HN2 H 1.216 4.242 5.548 . . . 1.0 . . . . . . . . . . . . A . 16 NH2 HN2 . . . . . . . . . c18964_2m3i 1 . 7 . 1344 . 1 1 16 NH2 N N 1.731 4.178 4.718 . . . 1.0 . . . . . . . . . . . . A . 16 NH2 N . . . . . . . . . c18964_2m3i 1 . 8 . 1345 . 1 1 1 GLY C C -4.599 4.405 -2.735 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c18964_2m3i 1 . 8 . 1346 . 1 1 1 GLY CA C -5.332 5.570 -3.306 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c18964_2m3i 1 . 8 . 1347 . 1 1 1 GLY H1 H -7.065 4.532 -3.688 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c18964_2m3i 1 . 8 . 1348 . 1 1 1 GLY H2 H -7.327 6.197 -3.438 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H2 . . . . . . . . . c18964_2m3i 1 . 8 . 1349 . 1 1 1 GLY H3 H -6.951 5.161 -2.152 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H3 . . . . . . . . . c18964_2m3i 1 . 8 . 1350 . 1 1 1 GLY HA2 H -5.088 5.661 -4.354 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c18964_2m3i 1 . 8 . 1351 . 1 1 1 GLY HA3 H -5.038 6.470 -2.790 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c18964_2m3i 1 . 8 . 1352 . 1 1 1 GLY N N -6.766 5.373 -3.153 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c18964_2m3i 1 . 8 . 1353 . 1 1 1 GLY O O -5.028 3.848 -1.730 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c18964_2m3i 1 . 8 . 1354 . 1 1 2 CYS C C -2.105 3.036 -1.570 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . c18964_2m3i 1 . 8 . 1355 . 1 1 2 CYS CA C -2.725 2.907 -2.942 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . c18964_2m3i 1 . 8 . 1356 . 1 1 2 CYS CB C -1.670 2.605 -3.948 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . c18964_2m3i 1 . 8 . 1357 . 1 1 2 CYS H H -3.142 4.545 -4.108 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . c18964_2m3i 1 . 8 . 1358 . 1 1 2 CYS HA H -3.406 2.072 -2.939 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . c18964_2m3i 1 . 8 . 1359 . 1 1 2 CYS HB2 H -1.393 3.550 -4.387 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . c18964_2m3i 1 . 8 . 1360 . 1 1 2 CYS HB3 H -0.836 2.207 -3.400 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . c18964_2m3i 1 . 8 . 1361 . 1 1 2 CYS N N -3.497 4.039 -3.344 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . c18964_2m3i 1 . 8 . 1362 . 1 1 2 CYS O O -1.917 2.034 -0.882 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . c18964_2m3i 1 . 8 . 1363 . 1 1 2 CYS SG S -2.169 1.456 -5.286 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . c18964_2m3i 1 . 8 . 1364 . 1 1 3 CYS C C -2.249 4.187 1.260 . . . 1.0 . . . . . . . . . . . . A . 3 CYS C . . . . . . . . . c18964_2m3i 1 . 8 . 1365 . 1 1 3 CYS CA C -1.245 4.474 0.161 . . . 1.0 . . . . . . . . . . . . A . 3 CYS CA . . . . . . . . . c18964_2m3i 1 . 8 . 1366 . 1 1 3 CYS CB C -0.664 5.883 0.292 . . . 1.0 . . . . . . . . . . . . A . 3 CYS CB . . . . . . . . . c18964_2m3i 1 . 8 . 1367 . 1 1 3 CYS H H -1.941 5.025 -1.736 . . . 1.0 . . . . . . . . . . . . A . 3 CYS H . . . . . . . . . c18964_2m3i 1 . 8 . 1368 . 1 1 3 CYS HA H -0.439 3.763 0.257 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HA . . . . . . . . . c18964_2m3i 1 . 8 . 1369 . 1 1 3 CYS HB2 H -1.387 6.599 -0.067 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HB2 . . . . . . . . . c18964_2m3i 1 . 8 . 1370 . 1 1 3 CYS HB3 H -0.470 6.071 1.334 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HB3 . . . . . . . . . c18964_2m3i 1 . 8 . 1371 . 1 1 3 CYS N N -1.812 4.248 -1.152 . . . 1.0 . . . . . . . . . . . . A . 3 CYS N . . . . . . . . . c18964_2m3i 1 . 8 . 1372 . 1 1 3 CYS O O -1.900 4.064 2.428 . . . 1.0 . . . . . . . . . . . . A . 3 CYS O . . . . . . . . . c18964_2m3i 1 . 8 . 1373 . 1 1 3 CYS SG S 0.894 6.161 -0.643 . . . 1.0 . . . . . . . . . . . . A . 3 CYS SG . . . . . . . . . c18964_2m3i 1 . 8 . 1374 . 1 1 4 SER C C -5.295 2.530 1.253 . . . 1.0 . . . . . . . . . . . . A . 4 SER C . . . . . . . . . c18964_2m3i 1 . 8 . 1375 . 1 1 4 SER CA C -4.527 3.749 1.778 . . . 1.0 . . . . . . . . . . . . A . 4 SER CA . . . . . . . . . c18964_2m3i 1 . 8 . 1376 . 1 1 4 SER CB C -5.423 4.995 1.883 . . . 1.0 . . . . . . . . . . . . A . 4 SER CB . . . . . . . . . c18964_2m3i 1 . 8 . 1377 . 1 1 4 SER H H -3.648 4.108 -0.098 . . . 1.0 . . . . . . . . . . . . A . 4 SER H . . . . . . . . . c18964_2m3i 1 . 8 . 1378 . 1 1 4 SER HA H -4.103 3.526 2.745 . . . 1.0 . . . . . . . . . . . . A . 4 SER HA . . . . . . . . . c18964_2m3i 1 . 8 . 1379 . 1 1 4 SER HB2 H -4.807 5.851 2.117 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB2 . . . . . . . . . c18964_2m3i 1 . 8 . 1380 . 1 1 4 SER HB3 H -5.911 5.161 0.934 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB3 . . . . . . . . . c18964_2m3i 1 . 8 . 1381 . 1 1 4 SER HG H -6.990 4.142 2.616 . . . 1.0 . . . . . . . . . . . . A . 4 SER HG . . . . . . . . . c18964_2m3i 1 . 8 . 1382 . 1 1 4 SER N N -3.469 4.031 0.867 . . . 1.0 . . . . . . . . . . . . A . 4 SER N . . . . . . . . . c18964_2m3i 1 . 8 . 1383 . 1 1 4 SER O O -6.494 2.351 1.520 . . . 1.0 . . . . . . . . . . . . A . 4 SER O . . . . . . . . . c18964_2m3i 1 . 8 . 1384 . 1 1 4 SER OG O -6.410 4.863 2.898 . . . 1.0 . . . . . . . . . . . . A . 4 SER OG . . . . . . . . . c18964_2m3i 1 . 8 . 1385 . 1 1 5 HIS C C -4.313 -0.696 0.312 . . . 1.0 . . . . . . . . . . . . A . 5 HIS C . . . . . . . . . c18964_2m3i 1 . 8 . 1386 . 1 1 5 HIS CA C -5.166 0.496 -0.052 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CA . . . . . . . . . c18964_2m3i 1 . 8 . 1387 . 1 1 5 HIS CB C -5.215 0.673 -1.577 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CB . . . . . . . . . c18964_2m3i 1 . 8 . 1388 . 1 1 5 HIS CD2 C -7.052 -1.050 -2.169 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CD2 . . . . . . . . . c18964_2m3i 1 . 8 . 1389 . 1 1 5 HIS CE1 C -6.181 -1.913 -3.954 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CE1 . . . . . . . . . c18964_2m3i 1 . 8 . 1390 . 1 1 5 HIS CG C -5.867 -0.436 -2.353 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CG . . . . . . . . . c18964_2m3i 1 . 8 . 1391 . 1 1 5 HIS H H -3.603 1.777 0.474 . . . 1.0 . . . . . . . . . . . . A . 5 HIS H . . . . . . . . . c18964_2m3i 1 . 8 . 1392 . 1 1 5 HIS HA H -6.168 0.374 0.329 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HA . . . . . . . . . c18964_2m3i 1 . 8 . 1393 . 1 1 5 HIS HB2 H -5.722 1.593 -1.823 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB2 . . . . . . . . . c18964_2m3i 1 . 8 . 1394 . 1 1 5 HIS HB3 H -4.187 0.730 -1.901 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB3 . . . . . . . . . c18964_2m3i 1 . 8 . 1395 . 1 1 5 HIS HD1 H -4.470 -0.749 -3.915 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD1 . . . . . . . . . c18964_2m3i 1 . 8 . 1396 . 1 1 5 HIS HD2 H -7.741 -0.856 -1.360 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD2 . . . . . . . . . c18964_2m3i 1 . 8 . 1397 . 1 1 5 HIS HE1 H -6.024 -2.521 -4.834 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HE1 . . . . . . . . . c18964_2m3i 1 . 8 . 1398 . 1 1 5 HIS N N -4.580 1.664 0.555 . . . 1.0 . . . . . . . . . . . . A . 5 HIS N . . . . . . . . . c18964_2m3i 1 . 8 . 1399 . 1 1 5 HIS ND1 N -5.324 -0.996 -3.492 . . . 1.0 . . . . . . . . . . . . A . 5 HIS ND1 . . . . . . . . . c18964_2m3i 1 . 8 . 1400 . 1 1 5 HIS NE2 N -7.249 -1.981 -3.183 . . . 1.0 . . . . . . . . . . . . A . 5 HIS NE2 . . . . . . . . . c18964_2m3i 1 . 8 . 1401 . 1 1 5 HIS O O -3.190 -0.797 -0.161 . . . 1.0 . . . . . . . . . . . . A . 5 HIS O . . . . . . . . . c18964_2m3i 1 . 8 . 1402 . 1 1 6 PRO C C -3.260 -3.509 0.655 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . c18964_2m3i 1 . 8 . 1403 . 1 1 6 PRO CA C -4.136 -2.794 1.682 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . c18964_2m3i 1 . 8 . 1404 . 1 1 6 PRO CB C -5.280 -3.696 2.114 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . c18964_2m3i 1 . 8 . 1405 . 1 1 6 PRO CD C -6.220 -1.532 1.693 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . c18964_2m3i 1 . 8 . 1406 . 1 1 6 PRO CG C -6.332 -2.751 2.570 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . c18964_2m3i 1 . 8 . 1407 . 1 1 6 PRO HA H -3.539 -2.544 2.546 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . c18964_2m3i 1 . 8 . 1408 . 1 1 6 PRO HB2 H -5.609 -4.289 1.274 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB2 . . . . . . . . . c18964_2m3i 1 . 8 . 1409 . 1 1 6 PRO HB3 H -4.956 -4.343 2.917 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . c18964_2m3i 1 . 8 . 1410 . 1 1 6 PRO HD2 H -6.939 -1.564 0.888 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD2 . . . . . . . . . c18964_2m3i 1 . 8 . 1411 . 1 1 6 PRO HD3 H -6.352 -0.632 2.275 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . c18964_2m3i 1 . 8 . 1412 . 1 1 6 PRO HG2 H -7.305 -3.206 2.459 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG2 . . . . . . . . . c18964_2m3i 1 . 8 . 1413 . 1 1 6 PRO HG3 H -6.161 -2.486 3.603 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . c18964_2m3i 1 . 8 . 1414 . 1 1 6 PRO N N -4.846 -1.603 1.157 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . c18964_2m3i 1 . 8 . 1415 . 1 1 6 PRO O O -2.116 -3.837 0.941 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . c18964_2m3i 1 . 8 . 1416 . 1 1 7 VAL C C -1.762 -3.648 -1.989 . . . 1.0 . . . . . . . . . . . . A . 7 VAL C . . . . . . . . . c18964_2m3i 1 . 8 . 1417 . 1 1 7 VAL CA C -3.070 -4.389 -1.619 . . . 1.0 . . . . . . . . . . . . A . 7 VAL CA . . . . . . . . . c18964_2m3i 1 . 8 . 1418 . 1 1 7 VAL CB C -3.971 -4.553 -2.875 . . . 1.0 . . . . . . . . . . . . A . 7 VAL CB . . . . . . . . . c18964_2m3i 1 . 8 . 1419 . 1 1 7 VAL CG1 C -3.241 -5.277 -4.000 . . . 1.0 . . . . . . . . . . . . A . 7 VAL CG1 . . . . . . . . . c18964_2m3i 1 . 8 . 1420 . 1 1 7 VAL CG2 C -5.248 -5.295 -2.515 . . . 1.0 . . . . . . . . . . . . A . 7 VAL CG2 . . . . . . . . . c18964_2m3i 1 . 8 . 1421 . 1 1 7 VAL H H -4.697 -3.365 -0.708 . . . 1.0 . . . . . . . . . . . . A . 7 VAL H . . . . . . . . . c18964_2m3i 1 . 8 . 1422 . 1 1 7 VAL HA H -2.809 -5.370 -1.251 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HA . . . . . . . . . c18964_2m3i 1 . 8 . 1423 . 1 1 7 VAL HB H -4.243 -3.568 -3.227 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HB . . . . . . . . . c18964_2m3i 1 . 8 . 1424 . 1 1 7 VAL HG11 H -2.953 -6.260 -3.661 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG11 . . . . . . . . . c18964_2m3i 1 . 8 . 1425 . 1 1 7 VAL HG12 H -2.358 -4.718 -4.275 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG12 . . . . . . . . . c18964_2m3i 1 . 8 . 1426 . 1 1 7 VAL HG13 H -3.894 -5.367 -4.855 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG13 . . . . . . . . . c18964_2m3i 1 . 8 . 1427 . 1 1 7 VAL HG21 H -5.000 -6.272 -2.126 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG21 . . . . . . . . . c18964_2m3i 1 . 8 . 1428 . 1 1 7 VAL HG22 H -5.861 -5.406 -3.397 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG22 . . . . . . . . . c18964_2m3i 1 . 8 . 1429 . 1 1 7 VAL HG23 H -5.791 -4.737 -1.767 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG23 . . . . . . . . . c18964_2m3i 1 . 8 . 1430 . 1 1 7 VAL N N -3.789 -3.700 -0.547 . . . 1.0 . . . . . . . . . . . . A . 7 VAL N . . . . . . . . . c18964_2m3i 1 . 8 . 1431 . 1 1 7 VAL O O -0.713 -4.268 -2.182 . . . 1.0 . . . . . . . . . . . . A . 7 VAL O . . . . . . . . . c18964_2m3i 1 . 8 . 1432 . 1 1 8 CYS C C 0.205 -1.288 -1.157 . . . 1.0 . . . . . . . . . . . . A . 8 CYS C . . . . . . . . . c18964_2m3i 1 . 8 . 1433 . 1 1 8 CYS CA C -0.646 -1.559 -2.395 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CA . . . . . . . . . c18964_2m3i 1 . 8 . 1434 . 1 1 8 CYS CB C -1.054 -0.237 -3.018 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CB . . . . . . . . . c18964_2m3i 1 . 8 . 1435 . 1 1 8 CYS H H -2.640 -1.874 -1.773 . . . 1.0 . . . . . . . . . . . . A . 8 CYS H . . . . . . . . . c18964_2m3i 1 . 8 . 1436 . 1 1 8 CYS HA H -0.069 -2.129 -3.108 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HA . . . . . . . . . c18964_2m3i 1 . 8 . 1437 . 1 1 8 CYS HB2 H -1.445 0.406 -2.244 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB2 . . . . . . . . . c18964_2m3i 1 . 8 . 1438 . 1 1 8 CYS HB3 H -0.174 0.221 -3.445 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB3 . . . . . . . . . c18964_2m3i 1 . 8 . 1439 . 1 1 8 CYS N N -1.813 -2.339 -2.027 . . . 1.0 . . . . . . . . . . . . A . 8 CYS N . . . . . . . . . c18964_2m3i 1 . 8 . 1440 . 1 1 8 CYS O O 1.438 -1.321 -1.219 . . . 1.0 . . . . . . . . . . . . A . 8 CYS O . . . . . . . . . c18964_2m3i 1 . 8 . 1441 . 1 1 8 CYS SG S -2.325 -0.343 -4.335 . . . 1.0 . . . . . . . . . . . . A . 8 CYS SG . . . . . . . . . c18964_2m3i 1 . 8 . 1442 . 1 1 9 SER C C 1.006 -1.986 1.747 . . . 1.0 . . . . . . . . . . . . A . 9 SER C . . . . . . . . . c18964_2m3i 1 . 8 . 1443 . 1 1 9 SER CA C 0.190 -0.779 1.230 . . . 1.0 . . . . . . . . . . . . A . 9 SER CA . . . . . . . . . c18964_2m3i 1 . 8 . 1444 . 1 1 9 SER CB C -0.845 -0.332 2.258 . . . 1.0 . . . . . . . . . . . . A . 9 SER CB . . . . . . . . . c18964_2m3i 1 . 8 . 1445 . 1 1 9 SER H H -1.445 -1.026 -0.025 . . . 1.0 . . . . . . . . . . . . A . 9 SER H . . . . . . . . . c18964_2m3i 1 . 8 . 1446 . 1 1 9 SER HA H 0.836 0.060 1.027 . . . 1.0 . . . . . . . . . . . . A . 9 SER HA . . . . . . . . . c18964_2m3i 1 . 8 . 1447 . 1 1 9 SER HB2 H -1.573 -1.117 2.399 . . . 1.0 . . . . . . . . . . . . A . 9 SER HB2 . . . . . . . . . c18964_2m3i 1 . 8 . 1448 . 1 1 9 SER HB3 H -0.355 -0.117 3.195 . . . 1.0 . . . . . . . . . . . . A . 9 SER HB3 . . . . . . . . . c18964_2m3i 1 . 8 . 1449 . 1 1 9 SER HG H -0.843 1.389 1.367 . . . 1.0 . . . . . . . . . . . . A . 9 SER HG . . . . . . . . . c18964_2m3i 1 . 8 . 1450 . 1 1 9 SER N N -0.462 -1.055 -0.028 . . . 1.0 . . . . . . . . . . . . A . 9 SER N . . . . . . . . . c18964_2m3i 1 . 8 . 1451 . 1 1 9 SER O O 1.882 -1.838 2.594 . . . 1.0 . . . . . . . . . . . . A . 9 SER O . . . . . . . . . c18964_2m3i 1 . 8 . 1452 . 1 1 9 SER OG O -1.510 0.841 1.804 . . . 1.0 . . . . . . . . . . . . A . 9 SER OG . . . . . . . . . c18964_2m3i 1 . 8 . 1453 . 1 1 10 ALA C C 2.706 -4.426 0.744 . . . 1.0 . . . . . . . . . . . . A . 10 ALA C . . . . . . . . . c18964_2m3i 1 . 8 . 1454 . 1 1 10 ALA CA C 1.460 -4.356 1.610 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CA . . . . . . . . . c18964_2m3i 1 . 8 . 1455 . 1 1 10 ALA CB C 0.620 -5.607 1.438 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CB . . . . . . . . . c18964_2m3i 1 . 8 . 1456 . 1 1 10 ALA H H -0.100 -3.269 0.689 . . . 1.0 . . . . . . . . . . . . A . 10 ALA H . . . . . . . . . c18964_2m3i 1 . 8 . 1457 . 1 1 10 ALA HA H 1.774 -4.274 2.641 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HA . . . . . . . . . c18964_2m3i 1 . 8 . 1458 . 1 1 10 ALA HB1 H -0.274 -5.526 2.038 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB1 . . . . . . . . . c18964_2m3i 1 . 8 . 1459 . 1 1 10 ALA HB2 H 1.189 -6.468 1.753 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB2 . . . . . . . . . c18964_2m3i 1 . 8 . 1460 . 1 1 10 ALA HB3 H 0.346 -5.714 0.398 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB3 . . . . . . . . . c18964_2m3i 1 . 8 . 1461 . 1 1 10 ALA N N 0.691 -3.173 1.263 . . . 1.0 . . . . . . . . . . . . A . 10 ALA N . . . . . . . . . c18964_2m3i 1 . 8 . 1462 . 1 1 10 ALA O O 3.780 -4.818 1.208 . . . 1.0 . . . . . . . . . . . . A . 10 ALA O . . . . . . . . . c18964_2m3i 1 . 8 . 1463 . 1 1 11 MET C C 4.683 -2.966 -1.062 . . . 1.0 . . . . . . . . . . . . A . 11 MET C . . . . . . . . . c18964_2m3i 1 . 8 . 1464 . 1 1 11 MET CA C 3.637 -3.973 -1.485 . . . 1.0 . . . . . . . . . . . . A . 11 MET CA . . . . . . . . . c18964_2m3i 1 . 8 . 1465 . 1 1 11 MET CB C 3.094 -3.656 -2.891 . . . 1.0 . . . . . . . . . . . . A . 11 MET CB . . . . . . . . . c18964_2m3i 1 . 8 . 1466 . 1 1 11 MET CE C 6.284 -4.430 -5.464 . . . 1.0 . . . . . . . . . . . . A . 11 MET CE . . . . . . . . . c18964_2m3i 1 . 8 . 1467 . 1 1 11 MET CG C 4.163 -3.499 -3.967 . . . 1.0 . . . . . . . . . . . . A . 11 MET CG . . . . . . . . . c18964_2m3i 1 . 8 . 1468 . 1 1 11 MET H H 1.655 -3.715 -0.785 . . . 1.0 . . . . . . . . . . . . A . 11 MET H . . . . . . . . . c18964_2m3i 1 . 8 . 1469 . 1 1 11 MET HA H 4.103 -4.940 -1.492 . . . 1.0 . . . . . . . . . . . . A . 11 MET HA . . . . . . . . . c18964_2m3i 1 . 8 . 1470 . 1 1 11 MET HB2 H 2.432 -4.454 -3.192 . . . 1.0 . . . . . . . . . . . . A . 11 MET HB2 . . . . . . . . . c18964_2m3i 1 . 8 . 1471 . 1 1 11 MET HB3 H 2.528 -2.738 -2.839 . . . 1.0 . . . . . . . . . . . . A . 11 MET HB3 . . . . . . . . . c18964_2m3i 1 . 8 . 1472 . 1 1 11 MET HE1 H 5.700 -4.199 -6.341 . . . 1.0 . . . . . . . . . . . . A . 11 MET HE1 . . . . . . . . . c18964_2m3i 1 . 8 . 1473 . 1 1 11 MET HE2 H 6.993 -5.211 -5.692 . . . 1.0 . . . . . . . . . . . . A . 11 MET HE2 . . . . . . . . . c18964_2m3i 1 . 8 . 1474 . 1 1 11 MET HE3 H 6.810 -3.544 -5.141 . . . 1.0 . . . . . . . . . . . . A . 11 MET HE3 . . . . . . . . . c18964_2m3i 1 . 8 . 1475 . 1 1 11 MET HG2 H 3.681 -3.295 -4.911 . . . 1.0 . . . . . . . . . . . . A . 11 MET HG2 . . . . . . . . . c18964_2m3i 1 . 8 . 1476 . 1 1 11 MET HG3 H 4.797 -2.666 -3.702 . . . 1.0 . . . . . . . . . . . . A . 11 MET HG3 . . . . . . . . . c18964_2m3i 1 . 8 . 1477 . 1 1 11 MET N N 2.548 -4.008 -0.511 . . . 1.0 . . . . . . . . . . . . A . 11 MET N . . . . . . . . . c18964_2m3i 1 . 8 . 1478 . 1 1 11 MET O O 5.889 -3.207 -1.149 . . . 1.0 . . . . . . . . . . . . A . 11 MET O . . . . . . . . . c18964_2m3i 1 . 8 . 1479 . 1 1 11 MET SD S 5.189 -4.969 -4.156 . . . 1.0 . . . . . . . . . . . . A . 11 MET SD . . . . . . . . . c18964_2m3i 1 . 8 . 1480 . 1 1 12 SER C C 4.345 -0.233 1.101 . . . 1.0 . . . . . . . . . . . . A . 12 SER C . . . . . . . . . c18964_2m3i 1 . 8 . 1481 . 1 1 12 SER CA C 5.042 -0.842 -0.104 . . . 1.0 . . . . . . . . . . . . A . 12 SER CA . . . . . . . . . c18964_2m3i 1 . 8 . 1482 . 1 1 12 SER CB C 5.309 0.216 -1.152 . . . 1.0 . . . . . . . . . . . . A . 12 SER CB . . . . . . . . . c18964_2m3i 1 . 8 . 1483 . 1 1 12 SER H H 3.246 -1.731 -0.705 . . . 1.0 . . . . . . . . . . . . A . 12 SER H . . . . . . . . . c18964_2m3i 1 . 8 . 1484 . 1 1 12 SER HA H 5.977 -1.291 0.195 . . . 1.0 . . . . . . . . . . . . A . 12 SER HA . . . . . . . . . c18964_2m3i 1 . 8 . 1485 . 1 1 12 SER HB2 H 5.509 -0.293 -2.081 . . . 1.0 . . . . . . . . . . . . A . 12 SER HB2 . . . . . . . . . c18964_2m3i 1 . 8 . 1486 . 1 1 12 SER HB3 H 4.417 0.816 -1.253 . . . 1.0 . . . . . . . . . . . . A . 12 SER HB3 . . . . . . . . . c18964_2m3i 1 . 8 . 1487 . 1 1 12 SER HG H 7.158 0.494 -0.587 . . . 1.0 . . . . . . . . . . . . A . 12 SER HG . . . . . . . . . c18964_2m3i 1 . 8 . 1488 . 1 1 12 SER N N 4.215 -1.858 -0.633 . . . 1.0 . . . . . . . . . . . . A . 12 SER N . . . . . . . . . c18964_2m3i 1 . 8 . 1489 . 1 1 12 SER O O 3.383 0.522 0.955 . . . 1.0 . . . . . . . . . . . . A . 12 SER O . . . . . . . . . c18964_2m3i 1 . 8 . 1490 . 1 1 12 SER OG O 6.391 1.059 -0.765 . . . 1.0 . . . . . . . . . . . . A . 12 SER OG . . . . . . . . . c18964_2m3i 1 . 8 . 1491 . 1 1 13 PRO C C 4.540 1.426 3.751 . . . 1.0 . . . . . . . . . . . . A . 13 PRO C . . . . . . . . . c18964_2m3i 1 . 8 . 1492 . 1 1 13 PRO CA C 4.219 -0.042 3.548 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CA . . . . . . . . . c18964_2m3i 1 . 8 . 1493 . 1 1 13 PRO CB C 4.826 -0.888 4.664 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CB . . . . . . . . . c18964_2m3i 1 . 8 . 1494 . 1 1 13 PRO CD C 5.947 -1.444 2.571 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CD . . . . . . . . . c18964_2m3i 1 . 8 . 1495 . 1 1 13 PRO CG C 5.933 -1.682 4.053 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CG . . . . . . . . . c18964_2m3i 1 . 8 . 1496 . 1 1 13 PRO HA H 3.145 -0.163 3.530 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HA . . . . . . . . . c18964_2m3i 1 . 8 . 1497 . 1 1 13 PRO HB2 H 5.201 -0.232 5.435 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HB2 . . . . . . . . . c18964_2m3i 1 . 8 . 1498 . 1 1 13 PRO HB3 H 4.066 -1.530 5.081 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HB3 . . . . . . . . . c18964_2m3i 1 . 8 . 1499 . 1 1 13 PRO HD2 H 6.869 -0.965 2.275 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HD2 . . . . . . . . . c18964_2m3i 1 . 8 . 1500 . 1 1 13 PRO HD3 H 5.824 -2.378 2.043 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HD3 . . . . . . . . . c18964_2m3i 1 . 8 . 1501 . 1 1 13 PRO HG2 H 6.874 -1.342 4.458 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HG2 . . . . . . . . . c18964_2m3i 1 . 8 . 1502 . 1 1 13 PRO HG3 H 5.768 -2.729 4.259 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HG3 . . . . . . . . . c18964_2m3i 1 . 8 . 1503 . 1 1 13 PRO N N 4.814 -0.554 2.318 . . . 1.0 . . . . . . . . . . . . A . 13 PRO N . . . . . . . . . c18964_2m3i 1 . 8 . 1504 . 1 1 13 PRO O O 3.977 2.090 4.620 . . . 1.0 . . . . . . . . . . . . A . 13 PRO O . . . . . . . . . c18964_2m3i 1 . 8 . 1505 . 1 1 14 ILE C C 4.666 4.147 2.413 . . . 1.0 . . . . . . . . . . . . A . 14 ILE C . . . . . . . . . c18964_2m3i 1 . 8 . 1506 . 1 1 14 ILE CA C 5.832 3.328 2.935 . . . 1.0 . . . . . . . . . . . . A . 14 ILE CA . . . . . . . . . c18964_2m3i 1 . 8 . 1507 . 1 1 14 ILE CB C 7.105 3.582 2.081 . . . 1.0 . . . . . . . . . . . . A . 14 ILE CB . . . . . . . . . c18964_2m3i 1 . 8 . 1508 . 1 1 14 ILE CD1 C 9.543 2.866 1.820 . . . 1.0 . . . . . . . . . . . . A . 14 ILE CD1 . . . . . . . . . c18964_2m3i 1 . 8 . 1509 . 1 1 14 ILE CG1 C 8.258 2.718 2.599 . . . 1.0 . . . . . . . . . . . . A . 14 ILE CG1 . . . . . . . . . c18964_2m3i 1 . 8 . 1510 . 1 1 14 ILE CG2 C 7.498 5.066 2.088 . . . 1.0 . . . . . . . . . . . . A . 14 ILE CG2 . . . . . . . . . c18964_2m3i 1 . 8 . 1511 . 1 1 14 ILE H H 5.905 1.278 2.343 . . . 1.0 . . . . . . . . . . . . A . 14 ILE H . . . . . . . . . c18964_2m3i 1 . 8 . 1512 . 1 1 14 ILE HA H 6.012 3.595 3.956 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HA . . . . . . . . . c18964_2m3i 1 . 8 . 1513 . 1 1 14 ILE HB H 6.887 3.293 1.063 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HB . . . . . . . . . c18964_2m3i 1 . 8 . 1514 . 1 1 14 ILE HD11 H 10.294 2.219 2.247 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HD11 . . . . . . . . . c18964_2m3i 1 . 8 . 1515 . 1 1 14 ILE HD12 H 9.876 3.892 1.872 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HD12 . . . . . . . . . c18964_2m3i 1 . 8 . 1516 . 1 1 14 ILE HD13 H 9.374 2.593 0.789 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HD13 . . . . . . . . . c18964_2m3i 1 . 8 . 1517 . 1 1 14 ILE HG12 H 8.464 2.982 3.624 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HG12 . . . . . . . . . c18964_2m3i 1 . 8 . 1518 . 1 1 14 ILE HG13 H 7.960 1.680 2.558 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HG13 . . . . . . . . . c18964_2m3i 1 . 8 . 1519 . 1 1 14 ILE HG21 H 7.721 5.375 3.098 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HG21 . . . . . . . . . c18964_2m3i 1 . 8 . 1520 . 1 1 14 ILE HG22 H 6.679 5.657 1.706 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HG22 . . . . . . . . . c18964_2m3i 1 . 8 . 1521 . 1 1 14 ILE HG23 H 8.369 5.210 1.465 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HG23 . . . . . . . . . c18964_2m3i 1 . 8 . 1522 . 1 1 14 ILE N N 5.461 1.919 2.938 . . . 1.0 . . . . . . . . . . . . A . 14 ILE N . . . . . . . . . c18964_2m3i 1 . 8 . 1523 . 1 1 14 ILE O O 4.430 5.288 2.807 . . . 1.0 . . . . . . . . . . . . A . 14 ILE O . . . . . . . . . c18964_2m3i 1 . 8 . 1524 . 1 1 15 CYS C C 1.550 3.622 1.790 . . . 1.0 . . . . . . . . . . . . A . 15 CYS C . . . . . . . . . c18964_2m3i 1 . 8 . 1525 . 1 1 15 CYS CA C 2.764 4.081 0.985 . . . 1.0 . . . . . . . . . . . . A . 15 CYS CA . . . . . . . . . c18964_2m3i 1 . 8 . 1526 . 1 1 15 CYS CB C 2.675 3.624 -0.488 . . . 1.0 . . . . . . . . . . . . A . 15 CYS CB . . . . . . . . . c18964_2m3i 1 . 8 . 1527 . 1 1 15 CYS H H 4.194 2.591 1.433 . . . 1.0 . . . . . . . . . . . . A . 15 CYS H . . . . . . . . . c18964_2m3i 1 . 8 . 1528 . 1 1 15 CYS HA H 2.839 5.157 1.029 . . . 1.0 . . . . . . . . . . . . A . 15 CYS HA . . . . . . . . . c18964_2m3i 1 . 8 . 1529 . 1 1 15 CYS HB2 H 3.605 3.862 -0.983 . . . 1.0 . . . . . . . . . . . . A . 15 CYS HB2 . . . . . . . . . c18964_2m3i 1 . 8 . 1530 . 1 1 15 CYS HB3 H 2.547 2.552 -0.503 . . . 1.0 . . . . . . . . . . . . A . 15 CYS HB3 . . . . . . . . . c18964_2m3i 1 . 8 . 1531 . 1 1 15 CYS N N 3.928 3.518 1.591 . . . 1.0 . . . . . . . . . . . . A . 15 CYS N . . . . . . . . . c18964_2m3i 1 . 8 . 1532 . 1 1 15 CYS O O 0.967 2.563 1.525 . . . 1.0 . . . . . . . . . . . . A . 15 CYS O . . . . . . . . . c18964_2m3i 1 . 8 . 1533 . 1 1 15 CYS SG S 1.328 4.363 -1.503 . . . 1.0 . . . . . . . . . . . . A . 15 CYS SG . . . . . . . . . c18964_2m3i 1 . 8 . 1534 . 1 1 16 NH2 HN1 H 1.696 5.222 2.941 . . . 1.0 . . . . . . . . . . . . A . 16 NH2 HN1 . . . . . . . . . c18964_2m3i 1 . 8 . 1535 . 1 1 16 NH2 HN2 H 0.419 4.131 3.339 . . . 1.0 . . . . . . . . . . . . A . 16 NH2 HN2 . . . . . . . . . c18964_2m3i 1 . 8 . 1536 . 1 1 16 NH2 N N 1.186 4.398 2.790 . . . 1.0 . . . . . . . . . . . . A . 16 NH2 N . . . . . . . . . c18964_2m3i 1 . 9 . 1537 . 1 1 1 GLY C C -4.098 4.084 -3.223 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c18964_2m3i 1 . 9 . 1538 . 1 1 1 GLY CA C -4.690 5.253 -3.952 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c18964_2m3i 1 . 9 . 1539 . 1 1 1 GLY H1 H -6.639 4.846 -3.411 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c18964_2m3i 1 . 9 . 1540 . 1 1 1 GLY H2 H -6.145 4.118 -4.835 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H2 . . . . . . . . . c18964_2m3i 1 . 9 . 1541 . 1 1 1 GLY H3 H -6.496 5.777 -4.825 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H3 . . . . . . . . . c18964_2m3i 1 . 9 . 1542 . 1 1 1 GLY HA2 H -4.134 5.408 -4.863 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c18964_2m3i 1 . 9 . 1543 . 1 1 1 GLY HA3 H -4.624 6.141 -3.342 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c18964_2m3i 1 . 9 . 1544 . 1 1 1 GLY N N -6.087 4.994 -4.279 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c18964_2m3i 1 . 9 . 1545 . 1 1 1 GLY O O -4.801 3.406 -2.478 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c18964_2m3i 1 . 9 . 1546 . 1 1 2 CYS C C -2.027 2.807 -1.337 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . c18964_2m3i 1 . 9 . 1547 . 1 1 2 CYS CA C -2.118 2.746 -2.838 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . c18964_2m3i 1 . 9 . 1548 . 1 1 2 CYS CB C -0.740 2.668 -3.403 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . c18964_2m3i 1 . 9 . 1549 . 1 1 2 CYS H H -2.271 4.447 -3.980 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . c18964_2m3i 1 . 9 . 1550 . 1 1 2 CYS HA H -2.634 1.846 -3.129 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . c18964_2m3i 1 . 9 . 1551 . 1 1 2 CYS HB2 H -0.389 3.682 -3.520 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . c18964_2m3i 1 . 9 . 1552 . 1 1 2 CYS HB3 H -0.137 2.166 -2.671 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . c18964_2m3i 1 . 9 . 1553 . 1 1 2 CYS N N -2.818 3.852 -3.420 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . c18964_2m3i 1 . 9 . 1554 . 1 1 2 CYS O O -2.207 1.797 -0.667 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . c18964_2m3i 1 . 9 . 1555 . 1 1 2 CYS SG S -0.608 1.813 -4.991 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . c18964_2m3i 1 . 9 . 1556 . 1 1 3 CYS C C -2.927 3.938 1.363 . . . 1.0 . . . . . . . . . . . . A . 3 CYS C . . . . . . . . . c18964_2m3i 1 . 9 . 1557 . 1 1 3 CYS CA C -1.615 4.154 0.619 . . . 1.0 . . . . . . . . . . . . A . 3 CYS CA . . . . . . . . . c18964_2m3i 1 . 9 . 1558 . 1 1 3 CYS CB C -1.062 5.534 0.894 . . . 1.0 . . . . . . . . . . . . A . 3 CYS CB . . . . . . . . . c18964_2m3i 1 . 9 . 1559 . 1 1 3 CYS H H -1.737 4.782 -1.372 . . . 1.0 . . . . . . . . . . . . A . 3 CYS H . . . . . . . . . c18964_2m3i 1 . 9 . 1560 . 1 1 3 CYS HA H -0.893 3.420 0.936 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HA . . . . . . . . . c18964_2m3i 1 . 9 . 1561 . 1 1 3 CYS HB2 H -1.794 6.266 0.587 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HB2 . . . . . . . . . c18964_2m3i 1 . 9 . 1562 . 1 1 3 CYS HB3 H -0.883 5.624 1.952 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HB3 . . . . . . . . . c18964_2m3i 1 . 9 . 1563 . 1 1 3 CYS N N -1.794 3.982 -0.808 . . . 1.0 . . . . . . . . . . . . A . 3 CYS N . . . . . . . . . c18964_2m3i 1 . 9 . 1564 . 1 1 3 CYS O O -2.956 3.754 2.575 . . . 1.0 . . . . . . . . . . . . A . 3 CYS O . . . . . . . . . c18964_2m3i 1 . 9 . 1565 . 1 1 3 CYS SG S 0.490 5.892 0.002 . . . 1.0 . . . . . . . . . . . . A . 3 CYS SG . . . . . . . . . c18964_2m3i 1 . 9 . 1566 . 1 1 4 SER C C -5.850 2.355 0.695 . . . 1.0 . . . . . . . . . . . . A . 4 SER C . . . . . . . . . c18964_2m3i 1 . 9 . 1567 . 1 1 4 SER CA C -5.316 3.719 1.146 . . . 1.0 . . . . . . . . . . . . A . 4 SER CA . . . . . . . . . c18964_2m3i 1 . 9 . 1568 . 1 1 4 SER CB C -6.245 4.823 0.656 . . . 1.0 . . . . . . . . . . . . A . 4 SER CB . . . . . . . . . c18964_2m3i 1 . 9 . 1569 . 1 1 4 SER H H -3.852 4.125 -0.339 . . . 1.0 . . . . . . . . . . . . A . 4 SER H . . . . . . . . . c18964_2m3i 1 . 9 . 1570 . 1 1 4 SER HA H -5.269 3.755 2.224 . . . 1.0 . . . . . . . . . . . . A . 4 SER HA . . . . . . . . . c18964_2m3i 1 . 9 . 1571 . 1 1 4 SER HB2 H -6.361 4.741 -0.414 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB2 . . . . . . . . . c18964_2m3i 1 . 9 . 1572 . 1 1 4 SER HB3 H -7.208 4.722 1.133 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB3 . . . . . . . . . c18964_2m3i 1 . 9 . 1573 . 1 1 4 SER HG H -5.865 6.264 1.905 . . . 1.0 . . . . . . . . . . . . A . 4 SER HG . . . . . . . . . c18964_2m3i 1 . 9 . 1574 . 1 1 4 SER N N -3.993 3.941 0.617 . . . 1.0 . . . . . . . . . . . . A . 4 SER N . . . . . . . . . c18964_2m3i 1 . 9 . 1575 . 1 1 4 SER O O -7.008 2.032 0.917 . . . 1.0 . . . . . . . . . . . . A . 4 SER O . . . . . . . . . c18964_2m3i 1 . 9 . 1576 . 1 1 4 SER OG O -5.709 6.108 0.963 . . . 1.0 . . . . . . . . . . . . A . 4 SER OG . . . . . . . . . c18964_2m3i 1 . 9 . 1577 . 1 1 5 HIS C C -4.546 -0.823 0.108 . . . 1.0 . . . . . . . . . . . . A . 5 HIS C . . . . . . . . . c18964_2m3i 1 . 9 . 1578 . 1 1 5 HIS CA C -5.453 0.271 -0.420 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CA . . . . . . . . . c18964_2m3i 1 . 9 . 1579 . 1 1 5 HIS CB C -5.496 0.276 -1.963 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CB . . . . . . . . . c18964_2m3i 1 . 9 . 1580 . 1 1 5 HIS CD2 C -7.091 -1.754 -2.248 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CD2 . . . . . . . . . c18964_2m3i 1 . 9 . 1581 . 1 1 5 HIS CE1 C -6.188 -2.678 -3.987 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CE1 . . . . . . . . . c18964_2m3i 1 . 9 . 1582 . 1 1 5 HIS CG C -6.021 -0.991 -2.586 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CG . . . . . . . . . c18964_2m3i 1 . 9 . 1583 . 1 1 5 HIS H H -4.061 1.792 -0.025 . . . 1.0 . . . . . . . . . . . . A . 5 HIS H . . . . . . . . . c18964_2m3i 1 . 9 . 1584 . 1 1 5 HIS HA H -6.451 0.109 -0.042 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HA . . . . . . . . . c18964_2m3i 1 . 9 . 1585 . 1 1 5 HIS HB2 H -6.136 1.085 -2.281 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB2 . . . . . . . . . c18964_2m3i 1 . 9 . 1586 . 1 1 5 HIS HB3 H -4.498 0.447 -2.336 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB3 . . . . . . . . . c18964_2m3i 1 . 9 . 1587 . 1 1 5 HIS HD1 H -4.700 -1.264 -4.219 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD1 . . . . . . . . . c18964_2m3i 1 . 9 . 1588 . 1 1 5 HIS HD2 H -7.771 -1.560 -1.431 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD2 . . . . . . . . . c18964_2m3i 1 . 9 . 1589 . 1 1 5 HIS HE1 H -5.982 -3.349 -4.810 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HE1 . . . . . . . . . c18964_2m3i 1 . 9 . 1590 . 1 1 5 HIS N N -5.011 1.551 0.080 . . . 1.0 . . . . . . . . . . . . A . 5 HIS N . . . . . . . . . c18964_2m3i 1 . 9 . 1591 . 1 1 5 HIS ND1 N -5.463 -1.592 -3.693 . . . 1.0 . . . . . . . . . . . . A . 5 HIS ND1 . . . . . . . . . c18964_2m3i 1 . 9 . 1592 . 1 1 5 HIS NE2 N -7.191 -2.823 -3.133 . . . 1.0 . . . . . . . . . . . . A . 5 HIS NE2 . . . . . . . . . c18964_2m3i 1 . 9 . 1593 . 1 1 5 HIS O O -3.405 -0.923 -0.324 . . . 1.0 . . . . . . . . . . . . A . 5 HIS O . . . . . . . . . c18964_2m3i 1 . 9 . 1594 . 1 1 6 PRO C C -3.342 -3.536 0.861 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . c18964_2m3i 1 . 9 . 1595 . 1 1 6 PRO CA C -4.323 -2.740 1.737 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . c18964_2m3i 1 . 9 . 1596 . 1 1 6 PRO CB C -5.437 -3.644 2.243 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . c18964_2m3i 1 . 9 . 1597 . 1 1 6 PRO CD C -6.475 -1.608 1.519 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . c18964_2m3i 1 . 9 . 1598 . 1 1 6 PRO CG C -6.545 -2.702 2.558 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . c18964_2m3i 1 . 9 . 1599 . 1 1 6 PRO HA H -3.784 -2.344 2.587 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . c18964_2m3i 1 . 9 . 1600 . 1 1 6 PRO HB2 H -5.713 -4.343 1.469 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB2 . . . . . . . . . c18964_2m3i 1 . 9 . 1601 . 1 1 6 PRO HB3 H -5.110 -4.177 3.124 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . c18964_2m3i 1 . 9 . 1602 . 1 1 6 PRO HD2 H -7.161 -1.809 0.710 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD2 . . . . . . . . . c18964_2m3i 1 . 9 . 1603 . 1 1 6 PRO HD3 H -6.689 -0.649 1.964 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . c18964_2m3i 1 . 9 . 1604 . 1 1 6 PRO HG2 H -7.493 -3.216 2.501 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG2 . . . . . . . . . c18964_2m3i 1 . 9 . 1605 . 1 1 6 PRO HG3 H -6.403 -2.287 3.545 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . c18964_2m3i 1 . 9 . 1606 . 1 1 6 PRO N N -5.071 -1.661 1.039 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . c18964_2m3i 1 . 9 . 1607 . 1 1 6 PRO O O -2.243 -3.869 1.296 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . c18964_2m3i 1 . 9 . 1608 . 1 1 7 VAL C C -1.619 -3.812 -1.669 . . . 1.0 . . . . . . . . . . . . A . 7 VAL C . . . . . . . . . c18964_2m3i 1 . 9 . 1609 . 1 1 7 VAL CA C -2.885 -4.596 -1.269 . . . 1.0 . . . . . . . . . . . . A . 7 VAL CA . . . . . . . . . c18964_2m3i 1 . 9 . 1610 . 1 1 7 VAL CB C -3.659 -5.024 -2.548 . . . 1.0 . . . . . . . . . . . . A . 7 VAL CB . . . . . . . . . c18964_2m3i 1 . 9 . 1611 . 1 1 7 VAL CG1 C -2.799 -5.913 -3.438 . . . 1.0 . . . . . . . . . . . . A . 7 VAL CG1 . . . . . . . . . c18964_2m3i 1 . 9 . 1612 . 1 1 7 VAL CG2 C -4.951 -5.734 -2.181 . . . 1.0 . . . . . . . . . . . . A . 7 VAL CG2 . . . . . . . . . c18964_2m3i 1 . 9 . 1613 . 1 1 7 VAL H H -4.599 -3.482 -0.669 . . . 1.0 . . . . . . . . . . . . A . 7 VAL H . . . . . . . . . c18964_2m3i 1 . 9 . 1614 . 1 1 7 VAL HA H -2.582 -5.485 -0.736 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HA . . . . . . . . . c18964_2m3i 1 . 9 . 1615 . 1 1 7 VAL HB H -3.906 -4.131 -3.103 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HB . . . . . . . . . c18964_2m3i 1 . 9 . 1616 . 1 1 7 VAL HG11 H -2.519 -6.804 -2.895 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG11 . . . . . . . . . c18964_2m3i 1 . 9 . 1617 . 1 1 7 VAL HG12 H -1.908 -5.376 -3.725 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG12 . . . . . . . . . c18964_2m3i 1 . 9 . 1618 . 1 1 7 VAL HG13 H -3.355 -6.189 -4.322 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG13 . . . . . . . . . c18964_2m3i 1 . 9 . 1619 . 1 1 7 VAL HG21 H -5.471 -6.025 -3.082 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG21 . . . . . . . . . c18964_2m3i 1 . 9 . 1620 . 1 1 7 VAL HG22 H -5.576 -5.071 -1.602 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG22 . . . . . . . . . c18964_2m3i 1 . 9 . 1621 . 1 1 7 VAL HG23 H -4.723 -6.614 -1.599 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG23 . . . . . . . . . c18964_2m3i 1 . 9 . 1622 . 1 1 7 VAL N N -3.727 -3.815 -0.369 . . . 1.0 . . . . . . . . . . . . A . 7 VAL N . . . . . . . . . c18964_2m3i 1 . 9 . 1623 . 1 1 7 VAL O O -0.519 -4.368 -1.734 . . . 1.0 . . . . . . . . . . . . A . 7 VAL O . . . . . . . . . c18964_2m3i 1 . 9 . 1624 . 1 1 8 CYS C C 0.044 -1.029 -1.176 . . . 1.0 . . . . . . . . . . . . A . 8 CYS C . . . . . . . . . c18964_2m3i 1 . 9 . 1625 . 1 1 8 CYS CA C -0.667 -1.722 -2.347 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CA . . . . . . . . . c18964_2m3i 1 . 9 . 1626 . 1 1 8 CYS CB C -1.161 -0.715 -3.379 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CB . . . . . . . . . c18964_2m3i 1 . 9 . 1627 . 1 1 8 CYS H H -2.622 -2.097 -1.655 . . . 1.0 . . . . . . . . . . . . A . 8 CYS H . . . . . . . . . c18964_2m3i 1 . 9 . 1628 . 1 1 8 CYS HA H 0.032 -2.395 -2.820 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HA . . . . . . . . . c18964_2m3i 1 . 9 . 1629 . 1 1 8 CYS HB2 H -1.883 -1.199 -4.016 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB2 . . . . . . . . . c18964_2m3i 1 . 9 . 1630 . 1 1 8 CYS HB3 H -1.639 0.095 -2.847 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB3 . . . . . . . . . c18964_2m3i 1 . 9 . 1631 . 1 1 8 CYS N N -1.764 -2.526 -1.867 . . . 1.0 . . . . . . . . . . . . A . 8 CYS N . . . . . . . . . c18964_2m3i 1 . 9 . 1632 . 1 1 8 CYS O O 1.232 -0.682 -1.271 . . . 1.0 . . . . . . . . . . . . A . 8 CYS O . . . . . . . . . c18964_2m3i 1 . 9 . 1633 . 1 1 8 CYS SG S 0.143 0.005 -4.448 . . . 1.0 . . . . . . . . . . . . A . 8 CYS SG . . . . . . . . . c18964_2m3i 1 . 9 . 1634 . 1 1 9 SER C C 0.926 -1.287 1.733 . . . 1.0 . . . . . . . . . . . . A . 9 SER C . . . . . . . . . c18964_2m3i 1 . 9 . 1635 . 1 1 9 SER CA C -0.057 -0.287 1.115 . . . 1.0 . . . . . . . . . . . . A . 9 SER CA . . . . . . . . . c18964_2m3i 1 . 9 . 1636 . 1 1 9 SER CB C -1.131 0.139 2.115 . . . 1.0 . . . . . . . . . . . . A . 9 SER CB . . . . . . . . . c18964_2m3i 1 . 9 . 1637 . 1 1 9 SER H H -1.615 -1.058 -0.008 . . . 1.0 . . . . . . . . . . . . A . 9 SER H . . . . . . . . . c18964_2m3i 1 . 9 . 1638 . 1 1 9 SER HA H 0.469 0.588 0.773 . . . 1.0 . . . . . . . . . . . . A . 9 SER HA . . . . . . . . . c18964_2m3i 1 . 9 . 1639 . 1 1 9 SER HB2 H -0.660 0.488 3.022 . . . 1.0 . . . . . . . . . . . . A . 9 SER HB2 . . . . . . . . . c18964_2m3i 1 . 9 . 1640 . 1 1 9 SER HB3 H -1.724 0.934 1.688 . . . 1.0 . . . . . . . . . . . . A . 9 SER HB3 . . . . . . . . . c18964_2m3i 1 . 9 . 1641 . 1 1 9 SER HG H -1.861 -1.144 3.364 . . . 1.0 . . . . . . . . . . . . A . 9 SER HG . . . . . . . . . c18964_2m3i 1 . 9 . 1642 . 1 1 9 SER N N -0.656 -0.854 -0.062 . . . 1.0 . . . . . . . . . . . . A . 9 SER N . . . . . . . . . c18964_2m3i 1 . 9 . 1643 . 1 1 9 SER O O 1.894 -0.911 2.380 . . . 1.0 . . . . . . . . . . . . A . 9 SER O . . . . . . . . . c18964_2m3i 1 . 9 . 1644 . 1 1 9 SER OG O -1.978 -0.943 2.427 . . . 1.0 . . . . . . . . . . . . A . 9 SER OG . . . . . . . . . c18964_2m3i 1 . 9 . 1645 . 1 1 10 ALA C C 2.574 -3.917 0.862 . . . 1.0 . . . . . . . . . . . . A . 10 ALA C . . . . . . . . . c18964_2m3i 1 . 9 . 1646 . 1 1 10 ALA CA C 1.562 -3.616 1.960 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CA . . . . . . . . . c18964_2m3i 1 . 9 . 1647 . 1 1 10 ALA CB C 0.790 -4.870 2.337 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CB . . . . . . . . . c18964_2m3i 1 . 9 . 1648 . 1 1 10 ALA H H -0.193 -2.815 1.101 . . . 1.0 . . . . . . . . . . . . A . 10 ALA H . . . . . . . . . c18964_2m3i 1 . 9 . 1649 . 1 1 10 ALA HA H 2.109 -3.264 2.824 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HA . . . . . . . . . c18964_2m3i 1 . 9 . 1650 . 1 1 10 ALA HB1 H 0.266 -5.245 1.472 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB1 . . . . . . . . . c18964_2m3i 1 . 9 . 1651 . 1 1 10 ALA HB2 H 0.077 -4.633 3.114 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB2 . . . . . . . . . c18964_2m3i 1 . 9 . 1652 . 1 1 10 ALA HB3 H 1.477 -5.621 2.697 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB3 . . . . . . . . . c18964_2m3i 1 . 9 . 1653 . 1 1 10 ALA N N 0.659 -2.569 1.523 . . . 1.0 . . . . . . . . . . . . A . 10 ALA N . . . . . . . . . c18964_2m3i 1 . 9 . 1654 . 1 1 10 ALA O O 3.582 -4.580 1.097 . . . 1.0 . . . . . . . . . . . . A . 10 ALA O . . . . . . . . . c18964_2m3i 1 . 9 . 1655 . 1 1 11 MET C C 4.374 -2.671 -1.258 . . . 1.0 . . . . . . . . . . . . A . 11 MET C . . . . . . . . . c18964_2m3i 1 . 9 . 1656 . 1 1 11 MET CA C 3.211 -3.598 -1.470 . . . 1.0 . . . . . . . . . . . . A . 11 MET CA . . . . . . . . . c18964_2m3i 1 . 9 . 1657 . 1 1 11 MET CB C 2.519 -3.309 -2.808 . . . 1.0 . . . . . . . . . . . . A . 11 MET CB . . . . . . . . . c18964_2m3i 1 . 9 . 1658 . 1 1 11 MET CE C 3.813 -3.543 -6.767 . . . 1.0 . . . . . . . . . . . . A . 11 MET CE . . . . . . . . . c18964_2m3i 1 . 9 . 1659 . 1 1 11 MET CG C 3.399 -3.517 -4.031 . . . 1.0 . . . . . . . . . . . . A . 11 MET CG . . . . . . . . . c18964_2m3i 1 . 9 . 1660 . 1 1 11 MET H H 1.446 -2.958 -0.463 . . . 1.0 . . . . . . . . . . . . A . 11 MET H . . . . . . . . . c18964_2m3i 1 . 9 . 1661 . 1 1 11 MET HA H 3.586 -4.604 -1.453 . . . 1.0 . . . . . . . . . . . . A . 11 MET HA . . . . . . . . . c18964_2m3i 1 . 9 . 1662 . 1 1 11 MET HB2 H 1.659 -3.956 -2.901 . . . 1.0 . . . . . . . . . . . . A . 11 MET HB2 . . . . . . . . . c18964_2m3i 1 . 9 . 1663 . 1 1 11 MET HB3 H 2.187 -2.282 -2.803 . . . 1.0 . . . . . . . . . . . . A . 11 MET HB3 . . . . . . . . . c18964_2m3i 1 . 9 . 1664 . 1 1 11 MET HE1 H 4.686 -2.930 -6.591 . . . 1.0 . . . . . . . . . . . . A . 11 MET HE1 . . . . . . . . . c18964_2m3i 1 . 9 . 1665 . 1 1 11 MET HE2 H 3.441 -3.362 -7.764 . . . 1.0 . . . . . . . . . . . . A . 11 MET HE2 . . . . . . . . . c18964_2m3i 1 . 9 . 1666 . 1 1 11 MET HE3 H 4.078 -4.584 -6.666 . . . 1.0 . . . . . . . . . . . . A . 11 MET HE3 . . . . . . . . . c18964_2m3i 1 . 9 . 1667 . 1 1 11 MET HG2 H 4.264 -2.877 -3.945 . . . 1.0 . . . . . . . . . . . . A . 11 MET HG2 . . . . . . . . . c18964_2m3i 1 . 9 . 1668 . 1 1 11 MET HG3 H 3.719 -4.549 -4.060 . . . 1.0 . . . . . . . . . . . . A . 11 MET HG3 . . . . . . . . . c18964_2m3i 1 . 9 . 1669 . 1 1 11 MET N N 2.291 -3.436 -0.345 . . . 1.0 . . . . . . . . . . . . A . 11 MET N . . . . . . . . . c18964_2m3i 1 . 9 . 1670 . 1 1 11 MET O O 5.533 -3.045 -1.387 . . . 1.0 . . . . . . . . . . . . A . 11 MET O . . . . . . . . . c18964_2m3i 1 . 9 . 1671 . 1 1 11 MET SD S 2.539 -3.131 -5.571 . . . 1.0 . . . . . . . . . . . . A . 11 MET SD . . . . . . . . . c18964_2m3i 1 . 9 . 1672 . 1 1 12 SER C C 4.656 -0.085 0.888 . . . 1.0 . . . . . . . . . . . . A . 12 SER C . . . . . . . . . c18964_2m3i 1 . 9 . 1673 . 1 1 12 SER CA C 5.007 -0.508 -0.529 . . . 1.0 . . . . . . . . . . . . A . 12 SER CA . . . . . . . . . c18964_2m3i 1 . 9 . 1674 . 1 1 12 SER CB C 5.016 0.702 -1.466 . . . 1.0 . . . . . . . . . . . . A . 12 SER CB . . . . . . . . . c18964_2m3i 1 . 9 . 1675 . 1 1 12 SER H H 3.091 -1.266 -0.956 . . . 1.0 . . . . . . . . . . . . A . 12 SER H . . . . . . . . . c18964_2m3i 1 . 9 . 1676 . 1 1 12 SER HA H 5.974 -0.986 -0.539 . . . 1.0 . . . . . . . . . . . . A . 12 SER HA . . . . . . . . . c18964_2m3i 1 . 9 . 1677 . 1 1 12 SER HB2 H 5.045 0.348 -2.483 . . . 1.0 . . . . . . . . . . . . A . 12 SER HB2 . . . . . . . . . c18964_2m3i 1 . 9 . 1678 . 1 1 12 SER HB3 H 4.111 1.266 -1.294 . . . 1.0 . . . . . . . . . . . . A . 12 SER HB3 . . . . . . . . . c18964_2m3i 1 . 9 . 1679 . 1 1 12 SER HG H 6.935 1.046 -1.420 . . . 1.0 . . . . . . . . . . . . A . 12 SER HG . . . . . . . . . c18964_2m3i 1 . 9 . 1680 . 1 1 12 SER N N 4.046 -1.476 -0.927 . . . 1.0 . . . . . . . . . . . . A . 12 SER N . . . . . . . . . c18964_2m3i 1 . 9 . 1681 . 1 1 12 SER O O 3.866 0.844 1.089 . . . 1.0 . . . . . . . . . . . . A . 12 SER O . . . . . . . . . c18964_2m3i 1 . 9 . 1682 . 1 1 12 SER OG O 6.139 1.553 -1.209 . . . 1.0 . . . . . . . . . . . . A . 12 SER OG . . . . . . . . . c18964_2m3i 1 . 9 . 1683 . 1 1 13 PRO C C 5.480 0.799 3.817 . . . 1.0 . . . . . . . . . . . . A . 13 PRO C . . . . . . . . . c18964_2m3i 1 . 9 . 1684 . 1 1 13 PRO CA C 4.915 -0.526 3.323 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CA . . . . . . . . . c18964_2m3i 1 . 9 . 1685 . 1 1 13 PRO CB C 5.553 -1.701 4.055 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CB . . . . . . . . . c18964_2m3i 1 . 9 . 1686 . 1 1 13 PRO CD C 6.193 -1.884 1.746 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CD . . . . . . . . . c18964_2m3i 1 . 9 . 1687 . 1 1 13 PRO CG C 6.626 -2.191 3.147 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CG . . . . . . . . . c18964_2m3i 1 . 9 . 1688 . 1 1 13 PRO HA H 3.846 -0.529 3.487 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HA . . . . . . . . . c18964_2m3i 1 . 9 . 1689 . 1 1 13 PRO HB2 H 5.958 -1.360 4.997 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HB2 . . . . . . . . . c18964_2m3i 1 . 9 . 1690 . 1 1 13 PRO HB3 H 4.810 -2.464 4.234 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HB3 . . . . . . . . . c18964_2m3i 1 . 9 . 1691 . 1 1 13 PRO HD2 H 7.043 -1.568 1.159 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HD2 . . . . . . . . . c18964_2m3i 1 . 9 . 1692 . 1 1 13 PRO HD3 H 5.726 -2.747 1.296 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HD3 . . . . . . . . . c18964_2m3i 1 . 9 . 1693 . 1 1 13 PRO HG2 H 7.552 -1.679 3.362 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HG2 . . . . . . . . . c18964_2m3i 1 . 9 . 1694 . 1 1 13 PRO HG3 H 6.734 -3.259 3.275 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HG3 . . . . . . . . . c18964_2m3i 1 . 9 . 1695 . 1 1 13 PRO N N 5.222 -0.781 1.904 . . . 1.0 . . . . . . . . . . . . A . 13 PRO N . . . . . . . . . c18964_2m3i 1 . 9 . 1696 . 1 1 13 PRO O O 5.373 1.142 4.997 . . . 1.0 . . . . . . . . . . . . A . 13 PRO O . . . . . . . . . c18964_2m3i 1 . 9 . 1697 . 1 1 14 ILE C C 5.431 3.787 3.345 . . . 1.0 . . . . . . . . . . . . A . 14 ILE C . . . . . . . . . c18964_2m3i 1 . 9 . 1698 . 1 1 14 ILE CA C 6.596 2.844 3.150 . . . 1.0 . . . . . . . . . . . . A . 14 ILE CA . . . . . . . . . c18964_2m3i 1 . 9 . 1699 . 1 1 14 ILE CB C 7.494 3.340 1.984 . . . 1.0 . . . . . . . . . . . . A . 14 ILE CB . . . . . . . . . c18964_2m3i 1 . 9 . 1700 . 1 1 14 ILE CD1 C 9.530 2.743 0.561 . . . 1.0 . . . . . . . . . . . . A . 14 ILE CD1 . . . . . . . . . c18964_2m3i 1 . 9 . 1701 . 1 1 14 ILE CG1 C 8.636 2.349 1.718 . . . 1.0 . . . . . . . . . . . . A . 14 ILE CG1 . . . . . . . . . c18964_2m3i 1 . 9 . 1702 . 1 1 14 ILE CG2 C 8.061 4.723 2.285 . . . 1.0 . . . . . . . . . . . . A . 14 ILE CG2 . . . . . . . . . c18964_2m3i 1 . 9 . 1703 . 1 1 14 ILE H H 6.174 1.134 2.006 . . . 1.0 . . . . . . . . . . . . A . 14 ILE H . . . . . . . . . c18964_2m3i 1 . 9 . 1704 . 1 1 14 ILE HA H 7.160 2.801 4.058 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HA . . . . . . . . . c18964_2m3i 1 . 9 . 1705 . 1 1 14 ILE HB H 6.883 3.411 1.097 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HB . . . . . . . . . c18964_2m3i 1 . 9 . 1706 . 1 1 14 ILE HD11 H 8.955 2.758 -0.354 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HD11 . . . . . . . . . c18964_2m3i 1 . 9 . 1707 . 1 1 14 ILE HD12 H 10.346 2.043 0.473 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HD12 . . . . . . . . . c18964_2m3i 1 . 9 . 1708 . 1 1 14 ILE HD13 H 9.929 3.730 0.746 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HD13 . . . . . . . . . c18964_2m3i 1 . 9 . 1709 . 1 1 14 ILE HG12 H 9.253 2.274 2.600 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HG12 . . . . . . . . . c18964_2m3i 1 . 9 . 1710 . 1 1 14 ILE HG13 H 8.214 1.378 1.498 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HG13 . . . . . . . . . c18964_2m3i 1 . 9 . 1711 . 1 1 14 ILE HG21 H 7.249 5.415 2.447 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HG21 . . . . . . . . . c18964_2m3i 1 . 9 . 1712 . 1 1 14 ILE HG22 H 8.660 5.055 1.450 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HG22 . . . . . . . . . c18964_2m3i 1 . 9 . 1713 . 1 1 14 ILE HG23 H 8.676 4.672 3.170 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HG23 . . . . . . . . . c18964_2m3i 1 . 9 . 1714 . 1 1 14 ILE N N 6.080 1.531 2.895 . . . 1.0 . . . . . . . . . . . . A . 14 ILE N . . . . . . . . . c18964_2m3i 1 . 9 . 1715 . 1 1 14 ILE O O 5.473 4.717 4.139 . . . 1.0 . . . . . . . . . . . . A . 14 ILE O . . . . . . . . . c18964_2m3i 1 . 9 . 1716 . 1 1 15 CYS C C 1.996 3.323 2.892 . . . 1.0 . . . . . . . . . . . . A . 15 CYS C . . . . . . . . . c18964_2m3i 1 . 9 . 1717 . 1 1 15 CYS CA C 3.192 4.260 2.706 . . . 1.0 . . . . . . . . . . . . A . 15 CYS CA . . . . . . . . . c18964_2m3i 1 . 9 . 1718 . 1 1 15 CYS CB C 3.065 5.077 1.417 . . . 1.0 . . . . . . . . . . . . A . 15 CYS CB . . . . . . . . . c18964_2m3i 1 . 9 . 1719 . 1 1 15 CYS H H 4.465 2.661 2.138 . . . 1.0 . . . . . . . . . . . . A . 15 CYS H . . . . . . . . . c18964_2m3i 1 . 9 . 1720 . 1 1 15 CYS HA H 3.254 4.931 3.550 . . . 1.0 . . . . . . . . . . . . A . 15 CYS HA . . . . . . . . . c18964_2m3i 1 . 9 . 1721 . 1 1 15 CYS HB2 H 4.018 5.534 1.201 . . . 1.0 . . . . . . . . . . . . A . 15 CYS HB2 . . . . . . . . . c18964_2m3i 1 . 9 . 1722 . 1 1 15 CYS HB3 H 2.816 4.393 0.619 . . . 1.0 . . . . . . . . . . . . A . 15 CYS HB3 . . . . . . . . . c18964_2m3i 1 . 9 . 1723 . 1 1 15 CYS N N 4.391 3.481 2.667 . . . 1.0 . . . . . . . . . . . . A . 15 CYS N . . . . . . . . . c18964_2m3i 1 . 9 . 1724 . 1 1 15 CYS O O 1.419 2.821 1.922 . . . 1.0 . . . . . . . . . . . . A . 15 CYS O . . . . . . . . . c18964_2m3i 1 . 9 . 1725 . 1 1 15 CYS SG S 1.794 6.390 1.465 . . . 1.0 . . . . . . . . . . . . A . 15 CYS SG . . . . . . . . . c18964_2m3i 1 . 9 . 1726 . 1 1 16 NH2 HN1 H 2.171 3.477 4.844 . . . 1.0 . . . . . . . . . . . . A . 16 NH2 HN1 . . . . . . . . . c18964_2m3i 1 . 9 . 1727 . 1 1 16 NH2 HN2 H 0.943 2.397 4.285 . . . 1.0 . . . . . . . . . . . . A . 16 NH2 HN2 . . . . . . . . . c18964_2m3i 1 . 9 . 1728 . 1 1 16 NH2 N N 1.667 3.037 4.127 . . . 1.0 . . . . . . . . . . . . A . 16 NH2 N . . . . . . . . . c18964_2m3i 1 . 10 . 1729 . 1 1 1 GLY C C -3.035 6.023 -5.105 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c18964_2m3i 1 . 10 . 1730 . 1 1 1 GLY CA C -2.011 6.617 -6.026 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c18964_2m3i 1 . 10 . 1731 . 1 1 1 GLY H1 H -0.826 7.364 -4.512 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c18964_2m3i 1 . 10 . 1732 . 1 1 1 GLY H2 H -2.020 8.397 -5.027 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H2 . . . . . . . . . c18964_2m3i 1 . 10 . 1733 . 1 1 1 GLY H3 H -0.635 8.190 -5.982 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H3 . . . . . . . . . c18964_2m3i 1 . 10 . 1734 . 1 1 1 GLY HA2 H -2.503 6.986 -6.915 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c18964_2m3i 1 . 10 . 1735 . 1 1 1 GLY HA3 H -1.281 5.874 -6.301 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c18964_2m3i 1 . 10 . 1736 . 1 1 1 GLY N N -1.315 7.713 -5.361 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c18964_2m3i 1 . 10 . 1737 . 1 1 1 GLY O O -3.992 6.708 -4.717 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c18964_2m3i 1 . 10 . 1738 . 1 1 2 CYS C C -3.166 4.398 -2.411 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . c18964_2m3i 1 . 10 . 1739 . 1 1 2 CYS CA C -3.712 4.154 -3.797 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . c18964_2m3i 1 . 10 . 1740 . 1 1 2 CYS CB C -3.830 2.664 -4.093 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . c18964_2m3i 1 . 10 . 1741 . 1 1 2 CYS H H -2.169 4.195 -5.131 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . c18964_2m3i 1 . 10 . 1742 . 1 1 2 CYS HA H -4.690 4.603 -3.876 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . c18964_2m3i 1 . 10 . 1743 . 1 1 2 CYS HB2 H -4.004 2.166 -3.153 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . c18964_2m3i 1 . 10 . 1744 . 1 1 2 CYS HB3 H -4.604 2.471 -4.811 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . c18964_2m3i 1 . 10 . 1745 . 1 1 2 CYS N N -2.869 4.771 -4.752 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . c18964_2m3i 1 . 10 . 1746 . 1 1 2 CYS O O -3.668 5.249 -1.679 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . c18964_2m3i 1 . 10 . 1747 . 1 1 2 CYS SG S -2.309 1.859 -4.671 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . c18964_2m3i 1 . 10 . 1748 . 1 1 3 CYS C C -2.219 3.284 0.395 . . . 1.0 . . . . . . . . . . . . A . 3 CYS C . . . . . . . . . c18964_2m3i 1 . 10 . 1749 . 1 1 3 CYS CA C -1.383 3.748 -0.817 . . . 1.0 . . . . . . . . . . . . A . 3 CYS CA . . . . . . . . . c18964_2m3i 1 . 10 . 1750 . 1 1 3 CYS CB C -0.781 5.135 -0.595 . . . 1.0 . . . . . . . . . . . . A . 3 CYS CB . . . . . . . . . c18964_2m3i 1 . 10 . 1751 . 1 1 3 CYS H H -1.738 3.113 -2.802 . . . 1.0 . . . . . . . . . . . . A . 3 CYS H . . . . . . . . . c18964_2m3i 1 . 10 . 1752 . 1 1 3 CYS HA H -0.567 3.046 -0.905 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HA . . . . . . . . . c18964_2m3i 1 . 10 . 1753 . 1 1 3 CYS HB2 H -0.138 5.339 -1.438 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HB2 . . . . . . . . . c18964_2m3i 1 . 10 . 1754 . 1 1 3 CYS HB3 H -1.586 5.853 -0.583 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HB3 . . . . . . . . . c18964_2m3i 1 . 10 . 1755 . 1 1 3 CYS N N -2.097 3.687 -2.094 . . . 1.0 . . . . . . . . . . . . A . 3 CYS N . . . . . . . . . c18964_2m3i 1 . 10 . 1756 . 1 1 3 CYS O O -1.752 2.477 1.195 . . . 1.0 . . . . . . . . . . . . A . 3 CYS O . . . . . . . . . c18964_2m3i 1 . 10 . 1757 . 1 1 3 CYS SG S 0.187 5.304 0.942 . . . 1.0 . . . . . . . . . . . . A . 3 CYS SG . . . . . . . . . c18964_2m3i 1 . 10 . 1758 . 1 1 4 SER C C -5.219 2.243 1.286 . . . 1.0 . . . . . . . . . . . . A . 4 SER C . . . . . . . . . c18964_2m3i 1 . 10 . 1759 . 1 1 4 SER CA C -4.311 3.443 1.618 . . . 1.0 . . . . . . . . . . . . A . 4 SER CA . . . . . . . . . c18964_2m3i 1 . 10 . 1760 . 1 1 4 SER CB C -5.150 4.689 1.943 . . . 1.0 . . . . . . . . . . . . A . 4 SER CB . . . . . . . . . c18964_2m3i 1 . 10 . 1761 . 1 1 4 SER H H -3.793 4.336 -0.207 . . . 1.0 . . . . . . . . . . . . A . 4 SER H . . . . . . . . . c18964_2m3i 1 . 10 . 1762 . 1 1 4 SER HA H -3.699 3.201 2.472 . . . 1.0 . . . . . . . . . . . . A . 4 SER HA . . . . . . . . . c18964_2m3i 1 . 10 . 1763 . 1 1 4 SER HB2 H -4.502 5.549 2.017 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB2 . . . . . . . . . c18964_2m3i 1 . 10 . 1764 . 1 1 4 SER HB3 H -5.864 4.850 1.150 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB3 . . . . . . . . . c18964_2m3i 1 . 10 . 1765 . 1 1 4 SER HG H -6.342 3.706 3.121 . . . 1.0 . . . . . . . . . . . . A . 4 SER HG . . . . . . . . . c18964_2m3i 1 . 10 . 1766 . 1 1 4 SER N N -3.444 3.745 0.503 . . . 1.0 . . . . . . . . . . . . A . 4 SER N . . . . . . . . . c18964_2m3i 1 . 10 . 1767 . 1 1 4 SER O O -6.328 2.113 1.805 . . . 1.0 . . . . . . . . . . . . A . 4 SER O . . . . . . . . . c18964_2m3i 1 . 10 . 1768 . 1 1 4 SER OG O -5.854 4.539 3.170 . . . 1.0 . . . . . . . . . . . . A . 4 SER OG . . . . . . . . . c18964_2m3i 1 . 10 . 1769 . 1 1 5 HIS C C -4.586 -0.972 0.564 . . . 1.0 . . . . . . . . . . . . A . 5 HIS C . . . . . . . . . c18964_2m3i 1 . 10 . 1770 . 1 1 5 HIS CA C -5.447 0.170 0.096 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CA . . . . . . . . . c18964_2m3i 1 . 10 . 1771 . 1 1 5 HIS CB C -5.659 0.106 -1.436 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CB . . . . . . . . . c18964_2m3i 1 . 10 . 1772 . 1 1 5 HIS CD2 C -7.805 -1.349 -1.565 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CD2 . . . . . . . . . c18964_2m3i 1 . 10 . 1773 . 1 1 5 HIS CE1 C -7.201 -2.750 -3.104 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CE1 . . . . . . . . . c18964_2m3i 1 . 10 . 1774 . 1 1 5 HIS CG C -6.536 -1.020 -1.916 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CG . . . . . . . . . c18964_2m3i 1 . 10 . 1775 . 1 1 5 HIS H H -3.832 1.519 0.092 . . . 1.0 . . . . . . . . . . . . A . 5 HIS H . . . . . . . . . c18964_2m3i 1 . 10 . 1776 . 1 1 5 HIS HA H -6.396 0.161 0.610 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HA . . . . . . . . . c18964_2m3i 1 . 10 . 1777 . 1 1 5 HIS HB2 H -6.119 1.022 -1.768 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB2 . . . . . . . . . c18964_2m3i 1 . 10 . 1778 . 1 1 5 HIS HB3 H -4.696 0.004 -1.917 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB3 . . . . . . . . . c18964_2m3i 1 . 10 . 1779 . 1 1 5 HIS HD1 H -5.337 -1.944 -3.416 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD1 . . . . . . . . . c18964_2m3i 1 . 10 . 1780 . 1 1 5 HIS HD2 H -8.409 -0.848 -0.822 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD2 . . . . . . . . . c18964_2m3i 1 . 10 . 1781 . 1 1 5 HIS HE1 H -7.196 -3.561 -3.819 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HE1 . . . . . . . . . c18964_2m3i 1 . 10 . 1782 . 1 1 5 HIS N N -4.730 1.368 0.452 . . . 1.0 . . . . . . . . . . . . A . 5 HIS N . . . . . . . . . c18964_2m3i 1 . 10 . 1783 . 1 1 5 HIS ND1 N -6.174 -1.921 -2.895 . . . 1.0 . . . . . . . . . . . . A . 5 HIS ND1 . . . . . . . . . c18964_2m3i 1 . 10 . 1784 . 1 1 5 HIS NE2 N -8.218 -2.445 -2.320 . . . 1.0 . . . . . . . . . . . . A . 5 HIS NE2 . . . . . . . . . c18964_2m3i 1 . 10 . 1785 . 1 1 5 HIS O O -3.414 -0.965 0.258 . . . 1.0 . . . . . . . . . . . . A . 5 HIS O . . . . . . . . . c18964_2m3i 1 . 10 . 1786 . 1 1 6 PRO C C -3.283 -3.674 1.040 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . c18964_2m3i 1 . 10 . 1787 . 1 1 6 PRO CA C -4.393 -3.073 1.925 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . c18964_2m3i 1 . 10 . 1788 . 1 1 6 PRO CB C -5.492 -4.085 2.168 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . c18964_2m3i 1 . 10 . 1789 . 1 1 6 PRO CD C -6.562 -1.982 1.734 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . c18964_2m3i 1 . 10 . 1790 . 1 1 6 PRO CG C -6.662 -3.250 2.549 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . c18964_2m3i 1 . 10 . 1791 . 1 1 6 PRO HA H -3.957 -2.797 2.873 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . c18964_2m3i 1 . 10 . 1792 . 1 1 6 PRO HB2 H -5.672 -4.651 1.266 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB2 . . . . . . . . . c18964_2m3i 1 . 10 . 1793 . 1 1 6 PRO HB3 H -5.202 -4.745 2.972 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . c18964_2m3i 1 . 10 . 1794 . 1 1 6 PRO HD2 H -7.200 -2.039 0.865 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD2 . . . . . . . . . c18964_2m3i 1 . 10 . 1795 . 1 1 6 PRO HD3 H -6.820 -1.124 2.338 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . c18964_2m3i 1 . 10 . 1796 . 1 1 6 PRO HG2 H -7.577 -3.775 2.320 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG2 . . . . . . . . . c18964_2m3i 1 . 10 . 1797 . 1 1 6 PRO HG3 H -6.618 -3.021 3.604 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . c18964_2m3i 1 . 10 . 1798 . 1 1 6 PRO N N -5.136 -1.932 1.333 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . c18964_2m3i 1 . 10 . 1799 . 1 1 6 PRO O O -2.154 -3.869 1.502 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . c18964_2m3i 1 . 10 . 1800 . 1 1 7 VAL C C -1.498 -3.492 -1.460 . . . 1.0 . . . . . . . . . . . . A . 7 VAL C . . . . . . . . . c18964_2m3i 1 . 10 . 1801 . 1 1 7 VAL CA C -2.612 -4.515 -1.147 . . . 1.0 . . . . . . . . . . . . A . 7 VAL CA . . . . . . . . . c18964_2m3i 1 . 10 . 1802 . 1 1 7 VAL CB C -3.278 -4.987 -2.464 . . . 1.0 . . . . . . . . . . . . A . 7 VAL CB . . . . . . . . . c18964_2m3i 1 . 10 . 1803 . 1 1 7 VAL CG1 C -2.278 -5.708 -3.354 . . . 1.0 . . . . . . . . . . . . A . 7 VAL CG1 . . . . . . . . . c18964_2m3i 1 . 10 . 1804 . 1 1 7 VAL CG2 C -4.472 -5.880 -2.179 . . . 1.0 . . . . . . . . . . . . A . 7 VAL CG2 . . . . . . . . . c18964_2m3i 1 . 10 . 1805 . 1 1 7 VAL H H -4.506 -3.747 -0.525 . . . 1.0 . . . . . . . . . . . . A . 7 VAL H . . . . . . . . . c18964_2m3i 1 . 10 . 1806 . 1 1 7 VAL HA H -2.165 -5.365 -0.651 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HA . . . . . . . . . c18964_2m3i 1 . 10 . 1807 . 1 1 7 VAL HB H -3.627 -4.109 -2.985 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HB . . . . . . . . . c18964_2m3i 1 . 10 . 1808 . 1 1 7 VAL HG11 H -2.759 -6.007 -4.273 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG11 . . . . . . . . . c18964_2m3i 1 . 10 . 1809 . 1 1 7 VAL HG12 H -1.912 -6.586 -2.843 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG12 . . . . . . . . . c18964_2m3i 1 . 10 . 1810 . 1 1 7 VAL HG13 H -1.451 -5.051 -3.577 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG13 . . . . . . . . . c18964_2m3i 1 . 10 . 1811 . 1 1 7 VAL HG21 H -5.198 -5.336 -1.593 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG21 . . . . . . . . . c18964_2m3i 1 . 10 . 1812 . 1 1 7 VAL HG22 H -4.145 -6.752 -1.632 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG22 . . . . . . . . . c18964_2m3i 1 . 10 . 1813 . 1 1 7 VAL HG23 H -4.921 -6.189 -3.112 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG23 . . . . . . . . . c18964_2m3i 1 . 10 . 1814 . 1 1 7 VAL N N -3.592 -3.937 -0.223 . . . 1.0 . . . . . . . . . . . . A . 7 VAL N . . . . . . . . . c18964_2m3i 1 . 10 . 1815 . 1 1 7 VAL O O -0.308 -3.836 -1.513 . . . 1.0 . . . . . . . . . . . . A . 7 VAL O . . . . . . . . . c18964_2m3i 1 . 10 . 1816 . 1 1 8 CYS C C -0.090 -0.890 -0.650 . . . 1.0 . . . . . . . . . . . . A . 8 CYS C . . . . . . . . . c18964_2m3i 1 . 10 . 1817 . 1 1 8 CYS CA C -0.950 -1.157 -1.880 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CA . . . . . . . . . c18964_2m3i 1 . 10 . 1818 . 1 1 8 CYS CB C -1.681 0.119 -2.331 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CB . . . . . . . . . c18964_2m3i 1 . 10 . 1819 . 1 1 8 CYS H H -2.838 -2.024 -1.511 . . . 1.0 . . . . . . . . . . . . A . 8 CYS H . . . . . . . . . c18964_2m3i 1 . 10 . 1820 . 1 1 8 CYS HA H -0.323 -1.503 -2.687 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HA . . . . . . . . . c18964_2m3i 1 . 10 . 1821 . 1 1 8 CYS HB2 H -2.469 0.395 -1.645 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB2 . . . . . . . . . c18964_2m3i 1 . 10 . 1822 . 1 1 8 CYS HB3 H -0.988 0.941 -2.401 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB3 . . . . . . . . . c18964_2m3i 1 . 10 . 1823 . 1 1 8 CYS N N -1.889 -2.240 -1.613 . . . 1.0 . . . . . . . . . . . . A . 8 CYS N . . . . . . . . . c18964_2m3i 1 . 10 . 1824 . 1 1 8 CYS O O 1.120 -0.701 -0.746 . . . 1.0 . . . . . . . . . . . . A . 8 CYS O . . . . . . . . . c18964_2m3i 1 . 10 . 1825 . 1 1 8 CYS SG S -2.484 -0.019 -3.944 . . . 1.0 . . . . . . . . . . . . A . 8 CYS SG . . . . . . . . . c18964_2m3i 1 . 10 . 1826 . 1 1 9 SER C C 0.960 -1.911 2.038 . . . 1.0 . . . . . . . . . . . . A . 9 SER C . . . . . . . . . c18964_2m3i 1 . 10 . 1827 . 1 1 9 SER CA C -0.042 -0.770 1.765 . . . 1.0 . . . . . . . . . . . . A . 9 SER CA . . . . . . . . . c18964_2m3i 1 . 10 . 1828 . 1 1 9 SER CB C -1.075 -0.705 2.880 . . . 1.0 . . . . . . . . . . . . A . 9 SER CB . . . . . . . . . c18964_2m3i 1 . 10 . 1829 . 1 1 9 SER H H -1.682 -1.139 0.540 . . . 1.0 . . . . . . . . . . . . A . 9 SER H . . . . . . . . . c18964_2m3i 1 . 10 . 1830 . 1 1 9 SER HA H 0.447 0.187 1.693 . . . 1.0 . . . . . . . . . . . . A . 9 SER HA . . . . . . . . . c18964_2m3i 1 . 10 . 1831 . 1 1 9 SER HB2 H -1.542 -1.673 2.986 . . . 1.0 . . . . . . . . . . . . A . 9 SER HB2 . . . . . . . . . c18964_2m3i 1 . 10 . 1832 . 1 1 9 SER HB3 H -0.594 -0.428 3.805 . . . 1.0 . . . . . . . . . . . . A . 9 SER HB3 . . . . . . . . . c18964_2m3i 1 . 10 . 1833 . 1 1 9 SER HG H -1.684 0.971 2.057 . . . 1.0 . . . . . . . . . . . . A . 9 SER HG . . . . . . . . . c18964_2m3i 1 . 10 . 1834 . 1 1 9 SER N N -0.714 -0.967 0.511 . . . 1.0 . . . . . . . . . . . . A . 9 SER N . . . . . . . . . c18964_2m3i 1 . 10 . 1835 . 1 1 9 SER O O 1.859 -1.778 2.862 . . . 1.0 . . . . . . . . . . . . A . 9 SER O . . . . . . . . . c18964_2m3i 1 . 10 . 1836 . 1 1 9 SER OG O -2.078 0.255 2.576 . . . 1.0 . . . . . . . . . . . . A . 9 SER OG . . . . . . . . . c18964_2m3i 1 . 10 . 1837 . 1 1 10 ALA C C 2.813 -4.068 0.516 . . . 1.0 . . . . . . . . . . . . A . 10 ALA C . . . . . . . . . c18964_2m3i 1 . 10 . 1838 . 1 1 10 ALA CA C 1.652 -4.166 1.491 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CA . . . . . . . . . c18964_2m3i 1 . 10 . 1839 . 1 1 10 ALA CB C 0.889 -5.453 1.270 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CB . . . . . . . . . c18964_2m3i 1 . 10 . 1840 . 1 1 10 ALA H H 0.000 -3.091 0.757 . . . 1.0 . . . . . . . . . . . . A . 10 ALA H . . . . . . . . . c18964_2m3i 1 . 10 . 1841 . 1 1 10 ALA HA H 2.045 -4.170 2.497 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HA . . . . . . . . . c18964_2m3i 1 . 10 . 1842 . 1 1 10 ALA HB1 H 0.481 -5.456 0.270 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB1 . . . . . . . . . c18964_2m3i 1 . 10 . 1843 . 1 1 10 ALA HB2 H 0.085 -5.529 1.988 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB2 . . . . . . . . . c18964_2m3i 1 . 10 . 1844 . 1 1 10 ALA HB3 H 1.559 -6.292 1.384 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB3 . . . . . . . . . c18964_2m3i 1 . 10 . 1845 . 1 1 10 ALA N N 0.772 -3.030 1.356 . . . 1.0 . . . . . . . . . . . . A . 10 ALA N . . . . . . . . . c18964_2m3i 1 . 10 . 1846 . 1 1 10 ALA O O 3.952 -4.380 0.871 . . . 1.0 . . . . . . . . . . . . A . 10 ALA O . . . . . . . . . c18964_2m3i 1 . 10 . 1847 . 1 1 11 MET C C 4.520 -2.369 -1.384 . . . 1.0 . . . . . . . . . . . . A . 11 MET C . . . . . . . . . c18964_2m3i 1 . 10 . 1848 . 1 1 11 MET CA C 3.584 -3.500 -1.727 . . . 1.0 . . . . . . . . . . . . A . 11 MET CA . . . . . . . . . c18964_2m3i 1 . 10 . 1849 . 1 1 11 MET CB C 3.027 -3.365 -3.157 . . . 1.0 . . . . . . . . . . . . A . 11 MET CB . . . . . . . . . c18964_2m3i 1 . 10 . 1850 . 1 1 11 MET CE C 0.360 -3.508 -4.960 . . . 1.0 . . . . . . . . . . . . A . 11 MET CE . . . . . . . . . c18964_2m3i 1 . 10 . 1851 . 1 1 11 MET CG C 2.194 -2.123 -3.392 . . . 1.0 . . . . . . . . . . . . A . 11 MET CG . . . . . . . . . c18964_2m3i 1 . 10 . 1852 . 1 1 11 MET H H 1.604 -3.390 -0.930 . . . 1.0 . . . . . . . . . . . . A . 11 MET H . . . . . . . . . c18964_2m3i 1 . 10 . 1853 . 1 1 11 MET HA H 4.161 -4.403 -1.650 . . . 1.0 . . . . . . . . . . . . A . 11 MET HA . . . . . . . . . c18964_2m3i 1 . 10 . 1854 . 1 1 11 MET HB2 H 3.858 -3.344 -3.846 . . . 1.0 . . . . . . . . . . . . A . 11 MET HB2 . . . . . . . . . c18964_2m3i 1 . 10 . 1855 . 1 1 11 MET HB3 H 2.422 -4.231 -3.377 . . . 1.0 . . . . . . . . . . . . A . 11 MET HB3 . . . . . . . . . c18964_2m3i 1 . 10 . 1856 . 1 1 11 MET HE1 H 0.957 -4.398 -4.825 . . . 1.0 . . . . . . . . . . . . A . 11 MET HE1 . . . . . . . . . c18964_2m3i 1 . 10 . 1857 . 1 1 11 MET HE2 H -0.198 -3.589 -5.880 . . . 1.0 . . . . . . . . . . . . A . 11 MET HE2 . . . . . . . . . c18964_2m3i 1 . 10 . 1858 . 1 1 11 MET HE3 H -0.324 -3.404 -4.131 . . . 1.0 . . . . . . . . . . . . A . 11 MET HE3 . . . . . . . . . c18964_2m3i 1 . 10 . 1859 . 1 1 11 MET HG2 H 1.436 -2.107 -2.626 . . . 1.0 . . . . . . . . . . . . A . 11 MET HG2 . . . . . . . . . c18964_2m3i 1 . 10 . 1860 . 1 1 11 MET HG3 H 2.827 -1.258 -3.264 . . . 1.0 . . . . . . . . . . . . A . 11 MET HG3 . . . . . . . . . c18964_2m3i 1 . 10 . 1861 . 1 1 11 MET N N 2.531 -3.623 -0.712 . . . 1.0 . . . . . . . . . . . . A . 11 MET N . . . . . . . . . c18964_2m3i 1 . 10 . 1862 . 1 1 11 MET O O 5.699 -2.381 -1.744 . . . 1.0 . . . . . . . . . . . . A . 11 MET O . . . . . . . . . c18964_2m3i 1 . 10 . 1863 . 1 1 11 MET SD S 1.416 -2.063 -5.025 . . . 1.0 . . . . . . . . . . . . A . 11 MET SD . . . . . . . . . c18964_2m3i 1 . 10 . 1864 . 1 1 12 SER C C 4.326 -0.062 1.236 . . . 1.0 . . . . . . . . . . . . A . 12 SER C . . . . . . . . . c18964_2m3i 1 . 10 . 1865 . 1 1 12 SER CA C 4.761 -0.339 -0.194 . . . 1.0 . . . . . . . . . . . . A . 12 SER CA . . . . . . . . . c18964_2m3i 1 . 10 . 1866 . 1 1 12 SER CB C 4.581 0.903 -1.042 . . . 1.0 . . . . . . . . . . . . A . 12 SER CB . . . . . . . . . c18964_2m3i 1 . 10 . 1867 . 1 1 12 SER H H 3.028 -1.416 -0.558 . . . 1.0 . . . . . . . . . . . . A . 12 SER H . . . . . . . . . c18964_2m3i 1 . 10 . 1868 . 1 1 12 SER HA H 5.800 -0.631 -0.211 . . . 1.0 . . . . . . . . . . . . A . 12 SER HA . . . . . . . . . c18964_2m3i 1 . 10 . 1869 . 1 1 12 SER HB2 H 4.639 0.612 -2.078 . . . 1.0 . . . . . . . . . . . . A . 12 SER HB2 . . . . . . . . . c18964_2m3i 1 . 10 . 1870 . 1 1 12 SER HB3 H 3.601 1.301 -0.828 . . . 1.0 . . . . . . . . . . . . A . 12 SER HB3 . . . . . . . . . c18964_2m3i 1 . 10 . 1871 . 1 1 12 SER HG H 6.399 1.569 -1.063 . . . 1.0 . . . . . . . . . . . . A . 12 SER HG . . . . . . . . . c18964_2m3i 1 . 10 . 1872 . 1 1 12 SER N N 3.995 -1.407 -0.702 . . . 1.0 . . . . . . . . . . . . A . 12 SER N . . . . . . . . . c18964_2m3i 1 . 10 . 1873 . 1 1 12 SER O O 3.414 0.742 1.479 . . . 1.0 . . . . . . . . . . . . A . 12 SER O . . . . . . . . . c18964_2m3i 1 . 10 . 1874 . 1 1 12 SER OG O 5.556 1.895 -0.720 . . . 1.0 . . . . . . . . . . . . A . 12 SER OG . . . . . . . . . c18964_2m3i 1 . 10 . 1875 . 1 1 13 PRO C C 5.249 0.762 4.149 . . . 1.0 . . . . . . . . . . . . A . 13 PRO C . . . . . . . . . c18964_2m3i 1 . 10 . 1876 . 1 1 13 PRO CA C 4.613 -0.522 3.629 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CA . . . . . . . . . c18964_2m3i 1 . 10 . 1877 . 1 1 13 PRO CB C 5.202 -1.750 4.326 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CB . . . . . . . . . c18964_2m3i 1 . 10 . 1878 . 1 1 13 PRO CD C 5.991 -1.771 2.044 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CD . . . . . . . . . c18964_2m3i 1 . 10 . 1879 . 1 1 13 PRO CG C 6.327 -2.196 3.453 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CG . . . . . . . . . c18964_2m3i 1 . 10 . 1880 . 1 1 13 PRO HA H 3.545 -0.478 3.777 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HA . . . . . . . . . c18964_2m3i 1 . 10 . 1881 . 1 1 13 PRO HB2 H 5.549 -1.473 5.311 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HB2 . . . . . . . . . c18964_2m3i 1 . 10 . 1882 . 1 1 13 PRO HB3 H 4.445 -2.515 4.412 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HB3 . . . . . . . . . c18964_2m3i 1 . 10 . 1883 . 1 1 13 PRO HD2 H 6.864 -1.356 1.561 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HD2 . . . . . . . . . c18964_2m3i 1 . 10 . 1884 . 1 1 13 PRO HD3 H 5.609 -2.606 1.477 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HD3 . . . . . . . . . c18964_2m3i 1 . 10 . 1885 . 1 1 13 PRO HG2 H 7.245 -1.726 3.772 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HG2 . . . . . . . . . c18964_2m3i 1 . 10 . 1886 . 1 1 13 PRO HG3 H 6.417 -3.272 3.505 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HG3 . . . . . . . . . c18964_2m3i 1 . 10 . 1887 . 1 1 13 PRO N N 4.946 -0.732 2.221 . . . 1.0 . . . . . . . . . . . . A . 13 PRO N . . . . . . . . . c18964_2m3i 1 . 10 . 1888 . 1 1 13 PRO O O 5.113 1.124 5.309 . . . 1.0 . . . . . . . . . . . . A . 13 PRO O . . . . . . . . . c18964_2m3i 1 . 10 . 1889 . 1 1 14 ILE C C 5.629 3.842 3.290 . . . 1.0 . . . . . . . . . . . . A . 14 ILE C . . . . . . . . . c18964_2m3i 1 . 10 . 1890 . 1 1 14 ILE CA C 6.593 2.686 3.564 . . . 1.0 . . . . . . . . . . . . A . 14 ILE CA . . . . . . . . . c18964_2m3i 1 . 10 . 1891 . 1 1 14 ILE CB C 7.916 2.820 2.752 . . . 1.0 . . . . . . . . . . . . A . 14 ILE CB . . . . . . . . . c18964_2m3i 1 . 10 . 1892 . 1 1 14 ILE CD1 C 10.051 1.525 2.163 . . . 1.0 . . . . . . . . . . . . A . 14 ILE CD1 . . . . . . . . . c18964_2m3i 1 . 10 . 1893 . 1 1 14 ILE CG1 C 8.774 1.559 2.968 . . . 1.0 . . . . . . . . . . . . A . 14 ILE CG1 . . . . . . . . . c18964_2m3i 1 . 10 . 1894 . 1 1 14 ILE CG2 C 8.697 4.067 3.173 . . . 1.0 . . . . . . . . . . . . A . 14 ILE CG2 . . . . . . . . . c18964_2m3i 1 . 10 . 1895 . 1 1 14 ILE H H 5.975 1.097 2.344 . . . 1.0 . . . . . . . . . . . . A . 14 ILE H . . . . . . . . . c18964_2m3i 1 . 10 . 1896 . 1 1 14 ILE HA H 6.807 2.642 4.613 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HA . . . . . . . . . c18964_2m3i 1 . 10 . 1897 . 1 1 14 ILE HB H 7.675 2.896 1.703 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HB . . . . . . . . . c18964_2m3i 1 . 10 . 1898 . 1 1 14 ILE HD11 H 10.667 2.368 2.436 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HD11 . . . . . . . . . c18964_2m3i 1 . 10 . 1899 . 1 1 14 ILE HD12 H 9.811 1.577 1.112 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HD12 . . . . . . . . . c18964_2m3i 1 . 10 . 1900 . 1 1 14 ILE HD13 H 10.583 0.608 2.366 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HD13 . . . . . . . . . c18964_2m3i 1 . 10 . 1901 . 1 1 14 ILE HG12 H 9.047 1.495 4.011 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HG12 . . . . . . . . . c18964_2m3i 1 . 10 . 1902 . 1 1 14 ILE HG13 H 8.189 0.689 2.706 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HG13 . . . . . . . . . c18964_2m3i 1 . 10 . 1903 . 1 1 14 ILE HG21 H 8.929 4.007 4.227 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HG21 . . . . . . . . . c18964_2m3i 1 . 10 . 1904 . 1 1 14 ILE HG22 H 8.098 4.945 2.984 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HG22 . . . . . . . . . c18964_2m3i 1 . 10 . 1905 . 1 1 14 ILE HG23 H 9.613 4.126 2.605 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HG23 . . . . . . . . . c18964_2m3i 1 . 10 . 1906 . 1 1 14 ILE N N 5.930 1.453 3.254 . . . 1.0 . . . . . . . . . . . . A . 14 ILE N . . . . . . . . . c18964_2m3i 1 . 10 . 1907 . 1 1 14 ILE O O 5.829 4.987 3.708 . . . 1.0 . . . . . . . . . . . . A . 14 ILE O . . . . . . . . . c18964_2m3i 1 . 10 . 1908 . 1 1 15 CYS C C 2.309 4.079 3.184 . . . 1.0 . . . . . . . . . . . . A . 15 CYS C . . . . . . . . . c18964_2m3i 1 . 10 . 1909 . 1 1 15 CYS CA C 3.517 4.438 2.328 . . . 1.0 . . . . . . . . . . . . A . 15 CYS CA . . . . . . . . . c18964_2m3i 1 . 10 . 1910 . 1 1 15 CYS CB C 3.155 4.439 0.826 . . . 1.0 . . . . . . . . . . . . A . 15 CYS CB . . . . . . . . . c18964_2m3i 1 . 10 . 1911 . 1 1 15 CYS H H 4.502 2.562 2.371 . . . 1.0 . . . . . . . . . . . . A . 15 CYS H . . . . . . . . . c18964_2m3i 1 . 10 . 1912 . 1 1 15 CYS HA H 3.864 5.417 2.622 . . . 1.0 . . . . . . . . . . . . A . 15 CYS HA . . . . . . . . . c18964_2m3i 1 . 10 . 1913 . 1 1 15 CYS HB2 H 4.064 4.519 0.248 . . . 1.0 . . . . . . . . . . . . A . 15 CYS HB2 . . . . . . . . . c18964_2m3i 1 . 10 . 1914 . 1 1 15 CYS HB3 H 2.663 3.509 0.582 . . . 1.0 . . . . . . . . . . . . A . 15 CYS HB3 . . . . . . . . . c18964_2m3i 1 . 10 . 1915 . 1 1 15 CYS N N 4.568 3.504 2.630 . . . 1.0 . . . . . . . . . . . . A . 15 CYS N . . . . . . . . . c18964_2m3i 1 . 10 . 1916 . 1 1 15 CYS O O 1.966 4.800 4.122 . . . 1.0 . . . . . . . . . . . . A . 15 CYS O . . . . . . . . . c18964_2m3i 1 . 10 . 1917 . 1 1 15 CYS SG S 2.047 5.817 0.307 . . . 1.0 . . . . . . . . . . . . A . 15 CYS SG . . . . . . . . . c18964_2m3i 1 . 10 . 1918 . 1 1 16 NH2 HN1 H 1.979 2.429 2.118 . . . 1.0 . . . . . . . . . . . . A . 16 NH2 HN1 . . . . . . . . . c18964_2m3i 1 . 10 . 1919 . 1 1 16 NH2 HN2 H 0.883 2.739 3.421 . . . 1.0 . . . . . . . . . . . . A . 16 NH2 HN2 . . . . . . . . . c18964_2m3i 1 . 10 . 1920 . 1 1 16 NH2 N N 1.663 2.969 2.874 . . . 1.0 . . . . . . . . . . . . A . 16 NH2 N . . . . . . . . . c18964_2m3i 1 . 11 . 1921 . 1 1 1 GLY C C -4.768 4.368 -2.974 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c18964_2m3i 1 . 11 . 1922 . 1 1 1 GLY CA C -5.441 5.580 -3.537 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c18964_2m3i 1 . 11 . 1923 . 1 1 1 GLY H1 H -6.123 6.195 -1.712 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c18964_2m3i 1 . 11 . 1924 . 1 1 1 GLY H2 H -7.231 5.259 -2.554 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H2 . . . . . . . . . c18964_2m3i 1 . 11 . 1925 . 1 1 1 GLY H3 H -6.959 6.889 -2.998 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H3 . . . . . . . . . c18964_2m3i 1 . 11 . 1926 . 1 1 1 GLY HA2 H -5.849 5.333 -4.505 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c18964_2m3i 1 . 11 . 1927 . 1 1 1 GLY HA3 H -4.722 6.379 -3.645 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c18964_2m3i 1 . 11 . 1928 . 1 1 1 GLY N N -6.522 6.011 -2.653 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c18964_2m3i 1 . 11 . 1929 . 1 1 1 GLY O O -5.258 3.791 -2.012 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c18964_2m3i 1 . 11 . 1930 . 1 1 2 CYS C C -2.282 2.958 -1.737 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . c18964_2m3i 1 . 11 . 1931 . 1 1 2 CYS CA C -2.913 2.836 -3.111 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . c18964_2m3i 1 . 11 . 1932 . 1 1 2 CYS CB C -1.866 2.478 -4.123 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . c18964_2m3i 1 . 11 . 1933 . 1 1 2 CYS H H -3.216 4.557 -4.224 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . c18964_2m3i 1 . 11 . 1934 . 1 1 2 CYS HA H -3.631 2.032 -3.091 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . c18964_2m3i 1 . 11 . 1935 . 1 1 2 CYS HB2 H -1.611 3.386 -4.647 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . c18964_2m3i 1 . 11 . 1936 . 1 1 2 CYS HB3 H -1.005 2.142 -3.573 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . c18964_2m3i 1 . 11 . 1937 . 1 1 2 CYS N N -3.630 4.011 -3.518 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . c18964_2m3i 1 . 11 . 1938 . 1 1 2 CYS O O -2.163 1.970 -1.010 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . c18964_2m3i 1 . 11 . 1939 . 1 1 2 CYS SG S -2.370 1.205 -5.350 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . c18964_2m3i 1 . 11 . 1940 . 1 1 3 CYS C C -2.327 4.264 1.068 . . . 1.0 . . . . . . . . . . . . A . 3 CYS C . . . . . . . . . c18964_2m3i 1 . 11 . 1941 . 1 1 3 CYS CA C -1.316 4.378 -0.060 . . . 1.0 . . . . . . . . . . . . A . 3 CYS CA . . . . . . . . . c18964_2m3i 1 . 11 . 1942 . 1 1 3 CYS CB C -0.604 5.695 -0.034 . . . 1.0 . . . . . . . . . . . . A . 3 CYS CB . . . . . . . . . c18964_2m3i 1 . 11 . 1943 . 1 1 3 CYS H H -2.021 4.922 -1.955 . . . 1.0 . . . . . . . . . . . . A . 3 CYS H . . . . . . . . . c18964_2m3i 1 . 11 . 1944 . 1 1 3 CYS HA H -0.585 3.593 0.060 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HA . . . . . . . . . c18964_2m3i 1 . 11 . 1945 . 1 1 3 CYS HB2 H -1.295 6.469 -0.332 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HB2 . . . . . . . . . c18964_2m3i 1 . 11 . 1946 . 1 1 3 CYS HB3 H -0.288 5.863 0.981 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HB3 . . . . . . . . . c18964_2m3i 1 . 11 . 1947 . 1 1 3 CYS N N -1.917 4.152 -1.356 . . . 1.0 . . . . . . . . . . . . A . 3 CYS N . . . . . . . . . c18964_2m3i 1 . 11 . 1948 . 1 1 3 CYS O O -1.996 4.368 2.239 . . . 1.0 . . . . . . . . . . . . A . 3 CYS O . . . . . . . . . c18964_2m3i 1 . 11 . 1949 . 1 1 3 CYS SG S 0.848 5.751 -1.135 . . . 1.0 . . . . . . . . . . . . A . 3 CYS SG . . . . . . . . . c18964_2m3i 1 . 11 . 1950 . 1 1 4 SER C C -5.416 2.596 1.116 . . . 1.0 . . . . . . . . . . . . A . 4 SER C . . . . . . . . . c18964_2m3i 1 . 11 . 1951 . 1 1 4 SER CA C -4.617 3.808 1.602 . . . 1.0 . . . . . . . . . . . . A . 4 SER CA . . . . . . . . . c18964_2m3i 1 . 11 . 1952 . 1 1 4 SER CB C -5.479 5.072 1.706 . . . 1.0 . . . . . . . . . . . . A . 4 SER CB . . . . . . . . . c18964_2m3i 1 . 11 . 1953 . 1 1 4 SER H H -3.702 4.034 -0.277 . . . 1.0 . . . . . . . . . . . . A . 4 SER H . . . . . . . . . c18964_2m3i 1 . 11 . 1954 . 1 1 4 SER HA H -4.191 3.581 2.569 . . . 1.0 . . . . . . . . . . . . A . 4 SER HA . . . . . . . . . c18964_2m3i 1 . 11 . 1955 . 1 1 4 SER HB2 H -6.366 4.853 2.279 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB2 . . . . . . . . . c18964_2m3i 1 . 11 . 1956 . 1 1 4 SER HB3 H -4.911 5.838 2.212 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB3 . . . . . . . . . c18964_2m3i 1 . 11 . 1957 . 1 1 4 SER HG H -5.303 6.332 0.268 . . . 1.0 . . . . . . . . . . . . A . 4 SER HG . . . . . . . . . c18964_2m3i 1 . 11 . 1958 . 1 1 4 SER N N -3.540 4.040 0.691 . . . 1.0 . . . . . . . . . . . . A . 4 SER N . . . . . . . . . c18964_2m3i 1 . 11 . 1959 . 1 1 4 SER O O -6.622 2.485 1.337 . . . 1.0 . . . . . . . . . . . . A . 4 SER O . . . . . . . . . c18964_2m3i 1 . 11 . 1960 . 1 1 4 SER OG O -5.864 5.562 0.418 . . . 1.0 . . . . . . . . . . . . A . 4 SER OG . . . . . . . . . c18964_2m3i 1 . 11 . 1961 . 1 1 5 HIS C C -4.505 -0.735 0.358 . . . 1.0 . . . . . . . . . . . . A . 5 HIS C . . . . . . . . . c18964_2m3i 1 . 11 . 1962 . 1 1 5 HIS CA C -5.325 0.481 -0.067 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CA . . . . . . . . . c18964_2m3i 1 . 11 . 1963 . 1 1 5 HIS CB C -5.405 0.586 -1.596 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CB . . . . . . . . . c18964_2m3i 1 . 11 . 1964 . 1 1 5 HIS CD2 C -5.518 -1.609 -2.931 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CD2 . . . . . . . . . c18964_2m3i 1 . 11 . 1965 . 1 1 5 HIS CE1 C -7.651 -1.920 -2.952 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CE1 . . . . . . . . . c18964_2m3i 1 . 11 . 1966 . 1 1 5 HIS CG C -6.066 -0.574 -2.268 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CG . . . . . . . . . c18964_2m3i 1 . 11 . 1967 . 1 1 5 HIS H H -3.739 1.767 0.383 . . . 1.0 . . . . . . . . . . . . A . 5 HIS H . . . . . . . . . c18964_2m3i 1 . 11 . 1968 . 1 1 5 HIS HA H -6.322 0.405 0.340 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HA . . . . . . . . . c18964_2m3i 1 . 11 . 1969 . 1 1 5 HIS HB2 H -5.931 1.487 -1.870 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB2 . . . . . . . . . c18964_2m3i 1 . 11 . 1970 . 1 1 5 HIS HB3 H -4.392 0.643 -1.966 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB3 . . . . . . . . . c18964_2m3i 1 . 11 . 1971 . 1 1 5 HIS HD1 H -8.115 -0.189 -1.924 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD1 . . . . . . . . . c18964_2m3i 1 . 11 . 1972 . 1 1 5 HIS HD2 H -4.463 -1.746 -3.123 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD2 . . . . . . . . . c18964_2m3i 1 . 11 . 1973 . 1 1 5 HIS HE1 H -8.629 -2.346 -3.121 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HE1 . . . . . . . . . c18964_2m3i 1 . 11 . 1974 . 1 1 5 HIS N N -4.715 1.673 0.474 . . . 1.0 . . . . . . . . . . . . A . 5 HIS N . . . . . . . . . c18964_2m3i 1 . 11 . 1975 . 1 1 5 HIS ND1 N -7.421 -0.780 -2.295 . . . 1.0 . . . . . . . . . . . . A . 5 HIS ND1 . . . . . . . . . c18964_2m3i 1 . 11 . 1976 . 1 1 5 HIS NE2 N -6.518 -2.464 -3.361 . . . 1.0 . . . . . . . . . . . . A . 5 HIS NE2 . . . . . . . . . c18964_2m3i 1 . 11 . 1977 . 1 1 5 HIS O O -3.312 -0.807 0.039 . . . 1.0 . . . . . . . . . . . . A . 5 HIS O . . . . . . . . . c18964_2m3i 1 . 11 . 1978 . 1 1 6 PRO C C -3.347 -3.507 0.859 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . c18964_2m3i 1 . 11 . 1979 . 1 1 6 PRO CA C -4.523 -2.900 1.644 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . c18964_2m3i 1 . 11 . 1980 . 1 1 6 PRO CB C -5.680 -3.883 1.730 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . c18964_2m3i 1 . 11 . 1981 . 1 1 6 PRO CD C -6.620 -1.716 1.310 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . c18964_2m3i 1 . 11 . 1982 . 1 1 6 PRO CG C -6.854 -3.024 2.031 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . c18964_2m3i 1 . 11 . 1983 . 1 1 6 PRO HA H -4.190 -2.680 2.647 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . c18964_2m3i 1 . 11 . 1984 . 1 1 6 PRO HB2 H -5.786 -4.394 0.785 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB2 . . . . . . . . . c18964_2m3i 1 . 11 . 1985 . 1 1 6 PRO HB3 H -5.501 -4.597 2.519 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . c18964_2m3i 1 . 11 . 1986 . 1 1 6 PRO HD2 H -7.175 -1.691 0.384 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD2 . . . . . . . . . c18964_2m3i 1 . 11 . 1987 . 1 1 6 PRO HD3 H -6.899 -0.886 1.941 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . c18964_2m3i 1 . 11 . 1988 . 1 1 6 PRO HG2 H -7.756 -3.499 1.671 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG2 . . . . . . . . . c18964_2m3i 1 . 11 . 1989 . 1 1 6 PRO HG3 H -6.921 -2.857 3.095 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . c18964_2m3i 1 . 11 . 1990 . 1 1 6 PRO N N -5.156 -1.708 1.046 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . c18964_2m3i 1 . 11 . 1991 . 1 1 6 PRO O O -2.219 -3.530 1.359 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . c18964_2m3i 1 . 11 . 1992 . 1 1 7 VAL C C -1.407 -3.670 -1.554 . . . 1.0 . . . . . . . . . . . . A . 7 VAL C . . . . . . . . . c18964_2m3i 1 . 11 . 1993 . 1 1 7 VAL CA C -2.539 -4.621 -1.136 . . . 1.0 . . . . . . . . . . . . A . 7 VAL CA . . . . . . . . . c18964_2m3i 1 . 11 . 1994 . 1 1 7 VAL CB C -3.091 -5.406 -2.366 . . . 1.0 . . . . . . . . . . . . A . 7 VAL CB . . . . . . . . . c18964_2m3i 1 . 11 . 1995 . 1 1 7 VAL CG1 C -3.709 -4.491 -3.397 . . . 1.0 . . . . . . . . . . . . A . 7 VAL CG1 . . . . . . . . . c18964_2m3i 1 . 11 . 1996 . 1 1 7 VAL CG2 C -2.020 -6.291 -2.992 . . . 1.0 . . . . . . . . . . . . A . 7 VAL CG2 . . . . . . . . . c18964_2m3i 1 . 11 . 1997 . 1 1 7 VAL H H -4.484 -3.833 -0.752 . . . 1.0 . . . . . . . . . . . . A . 7 VAL H . . . . . . . . . c18964_2m3i 1 . 11 . 1998 . 1 1 7 VAL HA H -2.098 -5.335 -0.455 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HA . . . . . . . . . c18964_2m3i 1 . 11 . 1999 . 1 1 7 VAL HB H -3.878 -6.047 -1.999 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HB . . . . . . . . . c18964_2m3i 1 . 11 . 2000 . 1 1 7 VAL HG11 H -4.551 -3.975 -2.961 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG11 . . . . . . . . . c18964_2m3i 1 . 11 . 2001 . 1 1 7 VAL HG12 H -4.035 -5.071 -4.247 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG12 . . . . . . . . . c18964_2m3i 1 . 11 . 2002 . 1 1 7 VAL HG13 H -2.974 -3.768 -3.716 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG13 . . . . . . . . . c18964_2m3i 1 . 11 . 2003 . 1 1 7 VAL HG21 H -1.184 -5.683 -3.301 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG21 . . . . . . . . . c18964_2m3i 1 . 11 . 2004 . 1 1 7 VAL HG22 H -2.433 -6.797 -3.851 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG22 . . . . . . . . . c18964_2m3i 1 . 11 . 2005 . 1 1 7 VAL HG23 H -1.690 -7.022 -2.270 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG23 . . . . . . . . . c18964_2m3i 1 . 11 . 2006 . 1 1 7 VAL N N -3.588 -3.948 -0.370 . . . 1.0 . . . . . . . . . . . . A . 7 VAL N . . . . . . . . . c18964_2m3i 1 . 11 . 2007 . 1 1 7 VAL O O -0.238 -4.047 -1.537 . . . 1.0 . . . . . . . . . . . . A . 7 VAL O . . . . . . . . . c18964_2m3i 1 . 11 . 2008 . 1 1 8 CYS C C 0.144 -1.110 -1.108 . . . 1.0 . . . . . . . . . . . . A . 8 CYS C . . . . . . . . . c18964_2m3i 1 . 11 . 2009 . 1 1 8 CYS CA C -0.699 -1.508 -2.299 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CA . . . . . . . . . c18964_2m3i 1 . 11 . 2010 . 1 1 8 CYS CB C -1.273 -0.265 -2.931 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CB . . . . . . . . . c18964_2m3i 1 . 11 . 2011 . 1 1 8 CYS H H -2.656 -2.122 -1.782 . . . 1.0 . . . . . . . . . . . . A . 8 CYS H . . . . . . . . . c18964_2m3i 1 . 11 . 2012 . 1 1 8 CYS HA H -0.075 -2.024 -3.014 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HA . . . . . . . . . c18964_2m3i 1 . 11 . 2013 . 1 1 8 CYS HB2 H -1.744 0.338 -2.169 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB2 . . . . . . . . . c18964_2m3i 1 . 11 . 2014 . 1 1 8 CYS HB3 H -0.445 0.283 -3.353 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB3 . . . . . . . . . c18964_2m3i 1 . 11 . 2015 . 1 1 8 CYS N N -1.730 -2.430 -1.867 . . . 1.0 . . . . . . . . . . . . A . 8 CYS N . . . . . . . . . c18964_2m3i 1 . 11 . 2016 . 1 1 8 CYS O O 1.369 -1.091 -1.185 . . . 1.0 . . . . . . . . . . . . A . 8 CYS O . . . . . . . . . c18964_2m3i 1 . 11 . 2017 . 1 1 8 CYS SG S -2.498 -0.517 -4.258 . . . 1.0 . . . . . . . . . . . . A . 8 CYS SG . . . . . . . . . c18964_2m3i 1 . 11 . 2018 . 1 1 9 SER C C 0.954 -1.675 1.817 . . . 1.0 . . . . . . . . . . . . A . 9 SER C . . . . . . . . . c18964_2m3i 1 . 11 . 2019 . 1 1 9 SER CA C 0.146 -0.489 1.236 . . . 1.0 . . . . . . . . . . . . A . 9 SER CA . . . . . . . . . c18964_2m3i 1 . 11 . 2020 . 1 1 9 SER CB C -0.881 0.006 2.239 . . . 1.0 . . . . . . . . . . . . A . 9 SER CB . . . . . . . . . c18964_2m3i 1 . 11 . 2021 . 1 1 9 SER H H -1.498 -0.931 0.054 . . . 1.0 . . . . . . . . . . . . A . 9 SER H . . . . . . . . . c18964_2m3i 1 . 11 . 2022 . 1 1 9 SER HA H 0.783 0.337 0.963 . . . 1.0 . . . . . . . . . . . . A . 9 SER HA . . . . . . . . . c18964_2m3i 1 . 11 . 2023 . 1 1 9 SER HB2 H -1.538 -0.810 2.499 . . . 1.0 . . . . . . . . . . . . A . 9 SER HB2 . . . . . . . . . c18964_2m3i 1 . 11 . 2024 . 1 1 9 SER HB3 H -0.380 0.371 3.123 . . . 1.0 . . . . . . . . . . . . A . 9 SER HB3 . . . . . . . . . c18964_2m3i 1 . 11 . 2025 . 1 1 9 SER HG H -1.307 1.254 0.802 . . . 1.0 . . . . . . . . . . . . A . 9 SER HG . . . . . . . . . c18964_2m3i 1 . 11 . 2026 . 1 1 9 SER N N -0.518 -0.868 0.022 . . . 1.0 . . . . . . . . . . . . A . 9 SER N . . . . . . . . . c18964_2m3i 1 . 11 . 2027 . 1 1 9 SER O O 1.682 -1.526 2.792 . . . 1.0 . . . . . . . . . . . . A . 9 SER O . . . . . . . . . c18964_2m3i 1 . 11 . 2028 . 1 1 9 SER OG O -1.663 1.061 1.680 . . . 1.0 . . . . . . . . . . . . A . 9 SER OG . . . . . . . . . c18964_2m3i 1 . 11 . 2029 . 1 1 10 ALA C C 2.747 -4.114 0.684 . . . 1.0 . . . . . . . . . . . . A . 10 ALA C . . . . . . . . . c18964_2m3i 1 . 11 . 2030 . 1 1 10 ALA CA C 1.540 -4.017 1.600 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CA . . . . . . . . . c18964_2m3i 1 . 11 . 2031 . 1 1 10 ALA CB C 0.692 -5.269 1.488 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CB . . . . . . . . . c18964_2m3i 1 . 11 . 2032 . 1 1 10 ALA H H 0.070 -2.932 0.558 . . . 1.0 . . . . . . . . . . . . A . 10 ALA H . . . . . . . . . c18964_2m3i 1 . 11 . 2033 . 1 1 10 ALA HA H 1.884 -3.908 2.619 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HA . . . . . . . . . c18964_2m3i 1 . 11 . 2034 . 1 1 10 ALA HB1 H 0.349 -5.377 0.470 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB1 . . . . . . . . . c18964_2m3i 1 . 11 . 2035 . 1 1 10 ALA HB2 H -0.160 -5.189 2.147 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB2 . . . . . . . . . c18964_2m3i 1 . 11 . 2036 . 1 1 10 ALA HB3 H 1.282 -6.131 1.762 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB3 . . . . . . . . . c18964_2m3i 1 . 11 . 2037 . 1 1 10 ALA N N 0.768 -2.851 1.240 . . . 1.0 . . . . . . . . . . . . A . 10 ALA N . . . . . . . . . c18964_2m3i 1 . 11 . 2038 . 1 1 10 ALA O O 3.843 -4.458 1.119 . . . 1.0 . . . . . . . . . . . . A . 10 ALA O . . . . . . . . . c18964_2m3i 1 . 11 . 2039 . 1 1 11 MET C C 4.613 -2.732 -1.252 . . . 1.0 . . . . . . . . . . . . A . 11 MET C . . . . . . . . . c18964_2m3i 1 . 11 . 2040 . 1 1 11 MET CA C 3.609 -3.794 -1.599 . . . 1.0 . . . . . . . . . . . . A . 11 MET CA . . . . . . . . . c18964_2m3i 1 . 11 . 2041 . 1 1 11 MET CB C 3.060 -3.569 -3.013 . . . 1.0 . . . . . . . . . . . . A . 11 MET CB . . . . . . . . . c18964_2m3i 1 . 11 . 2042 . 1 1 11 MET CE C 1.662 -7.305 -4.238 . . . 1.0 . . . . . . . . . . . . A . 11 MET CE . . . . . . . . . c18964_2m3i 1 . 11 . 2043 . 1 1 11 MET CG C 2.152 -4.678 -3.516 . . . 1.0 . . . . . . . . . . . . A . 11 MET CG . . . . . . . . . c18964_2m3i 1 . 11 . 2044 . 1 1 11 MET H H 1.618 -3.579 -0.874 . . . 1.0 . . . . . . . . . . . . A . 11 MET H . . . . . . . . . c18964_2m3i 1 . 11 . 2045 . 1 1 11 MET HA H 4.106 -4.744 -1.550 . . . 1.0 . . . . . . . . . . . . A . 11 MET HA . . . . . . . . . c18964_2m3i 1 . 11 . 2046 . 1 1 11 MET HB2 H 2.497 -2.647 -3.021 . . . 1.0 . . . . . . . . . . . . A . 11 MET HB2 . . . . . . . . . c18964_2m3i 1 . 11 . 2047 . 1 1 11 MET HB3 H 3.892 -3.475 -3.696 . . . 1.0 . . . . . . . . . . . . A . 11 MET HB3 . . . . . . . . . c18964_2m3i 1 . 11 . 2048 . 1 1 11 MET HE1 H 1.301 -6.935 -5.185 . . . 1.0 . . . . . . . . . . . . A . 11 MET HE1 . . . . . . . . . c18964_2m3i 1 . 11 . 2049 . 1 1 11 MET HE2 H 0.856 -7.289 -3.519 . . . 1.0 . . . . . . . . . . . . A . 11 MET HE2 . . . . . . . . . c18964_2m3i 1 . 11 . 2050 . 1 1 11 MET HE3 H 2.019 -8.317 -4.359 . . . 1.0 . . . . . . . . . . . . A . 11 MET HE3 . . . . . . . . . c18964_2m3i 1 . 11 . 2051 . 1 1 11 MET HG2 H 1.331 -4.790 -2.822 . . . 1.0 . . . . . . . . . . . . A . 11 MET HG2 . . . . . . . . . c18964_2m3i 1 . 11 . 2052 . 1 1 11 MET HG3 H 1.763 -4.400 -4.484 . . . 1.0 . . . . . . . . . . . . A . 11 MET HG3 . . . . . . . . . c18964_2m3i 1 . 11 . 2053 . 1 1 11 MET N N 2.533 -3.802 -0.598 . . . 1.0 . . . . . . . . . . . . A . 11 MET N . . . . . . . . . c18964_2m3i 1 . 11 . 2054 . 1 1 11 MET O O 5.829 -2.908 -1.394 . . . 1.0 . . . . . . . . . . . . A . 11 MET O . . . . . . . . . c18964_2m3i 1 . 11 . 2055 . 1 1 11 MET SD S 3.000 -6.263 -3.660 . . . 1.0 . . . . . . . . . . . . A . 11 MET SD . . . . . . . . . c18964_2m3i 1 . 11 . 2056 . 1 1 12 SER C C 4.325 -0.183 1.036 . . . 1.0 . . . . . . . . . . . . A . 12 SER C . . . . . . . . . c18964_2m3i 1 . 11 . 2057 . 1 1 12 SER CA C 4.884 -0.591 -0.314 . . . 1.0 . . . . . . . . . . . . A . 12 SER CA . . . . . . . . . c18964_2m3i 1 . 11 . 2058 . 1 1 12 SER CB C 4.878 0.581 -1.279 . . . 1.0 . . . . . . . . . . . . A . 12 SER CB . . . . . . . . . c18964_2m3i 1 . 11 . 2059 . 1 1 12 SER H H 3.127 -1.573 -0.841 . . . 1.0 . . . . . . . . . . . . A . 12 SER H . . . . . . . . . c18964_2m3i 1 . 11 . 2060 . 1 1 12 SER HA H 5.893 -0.948 -0.190 . . . 1.0 . . . . . . . . . . . . A . 12 SER HA . . . . . . . . . c18964_2m3i 1 . 11 . 2061 . 1 1 12 SER HB2 H 5.058 0.193 -2.268 . . . 1.0 . . . . . . . . . . . . A . 12 SER HB2 . . . . . . . . . c18964_2m3i 1 . 11 . 2062 . 1 1 12 SER HB3 H 3.905 1.050 -1.247 . . . 1.0 . . . . . . . . . . . . A . 12 SER HB3 . . . . . . . . . c18964_2m3i 1 . 11 . 2063 . 1 1 12 SER HG H 6.693 1.228 -1.325 . . . 1.0 . . . . . . . . . . . . A . 12 SER HG . . . . . . . . . c18964_2m3i 1 . 11 . 2064 . 1 1 12 SER N N 4.104 -1.651 -0.809 . . . 1.0 . . . . . . . . . . . . A . 12 SER N . . . . . . . . . c18964_2m3i 1 . 11 . 2065 . 1 1 12 SER O O 3.399 0.620 1.120 . . . 1.0 . . . . . . . . . . . . A . 12 SER O . . . . . . . . . c18964_2m3i 1 . 11 . 2066 . 1 1 12 SER OG O 5.869 1.543 -0.933 . . . 1.0 . . . . . . . . . . . . A . 12 SER OG . . . . . . . . . c18964_2m3i 1 . 11 . 2067 . 1 1 13 PRO C C 4.929 0.913 3.952 . . . 1.0 . . . . . . . . . . . . A . 13 PRO C . . . . . . . . . c18964_2m3i 1 . 11 . 2068 . 1 1 13 PRO CA C 4.396 -0.435 3.481 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CA . . . . . . . . . c18964_2m3i 1 . 11 . 2069 . 1 1 13 PRO CB C 4.951 -1.574 4.329 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CB . . . . . . . . . c18964_2m3i 1 . 11 . 2070 . 1 1 13 PRO CD C 5.935 -1.775 2.138 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CD . . . . . . . . . c18964_2m3i 1 . 11 . 2071 . 1 1 13 PRO CG C 6.159 -2.055 3.597 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CG . . . . . . . . . c18964_2m3i 1 . 11 . 2072 . 1 1 13 PRO HA H 3.317 -0.425 3.529 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HA . . . . . . . . . c18964_2m3i 1 . 11 . 2073 . 1 1 13 PRO HB2 H 5.203 -1.196 5.309 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HB2 . . . . . . . . . c18964_2m3i 1 . 11 . 2074 . 1 1 13 PRO HB3 H 4.208 -2.353 4.419 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HB3 . . . . . . . . . c18964_2m3i 1 . 11 . 2075 . 1 1 13 PRO HD2 H 6.838 -1.380 1.695 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HD2 . . . . . . . . . c18964_2m3i 1 . 11 . 2076 . 1 1 13 PRO HD3 H 5.620 -2.670 1.622 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HD3 . . . . . . . . . c18964_2m3i 1 . 11 . 2077 . 1 1 13 PRO HG2 H 7.032 -1.521 3.942 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HG2 . . . . . . . . . c18964_2m3i 1 . 11 . 2078 . 1 1 13 PRO HG3 H 6.272 -3.118 3.759 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HG3 . . . . . . . . . c18964_2m3i 1 . 11 . 2079 . 1 1 13 PRO N N 4.859 -0.754 2.130 . . . 1.0 . . . . . . . . . . . . A . 13 PRO N . . . . . . . . . c18964_2m3i 1 . 11 . 2080 . 1 1 13 PRO O O 4.711 1.331 5.092 . . . 1.0 . . . . . . . . . . . . A . 13 PRO O . . . . . . . . . c18964_2m3i 1 . 11 . 2081 . 1 1 14 ILE C C 5.132 3.938 3.007 . . . 1.0 . . . . . . . . . . . . A . 14 ILE C . . . . . . . . . c18964_2m3i 1 . 11 . 2082 . 1 1 14 ILE CA C 6.193 2.877 3.300 . . . 1.0 . . . . . . . . . . . . A . 14 ILE CA . . . . . . . . . c18964_2m3i 1 . 11 . 2083 . 1 1 14 ILE CB C 7.450 3.104 2.408 . . . 1.0 . . . . . . . . . . . . A . 14 ILE CB . . . . . . . . . c18964_2m3i 1 . 11 . 2084 . 1 1 14 ILE CD1 C 9.588 1.957 1.582 . . . 1.0 . . . . . . . . . . . . A . 14 ILE CD1 . . . . . . . . . c18964_2m3i 1 . 11 . 2085 . 1 1 14 ILE CG1 C 8.401 1.899 2.520 . . . 1.0 . . . . . . . . . . . . A . 14 ILE CG1 . . . . . . . . . c18964_2m3i 1 . 11 . 2086 . 1 1 14 ILE CG2 C 8.183 4.384 2.817 . . . 1.0 . . . . . . . . . . . . A . 14 ILE CG2 . . . . . . . . . c18964_2m3i 1 . 11 . 2087 . 1 1 14 ILE H H 5.781 1.140 2.195 . . . 1.0 . . . . . . . . . . . . A . 14 ILE H . . . . . . . . . c18964_2m3i 1 . 11 . 2088 . 1 1 14 ILE HA H 6.462 2.908 4.335 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HA . . . . . . . . . c18964_2m3i 1 . 11 . 2089 . 1 1 14 ILE HB H 7.132 3.201 1.381 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HB . . . . . . . . . c18964_2m3i 1 . 11 . 2090 . 1 1 14 ILE HD11 H 9.235 2.009 0.562 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HD11 . . . . . . . . . c18964_2m3i 1 . 11 . 2091 . 1 1 14 ILE HD12 H 10.187 1.067 1.707 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HD12 . . . . . . . . . c18964_2m3i 1 . 11 . 2092 . 1 1 14 ILE HD13 H 10.183 2.830 1.804 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HD13 . . . . . . . . . c18964_2m3i 1 . 11 . 2093 . 1 1 14 ILE HG12 H 8.786 1.847 3.527 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HG12 . . . . . . . . . c18964_2m3i 1 . 11 . 2094 . 1 1 14 ILE HG13 H 7.850 0.995 2.307 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HG13 . . . . . . . . . c18964_2m3i 1 . 11 . 2095 . 1 1 14 ILE HG21 H 8.520 4.294 3.840 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HG21 . . . . . . . . . c18964_2m3i 1 . 11 . 2096 . 1 1 14 ILE HG22 H 7.511 5.224 2.735 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HG22 . . . . . . . . . c18964_2m3i 1 . 11 . 2097 . 1 1 14 ILE HG23 H 9.033 4.535 2.168 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HG23 . . . . . . . . . c18964_2m3i 1 . 11 . 2098 . 1 1 14 ILE N N 5.628 1.576 3.057 . . . 1.0 . . . . . . . . . . . . A . 14 ILE N . . . . . . . . . c18964_2m3i 1 . 11 . 2099 . 1 1 14 ILE O O 5.235 5.103 3.399 . . . 1.0 . . . . . . . . . . . . A . 14 ILE O . . . . . . . . . c18964_2m3i 1 . 11 . 2100 . 1 1 15 CYS C C 1.740 3.542 1.980 . . . 1.0 . . . . . . . . . . . . A . 15 CYS C . . . . . . . . . c18964_2m3i 1 . 11 . 2101 . 1 1 15 CYS CA C 3.031 4.362 1.951 . . . 1.0 . . . . . . . . . . . . A . 15 CYS CA . . . . . . . . . c18964_2m3i 1 . 11 . 2102 . 1 1 15 CYS CB C 3.291 4.892 0.541 . . . 1.0 . . . . . . . . . . . . A . 15 CYS CB . . . . . . . . . c18964_2m3i 1 . 11 . 2103 . 1 1 15 CYS H H 4.114 2.563 2.097 . . . 1.0 . . . . . . . . . . . . A . 15 CYS H . . . . . . . . . c18964_2m3i 1 . 11 . 2104 . 1 1 15 CYS HA H 2.964 5.189 2.642 . . . 1.0 . . . . . . . . . . . . A . 15 CYS HA . . . . . . . . . c18964_2m3i 1 . 11 . 2105 . 1 1 15 CYS HB2 H 4.345 5.106 0.452 . . . 1.0 . . . . . . . . . . . . A . 15 CYS HB2 . . . . . . . . . c18964_2m3i 1 . 11 . 2106 . 1 1 15 CYS HB3 H 3.034 4.094 -0.139 . . . 1.0 . . . . . . . . . . . . A . 15 CYS HB3 . . . . . . . . . c18964_2m3i 1 . 11 . 2107 . 1 1 15 CYS N N 4.118 3.510 2.337 . . . 1.0 . . . . . . . . . . . . A . 15 CYS N . . . . . . . . . c18964_2m3i 1 . 11 . 2108 . 1 1 15 CYS O O 1.340 2.942 0.971 . . . 1.0 . . . . . . . . . . . . A . 15 CYS O . . . . . . . . . c18964_2m3i 1 . 11 . 2109 . 1 1 15 CYS SG S 2.341 6.395 0.076 . . . 1.0 . . . . . . . . . . . . A . 15 CYS SG . . . . . . . . . c18964_2m3i 1 . 11 . 2110 . 1 1 16 NH2 HN1 H 1.488 3.989 3.878 . . . 1.0 . . . . . . . . . . . . A . 16 NH2 HN1 . . . . . . . . . c18964_2m3i 1 . 11 . 2111 . 1 1 16 NH2 HN2 H 0.285 2.956 3.183 . . . 1.0 . . . . . . . . . . . . A . 16 NH2 HN2 . . . . . . . . . c18964_2m3i 1 . 11 . 2112 . 1 1 16 NH2 N N 1.107 3.486 3.127 . . . 1.0 . . . . . . . . . . . . A . 16 NH2 N . . . . . . . . . c18964_2m3i 1 . 12 . 2113 . 1 1 1 GLY C C -3.049 5.873 -4.763 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c18964_2m3i 1 . 12 . 2114 . 1 1 1 GLY CA C -2.156 6.646 -5.704 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c18964_2m3i 1 . 12 . 2115 . 1 1 1 GLY H1 H -0.524 6.724 -4.443 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c18964_2m3i 1 . 12 . 2116 . 1 1 1 GLY H2 H -1.581 8.013 -4.279 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H2 . . . . . . . . . c18964_2m3i 1 . 12 . 2117 . 1 1 1 GLY H3 H -0.542 7.946 -5.609 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H3 . . . . . . . . . c18964_2m3i 1 . 12 . 2118 . 1 1 1 GLY HA2 H -2.758 7.340 -6.268 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c18964_2m3i 1 . 12 . 2119 . 1 1 1 GLY HA3 H -1.667 5.964 -6.383 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c18964_2m3i 1 . 12 . 2120 . 1 1 1 GLY N N -1.134 7.382 -4.971 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c18964_2m3i 1 . 12 . 2121 . 1 1 1 GLY O O -4.054 6.394 -4.288 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c18964_2m3i 1 . 12 . 2122 . 1 1 2 CYS C C -3.052 4.094 -2.145 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . c18964_2m3i 1 . 12 . 2123 . 1 1 2 CYS CA C -3.436 3.821 -3.585 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . c18964_2m3i 1 . 12 . 2124 . 1 1 2 CYS CB C -3.199 2.365 -3.945 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . c18964_2m3i 1 . 12 . 2125 . 1 1 2 CYS H H -1.887 4.236 -4.871 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . c18964_2m3i 1 . 12 . 2126 . 1 1 2 CYS HA H -4.485 4.037 -3.716 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . c18964_2m3i 1 . 12 . 2127 . 1 1 2 CYS HB2 H -3.359 1.818 -3.034 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . c18964_2m3i 1 . 12 . 2128 . 1 1 2 CYS HB3 H -3.878 2.045 -4.713 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . c18964_2m3i 1 . 12 . 2129 . 1 1 2 CYS N N -2.690 4.645 -4.477 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . c18964_2m3i 1 . 12 . 2130 . 1 1 2 CYS O O -3.829 4.659 -1.378 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . c18964_2m3i 1 . 12 . 2131 . 1 1 2 CYS SG S -1.490 1.961 -4.471 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . c18964_2m3i 1 . 12 . 2132 . 1 1 3 CYS C C -1.937 3.099 0.621 . . . 1.0 . . . . . . . . . . . . A . 3 CYS C . . . . . . . . . c18964_2m3i 1 . 12 . 2133 . 1 1 3 CYS CA C -1.213 3.840 -0.518 . . . 1.0 . . . . . . . . . . . . A . 3 CYS CA . . . . . . . . . c18964_2m3i 1 . 12 . 2134 . 1 1 3 CYS CB C -0.979 5.305 -0.202 . . . 1.0 . . . . . . . . . . . . A . 3 CYS CB . . . . . . . . . c18964_2m3i 1 . 12 . 2135 . 1 1 3 CYS H H -1.338 3.233 -2.519 . . . 1.0 . . . . . . . . . . . . A . 3 CYS H . . . . . . . . . c18964_2m3i 1 . 12 . 2136 . 1 1 3 CYS HA H -0.249 3.361 -0.606 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HA . . . . . . . . . c18964_2m3i 1 . 12 . 2137 . 1 1 3 CYS HB2 H -0.413 5.713 -1.025 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HB2 . . . . . . . . . c18964_2m3i 1 . 12 . 2138 . 1 1 3 CYS HB3 H -1.937 5.799 -0.150 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HB3 . . . . . . . . . c18964_2m3i 1 . 12 . 2139 . 1 1 3 CYS N N -1.851 3.685 -1.816 . . . 1.0 . . . . . . . . . . . . A . 3 CYS N . . . . . . . . . c18964_2m3i 1 . 12 . 2140 . 1 1 3 CYS O O -1.453 2.081 1.085 . . . 1.0 . . . . . . . . . . . . A . 3 CYS O . . . . . . . . . c18964_2m3i 1 . 12 . 2141 . 1 1 3 CYS SG S -0.064 5.604 1.338 . . . 1.0 . . . . . . . . . . . . A . 3 CYS SG . . . . . . . . . c18964_2m3i 1 . 12 . 2142 . 1 1 4 SER C C -4.793 1.854 1.654 . . . 1.0 . . . . . . . . . . . . A . 4 SER C . . . . . . . . . c18964_2m3i 1 . 12 . 2143 . 1 1 4 SER CA C -3.857 2.991 2.130 . . . 1.0 . . . . . . . . . . . . A . 4 SER CA . . . . . . . . . c18964_2m3i 1 . 12 . 2144 . 1 1 4 SER CB C -4.646 4.119 2.838 . . . 1.0 . . . . . . . . . . . . A . 4 SER CB . . . . . . . . . c18964_2m3i 1 . 12 . 2145 . 1 1 4 SER H H -3.529 4.292 0.491 . . . 1.0 . . . . . . . . . . . . A . 4 SER H . . . . . . . . . c18964_2m3i 1 . 12 . 2146 . 1 1 4 SER HA H -3.135 2.579 2.819 . . . 1.0 . . . . . . . . . . . . A . 4 SER HA . . . . . . . . . c18964_2m3i 1 . 12 . 2147 . 1 1 4 SER HB2 H -3.971 4.926 3.080 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB2 . . . . . . . . . c18964_2m3i 1 . 12 . 2148 . 1 1 4 SER HB3 H -5.409 4.485 2.167 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB3 . . . . . . . . . c18964_2m3i 1 . 12 . 2149 . 1 1 4 SER HG H -5.981 3.079 3.798 . . . 1.0 . . . . . . . . . . . . A . 4 SER HG . . . . . . . . . c18964_2m3i 1 . 12 . 2150 . 1 1 4 SER N N -3.120 3.554 1.000 . . . 1.0 . . . . . . . . . . . . A . 4 SER N . . . . . . . . . c18964_2m3i 1 . 12 . 2151 . 1 1 4 SER O O -5.678 1.389 2.388 . . . 1.0 . . . . . . . . . . . . A . 4 SER O . . . . . . . . . c18964_2m3i 1 . 12 . 2152 . 1 1 4 SER OG O -5.268 3.685 4.045 . . . 1.0 . . . . . . . . . . . . A . 4 SER OG . . . . . . . . . c18964_2m3i 1 . 12 . 2153 . 1 1 5 HIS C C -4.649 -0.972 0.313 . . . 1.0 . . . . . . . . . . . . A . 5 HIS C . . . . . . . . . c18964_2m3i 1 . 12 . 2154 . 1 1 5 HIS CA C -5.321 0.305 -0.133 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CA . . . . . . . . . c18964_2m3i 1 . 12 . 2155 . 1 1 5 HIS CB C -5.286 0.432 -1.676 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CB . . . . . . . . . c18964_2m3i 1 . 12 . 2156 . 1 1 5 HIS CD2 C -7.437 -0.710 -2.589 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CD2 . . . . . . . . . c18964_2m3i 1 . 12 . 2157 . 1 1 5 HIS CE1 C -6.537 -2.266 -3.806 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CE1 . . . . . . . . . c18964_2m3i 1 . 12 . 2158 . 1 1 5 HIS CG C -6.094 -0.589 -2.444 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CG . . . . . . . . . c18964_2m3i 1 . 12 . 2159 . 1 1 5 HIS H H -3.766 1.745 -0.008 . . . 1.0 . . . . . . . . . . . . A . 5 HIS H . . . . . . . . . c18964_2m3i 1 . 12 . 2160 . 1 1 5 HIS HA H -6.336 0.350 0.230 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HA . . . . . . . . . c18964_2m3i 1 . 12 . 2161 . 1 1 5 HIS HB2 H -5.649 1.407 -1.960 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB2 . . . . . . . . . c18964_2m3i 1 . 12 . 2162 . 1 1 5 HIS HB3 H -4.259 0.339 -1.994 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB3 . . . . . . . . . c18964_2m3i 1 . 12 . 2163 . 1 1 5 HIS HD1 H -4.585 -1.797 -3.357 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD1 . . . . . . . . . c18964_2m3i 1 . 12 . 2164 . 1 1 5 HIS HD2 H -8.181 -0.088 -2.114 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD2 . . . . . . . . . c18964_2m3i 1 . 12 . 2165 . 1 1 5 HIS HE1 H -6.399 -3.106 -4.473 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HE1 . . . . . . . . . c18964_2m3i 1 . 12 . 2166 . 1 1 5 HIS N N -4.547 1.383 0.457 . . . 1.0 . . . . . . . . . . . . A . 5 HIS N . . . . . . . . . c18964_2m3i 1 . 12 . 2167 . 1 1 5 HIS ND1 N -5.539 -1.591 -3.224 . . . 1.0 . . . . . . . . . . . . A . 5 HIS ND1 . . . . . . . . . c18964_2m3i 1 . 12 . 2168 . 1 1 5 HIS NE2 N -7.714 -1.771 -3.452 . . . 1.0 . . . . . . . . . . . . A . 5 HIS NE2 . . . . . . . . . c18964_2m3i 1 . 12 . 2169 . 1 1 5 HIS O O -3.424 -1.038 0.229 . . . 1.0 . . . . . . . . . . . . A . 5 HIS O . . . . . . . . . c18964_2m3i 1 . 12 . 2170 . 1 1 6 PRO C C -3.749 -3.791 0.438 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . c18964_2m3i 1 . 12 . 2171 . 1 1 6 PRO CA C -4.841 -3.236 1.346 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . c18964_2m3i 1 . 12 . 2172 . 1 1 6 PRO CB C -6.032 -4.178 1.426 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . c18964_2m3i 1 . 12 . 2173 . 1 1 6 PRO CD C -6.886 -1.988 0.889 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . c18964_2m3i 1 . 12 . 2174 . 1 1 6 PRO CG C -7.215 -3.280 1.593 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . c18964_2m3i 1 . 12 . 2175 . 1 1 6 PRO HA H -4.422 -3.072 2.328 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . c18964_2m3i 1 . 12 . 2176 . 1 1 6 PRO HB2 H -6.086 -4.769 0.526 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB2 . . . . . . . . . c18964_2m3i 1 . 12 . 2177 . 1 1 6 PRO HB3 H -5.915 -4.831 2.278 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . c18964_2m3i 1 . 12 . 2178 . 1 1 6 PRO HD2 H -7.318 -1.970 -0.100 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD2 . . . . . . . . . c18964_2m3i 1 . 12 . 2179 . 1 1 6 PRO HD3 H -7.240 -1.149 1.470 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . c18964_2m3i 1 . 12 . 2180 . 1 1 6 PRO HG2 H -8.084 -3.734 1.143 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG2 . . . . . . . . . c18964_2m3i 1 . 12 . 2181 . 1 1 6 PRO HG3 H -7.393 -3.099 2.642 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . c18964_2m3i 1 . 12 . 2182 . 1 1 6 PRO N N -5.411 -1.983 0.815 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . c18964_2m3i 1 . 12 . 2183 . 1 1 6 PRO O O -2.566 -3.875 0.843 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . c18964_2m3i 1 . 12 . 2184 . 1 1 7 VAL C C -2.454 -3.233 -2.343 . . . 1.0 . . . . . . . . . . . . A . 7 VAL C . . . . . . . . . c18964_2m3i 1 . 12 . 2185 . 1 1 7 VAL CA C -3.102 -4.489 -1.754 . . . 1.0 . . . . . . . . . . . . A . 7 VAL CA . . . . . . . . . c18964_2m3i 1 . 12 . 2186 . 1 1 7 VAL CB C -3.652 -5.416 -2.876 . . . 1.0 . . . . . . . . . . . . A . 7 VAL CB . . . . . . . . . c18964_2m3i 1 . 12 . 2187 . 1 1 7 VAL CG1 C -2.521 -5.886 -3.789 . . . 1.0 . . . . . . . . . . . . A . 7 VAL CG1 . . . . . . . . . c18964_2m3i 1 . 12 . 2188 . 1 1 7 VAL CG2 C -4.361 -6.617 -2.274 . . . 1.0 . . . . . . . . . . . . A . 7 VAL CG2 . . . . . . . . . c18964_2m3i 1 . 12 . 2189 . 1 1 7 VAL H H -5.041 -4.020 -1.076 . . . 1.0 . . . . . . . . . . . . A . 7 VAL H . . . . . . . . . c18964_2m3i 1 . 12 . 2190 . 1 1 7 VAL HA H -2.339 -5.010 -1.192 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HA . . . . . . . . . c18964_2m3i 1 . 12 . 2191 . 1 1 7 VAL HB H -4.361 -4.856 -3.467 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HB . . . . . . . . . c18964_2m3i 1 . 12 . 2192 . 1 1 7 VAL HG11 H -2.917 -6.524 -4.562 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG11 . . . . . . . . . c18964_2m3i 1 . 12 . 2193 . 1 1 7 VAL HG12 H -1.796 -6.436 -3.207 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG12 . . . . . . . . . c18964_2m3i 1 . 12 . 2194 . 1 1 7 VAL HG13 H -2.043 -5.028 -4.238 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG13 . . . . . . . . . c18964_2m3i 1 . 12 . 2195 . 1 1 7 VAL HG21 H -4.791 -7.216 -3.064 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG21 . . . . . . . . . c18964_2m3i 1 . 12 . 2196 . 1 1 7 VAL HG22 H -5.136 -6.290 -1.597 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG22 . . . . . . . . . c18964_2m3i 1 . 12 . 2197 . 1 1 7 VAL HG23 H -3.645 -7.214 -1.731 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG23 . . . . . . . . . c18964_2m3i 1 . 12 . 2198 . 1 1 7 VAL N N -4.098 -4.082 -0.804 . . . 1.0 . . . . . . . . . . . . A . 7 VAL N . . . . . . . . . c18964_2m3i 1 . 12 . 2199 . 1 1 7 VAL O O -2.847 -2.735 -3.395 . . . 1.0 . . . . . . . . . . . . A . 7 VAL O . . . . . . . . . c18964_2m3i 1 . 12 . 2200 . 1 1 8 CYS C C -0.015 -1.097 -0.605 . . . 1.0 . . . . . . . . . . . . A . 8 CYS C . . . . . . . . . c18964_2m3i 1 . 12 . 2201 . 1 1 8 CYS CA C -0.787 -1.482 -1.852 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CA . . . . . . . . . c18964_2m3i 1 . 12 . 2202 . 1 1 8 CYS CB C -1.605 -0.276 -2.361 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CB . . . . . . . . . c18964_2m3i 1 . 12 . 2203 . 1 1 8 CYS H H -1.554 -3.037 -0.630 . . . 1.0 . . . . . . . . . . . . A . 8 CYS H . . . . . . . . . c18964_2m3i 1 . 12 . 2204 . 1 1 8 CYS HA H -0.076 -1.792 -2.603 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HA . . . . . . . . . c18964_2m3i 1 . 12 . 2205 . 1 1 8 CYS HB2 H -2.185 -0.571 -3.224 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB2 . . . . . . . . . c18964_2m3i 1 . 12 . 2206 . 1 1 8 CYS HB3 H -2.272 0.040 -1.572 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB3 . . . . . . . . . c18964_2m3i 1 . 12 . 2207 . 1 1 8 CYS N N -1.602 -2.649 -1.532 . . . 1.0 . . . . . . . . . . . . A . 8 CYS N . . . . . . . . . c18964_2m3i 1 . 12 . 2208 . 1 1 8 CYS O O 1.183 -0.886 -0.664 . . . 1.0 . . . . . . . . . . . . A . 8 CYS O . . . . . . . . . c18964_2m3i 1 . 12 . 2209 . 1 1 8 CYS SG S -0.583 1.162 -2.834 . . . 1.0 . . . . . . . . . . . . A . 8 CYS SG . . . . . . . . . c18964_2m3i 1 . 12 . 2210 . 1 1 9 SER C C 0.975 -1.892 2.115 . . . 1.0 . . . . . . . . . . . . A . 9 SER C . . . . . . . . . c18964_2m3i 1 . 12 . 2211 . 1 1 9 SER CA C -0.044 -0.792 1.815 . . . 1.0 . . . . . . . . . . . . A . 9 SER CA . . . . . . . . . c18964_2m3i 1 . 12 . 2212 . 1 1 9 SER CB C -1.063 -0.766 2.931 . . . 1.0 . . . . . . . . . . . . A . 9 SER CB . . . . . . . . . c18964_2m3i 1 . 12 . 2213 . 1 1 9 SER H H -1.676 -1.184 0.566 . . . 1.0 . . . . . . . . . . . . A . 9 SER H . . . . . . . . . c18964_2m3i 1 . 12 . 2214 . 1 1 9 SER HA H 0.406 0.184 1.717 . . . 1.0 . . . . . . . . . . . . A . 9 SER HA . . . . . . . . . c18964_2m3i 1 . 12 . 2215 . 1 1 9 SER HB2 H -1.433 -1.767 3.097 . . . 1.0 . . . . . . . . . . . . A . 9 SER HB2 . . . . . . . . . c18964_2m3i 1 . 12 . 2216 . 1 1 9 SER HB3 H -0.581 -0.403 3.826 . . . 1.0 . . . . . . . . . . . . A . 9 SER HB3 . . . . . . . . . c18964_2m3i 1 . 12 . 2217 . 1 1 9 SER HG H -1.798 0.841 2.135 . . . 1.0 . . . . . . . . . . . . A . 9 SER HG . . . . . . . . . c18964_2m3i 1 . 12 . 2218 . 1 1 9 SER N N -0.698 -1.070 0.548 . . . 1.0 . . . . . . . . . . . . A . 9 SER N . . . . . . . . . c18964_2m3i 1 . 12 . 2219 . 1 1 9 SER O O 2.018 -1.659 2.718 . . . 1.0 . . . . . . . . . . . . A . 9 SER O . . . . . . . . . c18964_2m3i 1 . 12 . 2220 . 1 1 9 SER OG O -2.151 0.082 2.624 . . . 1.0 . . . . . . . . . . . . A . 9 SER OG . . . . . . . . . c18964_2m3i 1 . 12 . 2221 . 1 1 10 ALA C C 2.610 -4.212 0.806 . . . 1.0 . . . . . . . . . . . . A . 10 ALA C . . . . . . . . . c18964_2m3i 1 . 12 . 2222 . 1 1 10 ALA CA C 1.497 -4.249 1.837 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CA . . . . . . . . . c18964_2m3i 1 . 12 . 2223 . 1 1 10 ALA CB C 0.683 -5.514 1.671 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CB . . . . . . . . . c18964_2m3i 1 . 12 . 2224 . 1 1 10 ALA H H -0.252 -3.224 1.290 . . . 1.0 . . . . . . . . . . . . A . 10 ALA H . . . . . . . . . c18964_2m3i 1 . 12 . 2225 . 1 1 10 ALA HA H 1.928 -4.242 2.826 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HA . . . . . . . . . c18964_2m3i 1 . 12 . 2226 . 1 1 10 ALA HB1 H 1.331 -6.371 1.775 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB1 . . . . . . . . . c18964_2m3i 1 . 12 . 2227 . 1 1 10 ALA HB2 H 0.231 -5.522 0.690 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB2 . . . . . . . . . c18964_2m3i 1 . 12 . 2228 . 1 1 10 ALA HB3 H -0.091 -5.551 2.423 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB3 . . . . . . . . . c18964_2m3i 1 . 12 . 2229 . 1 1 10 ALA N N 0.636 -3.099 1.688 . . . 1.0 . . . . . . . . . . . . A . 10 ALA N . . . . . . . . . c18964_2m3i 1 . 12 . 2230 . 1 1 10 ALA O O 3.676 -4.776 1.011 . . . 1.0 . . . . . . . . . . . . A . 10 ALA O . . . . . . . . . c18964_2m3i 1 . 12 . 2231 . 1 1 11 MET C C 4.330 -2.366 -1.103 . . . 1.0 . . . . . . . . . . . . A . 11 MET C . . . . . . . . . c18964_2m3i 1 . 12 . 2232 . 1 1 11 MET CA C 3.334 -3.447 -1.368 . . . 1.0 . . . . . . . . . . . . A . 11 MET CA . . . . . . . . . c18964_2m3i 1 . 12 . 2233 . 1 1 11 MET CB C 2.668 -3.261 -2.726 . . . 1.0 . . . . . . . . . . . . A . 11 MET CB . . . . . . . . . c18964_2m3i 1 . 12 . 2234 . 1 1 11 MET CE C 1.260 -7.045 -3.712 . . . 1.0 . . . . . . . . . . . . A . 11 MET CE . . . . . . . . . c18964_2m3i 1 . 12 . 2235 . 1 1 11 MET CG C 1.751 -4.402 -3.117 . . . 1.0 . . . . . . . . . . . . A . 11 MET CG . . . . . . . . . c18964_2m3i 1 . 12 . 2236 . 1 1 11 MET H H 1.529 -3.018 -0.352 . . . 1.0 . . . . . . . . . . . . A . 11 MET H . . . . . . . . . c18964_2m3i 1 . 12 . 2237 . 1 1 11 MET HA H 3.874 -4.377 -1.363 . . . 1.0 . . . . . . . . . . . . A . 11 MET HA . . . . . . . . . c18964_2m3i 1 . 12 . 2238 . 1 1 11 MET HB2 H 2.086 -2.352 -2.702 . . . 1.0 . . . . . . . . . . . . A . 11 MET HB2 . . . . . . . . . c18964_2m3i 1 . 12 . 2239 . 1 1 11 MET HB3 H 3.434 -3.167 -3.482 . . . 1.0 . . . . . . . . . . . . A . 11 MET HB3 . . . . . . . . . c18964_2m3i 1 . 12 . 2240 . 1 1 11 MET HE1 H 1.609 -8.063 -3.792 . . . 1.0 . . . . . . . . . . . . A . 11 MET HE1 . . . . . . . . . c18964_2m3i 1 . 12 . 2241 . 1 1 11 MET HE2 H 0.905 -6.709 -4.676 . . . 1.0 . . . . . . . . . . . . A . 11 MET HE2 . . . . . . . . . c18964_2m3i 1 . 12 . 2242 . 1 1 11 MET HE3 H 0.453 -6.997 -2.995 . . . 1.0 . . . . . . . . . . . . A . 11 MET HE3 . . . . . . . . . c18964_2m3i 1 . 12 . 2243 . 1 1 11 MET HG2 H 0.953 -4.464 -2.391 . . . 1.0 . . . . . . . . . . . . A . 11 MET HG2 . . . . . . . . . c18964_2m3i 1 . 12 . 2244 . 1 1 11 MET HG3 H 1.330 -4.201 -4.090 . . . 1.0 . . . . . . . . . . . . A . 11 MET HG3 . . . . . . . . . c18964_2m3i 1 . 12 . 2245 . 1 1 11 MET N N 2.367 -3.519 -0.289 . . . 1.0 . . . . . . . . . . . . A . 11 MET N . . . . . . . . . c18964_2m3i 1 . 12 . 2246 . 1 1 11 MET O O 5.505 -2.485 -1.428 . . . 1.0 . . . . . . . . . . . . A . 11 MET O . . . . . . . . . c18964_2m3i 1 . 12 . 2247 . 1 1 11 MET SD S 2.599 -5.993 -3.169 . . . 1.0 . . . . . . . . . . . . A . 11 MET SD . . . . . . . . . c18964_2m3i 1 . 12 . 2248 . 1 1 12 SER C C 4.313 0.212 1.270 . . . 1.0 . . . . . . . . . . . . A . 12 SER C . . . . . . . . . c18964_2m3i 1 . 12 . 2249 . 1 1 12 SER CA C 4.706 -0.267 -0.121 . . . 1.0 . . . . . . . . . . . . A . 12 SER CA . . . . . . . . . c18964_2m3i 1 . 12 . 2250 . 1 1 12 SER CB C 4.621 0.875 -1.114 . . . 1.0 . . . . . . . . . . . . A . 12 SER CB . . . . . . . . . c18964_2m3i 1 . 12 . 2251 . 1 1 12 SER H H 2.906 -1.282 -0.363 . . . 1.0 . . . . . . . . . . . . A . 12 SER H . . . . . . . . . c18964_2m3i 1 . 12 . 2252 . 1 1 12 SER HA H 5.722 -0.633 -0.102 . . . 1.0 . . . . . . . . . . . . A . 12 SER HA . . . . . . . . . c18964_2m3i 1 . 12 . 2253 . 1 1 12 SER HB2 H 4.627 0.450 -2.105 . . . 1.0 . . . . . . . . . . . . A . 12 SER HB2 . . . . . . . . . c18964_2m3i 1 . 12 . 2254 . 1 1 12 SER HB3 H 3.687 1.394 -0.950 . . . 1.0 . . . . . . . . . . . . A . 12 SER HB3 . . . . . . . . . c18964_2m3i 1 . 12 . 2255 . 1 1 12 SER HG H 6.294 1.644 -1.682 . . . 1.0 . . . . . . . . . . . . A . 12 SER HG . . . . . . . . . c18964_2m3i 1 . 12 . 2256 . 1 1 12 SER N N 3.872 -1.331 -0.513 . . . 1.0 . . . . . . . . . . . . A . 12 SER N . . . . . . . . . c18964_2m3i 1 . 12 . 2257 . 1 1 12 SER O O 3.447 1.077 1.424 . . . 1.0 . . . . . . . . . . . . A . 12 SER O . . . . . . . . . c18964_2m3i 1 . 12 . 2258 . 1 1 12 SER OG O 5.695 1.792 -0.937 . . . 1.0 . . . . . . . . . . . . A . 12 SER OG . . . . . . . . . c18964_2m3i 1 . 12 . 2259 . 1 1 13 PRO C C 5.483 1.353 3.971 . . . 1.0 . . . . . . . . . . . . A . 13 PRO C . . . . . . . . . c18964_2m3i 1 . 12 . 2260 . 1 1 13 PRO CA C 4.689 0.077 3.691 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CA . . . . . . . . . c18964_2m3i 1 . 12 . 2261 . 1 1 13 PRO CB C 5.190 -1.089 4.543 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CB . . . . . . . . . c18964_2m3i 1 . 12 . 2262 . 1 1 13 PRO CD C 5.838 -1.524 2.257 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CD . . . . . . . . . c18964_2m3i 1 . 12 . 2263 . 1 1 13 PRO CG C 6.187 -1.798 3.693 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CG . . . . . . . . . c18964_2m3i 1 . 12 . 2264 . 1 1 13 PRO HA H 3.640 0.264 3.871 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HA . . . . . . . . . c18964_2m3i 1 . 12 . 2265 . 1 1 13 PRO HB2 H 5.640 -0.708 5.446 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HB2 . . . . . . . . . c18964_2m3i 1 . 12 . 2266 . 1 1 13 PRO HB3 H 4.363 -1.736 4.796 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HB3 . . . . . . . . . c18964_2m3i 1 . 12 . 2267 . 1 1 13 PRO HD2 H 6.728 -1.271 1.699 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HD2 . . . . . . . . . c18964_2m3i 1 . 12 . 2268 . 1 1 13 PRO HD3 H 5.348 -2.380 1.815 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HD3 . . . . . . . . . c18964_2m3i 1 . 12 . 2269 . 1 1 13 PRO HG2 H 7.172 -1.414 3.905 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HG2 . . . . . . . . . c18964_2m3i 1 . 12 . 2270 . 1 1 13 PRO HG3 H 6.139 -2.860 3.892 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HG3 . . . . . . . . . c18964_2m3i 1 . 12 . 2271 . 1 1 13 PRO N N 4.918 -0.368 2.320 . . . 1.0 . . . . . . . . . . . . A . 13 PRO N . . . . . . . . . c18964_2m3i 1 . 12 . 2272 . 1 1 13 PRO O O 5.493 1.881 5.069 . . . 1.0 . . . . . . . . . . . . A . 13 PRO O . . . . . . . . . c18964_2m3i 1 . 12 . 2273 . 1 1 14 ILE C C 5.966 4.244 2.914 . . . 1.0 . . . . . . . . . . . . A . 14 ILE C . . . . . . . . . c18964_2m3i 1 . 12 . 2274 . 1 1 14 ILE CA C 6.918 3.048 2.946 . . . 1.0 . . . . . . . . . . . . A . 14 ILE CA . . . . . . . . . c18964_2m3i 1 . 12 . 2275 . 1 1 14 ILE CB C 7.883 3.099 1.722 . . . 1.0 . . . . . . . . . . . . A . 14 ILE CB . . . . . . . . . c18964_2m3i 1 . 12 . 2276 . 1 1 14 ILE CD1 C 9.646 1.748 0.438 . . . 1.0 . . . . . . . . . . . . A . 14 ILE CD1 . . . . . . . . . c18964_2m3i 1 . 12 . 2277 . 1 1 14 ILE CG1 C 8.727 1.817 1.645 . . . 1.0 . . . . . . . . . . . . A . 14 ILE CG1 . . . . . . . . . c18964_2m3i 1 . 12 . 2278 . 1 1 14 ILE CG2 C 8.789 4.326 1.785 . . . 1.0 . . . . . . . . . . . . A . 14 ILE CG2 . . . . . . . . . c18964_2m3i 1 . 12 . 2279 . 1 1 14 ILE H H 6.104 1.299 2.108 . . . 1.0 . . . . . . . . . . . . A . 14 ILE H . . . . . . . . . c18964_2m3i 1 . 12 . 2280 . 1 1 14 ILE HA H 7.478 3.058 3.857 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HA . . . . . . . . . c18964_2m3i 1 . 12 . 2281 . 1 1 14 ILE HB H 7.283 3.170 0.828 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HB . . . . . . . . . c18964_2m3i 1 . 12 . 2282 . 1 1 14 ILE HD11 H 10.339 2.576 0.467 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HD11 . . . . . . . . . c18964_2m3i 1 . 12 . 2283 . 1 1 14 ILE HD12 H 9.058 1.802 -0.466 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HD12 . . . . . . . . . c18964_2m3i 1 . 12 . 2284 . 1 1 14 ILE HD13 H 10.195 0.817 0.455 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HD13 . . . . . . . . . c18964_2m3i 1 . 12 . 2285 . 1 1 14 ILE HG12 H 9.341 1.745 2.529 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HG12 . . . . . . . . . c18964_2m3i 1 . 12 . 2286 . 1 1 14 ILE HG13 H 8.065 0.964 1.609 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HG13 . . . . . . . . . c18964_2m3i 1 . 12 . 2287 . 1 1 14 ILE HG21 H 9.379 4.288 2.688 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HG21 . . . . . . . . . c18964_2m3i 1 . 12 . 2288 . 1 1 14 ILE HG22 H 8.185 5.221 1.786 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HG22 . . . . . . . . . c18964_2m3i 1 . 12 . 2289 . 1 1 14 ILE HG23 H 9.445 4.334 0.927 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HG23 . . . . . . . . . c18964_2m3i 1 . 12 . 2290 . 1 1 14 ILE N N 6.143 1.829 2.928 . . . 1.0 . . . . . . . . . . . . A . 14 ILE N . . . . . . . . . c18964_2m3i 1 . 12 . 2291 . 1 1 14 ILE O O 6.302 5.361 3.313 . . . 1.0 . . . . . . . . . . . . A . 14 ILE O . . . . . . . . . c18964_2m3i 1 . 12 . 2292 . 1 1 15 CYS C C 2.962 5.075 3.654 . . . 1.0 . . . . . . . . . . . . A . 15 CYS C . . . . . . . . . c18964_2m3i 1 . 12 . 2293 . 1 1 15 CYS CA C 3.772 4.996 2.360 . . . 1.0 . . . . . . . . . . . . A . 15 CYS CA . . . . . . . . . c18964_2m3i 1 . 12 . 2294 . 1 1 15 CYS CB C 2.856 4.716 1.156 . . . 1.0 . . . . . . . . . . . . A . 15 CYS CB . . . . . . . . . c18964_2m3i 1 . 12 . 2295 . 1 1 15 CYS H H 4.618 3.037 2.275 . . . 1.0 . . . . . . . . . . . . A . 15 CYS H . . . . . . . . . c18964_2m3i 1 . 12 . 2296 . 1 1 15 CYS HA H 4.276 5.940 2.211 . . . 1.0 . . . . . . . . . . . . A . 15 CYS HA . . . . . . . . . c18964_2m3i 1 . 12 . 2297 . 1 1 15 CYS HB2 H 3.460 4.469 0.296 . . . 1.0 . . . . . . . . . . . . A . 15 CYS HB2 . . . . . . . . . c18964_2m3i 1 . 12 . 2298 . 1 1 15 CYS HB3 H 2.218 3.878 1.391 . . . 1.0 . . . . . . . . . . . . A . 15 CYS HB3 . . . . . . . . . c18964_2m3i 1 . 12 . 2299 . 1 1 15 CYS N N 4.784 3.979 2.484 . . . 1.0 . . . . . . . . . . . . A . 15 CYS N . . . . . . . . . c18964_2m3i 1 . 12 . 2300 . 1 1 15 CYS O O 1.976 4.352 3.839 . . . 1.0 . . . . . . . . . . . . A . 15 CYS O . . . . . . . . . c18964_2m3i 1 . 12 . 2301 . 1 1 15 CYS SG S 1.783 6.121 0.696 . . . 1.0 . . . . . . . . . . . . A . 15 CYS SG . . . . . . . . . c18964_2m3i 1 . 12 . 2302 . 1 1 16 NH2 HN1 H 4.182 6.452 4.349 . . . 1.0 . . . . . . . . . . . . A . 16 NH2 HN1 . . . . . . . . . c18964_2m3i 1 . 12 . 2303 . 1 1 16 NH2 HN2 H 2.920 5.966 5.421 . . . 1.0 . . . . . . . . . . . . A . 16 NH2 HN2 . . . . . . . . . c18964_2m3i 1 . 12 . 2304 . 1 1 16 NH2 N N 3.394 5.911 4.565 . . . 1.0 . . . . . . . . . . . . A . 16 NH2 N . . . . . . . . . c18964_2m3i 1 . 13 . 2305 . 1 1 1 GLY C C -4.569 4.989 -2.532 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c18964_2m3i 1 . 13 . 2306 . 1 1 1 GLY CA C -4.729 6.478 -2.687 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c18964_2m3i 1 . 13 . 2307 . 1 1 1 GLY H1 H -5.942 7.832 -3.689 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c18964_2m3i 1 . 13 . 2308 . 1 1 1 GLY H2 H -6.722 6.424 -3.170 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H2 . . . . . . . . . c18964_2m3i 1 . 13 . 2309 . 1 1 1 GLY H3 H -5.699 6.362 -4.504 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H3 . . . . . . . . . c18964_2m3i 1 . 13 . 2310 . 1 1 1 GLY HA2 H -3.817 6.890 -3.093 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c18964_2m3i 1 . 13 . 2311 . 1 1 1 GLY HA3 H -4.914 6.917 -1.718 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c18964_2m3i 1 . 13 . 2312 . 1 1 1 GLY N N -5.843 6.805 -3.574 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c18964_2m3i 1 . 13 . 2313 . 1 1 1 GLY O O -5.156 4.388 -1.645 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c18964_2m3i 1 . 13 . 2314 . 1 1 2 CYS C C -2.868 2.542 -2.106 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . c18964_2m3i 1 . 13 . 2315 . 1 1 2 CYS CA C -3.552 2.951 -3.377 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . c18964_2m3i 1 . 13 . 2316 . 1 1 2 CYS CB C -2.662 2.555 -4.519 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . c18964_2m3i 1 . 13 . 2317 . 1 1 2 CYS H H -3.270 4.945 -4.029 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . c18964_2m3i 1 . 13 . 2318 . 1 1 2 CYS HA H -4.501 2.447 -3.473 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . c18964_2m3i 1 . 13 . 2319 . 1 1 2 CYS HB2 H -2.866 3.206 -5.351 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . c18964_2m3i 1 . 13 . 2320 . 1 1 2 CYS HB3 H -1.659 2.747 -4.167 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . c18964_2m3i 1 . 13 . 2321 . 1 1 2 CYS N N -3.760 4.392 -3.379 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . c18964_2m3i 1 . 13 . 2322 . 1 1 2 CYS O O -3.101 1.477 -1.579 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . c18964_2m3i 1 . 13 . 2323 . 1 1 2 CYS SG S -2.782 0.777 -4.977 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . c18964_2m3i 1 . 13 . 2324 . 1 1 3 CYS C C -2.204 3.262 0.826 . . . 1.0 . . . . . . . . . . . . A . 3 CYS C . . . . . . . . . c18964_2m3i 1 . 13 . 2325 . 1 1 3 CYS CA C -1.290 3.174 -0.397 . . . 1.0 . . . . . . . . . . . . A . 3 CYS CA . . . . . . . . . c18964_2m3i 1 . 13 . 2326 . 1 1 3 CYS CB C -0.142 4.140 -0.300 . . . 1.0 . . . . . . . . . . . . A . 3 CYS CB . . . . . . . . . c18964_2m3i 1 . 13 . 2327 . 1 1 3 CYS H H -1.860 4.238 -2.117 . . . 1.0 . . . . . . . . . . . . A . 3 CYS H . . . . . . . . . c18964_2m3i 1 . 13 . 2328 . 1 1 3 CYS HA H -0.896 2.173 -0.470 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HA . . . . . . . . . c18964_2m3i 1 . 13 . 2329 . 1 1 3 CYS HB2 H -0.521 5.149 -0.255 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HB2 . . . . . . . . . c18964_2m3i 1 . 13 . 2330 . 1 1 3 CYS HB3 H 0.390 3.918 0.608 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HB3 . . . . . . . . . c18964_2m3i 1 . 13 . 2331 . 1 1 3 CYS N N -2.022 3.407 -1.617 . . . 1.0 . . . . . . . . . . . . A . 3 CYS N . . . . . . . . . c18964_2m3i 1 . 13 . 2332 . 1 1 3 CYS O O -1.837 2.876 1.930 . . . 1.0 . . . . . . . . . . . . A . 3 CYS O . . . . . . . . . c18964_2m3i 1 . 13 . 2333 . 1 1 3 CYS SG S 1.014 4.027 -1.707 . . . 1.0 . . . . . . . . . . . . A . 3 CYS SG . . . . . . . . . c18964_2m3i 1 . 13 . 2334 . 1 1 4 SER C C -5.315 2.539 1.489 . . . 1.0 . . . . . . . . . . . . A . 4 SER C . . . . . . . . . c18964_2m3i 1 . 13 . 2335 . 1 1 4 SER CA C -4.431 3.785 1.624 . . . 1.0 . . . . . . . . . . . . A . 4 SER CA . . . . . . . . . c18964_2m3i 1 . 13 . 2336 . 1 1 4 SER CB C -5.293 5.038 1.458 . . . 1.0 . . . . . . . . . . . . A . 4 SER CB . . . . . . . . . c18964_2m3i 1 . 13 . 2337 . 1 1 4 SER H H -3.570 4.075 -0.308 . . . 1.0 . . . . . . . . . . . . A . 4 SER H . . . . . . . . . c18964_2m3i 1 . 13 . 2338 . 1 1 4 SER HA H -3.959 3.794 2.595 . . . 1.0 . . . . . . . . . . . . A . 4 SER HA . . . . . . . . . c18964_2m3i 1 . 13 . 2339 . 1 1 4 SER HB2 H -5.820 4.983 0.517 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB2 . . . . . . . . . c18964_2m3i 1 . 13 . 2340 . 1 1 4 SER HB3 H -6.007 5.087 2.267 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB3 . . . . . . . . . c18964_2m3i 1 . 13 . 2341 . 1 1 4 SER HG H -3.588 5.944 1.308 . . . 1.0 . . . . . . . . . . . . A . 4 SER HG . . . . . . . . . c18964_2m3i 1 . 13 . 2342 . 1 1 4 SER N N -3.398 3.743 0.601 . . . 1.0 . . . . . . . . . . . . A . 4 SER N . . . . . . . . . c18964_2m3i 1 . 13 . 2343 . 1 1 4 SER O O -6.408 2.470 2.049 . . . 1.0 . . . . . . . . . . . . A . 4 SER O . . . . . . . . . c18964_2m3i 1 . 13 . 2344 . 1 1 4 SER OG O -4.500 6.222 1.469 . . . 1.0 . . . . . . . . . . . . A . 4 SER OG . . . . . . . . . c18964_2m3i 1 . 13 . 2345 . 1 1 5 HIS C C -4.542 -0.828 0.514 . . . 1.0 . . . . . . . . . . . . A . 5 HIS C . . . . . . . . . c18964_2m3i 1 . 13 . 2346 . 1 1 5 HIS CA C -5.551 0.339 0.507 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CA . . . . . . . . . c18964_2m3i 1 . 13 . 2347 . 1 1 5 HIS CB C -6.314 0.434 -0.840 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CB . . . . . . . . . c18964_2m3i 1 . 13 . 2348 . 1 1 5 HIS CD2 C -8.284 -1.174 -0.320 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CD2 . . . . . . . . . c18964_2m3i 1 . 13 . 2349 . 1 1 5 HIS CE1 C -8.337 -2.292 -2.168 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CE1 . . . . . . . . . c18964_2m3i 1 . 13 . 2350 . 1 1 5 HIS CG C -7.291 -0.684 -1.102 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CG . . . . . . . . . c18964_2m3i 1 . 13 . 2351 . 1 1 5 HIS H H -3.952 1.657 0.312 . . . 1.0 . . . . . . . . . . . . A . 5 HIS H . . . . . . . . . c18964_2m3i 1 . 13 . 2352 . 1 1 5 HIS HA H -6.255 0.210 1.315 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HA . . . . . . . . . c18964_2m3i 1 . 13 . 2353 . 1 1 5 HIS HB2 H -6.863 1.362 -0.861 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB2 . . . . . . . . . c18964_2m3i 1 . 13 . 2354 . 1 1 5 HIS HB3 H -5.592 0.443 -1.643 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB3 . . . . . . . . . c18964_2m3i 1 . 13 . 2355 . 1 1 5 HIS HD1 H -6.803 -1.260 -3.083 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD1 . . . . . . . . . c18964_2m3i 1 . 13 . 2356 . 1 1 5 HIS HD2 H -8.545 -0.823 0.667 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD2 . . . . . . . . . c18964_2m3i 1 . 13 . 2357 . 1 1 5 HIS HE1 H -8.615 -2.996 -2.939 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HE1 . . . . . . . . . c18964_2m3i 1 . 13 . 2358 . 1 1 5 HIS N N -4.832 1.561 0.736 . . . 1.0 . . . . . . . . . . . . A . 5 HIS N . . . . . . . . . c18964_2m3i 1 . 13 . 2359 . 1 1 5 HIS ND1 N -7.347 -1.407 -2.274 . . . 1.0 . . . . . . . . . . . . A . 5 HIS ND1 . . . . . . . . . c18964_2m3i 1 . 13 . 2360 . 1 1 5 HIS NE2 N -8.940 -2.193 -0.997 . . . 1.0 . . . . . . . . . . . . A . 5 HIS NE2 . . . . . . . . . c18964_2m3i 1 . 13 . 2361 . 1 1 5 HIS O O -3.464 -0.718 -0.083 . . . 1.0 . . . . . . . . . . . . A . 5 HIS O . . . . . . . . . c18964_2m3i 1 . 13 . 2362 . 1 1 6 PRO C C -3.132 -3.491 0.174 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . c18964_2m3i 1 . 13 . 2363 . 1 1 6 PRO CA C -4.022 -3.142 1.383 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . c18964_2m3i 1 . 13 . 2364 . 1 1 6 PRO CB C -5.075 -4.207 1.593 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . c18964_2m3i 1 . 13 . 2365 . 1 1 6 PRO CD C -6.073 -2.068 2.081 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . c18964_2m3i 1 . 13 . 2366 . 1 1 6 PRO CG C -6.083 -3.535 2.461 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . c18964_2m3i 1 . 13 . 2367 . 1 1 6 PRO HA H -3.407 -3.095 2.269 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . c18964_2m3i 1 . 13 . 2368 . 1 1 6 PRO HB2 H -5.491 -4.490 0.636 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB2 . . . . . . . . . c18964_2m3i 1 . 13 . 2369 . 1 1 6 PRO HB3 H -4.644 -5.069 2.078 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . c18964_2m3i 1 . 13 . 2370 . 1 1 6 PRO HD2 H -6.958 -1.829 1.511 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD2 . . . . . . . . . c18964_2m3i 1 . 13 . 2371 . 1 1 6 PRO HD3 H -6.011 -1.448 2.964 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . c18964_2m3i 1 . 13 . 2372 . 1 1 6 PRO HG2 H -7.061 -3.961 2.290 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG2 . . . . . . . . . c18964_2m3i 1 . 13 . 2373 . 1 1 6 PRO HG3 H -5.803 -3.652 3.497 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . c18964_2m3i 1 . 13 . 2374 . 1 1 6 PRO N N -4.857 -1.927 1.246 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . c18964_2m3i 1 . 13 . 2375 . 1 1 6 PRO O O -1.939 -3.730 0.344 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . c18964_2m3i 1 . 13 . 2376 . 1 1 7 VAL C C -1.656 -3.093 -2.459 . . . 1.0 . . . . . . . . . . . . A . 7 VAL C . . . . . . . . . c18964_2m3i 1 . 13 . 2377 . 1 1 7 VAL CA C -3.009 -3.820 -2.277 . . . 1.0 . . . . . . . . . . . . A . 7 VAL CA . . . . . . . . . c18964_2m3i 1 . 13 . 2378 . 1 1 7 VAL CB C -3.900 -3.637 -3.541 . . . 1.0 . . . . . . . . . . . . A . 7 VAL CB . . . . . . . . . c18964_2m3i 1 . 13 . 2379 . 1 1 7 VAL CG1 C -5.115 -4.542 -3.476 . . . 1.0 . . . . . . . . . . . . A . 7 VAL CG1 . . . . . . . . . c18964_2m3i 1 . 13 . 2380 . 1 1 7 VAL CG2 C -4.339 -2.197 -3.707 . . . 1.0 . . . . . . . . . . . . A . 7 VAL CG2 . . . . . . . . . c18964_2m3i 1 . 13 . 2381 . 1 1 7 VAL H H -4.648 -3.166 -1.077 . . . 1.0 . . . . . . . . . . . . A . 7 VAL H . . . . . . . . . c18964_2m3i 1 . 13 . 2382 . 1 1 7 VAL HA H -2.779 -4.871 -2.183 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HA . . . . . . . . . c18964_2m3i 1 . 13 . 2383 . 1 1 7 VAL HB H -3.317 -3.922 -4.405 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HB . . . . . . . . . c18964_2m3i 1 . 13 . 2384 . 1 1 7 VAL HG11 H -5.721 -4.393 -4.358 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG11 . . . . . . . . . c18964_2m3i 1 . 13 . 2385 . 1 1 7 VAL HG12 H -5.695 -4.302 -2.597 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG12 . . . . . . . . . c18964_2m3i 1 . 13 . 2386 . 1 1 7 VAL HG13 H -4.799 -5.573 -3.429 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG13 . . . . . . . . . c18964_2m3i 1 . 13 . 2387 . 1 1 7 VAL HG21 H -4.912 -1.893 -2.842 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG21 . . . . . . . . . c18964_2m3i 1 . 13 . 2388 . 1 1 7 VAL HG22 H -4.951 -2.115 -4.593 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG22 . . . . . . . . . c18964_2m3i 1 . 13 . 2389 . 1 1 7 VAL HG23 H -3.471 -1.563 -3.808 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG23 . . . . . . . . . c18964_2m3i 1 . 13 . 2390 . 1 1 7 VAL N N -3.712 -3.453 -1.032 . . . 1.0 . . . . . . . . . . . . A . 7 VAL N . . . . . . . . . c18964_2m3i 1 . 13 . 2391 . 1 1 7 VAL O O -0.669 -3.706 -2.867 . . . 1.0 . . . . . . . . . . . . A . 7 VAL O . . . . . . . . . c18964_2m3i 1 . 13 . 2392 . 1 1 8 CYS C C 0.258 -0.864 -0.871 . . . 1.0 . . . . . . . . . . . . A . 8 CYS C . . . . . . . . . c18964_2m3i 1 . 13 . 2393 . 1 1 8 CYS CA C -0.345 -1.097 -2.244 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CA . . . . . . . . . c18964_2m3i 1 . 13 . 2394 . 1 1 8 CYS CB C -0.489 0.220 -3.012 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CB . . . . . . . . . c18964_2m3i 1 . 13 . 2395 . 1 1 8 CYS H H -2.411 -1.347 -1.859 . . . 1.0 . . . . . . . . . . . . A . 8 CYS H . . . . . . . . . c18964_2m3i 1 . 13 . 2396 . 1 1 8 CYS HA H 0.326 -1.743 -2.791 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HA . . . . . . . . . c18964_2m3i 1 . 13 . 2397 . 1 1 8 CYS HB2 H -1.282 0.792 -2.550 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB2 . . . . . . . . . c18964_2m3i 1 . 13 . 2398 . 1 1 8 CYS HB3 H 0.435 0.774 -2.940 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB3 . . . . . . . . . c18964_2m3i 1 . 13 . 2399 . 1 1 8 CYS N N -1.598 -1.817 -2.147 . . . 1.0 . . . . . . . . . . . . A . 8 CYS N . . . . . . . . . c18964_2m3i 1 . 13 . 2400 . 1 1 8 CYS O O 1.469 -0.745 -0.738 . . . 1.0 . . . . . . . . . . . . A . 8 CYS O . . . . . . . . . c18964_2m3i 1 . 13 . 2401 . 1 1 8 CYS SG S -0.901 0.026 -4.784 . . . 1.0 . . . . . . . . . . . . A . 8 CYS SG . . . . . . . . . c18964_2m3i 1 . 13 . 2402 . 1 1 9 SER C C 0.763 -1.792 2.011 . . . 1.0 . . . . . . . . . . . . A . 9 SER C . . . . . . . . . c18964_2m3i 1 . 13 . 2403 . 1 1 9 SER CA C -0.135 -0.628 1.511 . . . 1.0 . . . . . . . . . . . . A . 9 SER CA . . . . . . . . . c18964_2m3i 1 . 13 . 2404 . 1 1 9 SER CB C -1.339 -0.412 2.433 . . . 1.0 . . . . . . . . . . . . A . 9 SER CB . . . . . . . . . c18964_2m3i 1 . 13 . 2405 . 1 1 9 SER H H -1.544 -0.953 -0.010 . . . 1.0 . . . . . . . . . . . . A . 9 SER H . . . . . . . . . c18964_2m3i 1 . 13 . 2406 . 1 1 9 SER HA H 0.438 0.283 1.471 . . . 1.0 . . . . . . . . . . . . A . 9 SER HA . . . . . . . . . c18964_2m3i 1 . 13 . 2407 . 1 1 9 SER HB2 H -1.952 0.385 2.039 . . . 1.0 . . . . . . . . . . . . A . 9 SER HB2 . . . . . . . . . c18964_2m3i 1 . 13 . 2408 . 1 1 9 SER HB3 H -1.920 -1.321 2.473 . . . 1.0 . . . . . . . . . . . . A . 9 SER HB3 . . . . . . . . . c18964_2m3i 1 . 13 . 2409 . 1 1 9 SER HG H -1.735 -0.117 4.288 . . . 1.0 . . . . . . . . . . . . A . 9 SER HG . . . . . . . . . c18964_2m3i 1 . 13 . 2410 . 1 1 9 SER N N -0.583 -0.848 0.151 . . . 1.0 . . . . . . . . . . . . A . 9 SER N . . . . . . . . . c18964_2m3i 1 . 13 . 2411 . 1 1 9 SER O O 1.724 -1.583 2.758 . . . 1.0 . . . . . . . . . . . . A . 9 SER O . . . . . . . . . c18964_2m3i 1 . 13 . 2412 . 1 1 9 SER OG O -0.942 -0.066 3.743 . . . 1.0 . . . . . . . . . . . . A . 9 SER OG . . . . . . . . . c18964_2m3i 1 . 13 . 2413 . 1 1 10 ALA C C 2.379 -4.379 0.955 . . . 1.0 . . . . . . . . . . . . A . 10 ALA C . . . . . . . . . c18964_2m3i 1 . 13 . 2414 . 1 1 10 ALA CA C 1.268 -4.159 1.970 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CA . . . . . . . . . c18964_2m3i 1 . 13 . 2415 . 1 1 10 ALA CB C 0.404 -5.399 2.113 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CB . . . . . . . . . c18964_2m3i 1 . 13 . 2416 . 1 1 10 ALA H H -0.333 -3.144 1.022 . . . 1.0 . . . . . . . . . . . . A . 10 ALA H . . . . . . . . . c18964_2m3i 1 . 13 . 2417 . 1 1 10 ALA HA H 1.726 -3.937 2.922 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HA . . . . . . . . . c18964_2m3i 1 . 13 . 2418 . 1 1 10 ALA HB1 H 1.012 -6.224 2.452 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB1 . . . . . . . . . c18964_2m3i 1 . 13 . 2419 . 1 1 10 ALA HB2 H -0.031 -5.642 1.155 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB2 . . . . . . . . . c18964_2m3i 1 . 13 . 2420 . 1 1 10 ALA HB3 H -0.382 -5.211 2.830 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB3 . . . . . . . . . c18964_2m3i 1 . 13 . 2421 . 1 1 10 ALA N N 0.460 -3.007 1.588 . . . 1.0 . . . . . . . . . . . . A . 10 ALA N . . . . . . . . . c18964_2m3i 1 . 13 . 2422 . 1 1 10 ALA O O 3.300 -5.175 1.168 . . . 1.0 . . . . . . . . . . . . A . 10 ALA O . . . . . . . . . c18964_2m3i 1 . 13 . 2423 . 1 1 11 MET C C 4.431 -2.826 -0.830 . . . 1.0 . . . . . . . . . . . . A . 11 MET C . . . . . . . . . c18964_2m3i 1 . 13 . 2424 . 1 1 11 MET CA C 3.281 -3.720 -1.196 . . . 1.0 . . . . . . . . . . . . A . 11 MET CA . . . . . . . . . c18964_2m3i 1 . 13 . 2425 . 1 1 11 MET CB C 2.653 -3.302 -2.530 . . . 1.0 . . . . . . . . . . . . A . 11 MET CB . . . . . . . . . c18964_2m3i 1 . 13 . 2426 . 1 1 11 MET CE C 4.031 -2.995 -6.461 . . . 1.0 . . . . . . . . . . . . A . 11 MET CE . . . . . . . . . c18964_2m3i 1 . 13 . 2427 . 1 1 11 MET CG C 3.578 -3.344 -3.734 . . . 1.0 . . . . . . . . . . . . A . 11 MET CG . . . . . . . . . c18964_2m3i 1 . 13 . 2428 . 1 1 11 MET H H 1.529 -3.046 -0.219 . . . 1.0 . . . . . . . . . . . . A . 11 MET H . . . . . . . . . c18964_2m3i 1 . 13 . 2429 . 1 1 11 MET HA H 3.646 -4.726 -1.260 . . . 1.0 . . . . . . . . . . . . A . 11 MET HA . . . . . . . . . c18964_2m3i 1 . 13 . 2430 . 1 1 11 MET HB2 H 1.809 -3.942 -2.740 . . . 1.0 . . . . . . . . . . . . A . 11 MET HB2 . . . . . . . . . c18964_2m3i 1 . 13 . 2431 . 1 1 11 MET HB3 H 2.296 -2.289 -2.420 . . . 1.0 . . . . . . . . . . . . A . 11 MET HB3 . . . . . . . . . c18964_2m3i 1 . 13 . 2432 . 1 1 11 MET HE1 H 3.637 -2.785 -7.445 . . . 1.0 . . . . . . . . . . . . A . 11 MET HE1 . . . . . . . . . c18964_2m3i 1 . 13 . 2433 . 1 1 11 MET HE2 H 4.473 -3.979 -6.446 . . . 1.0 . . . . . . . . . . . . A . 11 MET HE2 . . . . . . . . . c18964_2m3i 1 . 13 . 2434 . 1 1 11 MET HE3 H 4.784 -2.261 -6.214 . . . 1.0 . . . . . . . . . . . . A . 11 MET HE3 . . . . . . . . . c18964_2m3i 1 . 13 . 2435 . 1 1 11 MET HG2 H 4.386 -2.645 -3.579 . . . 1.0 . . . . . . . . . . . . A . 11 MET HG2 . . . . . . . . . c18964_2m3i 1 . 13 . 2436 . 1 1 11 MET HG3 H 3.977 -4.342 -3.839 . . . 1.0 . . . . . . . . . . . . A . 11 MET HG3 . . . . . . . . . c18964_2m3i 1 . 13 . 2437 . 1 1 11 MET N N 2.291 -3.655 -0.137 . . . 1.0 . . . . . . . . . . . . A . 11 MET N . . . . . . . . . c18964_2m3i 1 . 13 . 2438 . 1 1 11 MET O O 5.600 -3.212 -0.869 . . . 1.0 . . . . . . . . . . . . A . 11 MET O . . . . . . . . . c18964_2m3i 1 . 13 . 2439 . 1 1 11 MET SD S 2.703 -2.907 -5.256 . . . 1.0 . . . . . . . . . . . . A . 11 MET SD . . . . . . . . . c18964_2m3i 1 . 13 . 2440 . 1 1 12 SER C C 4.478 -0.032 1.247 . . . 1.0 . . . . . . . . . . . . A . 12 SER C . . . . . . . . . c18964_2m3i 1 . 13 . 2441 . 1 1 12 SER CA C 5.014 -0.702 -0.012 . . . 1.0 . . . . . . . . . . . . A . 12 SER CA . . . . . . . . . c18964_2m3i 1 . 13 . 2442 . 1 1 12 SER CB C 5.253 0.332 -1.103 . . . 1.0 . . . . . . . . . . . . A . 12 SER CB . . . . . . . . . c18964_2m3i 1 . 13 . 2443 . 1 1 12 SER H H 3.136 -1.437 -0.492 . . . 1.0 . . . . . . . . . . . . A . 12 SER H . . . . . . . . . c18964_2m3i 1 . 13 . 2444 . 1 1 12 SER HA H 5.945 -1.201 0.204 . . . 1.0 . . . . . . . . . . . . A . 12 SER HA . . . . . . . . . c18964_2m3i 1 . 13 . 2445 . 1 1 12 SER HB2 H 5.405 -0.203 -2.025 . . . 1.0 . . . . . . . . . . . . A . 12 SER HB2 . . . . . . . . . c18964_2m3i 1 . 13 . 2446 . 1 1 12 SER HB3 H 4.367 0.943 -1.198 . . . 1.0 . . . . . . . . . . . . A . 12 SER HB3 . . . . . . . . . c18964_2m3i 1 . 13 . 2447 . 1 1 12 SER HG H 7.150 0.700 -1.121 . . . 1.0 . . . . . . . . . . . . A . 12 SER HG . . . . . . . . . c18964_2m3i 1 . 13 . 2448 . 1 1 12 SER N N 4.088 -1.660 -0.451 . . . 1.0 . . . . . . . . . . . . A . 12 SER N . . . . . . . . . c18964_2m3i 1 . 13 . 2449 . 1 1 12 SER O O 3.699 0.920 1.171 . . . 1.0 . . . . . . . . . . . . A . 12 SER O . . . . . . . . . c18964_2m3i 1 . 13 . 2450 . 1 1 12 SER OG O 6.369 1.167 -0.795 . . . 1.0 . . . . . . . . . . . . A . 12 SER OG . . . . . . . . . c18964_2m3i 1 . 13 . 2451 . 1 1 13 PRO C C 5.261 1.367 3.980 . . . 1.0 . . . . . . . . . . . . A . 13 PRO C . . . . . . . . . c18964_2m3i 1 . 13 . 2452 . 1 1 13 PRO CA C 4.467 0.082 3.711 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CA . . . . . . . . . c18964_2m3i 1 . 13 . 2453 . 1 1 13 PRO CB C 4.804 -0.998 4.741 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CB . . . . . . . . . c18964_2m3i 1 . 13 . 2454 . 1 1 13 PRO CD C 5.726 -1.718 2.635 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CD . . . . . . . . . c18964_2m3i 1 . 13 . 2455 . 1 1 13 PRO CG C 5.914 -1.786 4.126 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CG . . . . . . . . . c18964_2m3i 1 . 13 . 2456 . 1 1 13 PRO HA H 3.409 0.305 3.721 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HA . . . . . . . . . c18964_2m3i 1 . 13 . 2457 . 1 1 13 PRO HB2 H 5.112 -0.531 5.665 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HB2 . . . . . . . . . c18964_2m3i 1 . 13 . 2458 . 1 1 13 PRO HB3 H 3.935 -1.616 4.917 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HB3 . . . . . . . . . c18964_2m3i 1 . 13 . 2459 . 1 1 13 PRO HD2 H 6.682 -1.596 2.146 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HD2 . . . . . . . . . c18964_2m3i 1 . 13 . 2460 . 1 1 13 PRO HD3 H 5.230 -2.607 2.274 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HD3 . . . . . . . . . c18964_2m3i 1 . 13 . 2461 . 1 1 13 PRO HG2 H 6.865 -1.354 4.400 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HG2 . . . . . . . . . c18964_2m3i 1 . 13 . 2462 . 1 1 13 PRO HG3 H 5.861 -2.812 4.462 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HG3 . . . . . . . . . c18964_2m3i 1 . 13 . 2463 . 1 1 13 PRO N N 4.876 -0.521 2.435 . . . 1.0 . . . . . . . . . . . . A . 13 PRO N . . . . . . . . . c18964_2m3i 1 . 13 . 2464 . 1 1 13 PRO O O 5.150 1.992 5.025 . . . 1.0 . . . . . . . . . . . . A . 13 PRO O . . . . . . . . . c18964_2m3i 1 . 13 . 2465 . 1 1 14 ILE C C 6.038 4.083 2.530 . . . 1.0 . . . . . . . . . . . . A . 14 ILE C . . . . . . . . . c18964_2m3i 1 . 13 . 2466 . 1 1 14 ILE CA C 6.886 2.913 3.006 . . . 1.0 . . . . . . . . . . . . A . 14 ILE CA . . . . . . . . . c18964_2m3i 1 . 13 . 2467 . 1 1 14 ILE CB C 8.086 2.728 2.038 . . . 1.0 . . . . . . . . . . . . A . 14 ILE CB . . . . . . . . . c18964_2m3i 1 . 13 . 2468 . 1 1 14 ILE CD1 C 9.890 1.057 1.323 . . . 1.0 . . . . . . . . . . . . A . 14 ILE CD1 . . . . . . . . . c18964_2m3i 1 . 13 . 2469 . 1 1 14 ILE CG1 C 8.800 1.397 2.318 . . . 1.0 . . . . . . . . . . . . A . 14 ILE CG1 . . . . . . . . . c18964_2m3i 1 . 13 . 2470 . 1 1 14 ILE CG2 C 9.067 3.898 2.146 . . . 1.0 . . . . . . . . . . . . A . 14 ILE CG2 . . . . . . . . . c18964_2m3i 1 . 13 . 2471 . 1 1 14 ILE H H 6.117 1.130 2.228 . . . 1.0 . . . . . . . . . . . . A . 14 ILE H . . . . . . . . . c18964_2m3i 1 . 13 . 2472 . 1 1 14 ILE HA H 7.237 3.068 4.005 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HA . . . . . . . . . c18964_2m3i 1 . 13 . 2473 . 1 1 14 ILE HB H 7.700 2.707 1.030 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HB . . . . . . . . . c18964_2m3i 1 . 13 . 2474 . 1 1 14 ILE HD11 H 10.658 1.815 1.362 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HD11 . . . . . . . . . c18964_2m3i 1 . 13 . 2475 . 1 1 14 ILE HD12 H 9.467 1.026 0.329 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HD12 . . . . . . . . . c18964_2m3i 1 . 13 . 2476 . 1 1 14 ILE HD13 H 10.314 0.095 1.564 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HD13 . . . . . . . . . c18964_2m3i 1 . 13 . 2477 . 1 1 14 ILE HG12 H 9.250 1.442 3.298 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HG12 . . . . . . . . . c18964_2m3i 1 . 13 . 2478 . 1 1 14 ILE HG13 H 8.072 0.599 2.303 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HG13 . . . . . . . . . c18964_2m3i 1 . 13 . 2479 . 1 1 14 ILE HG21 H 8.562 4.816 1.889 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HG21 . . . . . . . . . c18964_2m3i 1 . 13 . 2480 . 1 1 14 ILE HG22 H 9.895 3.740 1.471 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HG22 . . . . . . . . . c18964_2m3i 1 . 13 . 2481 . 1 1 14 ILE HG23 H 9.436 3.961 3.158 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HG23 . . . . . . . . . c18964_2m3i 1 . 13 . 2482 . 1 1 14 ILE N N 6.068 1.728 3.000 . . . 1.0 . . . . . . . . . . . . A . 14 ILE N . . . . . . . . . c18964_2m3i 1 . 13 . 2483 . 1 1 14 ILE O O 6.275 5.254 2.853 . . . 1.0 . . . . . . . . . . . . A . 14 ILE O . . . . . . . . . c18964_2m3i 1 . 13 . 2484 . 1 1 15 CYS C C 3.019 5.025 2.151 . . . 1.0 . . . . . . . . . . . . A . 15 CYS C . . . . . . . . . c18964_2m3i 1 . 13 . 2485 . 1 1 15 CYS CA C 4.136 4.660 1.187 . . . 1.0 . . . . . . . . . . . . A . 15 CYS CA . . . . . . . . . c18964_2m3i 1 . 13 . 2486 . 1 1 15 CYS CB C 3.568 4.040 -0.097 . . . 1.0 . . . . . . . . . . . . A . 15 CYS CB . . . . . . . . . c18964_2m3i 1 . 13 . 2487 . 1 1 15 CYS H H 4.897 2.762 1.758 . . . 1.0 . . . . . . . . . . . . A . 15 CYS H . . . . . . . . . c18964_2m3i 1 . 13 . 2488 . 1 1 15 CYS HA H 4.693 5.549 0.932 . . . 1.0 . . . . . . . . . . . . A . 15 CYS HA . . . . . . . . . c18964_2m3i 1 . 13 . 2489 . 1 1 15 CYS HB2 H 4.376 3.666 -0.707 . . . 1.0 . . . . . . . . . . . . A . 15 CYS HB2 . . . . . . . . . c18964_2m3i 1 . 13 . 2490 . 1 1 15 CYS HB3 H 2.933 3.210 0.177 . . . 1.0 . . . . . . . . . . . . A . 15 CYS HB3 . . . . . . . . . c18964_2m3i 1 . 13 . 2491 . 1 1 15 CYS N N 5.033 3.728 1.820 . . . 1.0 . . . . . . . . . . . . A . 15 CYS N . . . . . . . . . c18964_2m3i 1 . 13 . 2492 . 1 1 15 CYS O O 2.042 4.283 2.307 . . . 1.0 . . . . . . . . . . . . A . 15 CYS O . . . . . . . . . c18964_2m3i 1 . 13 . 2493 . 1 1 15 CYS SG S 2.582 5.168 -1.134 . . . 1.0 . . . . . . . . . . . . A . 15 CYS SG . . . . . . . . . c18964_2m3i 1 . 13 . 2494 . 1 1 16 NH2 HN1 H 3.985 6.665 2.660 . . . 1.0 . . . . . . . . . . . . A . 16 NH2 HN1 . . . . . . . . . c18964_2m3i 1 . 13 . 2495 . 1 1 16 NH2 HN2 H 2.506 6.375 3.501 . . . 1.0 . . . . . . . . . . . . A . 16 NH2 HN2 . . . . . . . . . c18964_2m3i 1 . 13 . 2496 . 1 1 16 NH2 N N 3.185 6.128 2.840 . . . 1.0 . . . . . . . . . . . . A . 16 NH2 N . . . . . . . . . c18964_2m3i 1 . 14 . 2497 . 1 1 1 GLY C C -4.800 5.105 -3.084 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c18964_2m3i 1 . 14 . 2498 . 1 1 1 GLY CA C -4.989 6.585 -2.966 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c18964_2m3i 1 . 14 . 2499 . 1 1 1 GLY H1 H -6.882 6.485 -2.184 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c18964_2m3i 1 . 14 . 2500 . 1 1 1 GLY H2 H -6.057 7.909 -1.742 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H2 . . . . . . . . . c18964_2m3i 1 . 14 . 2501 . 1 1 1 GLY H3 H -5.665 6.418 -1.045 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H3 . . . . . . . . . c18964_2m3i 1 . 14 . 2502 . 1 1 1 GLY HA2 H -5.344 6.966 -3.912 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c18964_2m3i 1 . 14 . 2503 . 1 1 1 GLY HA3 H -4.050 7.057 -2.720 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c18964_2m3i 1 . 14 . 2504 . 1 1 1 GLY N N -5.963 6.891 -1.926 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c18964_2m3i 1 . 14 . 2505 . 1 1 1 GLY O O -5.718 4.352 -2.799 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c18964_2m3i 1 . 14 . 2506 . 1 1 2 CYS C C -2.849 2.760 -2.269 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . c18964_2m3i 1 . 14 . 2507 . 1 1 2 CYS CA C -3.349 3.251 -3.602 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . c18964_2m3i 1 . 14 . 2508 . 1 1 2 CYS CB C -2.246 3.010 -4.643 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . c18964_2m3i 1 . 14 . 2509 . 1 1 2 CYS H H -2.913 5.326 -3.673 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . c18964_2m3i 1 . 14 . 2510 . 1 1 2 CYS HA H -4.247 2.725 -3.889 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . c18964_2m3i 1 . 14 . 2511 . 1 1 2 CYS HB2 H -2.276 3.773 -5.404 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . c18964_2m3i 1 . 14 . 2512 . 1 1 2 CYS HB3 H -1.323 3.098 -4.085 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . c18964_2m3i 1 . 14 . 2513 . 1 1 2 CYS N N -3.622 4.676 -3.472 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . c18964_2m3i 1 . 14 . 2514 . 1 1 2 CYS O O -3.341 1.796 -1.728 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . c18964_2m3i 1 . 14 . 2515 . 1 1 2 CYS SG S -2.206 1.355 -5.488 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . c18964_2m3i 1 . 14 . 2516 . 1 1 3 CYS C C -2.069 3.154 0.727 . . . 1.0 . . . . . . . . . . . . A . 3 CYS C . . . . . . . . . c18964_2m3i 1 . 14 . 2517 . 1 1 3 CYS CA C -1.187 3.097 -0.503 . . . 1.0 . . . . . . . . . . . . A . 3 CYS CA . . . . . . . . . c18964_2m3i 1 . 14 . 2518 . 1 1 3 CYS CB C 0.024 3.967 -0.326 . . . 1.0 . . . . . . . . . . . . A . 3 CYS CB . . . . . . . . . c18964_2m3i 1 . 14 . 2519 . 1 1 3 CYS H H -1.618 4.321 -2.147 . . . 1.0 . . . . . . . . . . . . A . 3 CYS H . . . . . . . . . c18964_2m3i 1 . 14 . 2520 . 1 1 3 CYS HA H -0.847 2.082 -0.639 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HA . . . . . . . . . c18964_2m3i 1 . 14 . 2521 . 1 1 3 CYS HB2 H -0.292 4.995 -0.225 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HB2 . . . . . . . . . c18964_2m3i 1 . 14 . 2522 . 1 1 3 CYS HB3 H 0.524 3.661 0.577 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HB3 . . . . . . . . . c18964_2m3i 1 . 14 . 2523 . 1 1 3 CYS N N -1.885 3.477 -1.724 . . . 1.0 . . . . . . . . . . . . A . 3 CYS N . . . . . . . . . c18964_2m3i 1 . 14 . 2524 . 1 1 3 CYS O O -1.692 2.699 1.795 . . . 1.0 . . . . . . . . . . . . A . 3 CYS O . . . . . . . . . c18964_2m3i 1 . 14 . 2525 . 1 1 3 CYS SG S 1.201 3.857 -1.714 . . . 1.0 . . . . . . . . . . . . A . 3 CYS SG . . . . . . . . . c18964_2m3i 1 . 14 . 2526 . 1 1 4 SER C C -5.091 2.486 1.548 . . . 1.0 . . . . . . . . . . . . A . 4 SER C . . . . . . . . . c18964_2m3i 1 . 14 . 2527 . 1 1 4 SER CA C -4.210 3.745 1.617 . . . 1.0 . . . . . . . . . . . . A . 4 SER CA . . . . . . . . . c18964_2m3i 1 . 14 . 2528 . 1 1 4 SER CB C -5.050 5.008 1.445 . . . 1.0 . . . . . . . . . . . . A . 4 SER CB . . . . . . . . . c18964_2m3i 1 . 14 . 2529 . 1 1 4 SER H H -3.397 4.139 -0.295 . . . 1.0 . . . . . . . . . . . . A . 4 SER H . . . . . . . . . c18964_2m3i 1 . 14 . 2530 . 1 1 4 SER HA H -3.705 3.783 2.570 . . . 1.0 . . . . . . . . . . . . A . 4 SER HA . . . . . . . . . c18964_2m3i 1 . 14 . 2531 . 1 1 4 SER HB2 H -5.902 4.970 2.106 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB2 . . . . . . . . . c18964_2m3i 1 . 14 . 2532 . 1 1 4 SER HB3 H -4.443 5.871 1.677 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB3 . . . . . . . . . c18964_2m3i 1 . 14 . 2533 . 1 1 4 SER HG H -6.229 4.481 -0.008 . . . 1.0 . . . . . . . . . . . . A . 4 SER HG . . . . . . . . . c18964_2m3i 1 . 14 . 2534 . 1 1 4 SER N N -3.219 3.710 0.570 . . . 1.0 . . . . . . . . . . . . A . 4 SER N . . . . . . . . . c18964_2m3i 1 . 14 . 2535 . 1 1 4 SER O O -5.971 2.269 2.390 . . . 1.0 . . . . . . . . . . . . A . 4 SER O . . . . . . . . . c18964_2m3i 1 . 14 . 2536 . 1 1 4 SER OG O -5.508 5.121 0.097 . . . 1.0 . . . . . . . . . . . . A . 4 SER OG . . . . . . . . . c18964_2m3i 1 . 14 . 2537 . 1 1 5 HIS C C -4.686 -0.768 0.405 . . . 1.0 . . . . . . . . . . . . A . 5 HIS C . . . . . . . . . c18964_2m3i 1 . 14 . 2538 . 1 1 5 HIS CA C -5.584 0.477 0.294 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CA . . . . . . . . . c18964_2m3i 1 . 14 . 2539 . 1 1 5 HIS CB C -6.227 0.603 -1.109 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CB . . . . . . . . . c18964_2m3i 1 . 14 . 2540 . 1 1 5 HIS CD2 C -6.882 -1.497 -2.444 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CD2 . . . . . . . . . c18964_2m3i 1 . 14 . 2541 . 1 1 5 HIS CE1 C -8.748 -1.970 -1.466 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CE1 . . . . . . . . . c18964_2m3i 1 . 14 . 2542 . 1 1 5 HIS CG C -7.085 -0.551 -1.510 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CG . . . . . . . . . c18964_2m3i 1 . 14 . 2543 . 1 1 5 HIS H H -4.007 1.795 0.020 . . . 1.0 . . . . . . . . . . . . A . 5 HIS H . . . . . . . . . c18964_2m3i 1 . 14 . 2544 . 1 1 5 HIS HA H -6.365 0.431 1.038 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HA . . . . . . . . . c18964_2m3i 1 . 14 . 2545 . 1 1 5 HIS HB2 H -6.843 1.489 -1.136 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB2 . . . . . . . . . c18964_2m3i 1 . 14 . 2546 . 1 1 5 HIS HB3 H -5.440 0.706 -1.842 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB3 . . . . . . . . . c18964_2m3i 1 . 14 . 2547 . 1 1 5 HIS HD1 H -8.718 -0.330 -0.207 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD1 . . . . . . . . . c18964_2m3i 1 . 14 . 2548 . 1 1 5 HIS HD2 H -6.051 -1.524 -3.134 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD2 . . . . . . . . . c18964_2m3i 1 . 14 . 2549 . 1 1 5 HIS HE1 H -9.673 -2.449 -1.182 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HE1 . . . . . . . . . c18964_2m3i 1 . 14 . 2550 . 1 1 5 HIS N N -4.808 1.650 0.572 . . . 1.0 . . . . . . . . . . . . A . 5 HIS N . . . . . . . . . c18964_2m3i 1 . 14 . 2551 . 1 1 5 HIS ND1 N -8.276 -0.862 -0.906 . . . 1.0 . . . . . . . . . . . . A . 5 HIS ND1 . . . . . . . . . c18964_2m3i 1 . 14 . 2552 . 1 1 5 HIS NE2 N -7.935 -2.401 -2.413 . . . 1.0 . . . . . . . . . . . . A . 5 HIS NE2 . . . . . . . . . c18964_2m3i 1 . 14 . 2553 . 1 1 5 HIS O O -3.634 -0.828 -0.249 . . . 1.0 . . . . . . . . . . . . A . 5 HIS O . . . . . . . . . c18964_2m3i 1 . 14 . 2554 . 1 1 6 PRO C C -3.316 -3.493 0.626 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . c18964_2m3i 1 . 14 . 2555 . 1 1 6 PRO CA C -4.412 -3.008 1.590 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . c18964_2m3i 1 . 14 . 2556 . 1 1 6 PRO CB C -5.545 -4.015 1.642 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . c18964_2m3i 1 . 14 . 2557 . 1 1 6 PRO CD C -6.451 -1.770 1.876 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . c18964_2m3i 1 . 14 . 2558 . 1 1 6 PRO CG C -6.727 -3.237 2.130 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . c18964_2m3i 1 . 14 . 2559 . 1 1 6 PRO HA H -3.994 -2.931 2.582 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . c18964_2m3i 1 . 14 . 2560 . 1 1 6 PRO HB2 H -5.710 -4.407 0.650 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB2 . . . . . . . . . c18964_2m3i 1 . 14 . 2561 . 1 1 6 PRO HB3 H -5.300 -4.823 2.314 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . c18964_2m3i 1 . 14 . 2562 . 1 1 6 PRO HD2 H -7.207 -1.374 1.214 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD2 . . . . . . . . . c18964_2m3i 1 . 14 . 2563 . 1 1 6 PRO HD3 H -6.432 -1.215 2.801 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . c18964_2m3i 1 . 14 . 2564 . 1 1 6 PRO HG2 H -7.605 -3.543 1.581 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG2 . . . . . . . . . c18964_2m3i 1 . 14 . 2565 . 1 1 6 PRO HG3 H -6.872 -3.415 3.185 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . c18964_2m3i 1 . 14 . 2566 . 1 1 6 PRO N N -5.133 -1.767 1.222 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . c18964_2m3i 1 . 14 . 2567 . 1 1 6 PRO O O -2.156 -3.631 1.022 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . c18964_2m3i 1 . 14 . 2568 . 1 1 7 VAL C C -1.520 -3.370 -1.857 . . . 1.0 . . . . . . . . . . . . A . 7 VAL C . . . . . . . . . c18964_2m3i 1 . 14 . 2569 . 1 1 7 VAL CA C -2.754 -4.277 -1.608 . . . 1.0 . . . . . . . . . . . . A . 7 VAL CA . . . . . . . . . c18964_2m3i 1 . 14 . 2570 . 1 1 7 VAL CB C -3.476 -4.653 -2.942 . . . 1.0 . . . . . . . . . . . . A . 7 VAL CB . . . . . . . . . c18964_2m3i 1 . 14 . 2571 . 1 1 7 VAL CG1 C -4.132 -3.454 -3.599 . . . 1.0 . . . . . . . . . . . . A . 7 VAL CG1 . . . . . . . . . c18964_2m3i 1 . 14 . 2572 . 1 1 7 VAL CG2 C -2.534 -5.351 -3.902 . . . 1.0 . . . . . . . . . . . . A . 7 VAL CG2 . . . . . . . . . c18964_2m3i 1 . 14 . 2573 . 1 1 7 VAL H H -4.605 -3.539 -0.880 . . . 1.0 . . . . . . . . . . . . A . 7 VAL H . . . . . . . . . c18964_2m3i 1 . 14 . 2574 . 1 1 7 VAL HA H -2.371 -5.188 -1.170 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HA . . . . . . . . . c18964_2m3i 1 . 14 . 2575 . 1 1 7 VAL HB H -4.267 -5.345 -2.691 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HB . . . . . . . . . c18964_2m3i 1 . 14 . 2576 . 1 1 7 VAL HG11 H -3.382 -2.709 -3.821 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG11 . . . . . . . . . c18964_2m3i 1 . 14 . 2577 . 1 1 7 VAL HG12 H -4.855 -3.046 -2.910 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG12 . . . . . . . . . c18964_2m3i 1 . 14 . 2578 . 1 1 7 VAL HG13 H -4.628 -3.760 -4.510 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG13 . . . . . . . . . c18964_2m3i 1 . 14 . 2579 . 1 1 7 VAL HG21 H -1.704 -4.700 -4.130 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG21 . . . . . . . . . c18964_2m3i 1 . 14 . 2580 . 1 1 7 VAL HG22 H -3.067 -5.599 -4.809 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG22 . . . . . . . . . c18964_2m3i 1 . 14 . 2581 . 1 1 7 VAL HG23 H -2.167 -6.255 -3.444 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG23 . . . . . . . . . c18964_2m3i 1 . 14 . 2582 . 1 1 7 VAL N N -3.679 -3.731 -0.622 . . . 1.0 . . . . . . . . . . . . A . 7 VAL N . . . . . . . . . c18964_2m3i 1 . 14 . 2583 . 1 1 7 VAL O O -0.383 -3.856 -1.889 . . . 1.0 . . . . . . . . . . . . A . 7 VAL O . . . . . . . . . c18964_2m3i 1 . 14 . 2584 . 1 1 8 CYS C C 0.092 -0.882 -0.899 . . . 1.0 . . . . . . . . . . . . A . 8 CYS C . . . . . . . . . c18964_2m3i 1 . 14 . 2585 . 1 1 8 CYS CA C -0.610 -1.179 -2.214 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CA . . . . . . . . . c18964_2m3i 1 . 14 . 2586 . 1 1 8 CYS CB C -1.088 0.119 -2.865 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CB . . . . . . . . . c18964_2m3i 1 . 14 . 2587 . 1 1 8 CYS H H -2.620 -1.692 -1.797 . . . 1.0 . . . . . . . . . . . . A . 8 CYS H . . . . . . . . . c18964_2m3i 1 . 14 . 2588 . 1 1 8 CYS HA H 0.075 -1.691 -2.873 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HA . . . . . . . . . c18964_2m3i 1 . 14 . 2589 . 1 1 8 CYS HB2 H -1.468 0.780 -2.101 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB2 . . . . . . . . . c18964_2m3i 1 . 14 . 2590 . 1 1 8 CYS HB3 H -0.274 0.614 -3.374 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB3 . . . . . . . . . c18964_2m3i 1 . 14 . 2591 . 1 1 8 CYS N N -1.723 -2.068 -1.944 . . . 1.0 . . . . . . . . . . . . A . 8 CYS N . . . . . . . . . c18964_2m3i 1 . 14 . 2592 . 1 1 8 CYS O O 1.299 -0.631 -0.865 . . . 1.0 . . . . . . . . . . . . A . 8 CYS O . . . . . . . . . c18964_2m3i 1 . 14 . 2593 . 1 1 8 CYS SG S -2.436 -0.106 -4.077 . . . 1.0 . . . . . . . . . . . . A . 8 CYS SG . . . . . . . . . c18964_2m3i 1 . 14 . 2594 . 1 1 9 SER C C 0.856 -1.839 1.878 . . . 1.0 . . . . . . . . . . . . A . 9 SER C . . . . . . . . . c18964_2m3i 1 . 14 . 2595 . 1 1 9 SER CA C -0.158 -0.740 1.528 . . . 1.0 . . . . . . . . . . . . A . 9 SER CA . . . . . . . . . c18964_2m3i 1 . 14 . 2596 . 1 1 9 SER CB C -1.301 -0.768 2.537 . . . 1.0 . . . . . . . . . . . . A . 9 SER CB . . . . . . . . . c18964_2m3i 1 . 14 . 2597 . 1 1 9 SER H H -1.642 -1.117 0.121 . . . 1.0 . . . . . . . . . . . . A . 9 SER H . . . . . . . . . c18964_2m3i 1 . 14 . 2598 . 1 1 9 SER HA H 0.277 0.246 1.522 . . . 1.0 . . . . . . . . . . . . A . 9 SER HA . . . . . . . . . c18964_2m3i 1 . 14 . 2599 . 1 1 9 SER HB2 H -1.726 -1.761 2.571 . . . 1.0 . . . . . . . . . . . . A . 9 SER HB2 . . . . . . . . . c18964_2m3i 1 . 14 . 2600 . 1 1 9 SER HB3 H -0.921 -0.503 3.513 . . . 1.0 . . . . . . . . . . . . A . 9 SER HB3 . . . . . . . . . c18964_2m3i 1 . 14 . 2601 . 1 1 9 SER HG H -1.962 1.048 2.242 . . . 1.0 . . . . . . . . . . . . A . 9 SER HG . . . . . . . . . c18964_2m3i 1 . 14 . 2602 . 1 1 9 SER N N -0.677 -0.946 0.196 . . . 1.0 . . . . . . . . . . . . A . 9 SER N . . . . . . . . . c18964_2m3i 1 . 14 . 2603 . 1 1 9 SER O O 1.849 -1.593 2.559 . . . 1.0 . . . . . . . . . . . . A . 9 SER O . . . . . . . . . c18964_2m3i 1 . 14 . 2604 . 1 1 9 SER OG O -2.311 0.148 2.175 . . . 1.0 . . . . . . . . . . . . A . 9 SER OG . . . . . . . . . c18964_2m3i 1 . 14 . 2605 . 1 1 10 ALA C C 2.651 -4.099 0.723 . . . 1.0 . . . . . . . . . . . . A . 10 ALA C . . . . . . . . . c18964_2m3i 1 . 14 . 2606 . 1 1 10 ALA CA C 1.457 -4.174 1.643 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CA . . . . . . . . . c18964_2m3i 1 . 14 . 2607 . 1 1 10 ALA CB C 0.715 -5.477 1.424 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CB . . . . . . . . . c18964_2m3i 1 . 14 . 2608 . 1 1 10 ALA H H -0.273 -3.187 0.949 . . . 1.0 . . . . . . . . . . . . A . 10 ALA H . . . . . . . . . c18964_2m3i 1 . 14 . 2609 . 1 1 10 ALA HA H 1.804 -4.144 2.666 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HA . . . . . . . . . c18964_2m3i 1 . 14 . 2610 . 1 1 10 ALA HB1 H 0.416 -5.547 0.388 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB1 . . . . . . . . . c18964_2m3i 1 . 14 . 2611 . 1 1 10 ALA HB2 H -0.168 -5.494 2.046 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB2 . . . . . . . . . c18964_2m3i 1 . 14 . 2612 . 1 1 10 ALA HB3 H 1.354 -6.310 1.674 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB3 . . . . . . . . . c18964_2m3i 1 . 14 . 2613 . 1 1 10 ALA N N 0.578 -3.048 1.422 . . . 1.0 . . . . . . . . . . . . A . 10 ALA N . . . . . . . . . c18964_2m3i 1 . 14 . 2614 . 1 1 10 ALA O O 3.778 -4.383 1.132 . . . 1.0 . . . . . . . . . . . . A . 10 ALA O . . . . . . . . . c18964_2m3i 1 . 14 . 2615 . 1 1 11 MET C C 4.482 -2.559 -1.093 . . . 1.0 . . . . . . . . . . . . A . 11 MET C . . . . . . . . . c18964_2m3i 1 . 14 . 2616 . 1 1 11 MET CA C 3.462 -3.590 -1.517 . . . 1.0 . . . . . . . . . . . . A . 11 MET CA . . . . . . . . . c18964_2m3i 1 . 14 . 2617 . 1 1 11 MET CB C 2.902 -3.282 -2.905 . . . 1.0 . . . . . . . . . . . . A . 11 MET CB . . . . . . . . . c18964_2m3i 1 . 14 . 2618 . 1 1 11 MET CE C 6.095 -4.147 -5.454 . . . 1.0 . . . . . . . . . . . . A . 11 MET CE . . . . . . . . . c18964_2m3i 1 . 14 . 2619 . 1 1 11 MET CG C 3.967 -3.161 -3.987 . . . 1.0 . . . . . . . . . . . . A . 11 MET CG . . . . . . . . . c18964_2m3i 1 . 14 . 2620 . 1 1 11 MET H H 1.475 -3.516 -0.785 . . . 1.0 . . . . . . . . . . . . A . 11 MET H . . . . . . . . . c18964_2m3i 1 . 14 . 2621 . 1 1 11 MET HA H 3.975 -4.532 -1.543 . . . 1.0 . . . . . . . . . . . . A . 11 MET HA . . . . . . . . . c18964_2m3i 1 . 14 . 2622 . 1 1 11 MET HB2 H 2.218 -4.068 -3.188 . . . 1.0 . . . . . . . . . . . . A . 11 MET HB2 . . . . . . . . . c18964_2m3i 1 . 14 . 2623 . 1 1 11 MET HB3 H 2.360 -2.349 -2.857 . . . 1.0 . . . . . . . . . . . . A . 11 MET HB3 . . . . . . . . . c18964_2m3i 1 . 14 . 2624 . 1 1 11 MET HE1 H 6.763 -4.963 -5.688 . . . 1.0 . . . . . . . . . . . . A . 11 MET HE1 . . . . . . . . . c18964_2m3i 1 . 14 . 2625 . 1 1 11 MET HE2 H 6.668 -3.301 -5.106 . . . 1.0 . . . . . . . . . . . . A . 11 MET HE2 . . . . . . . . . c18964_2m3i 1 . 14 . 2626 . 1 1 11 MET HE3 H 5.543 -3.869 -6.339 . . . 1.0 . . . . . . . . . . . . A . 11 MET HE3 . . . . . . . . . c18964_2m3i 1 . 14 . 2627 . 1 1 11 MET HG2 H 3.480 -2.956 -4.928 . . . 1.0 . . . . . . . . . . . . A . 11 MET HG2 . . . . . . . . . c18964_2m3i 1 . 14 . 2628 . 1 1 11 MET HG3 H 4.625 -2.342 -3.735 . . . 1.0 . . . . . . . . . . . . A . 11 MET HG3 . . . . . . . . . c18964_2m3i 1 . 14 . 2629 . 1 1 11 MET N N 2.402 -3.709 -0.526 . . . 1.0 . . . . . . . . . . . . A . 11 MET N . . . . . . . . . c18964_2m3i 1 . 14 . 2630 . 1 1 11 MET O O 5.695 -2.764 -1.199 . . . 1.0 . . . . . . . . . . . . A . 11 MET O . . . . . . . . . c18964_2m3i 1 . 14 . 2631 . 1 1 11 MET SD S 4.949 -4.662 -4.172 . . . 1.0 . . . . . . . . . . . . A . 11 MET SD . . . . . . . . . c18964_2m3i 1 . 14 . 2632 . 1 1 12 SER C C 4.344 -0.004 1.247 . . . 1.0 . . . . . . . . . . . . A . 12 SER C . . . . . . . . . c18964_2m3i 1 . 14 . 2633 . 1 1 12 SER CA C 4.846 -0.470 -0.105 . . . 1.0 . . . . . . . . . . . . A . 12 SER CA . . . . . . . . . c18964_2m3i 1 . 14 . 2634 . 1 1 12 SER CB C 4.912 0.689 -1.067 . . . 1.0 . . . . . . . . . . . . A . 12 SER CB . . . . . . . . . c18964_2m3i 1 . 14 . 2635 . 1 1 12 SER H H 3.030 -1.380 -0.605 . . . 1.0 . . . . . . . . . . . . A . 12 SER H . . . . . . . . . c18964_2m3i 1 . 14 . 2636 . 1 1 12 SER HA H 5.837 -0.885 0.007 . . . 1.0 . . . . . . . . . . . . A . 12 SER HA . . . . . . . . . c18964_2m3i 1 . 14 . 2637 . 1 1 12 SER HB2 H 5.053 0.300 -2.062 . . . 1.0 . . . . . . . . . . . . A . 12 SER HB2 . . . . . . . . . c18964_2m3i 1 . 14 . 2638 . 1 1 12 SER HB3 H 3.966 1.204 -1.006 . . . 1.0 . . . . . . . . . . . . A . 12 SER HB3 . . . . . . . . . c18964_2m3i 1 . 14 . 2639 . 1 1 12 SER HG H 6.729 1.349 -1.202 . . . 1.0 . . . . . . . . . . . . A . 12 SER HG . . . . . . . . . c18964_2m3i 1 . 14 . 2640 . 1 1 12 SER N N 4.004 -1.486 -0.607 . . . 1.0 . . . . . . . . . . . . A . 12 SER N . . . . . . . . . c18964_2m3i 1 . 14 . 2641 . 1 1 12 SER O O 3.453 0.848 1.330 . . . 1.0 . . . . . . . . . . . . A . 12 SER O . . . . . . . . . c18964_2m3i 1 . 14 . 2642 . 1 1 12 SER OG O 5.940 1.597 -0.703 . . . 1.0 . . . . . . . . . . . . A . 12 SER OG . . . . . . . . . c18964_2m3i 1 . 14 . 2643 . 1 1 13 PRO C C 5.126 1.189 4.047 . . . 1.0 . . . . . . . . . . . . A . 13 PRO C . . . . . . . . . c18964_2m3i 1 . 14 . 2644 . 1 1 13 PRO CA C 4.512 -0.155 3.683 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CA . . . . . . . . . c18964_2m3i 1 . 14 . 2645 . 1 1 13 PRO CB C 5.050 -1.275 4.582 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CB . . . . . . . . . c18964_2m3i 1 . 14 . 2646 . 1 1 13 PRO CD C 5.931 -1.614 2.342 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CD . . . . . . . . . c18964_2m3i 1 . 14 . 2647 . 1 1 13 PRO CG C 6.124 -1.961 3.798 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CG . . . . . . . . . c18964_2m3i 1 . 14 . 2648 . 1 1 13 PRO HA H 3.438 -0.084 3.768 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HA . . . . . . . . . c18964_2m3i 1 . 14 . 2649 . 1 1 13 PRO HB2 H 5.441 -0.844 5.492 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HB2 . . . . . . . . . c18964_2m3i 1 . 14 . 2650 . 1 1 13 PRO HB3 H 4.247 -1.956 4.825 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HB3 . . . . . . . . . c18964_2m3i 1 . 14 . 2651 . 1 1 13 PRO HD2 H 6.856 -1.242 1.926 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HD2 . . . . . . . . . c18964_2m3i 1 . 14 . 2652 . 1 1 13 PRO HD3 H 5.595 -2.480 1.790 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HD3 . . . . . . . . . c18964_2m3i 1 . 14 . 2653 . 1 1 13 PRO HG2 H 7.095 -1.625 4.131 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HG2 . . . . . . . . . c18964_2m3i 1 . 14 . 2654 . 1 1 13 PRO HG3 H 6.033 -3.029 3.938 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HG3 . . . . . . . . . c18964_2m3i 1 . 14 . 2655 . 1 1 13 PRO N N 4.901 -0.552 2.339 . . . 1.0 . . . . . . . . . . . . A . 13 PRO N . . . . . . . . . c18964_2m3i 1 . 14 . 2656 . 1 1 13 PRO O O 4.817 1.779 5.077 . . . 1.0 . . . . . . . . . . . . A . 13 PRO O . . . . . . . . . c18964_2m3i 1 . 14 . 2657 . 1 1 14 ILE C C 5.695 4.031 2.882 . . . 1.0 . . . . . . . . . . . . A . 14 ILE C . . . . . . . . . c18964_2m3i 1 . 14 . 2658 . 1 1 14 ILE CA C 6.649 2.942 3.312 . . . 1.0 . . . . . . . . . . . . A . 14 ILE CA . . . . . . . . . c18964_2m3i 1 . 14 . 2659 . 1 1 14 ILE CB C 7.912 2.997 2.421 . . . 1.0 . . . . . . . . . . . . A . 14 ILE CB . . . . . . . . . c18964_2m3i 1 . 14 . 2660 . 1 1 14 ILE CD1 C 9.969 1.658 1.730 . . . 1.0 . . . . . . . . . . . . A . 14 ILE CD1 . . . . . . . . . c18964_2m3i 1 . 14 . 2661 . 1 1 14 ILE CG1 C 8.796 1.771 2.674 . . . 1.0 . . . . . . . . . . . . A . 14 ILE CG1 . . . . . . . . . c18964_2m3i 1 . 14 . 2662 . 1 1 14 ILE CG2 C 8.696 4.286 2.670 . . . 1.0 . . . . . . . . . . . . A . 14 ILE CG2 . . . . . . . . . c18964_2m3i 1 . 14 . 2663 . 1 1 14 ILE H H 6.147 1.134 2.355 . . . 1.0 . . . . . . . . . . . . A . 14 ILE H . . . . . . . . . c18964_2m3i 1 . 14 . 2664 . 1 1 14 ILE HA H 6.918 3.044 4.343 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HA . . . . . . . . . c18964_2m3i 1 . 14 . 2665 . 1 1 14 ILE HB H 7.595 2.990 1.389 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HB . . . . . . . . . c18964_2m3i 1 . 14 . 2666 . 1 1 14 ILE HD11 H 9.611 1.624 0.713 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HD11 . . . . . . . . . c18964_2m3i 1 . 14 . 2667 . 1 1 14 ILE HD12 H 10.507 0.747 1.946 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HD12 . . . . . . . . . c18964_2m3i 1 . 14 . 2668 . 1 1 14 ILE HD13 H 10.622 2.508 1.857 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HD13 . . . . . . . . . c18964_2m3i 1 . 14 . 2669 . 1 1 14 ILE HG12 H 9.188 1.823 3.678 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HG12 . . . . . . . . . c18964_2m3i 1 . 14 . 2670 . 1 1 14 ILE HG13 H 8.197 0.877 2.575 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HG13 . . . . . . . . . c18964_2m3i 1 . 14 . 2671 . 1 1 14 ILE HG21 H 9.567 4.303 2.033 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HG21 . . . . . . . . . c18964_2m3i 1 . 14 . 2672 . 1 1 14 ILE HG22 H 9.005 4.324 3.704 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HG22 . . . . . . . . . c18964_2m3i 1 . 14 . 2673 . 1 1 14 ILE HG23 H 8.069 5.138 2.450 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HG23 . . . . . . . . . c18964_2m3i 1 . 14 . 2674 . 1 1 14 ILE N N 5.978 1.674 3.155 . . . 1.0 . . . . . . . . . . . . A . 14 ILE N . . . . . . . . . c18964_2m3i 1 . 14 . 2675 . 1 1 14 ILE O O 5.678 5.149 3.404 . . . 1.0 . . . . . . . . . . . . A . 14 ILE O . . . . . . . . . c18964_2m3i 1 . 14 . 2676 . 1 1 15 CYS C C 2.610 4.406 2.112 . . . 1.0 . . . . . . . . . . . . A . 15 CYS C . . . . . . . . . c18964_2m3i 1 . 14 . 2677 . 1 1 15 CYS CA C 3.926 4.482 1.337 . . . 1.0 . . . . . . . . . . . . A . 15 CYS CA . . . . . . . . . c18964_2m3i 1 . 14 . 2678 . 1 1 15 CYS CB C 3.760 4.033 -0.123 . . . 1.0 . . . . . . . . . . . . A . 15 CYS CB . . . . . . . . . c18964_2m3i 1 . 14 . 2679 . 1 1 15 CYS H H 4.979 2.699 1.753 . . . 1.0 . . . . . . . . . . . . A . 15 CYS H . . . . . . . . . c18964_2m3i 1 . 14 . 2680 . 1 1 15 CYS HA H 4.290 5.498 1.357 . . . 1.0 . . . . . . . . . . . . A . 15 CYS HA . . . . . . . . . c18964_2m3i 1 . 14 . 2681 . 1 1 15 CYS HB2 H 4.731 3.990 -0.592 . . . 1.0 . . . . . . . . . . . . A . 15 CYS HB2 . . . . . . . . . c18964_2m3i 1 . 14 . 2682 . 1 1 15 CYS HB3 H 3.332 3.041 -0.123 . . . 1.0 . . . . . . . . . . . . A . 15 CYS HB3 . . . . . . . . . c18964_2m3i 1 . 14 . 2683 . 1 1 15 CYS N N 4.895 3.648 1.973 . . . 1.0 . . . . . . . . . . . . A . 15 CYS N . . . . . . . . . c18964_2m3i 1 . 14 . 2684 . 1 1 15 CYS O O 2.089 5.423 2.576 . . . 1.0 . . . . . . . . . . . . A . 15 CYS O . . . . . . . . . c18964_2m3i 1 . 14 . 2685 . 1 1 15 CYS SG S 2.706 5.088 -1.166 . . . 1.0 . . . . . . . . . . . . A . 15 CYS SG . . . . . . . . . c18964_2m3i 1 . 14 . 2686 . 1 1 16 NH2 HN1 H 2.525 2.432 1.858 . . . 1.0 . . . . . . . . . . . . A . 16 NH2 HN1 . . . . . . . . . c18964_2m3i 1 . 14 . 2687 . 1 1 16 NH2 HN2 H 1.227 3.135 2.750 . . . 1.0 . . . . . . . . . . . . A . 16 NH2 HN2 . . . . . . . . . c18964_2m3i 1 . 14 . 2688 . 1 1 16 NH2 N N 2.068 3.209 2.248 . . . 1.0 . . . . . . . . . . . . A . 16 NH2 N . . . . . . . . . c18964_2m3i 1 . 15 . 2689 . 1 1 1 GLY C C -1.299 5.981 -4.213 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c18964_2m3i 1 . 15 . 2690 . 1 1 1 GLY CA C -0.067 6.668 -4.730 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c18964_2m3i 1 . 15 . 2691 . 1 1 1 GLY H1 H -1.082 8.203 -5.607 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c18964_2m3i 1 . 15 . 2692 . 1 1 1 GLY H2 H 0.527 8.596 -5.249 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H2 . . . . . . . . . c18964_2m3i 1 . 15 . 2693 . 1 1 1 GLY H3 H -0.645 8.509 -4.018 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H3 . . . . . . . . . c18964_2m3i 1 . 15 . 2694 . 1 1 1 GLY HA2 H 0.203 6.232 -5.679 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c18964_2m3i 1 . 15 . 2695 . 1 1 1 GLY HA3 H 0.745 6.537 -4.032 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c18964_2m3i 1 . 15 . 2696 . 1 1 1 GLY N N -0.318 8.094 -4.912 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c18964_2m3i 1 . 15 . 2697 . 1 1 1 GLY O O -2.342 6.620 -4.067 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c18964_2m3i 1 . 15 . 2698 . 1 1 2 CYS C C -2.408 4.209 -1.928 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . c18964_2m3i 1 . 15 . 2699 . 1 1 2 CYS CA C -2.293 3.951 -3.423 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . c18964_2m3i 1 . 15 . 2700 . 1 1 2 CYS CB C -2.062 2.483 -3.726 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . c18964_2m3i 1 . 15 . 2701 . 1 1 2 CYS H H -0.386 4.181 -4.115 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . c18964_2m3i 1 . 15 . 2702 . 1 1 2 CYS HA H -3.200 4.271 -3.912 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . c18964_2m3i 1 . 15 . 2703 . 1 1 2 CYS HB2 H -2.788 1.924 -3.170 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . c18964_2m3i 1 . 15 . 2704 . 1 1 2 CYS HB3 H -2.175 2.320 -4.782 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . c18964_2m3i 1 . 15 . 2705 . 1 1 2 CYS N N -1.207 4.694 -3.951 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . c18964_2m3i 1 . 15 . 2706 . 1 1 2 CYS O O -3.379 4.794 -1.460 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . c18964_2m3i 1 . 15 . 2707 . 1 1 2 CYS SG S -0.420 1.841 -3.239 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . c18964_2m3i 1 . 15 . 2708 . 1 1 3 CYS C C -2.266 3.342 1.129 . . . 1.0 . . . . . . . . . . . . A . 3 CYS C . . . . . . . . . c18964_2m3i 1 . 15 . 2709 . 1 1 3 CYS CA C -1.201 3.995 0.219 . . . 1.0 . . . . . . . . . . . . A . 3 CYS CA . . . . . . . . . c18964_2m3i 1 . 15 . 2710 . 1 1 3 CYS CB C -1.053 5.480 0.496 . . . 1.0 . . . . . . . . . . . . A . 3 CYS CB . . . . . . . . . c18964_2m3i 1 . 15 . 2711 . 1 1 3 CYS H H -0.690 3.292 -1.690 . . . 1.0 . . . . . . . . . . . . A . 3 CYS H . . . . . . . . . c18964_2m3i 1 . 15 . 2712 . 1 1 3 CYS HA H -0.259 3.529 0.465 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HA . . . . . . . . . c18964_2m3i 1 . 15 . 2713 . 1 1 3 CYS HB2 H -0.292 5.856 -0.171 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HB2 . . . . . . . . . c18964_2m3i 1 . 15 . 2714 . 1 1 3 CYS HB3 H -1.992 5.958 0.269 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HB3 . . . . . . . . . c18964_2m3i 1 . 15 . 2715 . 1 1 3 CYS N N -1.395 3.780 -1.210 . . . 1.0 . . . . . . . . . . . . A . 3 CYS N . . . . . . . . . c18964_2m3i 1 . 15 . 2716 . 1 1 3 CYS O O -1.942 2.466 1.926 . . . 1.0 . . . . . . . . . . . . A . 3 CYS O . . . . . . . . . c18964_2m3i 1 . 15 . 2717 . 1 1 3 CYS SG S -0.571 5.895 2.193 . . . 1.0 . . . . . . . . . . . . A . 3 CYS SG . . . . . . . . . c18964_2m3i 1 . 15 . 2718 . 1 1 4 SER C C -5.265 2.014 1.295 . . . 1.0 . . . . . . . . . . . . A . 4 SER C . . . . . . . . . c18964_2m3i 1 . 15 . 2719 . 1 1 4 SER CA C -4.554 3.249 1.877 . . . 1.0 . . . . . . . . . . . . A . 4 SER CA . . . . . . . . . c18964_2m3i 1 . 15 . 2720 . 1 1 4 SER CB C -5.550 4.397 2.177 . . . 1.0 . . . . . . . . . . . . A . 4 SER CB . . . . . . . . . c18964_2m3i 1 . 15 . 2721 . 1 1 4 SER H H -3.749 4.331 0.248 . . . 1.0 . . . . . . . . . . . . A . 4 SER H . . . . . . . . . c18964_2m3i 1 . 15 . 2722 . 1 1 4 SER HA H -4.075 2.960 2.800 . . . 1.0 . . . . . . . . . . . . A . 4 SER HA . . . . . . . . . c18964_2m3i 1 . 15 . 2723 . 1 1 4 SER HB2 H -5.003 5.259 2.528 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB2 . . . . . . . . . c18964_2m3i 1 . 15 . 2724 . 1 1 4 SER HB3 H -6.071 4.656 1.268 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB3 . . . . . . . . . c18964_2m3i 1 . 15 . 2725 . 1 1 4 SER HG H -6.278 3.165 3.522 . . . 1.0 . . . . . . . . . . . . A . 4 SER HG . . . . . . . . . c18964_2m3i 1 . 15 . 2726 . 1 1 4 SER N N -3.517 3.721 0.986 . . . 1.0 . . . . . . . . . . . . A . 4 SER N . . . . . . . . . c18964_2m3i 1 . 15 . 2727 . 1 1 4 SER O O -6.204 1.490 1.885 . . . 1.0 . . . . . . . . . . . . A . 4 SER O . . . . . . . . . c18964_2m3i 1 . 15 . 2728 . 1 1 4 SER OG O -6.515 4.038 3.175 . . . 1.0 . . . . . . . . . . . . A . 4 SER OG . . . . . . . . . c18964_2m3i 1 . 15 . 2729 . 1 1 5 HIS C C -4.673 -0.866 0.099 . . . 1.0 . . . . . . . . . . . . A . 5 HIS C . . . . . . . . . c18964_2m3i 1 . 15 . 2730 . 1 1 5 HIS CA C -5.394 0.366 -0.454 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CA . . . . . . . . . c18964_2m3i 1 . 15 . 2731 . 1 1 5 HIS CB C -5.281 0.453 -1.992 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CB . . . . . . . . . c18964_2m3i 1 . 15 . 2732 . 1 1 5 HIS CD2 C -5.703 -1.710 -3.379 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CD2 . . . . . . . . . c18964_2m3i 1 . 15 . 2733 . 1 1 5 HIS CE1 C -7.854 -1.534 -3.655 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CE1 . . . . . . . . . c18964_2m3i 1 . 15 . 2734 . 1 1 5 HIS CG C -6.091 -0.574 -2.747 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CG . . . . . . . . . c18964_2m3i 1 . 15 . 2735 . 1 1 5 HIS H H -4.007 1.959 -0.237 . . . 1.0 . . . . . . . . . . . . A . 5 HIS H . . . . . . . . . c18964_2m3i 1 . 15 . 2736 . 1 1 5 HIS HA H -6.433 0.334 -0.156 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HA . . . . . . . . . c18964_2m3i 1 . 15 . 2737 . 1 1 5 HIS HB2 H -5.612 1.429 -2.312 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB2 . . . . . . . . . c18964_2m3i 1 . 15 . 2738 . 1 1 5 HIS HB3 H -4.245 0.328 -2.267 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB3 . . . . . . . . . c18964_2m3i 1 . 15 . 2739 . 1 1 5 HIS HD1 H -8.052 0.228 -2.606 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD1 . . . . . . . . . c18964_2m3i 1 . 15 . 2740 . 1 1 5 HIS HD2 H -4.694 -2.089 -3.441 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD2 . . . . . . . . . c18964_2m3i 1 . 15 . 2741 . 1 1 5 HIS HE1 H -8.878 -1.712 -3.954 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HE1 . . . . . . . . . c18964_2m3i 1 . 15 . 2742 . 1 1 5 HIS N N -4.794 1.534 0.163 . . . 1.0 . . . . . . . . . . . . A . 5 HIS N . . . . . . . . . c18964_2m3i 1 . 15 . 2743 . 1 1 5 HIS ND1 N -7.456 -0.484 -2.936 . . . 1.0 . . . . . . . . . . . . A . 5 HIS ND1 . . . . . . . . . c18964_2m3i 1 . 15 . 2744 . 1 1 5 HIS NE2 N -6.823 -2.319 -3.955 . . . 1.0 . . . . . . . . . . . . A . 5 HIS NE2 . . . . . . . . . c18964_2m3i 1 . 15 . 2745 . 1 1 5 HIS O O -3.501 -1.041 -0.184 . . . 1.0 . . . . . . . . . . . . A . 5 HIS O . . . . . . . . . c18964_2m3i 1 . 15 . 2746 . 1 1 6 PRO C C -3.634 -3.596 1.025 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . c18964_2m3i 1 . 15 . 2747 . 1 1 6 PRO CA C -4.824 -2.858 1.664 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . c18964_2m3i 1 . 15 . 2748 . 1 1 6 PRO CB C -6.019 -3.782 1.812 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . c18964_2m3i 1 . 15 . 2749 . 1 1 6 PRO CD C -6.853 -1.641 1.085 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . c18964_2m3i 1 . 15 . 2750 . 1 1 6 PRO CG C -7.175 -2.851 1.937 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . c18964_2m3i 1 . 15 . 2751 . 1 1 6 PRO HA H -4.523 -2.530 2.648 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . c18964_2m3i 1 . 15 . 2752 . 1 1 6 PRO HB2 H -6.101 -4.413 0.941 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB2 . . . . . . . . . c18964_2m3i 1 . 15 . 2753 . 1 1 6 PRO HB3 H -5.908 -4.390 2.698 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . c18964_2m3i 1 . 15 . 2754 . 1 1 6 PRO HD2 H -7.365 -1.696 0.135 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD2 . . . . . . . . . c18964_2m3i 1 . 15 . 2755 . 1 1 6 PRO HD3 H -7.122 -0.734 1.606 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . c18964_2m3i 1 . 15 . 2756 . 1 1 6 PRO HG2 H -8.074 -3.332 1.584 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG2 . . . . . . . . . c18964_2m3i 1 . 15 . 2757 . 1 1 6 PRO HG3 H -7.298 -2.560 2.968 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . c18964_2m3i 1 . 15 . 2758 . 1 1 6 PRO N N -5.387 -1.715 0.890 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . c18964_2m3i 1 . 15 . 2759 . 1 1 6 PRO O O -2.511 -3.530 1.544 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . c18964_2m3i 1 . 15 . 2760 . 1 1 7 VAL C C -1.646 -4.128 -1.206 . . . 1.0 . . . . . . . . . . . . A . 7 VAL C . . . . . . . . . c18964_2m3i 1 . 15 . 2761 . 1 1 7 VAL CA C -2.814 -5.022 -0.770 . . . 1.0 . . . . . . . . . . . . A . 7 VAL CA . . . . . . . . . c18964_2m3i 1 . 15 . 2762 . 1 1 7 VAL CB C -3.373 -5.825 -1.978 . . . 1.0 . . . . . . . . . . . . A . 7 VAL CB . . . . . . . . . c18964_2m3i 1 . 15 . 2763 . 1 1 7 VAL CG1 C -2.267 -6.554 -2.733 . . . 1.0 . . . . . . . . . . . . A . 7 VAL CG1 . . . . . . . . . c18964_2m3i 1 . 15 . 2764 . 1 1 7 VAL CG2 C -4.401 -6.825 -1.499 . . . 1.0 . . . . . . . . . . . . A . 7 VAL CG2 . . . . . . . . . c18964_2m3i 1 . 15 . 2765 . 1 1 7 VAL H H -4.764 -4.221 -0.497 . . . 1.0 . . . . . . . . . . . . A . 7 VAL H . . . . . . . . . c18964_2m3i 1 . 15 . 2766 . 1 1 7 VAL HA H -2.434 -5.722 -0.040 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HA . . . . . . . . . c18964_2m3i 1 . 15 . 2767 . 1 1 7 VAL HB H -3.865 -5.137 -2.649 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HB . . . . . . . . . c18964_2m3i 1 . 15 . 2768 . 1 1 7 VAL HG11 H -2.689 -7.066 -3.584 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG11 . . . . . . . . . c18964_2m3i 1 . 15 . 2769 . 1 1 7 VAL HG12 H -1.808 -7.279 -2.078 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG12 . . . . . . . . . c18964_2m3i 1 . 15 . 2770 . 1 1 7 VAL HG13 H -1.525 -5.844 -3.066 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG13 . . . . . . . . . c18964_2m3i 1 . 15 . 2771 . 1 1 7 VAL HG21 H -3.940 -7.512 -0.808 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG21 . . . . . . . . . c18964_2m3i 1 . 15 . 2772 . 1 1 7 VAL HG22 H -4.789 -7.375 -2.343 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG22 . . . . . . . . . c18964_2m3i 1 . 15 . 2773 . 1 1 7 VAL HG23 H -5.206 -6.305 -1.001 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG23 . . . . . . . . . c18964_2m3i 1 . 15 . 2774 . 1 1 7 VAL N N -3.864 -4.249 -0.103 . . . 1.0 . . . . . . . . . . . . A . 7 VAL N . . . . . . . . . c18964_2m3i 1 . 15 . 2775 . 1 1 7 VAL O O -0.476 -4.472 -1.010 . . . 1.0 . . . . . . . . . . . . A . 7 VAL O . . . . . . . . . c18964_2m3i 1 . 15 . 2776 . 1 1 8 CYS C C -0.201 -1.392 -1.019 . . . 1.0 . . . . . . . . . . . . A . 8 CYS C . . . . . . . . . c18964_2m3i 1 . 15 . 2777 . 1 1 8 CYS CA C -0.948 -2.042 -2.196 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CA . . . . . . . . . c18964_2m3i 1 . 15 . 2778 . 1 1 8 CYS CB C -1.562 -0.976 -3.112 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CB . . . . . . . . . c18964_2m3i 1 . 15 . 2779 . 1 1 8 CYS H H -2.907 -2.707 -1.764 . . . 1.0 . . . . . . . . . . . . A . 8 CYS H . . . . . . . . . c18964_2m3i 1 . 15 . 2780 . 1 1 8 CYS HA H -0.239 -2.628 -2.762 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HA . . . . . . . . . c18964_2m3i 1 . 15 . 2781 . 1 1 8 CYS HB2 H -2.227 -1.446 -3.820 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB2 . . . . . . . . . c18964_2m3i 1 . 15 . 2782 . 1 1 8 CYS HB3 H -2.126 -0.288 -2.500 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB3 . . . . . . . . . c18964_2m3i 1 . 15 . 2783 . 1 1 8 CYS N N -1.962 -2.959 -1.712 . . . 1.0 . . . . . . . . . . . . A . 8 CYS N . . . . . . . . . c18964_2m3i 1 . 15 . 2784 . 1 1 8 CYS O O 0.939 -0.993 -1.146 . . . 1.0 . . . . . . . . . . . . A . 8 CYS O . . . . . . . . . c18964_2m3i 1 . 15 . 2785 . 1 1 8 CYS SG S -0.339 -0.002 -4.056 . . . 1.0 . . . . . . . . . . . . A . 8 CYS SG . . . . . . . . . c18964_2m3i 1 . 15 . 2786 . 1 1 9 SER C C 0.841 -1.790 1.860 . . . 1.0 . . . . . . . . . . . . A . 9 SER C . . . . . . . . . c18964_2m3i 1 . 15 . 2787 . 1 1 9 SER CA C -0.244 -0.806 1.338 . . . 1.0 . . . . . . . . . . . . A . 9 SER CA . . . . . . . . . c18964_2m3i 1 . 15 . 2788 . 1 1 9 SER CB C -1.340 -0.576 2.396 . . . 1.0 . . . . . . . . . . . . A . 9 SER CB . . . . . . . . . c18964_2m3i 1 . 15 . 2789 . 1 1 9 SER H H -1.764 -1.665 0.199 . . . 1.0 . . . . . . . . . . . . A . 9 SER H . . . . . . . . . c18964_2m3i 1 . 15 . 2790 . 1 1 9 SER HA H 0.185 0.143 1.051 . . . 1.0 . . . . . . . . . . . . A . 9 SER HA . . . . . . . . . c18964_2m3i 1 . 15 . 2791 . 1 1 9 SER HB2 H -2.232 -0.206 1.910 . . . 1.0 . . . . . . . . . . . . A . 9 SER HB2 . . . . . . . . . c18964_2m3i 1 . 15 . 2792 . 1 1 9 SER HB3 H -1.567 -1.513 2.882 . . . 1.0 . . . . . . . . . . . . A . 9 SER HB3 . . . . . . . . . c18964_2m3i 1 . 15 . 2793 . 1 1 9 SER HG H -1.250 1.226 3.056 . . . 1.0 . . . . . . . . . . . . A . 9 SER HG . . . . . . . . . c18964_2m3i 1 . 15 . 2794 . 1 1 9 SER N N -0.837 -1.353 0.141 . . . 1.0 . . . . . . . . . . . . A . 9 SER N . . . . . . . . . c18964_2m3i 1 . 15 . 2795 . 1 1 9 SER O O 1.689 -1.445 2.680 . . . 1.0 . . . . . . . . . . . . A . 9 SER O . . . . . . . . . c18964_2m3i 1 . 15 . 2796 . 1 1 9 SER OG O -0.942 0.366 3.380 . . . 1.0 . . . . . . . . . . . . A . 9 SER OG . . . . . . . . . c18964_2m3i 1 . 15 . 2797 . 1 1 10 ALA C C 2.837 -3.995 0.561 . . . 1.0 . . . . . . . . . . . . A . 10 ALA C . . . . . . . . . c18964_2m3i 1 . 15 . 2798 . 1 1 10 ALA CA C 1.809 -4.009 1.681 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CA . . . . . . . . . c18964_2m3i 1 . 15 . 2799 . 1 1 10 ALA CB C 1.197 -5.389 1.845 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CB . . . . . . . . . c18964_2m3i 1 . 15 . 2800 . 1 1 10 ALA H H 0.020 -3.288 0.825 . . . 1.0 . . . . . . . . . . . . A . 10 ALA H . . . . . . . . . c18964_2m3i 1 . 15 . 2801 . 1 1 10 ALA HA H 2.315 -3.724 2.593 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HA . . . . . . . . . c18964_2m3i 1 . 15 . 2802 . 1 1 10 ALA HB1 H 0.671 -5.647 0.939 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB1 . . . . . . . . . c18964_2m3i 1 . 15 . 2803 . 1 1 10 ALA HB2 H 0.511 -5.389 2.677 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB2 . . . . . . . . . c18964_2m3i 1 . 15 . 2804 . 1 1 10 ALA HB3 H 1.981 -6.111 2.021 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB3 . . . . . . . . . c18964_2m3i 1 . 15 . 2805 . 1 1 10 ALA N N 0.784 -3.027 1.381 . . . 1.0 . . . . . . . . . . . . A . 10 ALA N . . . . . . . . . c18964_2m3i 1 . 15 . 2806 . 1 1 10 ALA O O 3.991 -4.396 0.744 . . . 1.0 . . . . . . . . . . . . A . 10 ALA O . . . . . . . . . c18964_2m3i 1 . 15 . 2807 . 1 1 11 MET C C 4.219 -2.182 -1.507 . . . 1.0 . . . . . . . . . . . . A . 11 MET C . . . . . . . . . c18964_2m3i 1 . 15 . 2808 . 1 1 11 MET CA C 3.301 -3.350 -1.751 . . . 1.0 . . . . . . . . . . . . A . 11 MET CA . . . . . . . . . c18964_2m3i 1 . 15 . 2809 . 1 1 11 MET CB C 2.524 -3.158 -3.057 . . . 1.0 . . . . . . . . . . . . A . 11 MET CB . . . . . . . . . c18964_2m3i 1 . 15 . 2810 . 1 1 11 MET CE C 1.330 -6.975 -4.174 . . . 1.0 . . . . . . . . . . . . A . 11 MET CE . . . . . . . . . c18964_2m3i 1 . 15 . 2811 . 1 1 11 MET CG C 1.666 -4.341 -3.459 . . . 1.0 . . . . . . . . . . . . A . 11 MET CG . . . . . . . . . c18964_2m3i 1 . 15 . 2812 . 1 1 11 MET H H 1.469 -3.261 -0.678 . . . 1.0 . . . . . . . . . . . . A . 11 MET H . . . . . . . . . c18964_2m3i 1 . 15 . 2813 . 1 1 11 MET HA H 3.907 -4.235 -1.811 . . . 1.0 . . . . . . . . . . . . A . 11 MET HA . . . . . . . . . c18964_2m3i 1 . 15 . 2814 . 1 1 11 MET HB2 H 1.879 -2.298 -2.945 . . . 1.0 . . . . . . . . . . . . A . 11 MET HB2 . . . . . . . . . c18964_2m3i 1 . 15 . 2815 . 1 1 11 MET HB3 H 3.221 -2.956 -3.854 . . . 1.0 . . . . . . . . . . . . A . 11 MET HB3 . . . . . . . . . c18964_2m3i 1 . 15 . 2816 . 1 1 11 MET HE1 H 0.569 -7.046 -3.411 . . . 1.0 . . . . . . . . . . . . A . 11 MET HE1 . . . . . . . . . c18964_2m3i 1 . 15 . 2817 . 1 1 11 MET HE2 H 1.756 -7.950 -4.356 . . . 1.0 . . . . . . . . . . . . A . 11 MET HE2 . . . . . . . . . c18964_2m3i 1 . 15 . 2818 . 1 1 11 MET HE3 H 0.890 -6.603 -5.086 . . . 1.0 . . . . . . . . . . . . A . 11 MET HE3 . . . . . . . . . c18964_2m3i 1 . 15 . 2819 . 1 1 11 MET HG2 H 0.915 -4.500 -2.699 . . . 1.0 . . . . . . . . . . . . A . 11 MET HG2 . . . . . . . . . c18964_2m3i 1 . 15 . 2820 . 1 1 11 MET HG3 H 1.186 -4.121 -4.400 . . . 1.0 . . . . . . . . . . . . A . 11 MET HG3 . . . . . . . . . c18964_2m3i 1 . 15 . 2821 . 1 1 11 MET N N 2.413 -3.511 -0.602 . . . 1.0 . . . . . . . . . . . . A . 11 MET N . . . . . . . . . c18964_2m3i 1 . 15 . 2822 . 1 1 11 MET O O 5.368 -2.154 -1.953 . . . 1.0 . . . . . . . . . . . . A . 11 MET O . . . . . . . . . c18964_2m3i 1 . 15 . 2823 . 1 1 11 MET SD S 2.617 -5.856 -3.638 . . . 1.0 . . . . . . . . . . . . A . 11 MET SD . . . . . . . . . c18964_2m3i 1 . 15 . 2824 . 1 1 12 SER C C 4.122 0.128 1.093 . . . 1.0 . . . . . . . . . . . . A . 12 SER C . . . . . . . . . c18964_2m3i 1 . 15 . 2825 . 1 1 12 SER CA C 4.421 -0.105 -0.378 . . . 1.0 . . . . . . . . . . . . A . 12 SER CA . . . . . . . . . c18964_2m3i 1 . 15 . 2826 . 1 1 12 SER CB C 4.061 1.129 -1.169 . . . 1.0 . . . . . . . . . . . . A . 12 SER CB . . . . . . . . . c18964_2m3i 1 . 15 . 2827 . 1 1 12 SER H H 2.729 -1.277 -0.662 . . . 1.0 . . . . . . . . . . . . A . 12 SER H . . . . . . . . . c18964_2m3i 1 . 15 . 2828 . 1 1 12 SER HA H 5.473 -0.312 -0.505 . . . 1.0 . . . . . . . . . . . . A . 12 SER HA . . . . . . . . . c18964_2m3i 1 . 15 . 2829 . 1 1 12 SER HB2 H 4.107 0.886 -2.218 . . . 1.0 . . . . . . . . . . . . A . 12 SER HB2 . . . . . . . . . c18964_2m3i 1 . 15 . 2830 . 1 1 12 SER HB3 H 3.050 1.405 -0.910 . . . 1.0 . . . . . . . . . . . . A . 12 SER HB3 . . . . . . . . . c18964_2m3i 1 . 15 . 2831 . 1 1 12 SER HG H 5.279 2.572 -1.663 . . . 1.0 . . . . . . . . . . . . A . 12 SER HG . . . . . . . . . c18964_2m3i 1 . 15 . 2832 . 1 1 12 SER N N 3.692 -1.227 -0.828 . . . 1.0 . . . . . . . . . . . . A . 12 SER N . . . . . . . . . c18964_2m3i 1 . 15 . 2833 . 1 1 12 SER O O 3.153 0.808 1.444 . . . 1.0 . . . . . . . . . . . . A . 12 SER O . . . . . . . . . c18964_2m3i 1 . 15 . 2834 . 1 1 12 SER OG O 4.926 2.213 -0.840 . . . 1.0 . . . . . . . . . . . . A . 12 SER OG . . . . . . . . . c18964_2m3i 1 . 15 . 2835 . 1 1 13 PRO C C 5.359 1.120 3.839 . . . 1.0 . . . . . . . . . . . . A . 13 PRO C . . . . . . . . . c18964_2m3i 1 . 15 . 2836 . 1 1 13 PRO CA C 4.790 -0.242 3.434 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CA . . . . . . . . . c18964_2m3i 1 . 15 . 2837 . 1 1 13 PRO CB C 5.611 -1.376 4.038 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CB . . . . . . . . . c18964_2m3i 1 . 15 . 2838 . 1 1 13 PRO CD C 6.061 -1.354 1.669 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CD . . . . . . . . . c18964_2m3i 1 . 15 . 2839 . 1 1 13 PRO CG C 6.631 -1.722 3.009 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CG . . . . . . . . . c18964_2m3i 1 . 15 . 2840 . 1 1 13 PRO HA H 3.755 -0.310 3.738 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HA . . . . . . . . . c18964_2m3i 1 . 15 . 2841 . 1 1 13 PRO HB2 H 6.076 -1.036 4.952 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HB2 . . . . . . . . . c18964_2m3i 1 . 15 . 2842 . 1 1 13 PRO HB3 H 4.969 -2.217 4.250 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HB3 . . . . . . . . . c18964_2m3i 1 . 15 . 2843 . 1 1 13 PRO HD2 H 6.808 -0.846 1.075 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HD2 . . . . . . . . . c18964_2m3i 1 . 15 . 2844 . 1 1 13 PRO HD3 H 5.707 -2.234 1.153 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HD3 . . . . . . . . . c18964_2m3i 1 . 15 . 2845 . 1 1 13 PRO HG2 H 7.539 -1.168 3.186 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HG2 . . . . . . . . . c18964_2m3i 1 . 15 . 2846 . 1 1 13 PRO HG3 H 6.813 -2.785 3.049 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HG3 . . . . . . . . . c18964_2m3i 1 . 15 . 2847 . 1 1 13 PRO N N 4.940 -0.446 1.989 . . . 1.0 . . . . . . . . . . . . A . 13 PRO N . . . . . . . . . c18964_2m3i 1 . 15 . 2848 . 1 1 13 PRO O O 5.422 1.483 5.017 . . . 1.0 . . . . . . . . . . . . A . 13 PRO O . . . . . . . . . c18964_2m3i 1 . 15 . 2849 . 1 1 14 ILE C C 5.204 4.140 3.277 . . . 1.0 . . . . . . . . . . . . A . 14 ILE C . . . . . . . . . c18964_2m3i 1 . 15 . 2850 . 1 1 14 ILE CA C 6.316 3.180 2.938 . . . 1.0 . . . . . . . . . . . . A . 14 ILE CA . . . . . . . . . c18964_2m3i 1 . 15 . 2851 . 1 1 14 ILE CB C 7.004 3.596 1.609 . . . 1.0 . . . . . . . . . . . . A . 14 ILE CB . . . . . . . . . c18964_2m3i 1 . 15 . 2852 . 1 1 14 ILE CD1 C 8.660 2.755 -0.152 . . . 1.0 . . . . . . . . . . . . A . 14 ILE CD1 . . . . . . . . . c18964_2m3i 1 . 15 . 2853 . 1 1 14 ILE CG1 C 8.036 2.532 1.204 . . . 1.0 . . . . . . . . . . . . A . 14 ILE CG1 . . . . . . . . . c18964_2m3i 1 . 15 . 2854 . 1 1 14 ILE CG2 C 7.668 4.972 1.730 . . . 1.0 . . . . . . . . . . . . A . 14 ILE CG2 . . . . . . . . . c18964_2m3i 1 . 15 . 2855 . 1 1 14 ILE H H 5.713 1.450 1.934 . . . 1.0 . . . . . . . . . . . . A . 14 ILE H . . . . . . . . . c18964_2m3i 1 . 15 . 2856 . 1 1 14 ILE HA H 7.033 3.176 3.732 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HA . . . . . . . . . c18964_2m3i 1 . 15 . 2857 . 1 1 14 ILE HB H 6.248 3.651 0.839 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HB . . . . . . . . . c18964_2m3i 1 . 15 . 2858 . 1 1 14 ILE HD11 H 9.382 1.978 -0.352 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HD11 . . . . . . . . . c18964_2m3i 1 . 15 . 2859 . 1 1 14 ILE HD12 H 9.145 3.718 -0.159 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HD12 . . . . . . . . . c18964_2m3i 1 . 15 . 2860 . 1 1 14 ILE HD13 H 7.889 2.735 -0.908 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HD13 . . . . . . . . . c18964_2m3i 1 . 15 . 2861 . 1 1 14 ILE HG12 H 8.835 2.524 1.930 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HG12 . . . . . . . . . c18964_2m3i 1 . 15 . 2862 . 1 1 14 ILE HG13 H 7.556 1.564 1.198 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HG13 . . . . . . . . . c18964_2m3i 1 . 15 . 2863 . 1 1 14 ILE HG21 H 6.922 5.711 1.983 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HG21 . . . . . . . . . c18964_2m3i 1 . 15 . 2864 . 1 1 14 ILE HG22 H 8.127 5.233 0.789 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HG22 . . . . . . . . . c18964_2m3i 1 . 15 . 2865 . 1 1 14 ILE HG23 H 8.423 4.943 2.502 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HG23 . . . . . . . . . c18964_2m3i 1 . 15 . 2866 . 1 1 14 ILE N N 5.772 1.855 2.822 . . . 1.0 . . . . . . . . . . . . A . 14 ILE N . . . . . . . . . c18964_2m3i 1 . 15 . 2867 . 1 1 14 ILE O O 5.399 5.150 3.950 . . . 1.0 . . . . . . . . . . . . A . 14 ILE O . . . . . . . . . c18964_2m3i 1 . 15 . 2868 . 1 1 15 CYS C C 1.807 3.667 3.715 . . . 1.0 . . . . . . . . . . . . A . 15 CYS C . . . . . . . . . c18964_2m3i 1 . 15 . 2869 . 1 1 15 CYS CA C 2.870 4.554 3.066 . . . 1.0 . . . . . . . . . . . . A . 15 CYS CA . . . . . . . . . c18964_2m3i 1 . 15 . 2870 . 1 1 15 CYS CB C 2.364 5.144 1.751 . . . 1.0 . . . . . . . . . . . . A . 15 CYS CB . . . . . . . . . c18964_2m3i 1 . 15 . 2871 . 1 1 15 CYS H H 4.050 2.927 2.364 . . . 1.0 . . . . . . . . . . . . A . 15 CYS H . . . . . . . . . c18964_2m3i 1 . 15 . 2872 . 1 1 15 CYS HA H 3.120 5.354 3.747 . . . 1.0 . . . . . . . . . . . . A . 15 CYS HA . . . . . . . . . c18964_2m3i 1 . 15 . 2873 . 1 1 15 CYS HB2 H 3.209 5.411 1.133 . . . 1.0 . . . . . . . . . . . . A . 15 CYS HB2 . . . . . . . . . c18964_2m3i 1 . 15 . 2874 . 1 1 15 CYS HB3 H 1.783 4.380 1.253 . . . 1.0 . . . . . . . . . . . . A . 15 CYS HB3 . . . . . . . . . c18964_2m3i 1 . 15 . 2875 . 1 1 15 CYS N N 4.055 3.779 2.846 . . . 1.0 . . . . . . . . . . . . A . 15 CYS N . . . . . . . . . c18964_2m3i 1 . 15 . 2876 . 1 1 15 CYS O O 1.297 3.971 4.794 . . . 1.0 . . . . . . . . . . . . A . 15 CYS O . . . . . . . . . c18964_2m3i 1 . 15 . 2877 . 1 1 15 CYS SG S 1.301 6.623 1.958 . . . 1.0 . . . . . . . . . . . . A . 15 CYS SG . . . . . . . . . c18964_2m3i 1 . 15 . 2878 . 1 1 16 NH2 HN1 H 1.899 2.370 2.200 . . . 1.0 . . . . . . . . . . . . A . 16 NH2 HN1 . . . . . . . . . c18964_2m3i 1 . 15 . 2879 . 1 1 16 NH2 HN2 H 0.790 1.986 3.460 . . . 1.0 . . . . . . . . . . . . A . 16 NH2 HN2 . . . . . . . . . c18964_2m3i 1 . 15 . 2880 . 1 1 16 NH2 N N 1.465 2.572 3.057 . . . 1.0 . . . . . . . . . . . . A . 16 NH2 N . . . . . . . . . c18964_2m3i 1 . 16 . 2881 . 1 1 1 GLY C C -4.848 4.942 -2.807 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c18964_2m3i 1 . 16 . 2882 . 1 1 1 GLY CA C -4.979 6.422 -3.056 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c18964_2m3i 1 . 16 . 2883 . 1 1 1 GLY H1 H -6.861 6.617 -2.247 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c18964_2m3i 1 . 16 . 2884 . 1 1 1 GLY H2 H -6.865 6.292 -3.897 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H2 . . . . . . . . . c18964_2m3i 1 . 16 . 2885 . 1 1 1 GLY H3 H -6.458 7.845 -3.334 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H3 . . . . . . . . . c18964_2m3i 1 . 16 . 2886 . 1 1 1 GLY HA2 H -4.474 6.670 -3.976 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c18964_2m3i 1 . 16 . 2887 . 1 1 1 GLY HA3 H -4.517 6.963 -2.245 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c18964_2m3i 1 . 16 . 2888 . 1 1 1 GLY N N -6.384 6.827 -3.148 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c18964_2m3i 1 . 16 . 2889 . 1 1 1 GLY O O -5.635 4.358 -2.051 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c18964_2m3i 1 . 16 . 2890 . 1 1 2 CYS C C -2.871 2.538 -2.107 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . c18964_2m3i 1 . 16 . 2891 . 1 1 2 CYS CA C -3.662 2.891 -3.334 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . c18964_2m3i 1 . 16 . 2892 . 1 1 2 CYS CB C -2.883 2.416 -4.519 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . c18964_2m3i 1 . 16 . 2893 . 1 1 2 CYS H H -3.206 4.857 -3.937 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . c18964_2m3i 1 . 16 . 2894 . 1 1 2 CYS HA H -4.622 2.398 -3.324 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . c18964_2m3i 1 . 16 . 2895 . 1 1 2 CYS HB2 H -3.141 3.016 -5.372 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . c18964_2m3i 1 . 16 . 2896 . 1 1 2 CYS HB3 H -1.862 2.636 -4.244 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . c18964_2m3i 1 . 16 . 2897 . 1 1 2 CYS N N -3.852 4.330 -3.414 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . c18964_2m3i 1 . 16 . 2898 . 1 1 2 CYS O O -3.055 1.491 -1.527 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . c18964_2m3i 1 . 16 . 2899 . 1 1 2 CYS SG S -3.005 0.613 -4.840 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . c18964_2m3i 1 . 16 . 2900 . 1 1 3 CYS C C -1.950 3.208 0.746 . . . 1.0 . . . . . . . . . . . . A . 3 CYS C . . . . . . . . . c18964_2m3i 1 . 16 . 2901 . 1 1 3 CYS CA C -1.125 3.215 -0.550 . . . 1.0 . . . . . . . . . . . . A . 3 CYS CA . . . . . . . . . c18964_2m3i 1 . 16 . 2902 . 1 1 3 CYS CB C -0.054 4.290 -0.489 . . . 1.0 . . . . . . . . . . . . A . 3 CYS CB . . . . . . . . . c18964_2m3i 1 . 16 . 2903 . 1 1 3 CYS H H -1.829 4.209 -2.283 . . . 1.0 . . . . . . . . . . . . A . 3 CYS H . . . . . . . . . c18964_2m3i 1 . 16 . 2904 . 1 1 3 CYS HA H -0.646 2.255 -0.667 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HA . . . . . . . . . c18964_2m3i 1 . 16 . 2905 . 1 1 3 CYS HB2 H -0.517 5.265 -0.462 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HB2 . . . . . . . . . c18964_2m3i 1 . 16 . 2906 . 1 1 3 CYS HB3 H 0.509 4.148 0.419 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HB3 . . . . . . . . . c18964_2m3i 1 . 16 . 2907 . 1 1 3 CYS N N -1.967 3.409 -1.730 . . . 1.0 . . . . . . . . . . . . A . 3 CYS N . . . . . . . . . c18964_2m3i 1 . 16 . 2908 . 1 1 3 CYS O O -1.484 2.782 1.800 . . . 1.0 . . . . . . . . . . . . A . 3 CYS O . . . . . . . . . c18964_2m3i 1 . 16 . 2909 . 1 1 3 CYS SG S 1.118 4.289 -1.882 . . . 1.0 . . . . . . . . . . . . A . 3 CYS SG . . . . . . . . . c18964_2m3i 1 . 16 . 2910 . 1 1 4 SER C C -5.010 2.458 1.690 . . . 1.0 . . . . . . . . . . . . A . 4 SER C . . . . . . . . . c18964_2m3i 1 . 16 . 2911 . 1 1 4 SER CA C -4.085 3.691 1.768 . . . 1.0 . . . . . . . . . . . . A . 4 SER CA . . . . . . . . . c18964_2m3i 1 . 16 . 2912 . 1 1 4 SER CB C -4.889 5.013 1.738 . . . 1.0 . . . . . . . . . . . . A . 4 SER CB . . . . . . . . . c18964_2m3i 1 . 16 . 2913 . 1 1 4 SER H H -3.433 4.020 -0.234 . . . 1.0 . . . . . . . . . . . . A . 4 SER H . . . . . . . . . c18964_2m3i 1 . 16 . 2914 . 1 1 4 SER HA H -3.506 3.642 2.678 . . . 1.0 . . . . . . . . . . . . A . 4 SER HA . . . . . . . . . c18964_2m3i 1 . 16 . 2915 . 1 1 4 SER HB2 H -4.203 5.845 1.769 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB2 . . . . . . . . . c18964_2m3i 1 . 16 . 2916 . 1 1 4 SER HB3 H -5.449 5.053 0.815 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB3 . . . . . . . . . c18964_2m3i 1 . 16 . 2917 . 1 1 4 SER HG H -5.354 4.832 3.635 . . . 1.0 . . . . . . . . . . . . A . 4 SER HG . . . . . . . . . c18964_2m3i 1 . 16 . 2918 . 1 1 4 SER N N -3.168 3.670 0.645 . . . 1.0 . . . . . . . . . . . . A . 4 SER N . . . . . . . . . c18964_2m3i 1 . 16 . 2919 . 1 1 4 SER O O -5.904 2.268 2.522 . . . 1.0 . . . . . . . . . . . . A . 4 SER O . . . . . . . . . c18964_2m3i 1 . 16 . 2920 . 1 1 4 SER OG O -5.794 5.143 2.833 . . . 1.0 . . . . . . . . . . . . A . 4 SER OG . . . . . . . . . c18964_2m3i 1 . 16 . 2921 . 1 1 5 HIS C C -4.624 -0.794 0.534 . . . 1.0 . . . . . . . . . . . . A . 5 HIS C . . . . . . . . . c18964_2m3i 1 . 16 . 2922 . 1 1 5 HIS CA C -5.550 0.437 0.465 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CA . . . . . . . . . c18964_2m3i 1 . 16 . 2923 . 1 1 5 HIS CB C -6.225 0.574 -0.923 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CB . . . . . . . . . c18964_2m3i 1 . 16 . 2924 . 1 1 5 HIS CD2 C -7.032 -1.608 -2.048 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CD2 . . . . . . . . . c18964_2m3i 1 . 16 . 2925 . 1 1 5 HIS CE1 C -9.081 -1.628 -1.346 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CE1 . . . . . . . . . c18964_2m3i 1 . 16 . 2926 . 1 1 5 HIS CG C -7.195 -0.512 -1.277 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CG . . . . . . . . . c18964_2m3i 1 . 16 . 2927 . 1 1 5 HIS H H -3.971 1.752 0.134 . . . 1.0 . . . . . . . . . . . . A . 5 HIS H . . . . . . . . . c18964_2m3i 1 . 16 . 2928 . 1 1 5 HIS HA H -6.304 0.379 1.235 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HA . . . . . . . . . c18964_2m3i 1 . 16 . 2929 . 1 1 5 HIS HB2 H -6.763 1.510 -0.956 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB2 . . . . . . . . . c18964_2m3i 1 . 16 . 2930 . 1 1 5 HIS HB3 H -5.453 0.593 -1.678 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB3 . . . . . . . . . c18964_2m3i 1 . 16 . 2931 . 1 1 5 HIS HD1 H -8.917 0.120 -0.250 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD1 . . . . . . . . . c18964_2m3i 1 . 16 . 2932 . 1 1 5 HIS HD2 H -6.124 -1.882 -2.562 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD2 . . . . . . . . . c18964_2m3i 1 . 16 . 2933 . 1 1 5 HIS HE1 H -10.111 -1.903 -1.167 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HE1 . . . . . . . . . c18964_2m3i 1 . 16 . 2934 . 1 1 5 HIS N N -4.754 1.613 0.711 . . . 1.0 . . . . . . . . . . . . A . 5 HIS N . . . . . . . . . c18964_2m3i 1 . 16 . 2935 . 1 1 5 HIS ND1 N -8.497 -0.542 -0.843 . . . 1.0 . . . . . . . . . . . . A . 5 HIS ND1 . . . . . . . . . c18964_2m3i 1 . 16 . 2936 . 1 1 5 HIS NE2 N -8.228 -2.319 -2.093 . . . 1.0 . . . . . . . . . . . . A . 5 HIS NE2 . . . . . . . . . c18964_2m3i 1 . 16 . 2937 . 1 1 5 HIS O O -3.510 -0.744 0.003 . . . 1.0 . . . . . . . . . . . . A . 5 HIS O . . . . . . . . . c18964_2m3i 1 . 16 . 2938 . 1 1 6 PRO C C -3.340 -3.551 0.297 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . c18964_2m3i 1 . 16 . 2939 . 1 1 6 PRO CA C -4.285 -3.140 1.431 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . c18964_2m3i 1 . 16 . 2940 . 1 1 6 PRO CB C -5.362 -4.218 1.644 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . c18964_2m3i 1 . 16 . 2941 . 1 1 6 PRO CD C -6.410 -2.065 1.756 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . c18964_2m3i 1 . 16 . 2942 . 1 1 6 PRO CG C -6.681 -3.516 1.517 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . c18964_2m3i 1 . 16 . 2943 . 1 1 6 PRO HA H -3.709 -3.046 2.339 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . c18964_2m3i 1 . 16 . 2944 . 1 1 6 PRO HB2 H -5.252 -4.988 0.894 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB2 . . . . . . . . . c18964_2m3i 1 . 16 . 2945 . 1 1 6 PRO HB3 H -5.240 -4.651 2.625 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . c18964_2m3i 1 . 16 . 2946 . 1 1 6 PRO HD2 H -7.140 -1.460 1.239 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD2 . . . . . . . . . c18964_2m3i 1 . 16 . 2947 . 1 1 6 PRO HD3 H -6.404 -1.852 2.814 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . c18964_2m3i 1 . 16 . 2948 . 1 1 6 PRO HG2 H -7.080 -3.662 0.524 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG2 . . . . . . . . . c18964_2m3i 1 . 16 . 2949 . 1 1 6 PRO HG3 H -7.372 -3.896 2.255 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . c18964_2m3i 1 . 16 . 2950 . 1 1 6 PRO N N -5.075 -1.906 1.184 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . c18964_2m3i 1 . 16 . 2951 . 1 1 6 PRO O O -2.179 -3.886 0.552 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . c18964_2m3i 1 . 16 . 2952 . 1 1 7 VAL C C -1.699 -3.176 -2.173 . . . 1.0 . . . . . . . . . . . . A . 7 VAL C . . . . . . . . . c18964_2m3i 1 . 16 . 2953 . 1 1 7 VAL CA C -3.080 -3.856 -2.137 . . . 1.0 . . . . . . . . . . . . A . 7 VAL CA . . . . . . . . . c18964_2m3i 1 . 16 . 2954 . 1 1 7 VAL CB C -3.876 -3.549 -3.445 . . . 1.0 . . . . . . . . . . . . A . 7 VAL CB . . . . . . . . . c18964_2m3i 1 . 16 . 2955 . 1 1 7 VAL CG1 C -3.071 -3.924 -4.686 . . . 1.0 . . . . . . . . . . . . A . 7 VAL CG1 . . . . . . . . . c18964_2m3i 1 . 16 . 2956 . 1 1 7 VAL CG2 C -5.201 -4.301 -3.446 . . . 1.0 . . . . . . . . . . . . A . 7 VAL CG2 . . . . . . . . . c18964_2m3i 1 . 16 . 2957 . 1 1 7 VAL H H -4.756 -3.156 -1.037 . . . 1.0 . . . . . . . . . . . . A . 7 VAL H . . . . . . . . . c18964_2m3i 1 . 16 . 2958 . 1 1 7 VAL HA H -2.920 -4.922 -2.079 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HA . . . . . . . . . c18964_2m3i 1 . 16 . 2959 . 1 1 7 VAL HB H -4.087 -2.491 -3.480 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HB . . . . . . . . . c18964_2m3i 1 . 16 . 2960 . 1 1 7 VAL HG11 H -2.151 -3.357 -4.702 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG11 . . . . . . . . . c18964_2m3i 1 . 16 . 2961 . 1 1 7 VAL HG12 H -3.646 -3.702 -5.571 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG12 . . . . . . . . . c18964_2m3i 1 . 16 . 2962 . 1 1 7 VAL HG13 H -2.842 -4.979 -4.662 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG13 . . . . . . . . . c18964_2m3i 1 . 16 . 2963 . 1 1 7 VAL HG21 H -5.750 -4.064 -4.344 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG21 . . . . . . . . . c18964_2m3i 1 . 16 . 2964 . 1 1 7 VAL HG22 H -5.781 -4.021 -2.580 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG22 . . . . . . . . . c18964_2m3i 1 . 16 . 2965 . 1 1 7 VAL HG23 H -5.007 -5.363 -3.415 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG23 . . . . . . . . . c18964_2m3i 1 . 16 . 2966 . 1 1 7 VAL N N -3.838 -3.479 -0.944 . . . 1.0 . . . . . . . . . . . . A . 7 VAL N . . . . . . . . . c18964_2m3i 1 . 16 . 2967 . 1 1 7 VAL O O -0.676 -3.842 -2.012 . . . 1.0 . . . . . . . . . . . . A . 7 VAL O . . . . . . . . . c18964_2m3i 1 . 16 . 2968 . 1 1 8 CYS C C 0.196 -0.925 -0.998 . . . 1.0 . . . . . . . . . . . . A . 8 CYS C . . . . . . . . . c18964_2m3i 1 . 16 . 2969 . 1 1 8 CYS CA C -0.393 -1.166 -2.378 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CA . . . . . . . . . c18964_2m3i 1 . 16 . 2970 . 1 1 8 CYS CB C -0.525 0.146 -3.137 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CB . . . . . . . . . c18964_2m3i 1 . 16 . 2971 . 1 1 8 CYS H H -2.505 -1.356 -2.334 . . . 1.0 . . . . . . . . . . . . A . 8 CYS H . . . . . . . . . c18964_2m3i 1 . 16 . 2972 . 1 1 8 CYS HA H 0.282 -1.812 -2.919 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HA . . . . . . . . . c18964_2m3i 1 . 16 . 2973 . 1 1 8 CYS HB2 H -1.246 0.764 -2.623 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB2 . . . . . . . . . c18964_2m3i 1 . 16 . 2974 . 1 1 8 CYS HB3 H 0.430 0.648 -3.148 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB3 . . . . . . . . . c18964_2m3i 1 . 16 . 2975 . 1 1 8 CYS N N -1.668 -1.867 -2.297 . . . 1.0 . . . . . . . . . . . . A . 8 CYS N . . . . . . . . . c18964_2m3i 1 . 16 . 2976 . 1 1 8 CYS O O 1.406 -0.798 -0.854 . . . 1.0 . . . . . . . . . . . . A . 8 CYS O . . . . . . . . . c18964_2m3i 1 . 16 . 2977 . 1 1 8 CYS SG S -1.085 -0.042 -4.862 . . . 1.0 . . . . . . . . . . . . A . 8 CYS SG . . . . . . . . . c18964_2m3i 1 . 16 . 2978 . 1 1 9 SER C C 0.697 -1.818 1.869 . . . 1.0 . . . . . . . . . . . . A . 9 SER C . . . . . . . . . c18964_2m3i 1 . 16 . 2979 . 1 1 9 SER CA C -0.220 -0.680 1.376 . . . 1.0 . . . . . . . . . . . . A . 9 SER CA . . . . . . . . . c18964_2m3i 1 . 16 . 2980 . 1 1 9 SER CB C -1.434 -0.502 2.302 . . . 1.0 . . . . . . . . . . . . A . 9 SER CB . . . . . . . . . c18964_2m3i 1 . 16 . 2981 . 1 1 9 SER H H -1.616 -1.011 -0.145 . . . 1.0 . . . . . . . . . . . . A . 9 SER H . . . . . . . . . c18964_2m3i 1 . 16 . 2982 . 1 1 9 SER HA H 0.334 0.243 1.352 . . . 1.0 . . . . . . . . . . . . A . 9 SER HA . . . . . . . . . c18964_2m3i 1 . 16 . 2983 . 1 1 9 SER HB2 H -2.064 0.286 1.918 . . . 1.0 . . . . . . . . . . . . A . 9 SER HB2 . . . . . . . . . c18964_2m3i 1 . 16 . 2984 . 1 1 9 SER HB3 H -1.996 -1.424 2.327 . . . 1.0 . . . . . . . . . . . . A . 9 SER HB3 . . . . . . . . . c18964_2m3i 1 . 16 . 2985 . 1 1 9 SER HG H -0.353 0.500 3.554 . . . 1.0 . . . . . . . . . . . . A . 9 SER HG . . . . . . . . . c18964_2m3i 1 . 16 . 2986 . 1 1 9 SER N N -0.654 -0.905 0.016 . . . 1.0 . . . . . . . . . . . . A . 9 SER N . . . . . . . . . c18964_2m3i 1 . 16 . 2987 . 1 1 9 SER O O 1.640 -1.589 2.634 . . . 1.0 . . . . . . . . . . . . A . 9 SER O . . . . . . . . . c18964_2m3i 1 . 16 . 2988 . 1 1 9 SER OG O -1.049 -0.166 3.619 . . . 1.0 . . . . . . . . . . . . A . 9 SER OG . . . . . . . . . c18964_2m3i 1 . 16 . 2989 . 1 1 10 ALA C C 2.471 -4.264 0.896 . . . 1.0 . . . . . . . . . . . . A . 10 ALA C . . . . . . . . . c18964_2m3i 1 . 16 . 2990 . 1 1 10 ALA CA C 1.258 -4.166 1.802 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CA . . . . . . . . . c18964_2m3i 1 . 16 . 2991 . 1 1 10 ALA CB C 0.462 -5.458 1.797 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CB . . . . . . . . . c18964_2m3i 1 . 16 . 2992 . 1 1 10 ALA H H -0.366 -3.183 0.865 . . . 1.0 . . . . . . . . . . . . A . 10 ALA H . . . . . . . . . c18964_2m3i 1 . 16 . 2993 . 1 1 10 ALA HA H 1.628 -3.986 2.801 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HA . . . . . . . . . c18964_2m3i 1 . 16 . 2994 . 1 1 10 ALA HB1 H 0.124 -5.665 0.794 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB1 . . . . . . . . . c18964_2m3i 1 . 16 . 2995 . 1 1 10 ALA HB2 H -0.392 -5.359 2.452 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB2 . . . . . . . . . c18964_2m3i 1 . 16 . 2996 . 1 1 10 ALA HB3 H 1.088 -6.268 2.140 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB3 . . . . . . . . . c18964_2m3i 1 . 16 . 2997 . 1 1 10 ALA N N 0.427 -3.035 1.427 . . . 1.0 . . . . . . . . . . . . A . 10 ALA N . . . . . . . . . c18964_2m3i 1 . 16 . 2998 . 1 1 10 ALA O O 3.493 -4.837 1.278 . . . 1.0 . . . . . . . . . . . . A . 10 ALA O . . . . . . . . . c18964_2m3i 1 . 16 . 2999 . 1 1 11 MET C C 4.516 -2.719 -0.736 . . . 1.0 . . . . . . . . . . . . A . 11 MET C . . . . . . . . . c18964_2m3i 1 . 16 . 3000 . 1 1 11 MET CA C 3.477 -3.664 -1.246 . . . 1.0 . . . . . . . . . . . . A . 11 MET CA . . . . . . . . . c18964_2m3i 1 . 16 . 3001 . 1 1 11 MET CB C 3.035 -3.207 -2.639 . . . 1.0 . . . . . . . . . . . . A . 11 MET CB . . . . . . . . . c18964_2m3i 1 . 16 . 3002 . 1 1 11 MET CE C 0.467 -4.751 -5.511 . . . 1.0 . . . . . . . . . . . . A . 11 MET CE . . . . . . . . . c18964_2m3i 1 . 16 . 3003 . 1 1 11 MET CG C 2.105 -4.145 -3.369 . . . 1.0 . . . . . . . . . . . . A . 11 MET CG . . . . . . . . . c18964_2m3i 1 . 16 . 3004 . 1 1 11 MET H H 1.500 -3.292 -0.536 . . . 1.0 . . . . . . . . . . . . A . 11 MET H . . . . . . . . . c18964_2m3i 1 . 16 . 3005 . 1 1 11 MET HA H 3.916 -4.640 -1.306 . . . 1.0 . . . . . . . . . . . . A . 11 MET HA . . . . . . . . . c18964_2m3i 1 . 16 . 3006 . 1 1 11 MET HB2 H 2.534 -2.256 -2.542 . . . 1.0 . . . . . . . . . . . . A . 11 MET HB2 . . . . . . . . . c18964_2m3i 1 . 16 . 3007 . 1 1 11 MET HB3 H 3.919 -3.067 -3.241 . . . 1.0 . . . . . . . . . . . . A . 11 MET HB3 . . . . . . . . . c18964_2m3i 1 . 16 . 3008 . 1 1 11 MET HE1 H 0.016 -4.452 -6.446 . . . 1.0 . . . . . . . . . . . . A . 11 MET HE1 . . . . . . . . . c18964_2m3i 1 . 16 . 3009 . 1 1 11 MET HE2 H -0.307 -4.942 -4.783 . . . 1.0 . . . . . . . . . . . . A . 11 MET HE2 . . . . . . . . . c18964_2m3i 1 . 16 . 3010 . 1 1 11 MET HE3 H 1.047 -5.649 -5.665 . . . 1.0 . . . . . . . . . . . . A . 11 MET HE3 . . . . . . . . . c18964_2m3i 1 . 16 . 3011 . 1 1 11 MET HG2 H 2.633 -5.063 -3.578 . . . 1.0 . . . . . . . . . . . . A . 11 MET HG2 . . . . . . . . . c18964_2m3i 1 . 16 . 3012 . 1 1 11 MET HG3 H 1.250 -4.350 -2.743 . . . 1.0 . . . . . . . . . . . . A . 11 MET HG3 . . . . . . . . . c18964_2m3i 1 . 16 . 3013 . 1 1 11 MET N N 2.358 -3.702 -0.300 . . . 1.0 . . . . . . . . . . . . A . 11 MET N . . . . . . . . . c18964_2m3i 1 . 16 . 3014 . 1 1 11 MET O O 5.695 -3.050 -0.611 . . . 1.0 . . . . . . . . . . . . A . 11 MET O . . . . . . . . . c18964_2m3i 1 . 16 . 3015 . 1 1 11 MET SD S 1.531 -3.439 -4.924 . . . 1.0 . . . . . . . . . . . . A . 11 MET SD . . . . . . . . . c18964_2m3i 1 . 16 . 3016 . 1 1 12 SER C C 4.345 -0.072 1.414 . . . 1.0 . . . . . . . . . . . . A . 12 SER C . . . . . . . . . c18964_2m3i 1 . 16 . 3017 . 1 1 12 SER CA C 4.872 -0.537 0.079 . . . 1.0 . . . . . . . . . . . . A . 12 SER CA . . . . . . . . . c18964_2m3i 1 . 16 . 3018 . 1 1 12 SER CB C 4.920 0.630 -0.888 . . . 1.0 . . . . . . . . . . . . A . 12 SER CB . . . . . . . . . c18964_2m3i 1 . 16 . 3019 . 1 1 12 SER H H 3.101 -1.416 -0.555 . . . 1.0 . . . . . . . . . . . . A . 12 SER H . . . . . . . . . c18964_2m3i 1 . 16 . 3020 . 1 1 12 SER HA H 5.872 -0.922 0.201 . . . 1.0 . . . . . . . . . . . . A . 12 SER HA . . . . . . . . . c18964_2m3i 1 . 16 . 3021 . 1 1 12 SER HB2 H 5.207 0.264 -1.859 . . . 1.0 . . . . . . . . . . . . A . 12 SER HB2 . . . . . . . . . c18964_2m3i 1 . 16 . 3022 . 1 1 12 SER HB3 H 3.929 1.054 -0.939 . . . 1.0 . . . . . . . . . . . . A . 12 SER HB3 . . . . . . . . . c18964_2m3i 1 . 16 . 3023 . 1 1 12 SER HG H 6.507 1.747 -1.100 . . . 1.0 . . . . . . . . . . . . A . 12 SER HG . . . . . . . . . c18964_2m3i 1 . 16 . 3024 . 1 1 12 SER N N 4.060 -1.567 -0.427 . . . 1.0 . . . . . . . . . . . . A . 12 SER N . . . . . . . . . c18964_2m3i 1 . 16 . 3025 . 1 1 12 SER O O 3.330 0.621 1.489 . . . 1.0 . . . . . . . . . . . . A . 12 SER O . . . . . . . . . c18964_2m3i 1 . 16 . 3026 . 1 1 12 SER OG O 5.818 1.641 -0.431 . . . 1.0 . . . . . . . . . . . . A . 12 SER OG . . . . . . . . . c18964_2m3i 1 . 16 . 3027 . 1 1 13 PRO C C 5.258 1.414 4.011 . . . 1.0 . . . . . . . . . . . . A . 13 PRO C . . . . . . . . . c18964_2m3i 1 . 16 . 3028 . 1 1 13 PRO CA C 4.676 0.020 3.822 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CA . . . . . . . . . c18964_2m3i 1 . 16 . 3029 . 1 1 13 PRO CB C 5.363 -0.964 4.769 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CB . . . . . . . . . c18964_2m3i 1 . 16 . 3030 . 1 1 13 PRO CD C 6.115 -1.422 2.500 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CD . . . . . . . . . c18964_2m3i 1 . 16 . 3031 . 1 1 13 PRO CG C 6.216 -1.860 3.922 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CG . . . . . . . . . c18964_2m3i 1 . 16 . 3032 . 1 1 13 PRO HA H 3.610 0.040 3.990 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HA . . . . . . . . . c18964_2m3i 1 . 16 . 3033 . 1 1 13 PRO HB2 H 5.965 -0.408 5.473 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HB2 . . . . . . . . . c18964_2m3i 1 . 16 . 3034 . 1 1 13 PRO HB3 H 4.619 -1.528 5.311 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HB3 . . . . . . . . . c18964_2m3i 1 . 16 . 3035 . 1 1 13 PRO HD2 H 7.032 -0.947 2.185 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HD2 . . . . . . . . . c18964_2m3i 1 . 16 . 3036 . 1 1 13 PRO HD3 H 5.895 -2.268 1.866 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HD3 . . . . . . . . . c18964_2m3i 1 . 16 . 3037 . 1 1 13 PRO HG2 H 7.245 -1.748 4.223 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HG2 . . . . . . . . . c18964_2m3i 1 . 16 . 3038 . 1 1 13 PRO HG3 H 5.878 -2.880 4.024 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HG3 . . . . . . . . . c18964_2m3i 1 . 16 . 3039 . 1 1 13 PRO N N 5.007 -0.464 2.494 . . . 1.0 . . . . . . . . . . . . A . 13 PRO N . . . . . . . . . c18964_2m3i 1 . 16 . 3040 . 1 1 13 PRO O O 4.937 2.128 4.952 . . . 1.0 . . . . . . . . . . . . A . 13 PRO O . . . . . . . . . c18964_2m3i 1 . 16 . 3041 . 1 1 14 ILE C C 5.840 4.141 2.612 . . . 1.0 . . . . . . . . . . . . A . 14 ILE C . . . . . . . . . c18964_2m3i 1 . 16 . 3042 . 1 1 14 ILE CA C 6.793 3.051 3.070 . . . 1.0 . . . . . . . . . . . . A . 14 ILE CA . . . . . . . . . c18964_2m3i 1 . 16 . 3043 . 1 1 14 ILE CB C 8.053 2.999 2.161 . . . 1.0 . . . . . . . . . . . . A . 14 ILE CB . . . . . . . . . c18964_2m3i 1 . 16 . 3044 . 1 1 14 ILE CD1 C 10.213 1.664 1.743 . . . 1.0 . . . . . . . . . . . . A . 14 ILE CD1 . . . . . . . . . c18964_2m3i 1 . 16 . 3045 . 1 1 14 ILE CG1 C 8.992 1.868 2.624 . . . 1.0 . . . . . . . . . . . . A . 14 ILE CG1 . . . . . . . . . c18964_2m3i 1 . 16 . 3046 . 1 1 14 ILE CG2 C 8.787 4.338 2.166 . . . 1.0 . . . . . . . . . . . . A . 14 ILE CG2 . . . . . . . . . c18964_2m3i 1 . 16 . 3047 . 1 1 14 ILE H H 6.284 1.122 2.365 . . . 1.0 . . . . . . . . . . . . A . 14 ILE H . . . . . . . . . c18964_2m3i 1 . 16 . 3048 . 1 1 14 ILE HA H 7.086 3.246 4.080 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HA . . . . . . . . . c18964_2m3i 1 . 16 . 3049 . 1 1 14 ILE HB H 7.734 2.791 1.151 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HB . . . . . . . . . c18964_2m3i 1 . 16 . 3050 . 1 1 14 ILE HD11 H 10.817 0.864 2.145 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HD11 . . . . . . . . . c18964_2m3i 1 . 16 . 3051 . 1 1 14 ILE HD12 H 10.793 2.575 1.715 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HD12 . . . . . . . . . c18964_2m3i 1 . 16 . 3052 . 1 1 14 ILE HD13 H 9.897 1.408 0.743 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HD13 . . . . . . . . . c18964_2m3i 1 . 16 . 3053 . 1 1 14 ILE HG12 H 9.344 2.089 3.620 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HG12 . . . . . . . . . c18964_2m3i 1 . 16 . 3054 . 1 1 14 ILE HG13 H 8.438 0.941 2.646 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HG13 . . . . . . . . . c18964_2m3i 1 . 16 . 3055 . 1 1 14 ILE HG21 H 9.644 4.276 1.513 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HG21 . . . . . . . . . c18964_2m3i 1 . 16 . 3056 . 1 1 14 ILE HG22 H 9.115 4.562 3.170 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HG22 . . . . . . . . . c18964_2m3i 1 . 16 . 3057 . 1 1 14 ILE HG23 H 8.122 5.117 1.820 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HG23 . . . . . . . . . c18964_2m3i 1 . 16 . 3058 . 1 1 14 ILE N N 6.115 1.776 3.076 . . . 1.0 . . . . . . . . . . . . A . 14 ILE N . . . . . . . . . c18964_2m3i 1 . 16 . 3059 . 1 1 14 ILE O O 5.897 5.290 3.050 . . . 1.0 . . . . . . . . . . . . A . 14 ILE O . . . . . . . . . c18964_2m3i 1 . 16 . 3060 . 1 1 15 CYS C C 2.710 4.569 2.069 . . . 1.0 . . . . . . . . . . . . A . 15 CYS C . . . . . . . . . c18964_2m3i 1 . 16 . 3061 . 1 1 15 CYS CA C 3.974 4.633 1.222 . . . 1.0 . . . . . . . . . . . . A . 15 CYS CA . . . . . . . . . c18964_2m3i 1 . 16 . 3062 . 1 1 15 CYS CB C 3.690 4.238 -0.242 . . . 1.0 . . . . . . . . . . . . A . 15 CYS CB . . . . . . . . . c18964_2m3i 1 . 16 . 3063 . 1 1 15 CYS H H 4.985 2.790 1.596 . . . 1.0 . . . . . . . . . . . . A . 15 CYS H . . . . . . . . . c18964_2m3i 1 . 16 . 3064 . 1 1 15 CYS HA H 4.366 5.639 1.254 . . . 1.0 . . . . . . . . . . . . A . 15 CYS HA . . . . . . . . . c18964_2m3i 1 . 16 . 3065 . 1 1 15 CYS HB2 H 4.628 4.138 -0.767 . . . 1.0 . . . . . . . . . . . . A . 15 CYS HB2 . . . . . . . . . c18964_2m3i 1 . 16 . 3066 . 1 1 15 CYS HB3 H 3.186 3.282 -0.246 . . . 1.0 . . . . . . . . . . . . A . 15 CYS HB3 . . . . . . . . . c18964_2m3i 1 . 16 . 3067 . 1 1 15 CYS N N 4.956 3.747 1.789 . . . 1.0 . . . . . . . . . . . . A . 15 CYS N . . . . . . . . . c18964_2m3i 1 . 16 . 3068 . 1 1 15 CYS O O 1.837 3.733 1.846 . . . 1.0 . . . . . . . . . . . . A . 15 CYS O . . . . . . . . . c18964_2m3i 1 . 16 . 3069 . 1 1 15 CYS SG S 2.655 5.418 -1.191 . . . 1.0 . . . . . . . . . . . . A . 15 CYS SG . . . . . . . . . c18964_2m3i 1 . 16 . 3070 . 1 1 16 NH2 HN1 H 3.370 6.045 3.183 . . . 1.0 . . . . . . . . . . . . A . 16 NH2 HN1 . . . . . . . . . c18964_2m3i 1 . 16 . 3071 . 1 1 16 NH2 HN2 H 1.852 5.365 3.657 . . . 1.0 . . . . . . . . . . . . A . 16 NH2 HN2 . . . . . . . . . c18964_2m3i 1 . 16 . 3072 . 1 1 16 NH2 N N 2.634 5.408 3.069 . . . 1.0 . . . . . . . . . . . . A . 16 NH2 N . . . . . . . . . c18964_2m3i 1 . 17 . 3073 . 1 1 1 GLY C C -4.066 3.993 -3.125 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c18964_2m3i 1 . 17 . 3074 . 1 1 1 GLY CA C -4.769 5.117 -3.831 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c18964_2m3i 1 . 17 . 3075 . 1 1 1 GLY H1 H -6.292 5.359 -5.229 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c18964_2m3i 1 . 17 . 3076 . 1 1 1 GLY H2 H -6.457 4.014 -4.215 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H2 . . . . . . . . . c18964_2m3i 1 . 17 . 3077 . 1 1 1 GLY H3 H -5.355 3.975 -5.460 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H3 . . . . . . . . . c18964_2m3i 1 . 17 . 3078 . 1 1 1 GLY HA2 H -4.045 5.697 -4.379 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c18964_2m3i 1 . 17 . 3079 . 1 1 1 GLY HA3 H -5.252 5.748 -3.099 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c18964_2m3i 1 . 17 . 3080 . 1 1 1 GLY N N -5.779 4.597 -4.743 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c18964_2m3i 1 . 17 . 3081 . 1 1 1 GLY O O -4.676 3.280 -2.364 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c18964_2m3i 1 . 17 . 3082 . 1 1 2 CYS C C -1.895 2.834 -1.305 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . c18964_2m3i 1 . 17 . 3083 . 1 1 2 CYS CA C -2.018 2.765 -2.803 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . c18964_2m3i 1 . 17 . 3084 . 1 1 2 CYS CB C -0.658 2.734 -3.406 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . c18964_2m3i 1 . 17 . 3085 . 1 1 2 CYS H H -2.299 4.441 -3.967 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . c18964_2m3i 1 . 17 . 3086 . 1 1 2 CYS HA H -2.510 1.844 -3.072 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . c18964_2m3i 1 . 17 . 3087 . 1 1 2 CYS HB2 H -0.339 3.753 -3.563 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . c18964_2m3i 1 . 17 . 3088 . 1 1 2 CYS HB3 H -0.025 2.264 -2.677 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . c18964_2m3i 1 . 17 . 3089 . 1 1 2 CYS N N -2.788 3.832 -3.373 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . c18964_2m3i 1 . 17 . 3090 . 1 1 2 CYS O O -1.967 1.813 -0.619 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . c18964_2m3i 1 . 17 . 3091 . 1 1 2 CYS SG S -0.551 1.835 -4.962 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . c18964_2m3i 1 . 17 . 3092 . 1 1 3 CYS C C -2.851 4.085 1.373 . . . 1.0 . . . . . . . . . . . . A . 3 CYS C . . . . . . . . . c18964_2m3i 1 . 17 . 3093 . 1 1 3 CYS CA C -1.548 4.218 0.609 . . . 1.0 . . . . . . . . . . . . A . 3 CYS CA . . . . . . . . . c18964_2m3i 1 . 17 . 3094 . 1 1 3 CYS CB C -0.924 5.570 0.829 . . . 1.0 . . . . . . . . . . . . A . 3 CYS CB . . . . . . . . . c18964_2m3i 1 . 17 . 3095 . 1 1 3 CYS H H -1.760 4.811 -1.371 . . . 1.0 . . . . . . . . . . . . A . 3 CYS H . . . . . . . . . c18964_2m3i 1 . 17 . 3096 . 1 1 3 CYS HA H -0.853 3.463 0.935 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HA . . . . . . . . . c18964_2m3i 1 . 17 . 3097 . 1 1 3 CYS HB2 H -1.613 6.331 0.493 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HB2 . . . . . . . . . c18964_2m3i 1 . 17 . 3098 . 1 1 3 CYS HB3 H -0.760 5.671 1.886 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HB3 . . . . . . . . . c18964_2m3i 1 . 17 . 3099 . 1 1 3 CYS N N -1.747 4.017 -0.796 . . . 1.0 . . . . . . . . . . . . A . 3 CYS N . . . . . . . . . c18964_2m3i 1 . 17 . 3100 . 1 1 3 CYS O O -2.881 4.105 2.594 . . . 1.0 . . . . . . . . . . . . A . 3 CYS O . . . . . . . . . c18964_2m3i 1 . 17 . 3101 . 1 1 3 CYS SG S 0.665 5.778 -0.059 . . . 1.0 . . . . . . . . . . . . A . 3 CYS SG . . . . . . . . . c18964_2m3i 1 . 17 . 3102 . 1 1 4 SER C C -5.858 2.476 0.702 . . . 1.0 . . . . . . . . . . . . A . 4 SER C . . . . . . . . . c18964_2m3i 1 . 17 . 3103 . 1 1 4 SER CA C -5.214 3.783 1.193 . . . 1.0 . . . . . . . . . . . . A . 4 SER CA . . . . . . . . . c18964_2m3i 1 . 17 . 3104 . 1 1 4 SER CB C -6.064 4.991 0.806 . . . 1.0 . . . . . . . . . . . . A . 4 SER CB . . . . . . . . . c18964_2m3i 1 . 17 . 3105 . 1 1 4 SER H H -3.777 4.000 -0.331 . . . 1.0 . . . . . . . . . . . . A . 4 SER H . . . . . . . . . c18964_2m3i 1 . 17 . 3106 . 1 1 4 SER HA H -5.128 3.757 2.268 . . . 1.0 . . . . . . . . . . . . A . 4 SER HA . . . . . . . . . c18964_2m3i 1 . 17 . 3107 . 1 1 4 SER HB2 H -7.091 4.801 1.080 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB2 . . . . . . . . . c18964_2m3i 1 . 17 . 3108 . 1 1 4 SER HB3 H -5.702 5.869 1.319 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB3 . . . . . . . . . c18964_2m3i 1 . 17 . 3109 . 1 1 4 SER HG H -5.863 6.165 -0.730 . . . 1.0 . . . . . . . . . . . . A . 4 SER HG . . . . . . . . . c18964_2m3i 1 . 17 . 3110 . 1 1 4 SER N N -3.902 3.953 0.639 . . . 1.0 . . . . . . . . . . . . A . 4 SER N . . . . . . . . . c18964_2m3i 1 . 17 . 3111 . 1 1 4 SER O O -7.068 2.277 0.857 . . . 1.0 . . . . . . . . . . . . A . 4 SER O . . . . . . . . . c18964_2m3i 1 . 17 . 3112 . 1 1 4 SER OG O -6.011 5.220 -0.597 . . . 1.0 . . . . . . . . . . . . A . 4 SER OG . . . . . . . . . c18964_2m3i 1 . 17 . 3113 . 1 1 5 HIS C C -4.702 -0.834 0.039 . . . 1.0 . . . . . . . . . . . . A . 5 HIS C . . . . . . . . . c18964_2m3i 1 . 17 . 3114 . 1 1 5 HIS CA C -5.574 0.337 -0.400 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CA . . . . . . . . . c18964_2m3i 1 . 17 . 3115 . 1 1 5 HIS CB C -5.641 0.426 -1.929 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CB . . . . . . . . . c18964_2m3i 1 . 17 . 3116 . 1 1 5 HIS CD2 C -7.514 -1.293 -2.402 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CD2 . . . . . . . . . c18964_2m3i 1 . 17 . 3117 . 1 1 5 HIS CE1 C -6.612 -2.370 -4.046 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CE1 . . . . . . . . . c18964_2m3i 1 . 17 . 3118 . 1 1 5 HIS CG C -6.302 -0.737 -2.610 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CG . . . . . . . . . c18964_2m3i 1 . 17 . 3119 . 1 1 5 HIS H H -4.083 1.727 0.131 . . . 1.0 . . . . . . . . . . . . A . 5 HIS H . . . . . . . . . c18964_2m3i 1 . 17 . 3120 . 1 1 5 HIS HA H -6.572 0.208 -0.010 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HA . . . . . . . . . c18964_2m3i 1 . 17 . 3121 . 1 1 5 HIS HB2 H -6.180 1.323 -2.196 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB2 . . . . . . . . . c18964_2m3i 1 . 17 . 3122 . 1 1 5 HIS HB3 H -4.632 0.507 -2.306 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB3 . . . . . . . . . c18964_2m3i 1 . 17 . 3123 . 1 1 5 HIS HD1 H -4.877 -1.235 -4.079 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD1 . . . . . . . . . c18964_2m3i 1 . 17 . 3124 . 1 1 5 HIS HD2 H -8.227 -0.981 -1.653 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD2 . . . . . . . . . c18964_2m3i 1 . 17 . 3125 . 1 1 5 HIS HE1 H -6.442 -3.067 -4.855 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HE1 . . . . . . . . . c18964_2m3i 1 . 17 . 3126 . 1 1 5 HIS N N -5.052 1.576 0.151 . . . 1.0 . . . . . . . . . . . . A . 5 HIS N . . . . . . . . . c18964_2m3i 1 . 17 . 3127 . 1 1 5 HIS ND1 N -5.743 -1.430 -3.657 . . . 1.0 . . . . . . . . . . . . A . 5 HIS ND1 . . . . . . . . . c18964_2m3i 1 . 17 . 3128 . 1 1 5 HIS NE2 N -7.709 -2.330 -3.312 . . . 1.0 . . . . . . . . . . . . A . 5 HIS NE2 . . . . . . . . . c18964_2m3i 1 . 17 . 3129 . 1 1 5 HIS O O -3.539 -0.930 -0.384 . . . 1.0 . . . . . . . . . . . . A . 5 HIS O . . . . . . . . . c18964_2m3i 1 . 17 . 3130 . 1 1 6 PRO C C -3.428 -3.512 0.747 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . c18964_2m3i 1 . 17 . 3131 . 1 1 6 PRO CA C -4.606 -2.891 1.512 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . c18964_2m3i 1 . 17 . 3132 . 1 1 6 PRO CB C -5.749 -3.879 1.637 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . c18964_2m3i 1 . 17 . 3133 . 1 1 6 PRO CD C -6.706 -1.704 1.287 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . c18964_2m3i 1 . 17 . 3134 . 1 1 6 PRO CG C -6.912 -3.027 1.994 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . c18964_2m3i 1 . 17 . 3135 . 1 1 6 PRO HA H -4.274 -2.638 2.506 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . c18964_2m3i 1 . 17 . 3136 . 1 1 6 PRO HB2 H -5.893 -4.374 0.688 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB2 . . . . . . . . . c18964_2m3i 1 . 17 . 3137 . 1 1 6 PRO HB3 H -5.539 -4.606 2.407 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . c18964_2m3i 1 . 17 . 3138 . 1 1 6 PRO HD2 H -7.352 -1.646 0.423 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD2 . . . . . . . . . c18964_2m3i 1 . 17 . 3139 . 1 1 6 PRO HD3 H -6.893 -0.880 1.959 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . c18964_2m3i 1 . 17 . 3140 . 1 1 6 PRO HG2 H -7.827 -3.497 1.662 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG2 . . . . . . . . . c18964_2m3i 1 . 17 . 3141 . 1 1 6 PRO HG3 H -6.937 -2.878 3.063 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . c18964_2m3i 1 . 17 . 3142 . 1 1 6 PRO N N -5.278 -1.738 0.872 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . c18964_2m3i 1 . 17 . 3143 . 1 1 6 PRO O O -2.283 -3.474 1.224 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . c18964_2m3i 1 . 17 . 3144 . 1 1 7 VAL C C -1.486 -3.826 -1.606 . . . 1.0 . . . . . . . . . . . . A . 7 VAL C . . . . . . . . . c18964_2m3i 1 . 17 . 3145 . 1 1 7 VAL CA C -2.670 -4.726 -1.227 . . . 1.0 . . . . . . . . . . . . A . 7 VAL CA . . . . . . . . . c18964_2m3i 1 . 17 . 3146 . 1 1 7 VAL CB C -3.241 -5.431 -2.498 . . . 1.0 . . . . . . . . . . . . A . 7 VAL CB . . . . . . . . . c18964_2m3i 1 . 17 . 3147 . 1 1 7 VAL CG1 C -4.267 -6.482 -2.122 . . . 1.0 . . . . . . . . . . . . A . 7 VAL CG1 . . . . . . . . . c18964_2m3i 1 . 17 . 3148 . 1 1 7 VAL CG2 C -3.838 -4.434 -3.483 . . . 1.0 . . . . . . . . . . . . A . 7 VAL CG2 . . . . . . . . . c18964_2m3i 1 . 17 . 3149 . 1 1 7 VAL H H -4.603 -3.948 -0.801 . . . 1.0 . . . . . . . . . . . . A . 7 VAL H . . . . . . . . . c18964_2m3i 1 . 17 . 3150 . 1 1 7 VAL HA H -2.279 -5.492 -0.574 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HA . . . . . . . . . c18964_2m3i 1 . 17 . 3151 . 1 1 7 VAL HB H -2.419 -5.939 -2.981 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HB . . . . . . . . . c18964_2m3i 1 . 17 . 3152 . 1 1 7 VAL HG11 H -3.803 -7.233 -1.502 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG11 . . . . . . . . . c18964_2m3i 1 . 17 . 3153 . 1 1 7 VAL HG12 H -4.657 -6.943 -3.018 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG12 . . . . . . . . . c18964_2m3i 1 . 17 . 3154 . 1 1 7 VAL HG13 H -5.074 -6.013 -1.576 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG13 . . . . . . . . . c18964_2m3i 1 . 17 . 3155 . 1 1 7 VAL HG21 H -3.077 -3.735 -3.797 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG21 . . . . . . . . . c18964_2m3i 1 . 17 . 3156 . 1 1 7 VAL HG22 H -4.643 -3.896 -3.005 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG22 . . . . . . . . . c18964_2m3i 1 . 17 . 3157 . 1 1 7 VAL HG23 H -4.220 -4.962 -4.345 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG23 . . . . . . . . . c18964_2m3i 1 . 17 . 3158 . 1 1 7 VAL N N -3.692 -4.029 -0.447 . . . 1.0 . . . . . . . . . . . . A . 7 VAL N . . . . . . . . . c18964_2m3i 1 . 17 . 3159 . 1 1 7 VAL O O -0.342 -4.273 -1.618 . . . 1.0 . . . . . . . . . . . . A . 7 VAL O . . . . . . . . . c18964_2m3i 1 . 17 . 3160 . 1 1 8 CYS C C 0.005 -1.072 -1.067 . . . 1.0 . . . . . . . . . . . . A . 8 CYS C . . . . . . . . . c18964_2m3i 1 . 17 . 3161 . 1 1 8 CYS CA C -0.654 -1.703 -2.287 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CA . . . . . . . . . c18964_2m3i 1 . 17 . 3162 . 1 1 8 CYS CB C -1.134 -0.654 -3.284 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CB . . . . . . . . . c18964_2m3i 1 . 17 . 3163 . 1 1 8 CYS H H -2.636 -2.200 -1.733 . . . 1.0 . . . . . . . . . . . . A . 8 CYS H . . . . . . . . . c18964_2m3i 1 . 17 . 3164 . 1 1 8 CYS HA H 0.079 -2.341 -2.758 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HA . . . . . . . . . c18964_2m3i 1 . 17 . 3165 . 1 1 8 CYS HB2 H -1.894 -1.081 -3.921 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB2 . . . . . . . . . c18964_2m3i 1 . 17 . 3166 . 1 1 8 CYS HB3 H -1.550 0.159 -2.706 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB3 . . . . . . . . . c18964_2m3i 1 . 17 . 3167 . 1 1 8 CYS N N -1.733 -2.562 -1.858 . . . 1.0 . . . . . . . . . . . . A . 8 CYS N . . . . . . . . . c18964_2m3i 1 . 17 . 3168 . 1 1 8 CYS O O 1.150 -0.651 -1.117 . . . 1.0 . . . . . . . . . . . . A . 8 CYS O . . . . . . . . . c18964_2m3i 1 . 17 . 3169 . 1 1 8 CYS SG S 0.186 0.045 -4.352 . . . 1.0 . . . . . . . . . . . . A . 8 CYS SG . . . . . . . . . c18964_2m3i 1 . 17 . 3170 . 1 1 9 SER C C 0.812 -1.654 1.825 . . . 1.0 . . . . . . . . . . . . A . 9 SER C . . . . . . . . . c18964_2m3i 1 . 17 . 3171 . 1 1 9 SER CA C -0.164 -0.591 1.295 . . . 1.0 . . . . . . . . . . . . A . 9 SER CA . . . . . . . . . c18964_2m3i 1 . 17 . 3172 . 1 1 9 SER CB C -1.275 -0.342 2.300 . . . 1.0 . . . . . . . . . . . . A . 9 SER CB . . . . . . . . . c18964_2m3i 1 . 17 . 3173 . 1 1 9 SER H H -1.667 -1.288 0.026 . . . 1.0 . . . . . . . . . . . . A . 9 SER H . . . . . . . . . c18964_2m3i 1 . 17 . 3174 . 1 1 9 SER HA H 0.342 0.333 1.078 . . . 1.0 . . . . . . . . . . . . A . 9 SER HA . . . . . . . . . c18964_2m3i 1 . 17 . 3175 . 1 1 9 SER HB2 H -1.753 -1.279 2.542 . . . 1.0 . . . . . . . . . . . . A . 9 SER HB2 . . . . . . . . . c18964_2m3i 1 . 17 . 3176 . 1 1 9 SER HB3 H -0.862 0.097 3.195 . . . 1.0 . . . . . . . . . . . . A . 9 SER HB3 . . . . . . . . . c18964_2m3i 1 . 17 . 3177 . 1 1 9 SER HG H -1.933 0.860 0.902 . . . 1.0 . . . . . . . . . . . . A . 9 SER HG . . . . . . . . . c18964_2m3i 1 . 17 . 3178 . 1 1 9 SER N N -0.719 -1.040 0.045 . . . 1.0 . . . . . . . . . . . . A . 9 SER N . . . . . . . . . c18964_2m3i 1 . 17 . 3179 . 1 1 9 SER O O 1.718 -1.361 2.606 . . . 1.0 . . . . . . . . . . . . A . 9 SER O . . . . . . . . . c18964_2m3i 1 . 17 . 3180 . 1 1 9 SER OG O -2.250 0.545 1.761 . . . 1.0 . . . . . . . . . . . . A . 9 SER OG . . . . . . . . . c18964_2m3i 1 . 17 . 3181 . 1 1 10 ALA C C 2.655 -3.949 0.764 . . . 1.0 . . . . . . . . . . . . A . 10 ALA C . . . . . . . . . c18964_2m3i 1 . 17 . 3182 . 1 1 10 ALA CA C 1.472 -3.986 1.714 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CA . . . . . . . . . c18964_2m3i 1 . 17 . 3183 . 1 1 10 ALA CB C 0.735 -5.313 1.597 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CB . . . . . . . . . c18964_2m3i 1 . 17 . 3184 . 1 1 10 ALA H H -0.226 -3.063 0.882 . . . 1.0 . . . . . . . . . . . . A . 10 ALA H . . . . . . . . . c18964_2m3i 1 . 17 . 3185 . 1 1 10 ALA HA H 1.825 -3.866 2.728 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HA . . . . . . . . . c18964_2m3i 1 . 17 . 3186 . 1 1 10 ALA HB1 H -0.106 -5.322 2.273 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB1 . . . . . . . . . c18964_2m3i 1 . 17 . 3187 . 1 1 10 ALA HB2 H 1.405 -6.124 1.842 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB2 . . . . . . . . . c18964_2m3i 1 . 17 . 3188 . 1 1 10 ALA HB3 H 0.380 -5.435 0.583 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB3 . . . . . . . . . c18964_2m3i 1 . 17 . 3189 . 1 1 10 ALA N N 0.589 -2.891 1.402 . . . 1.0 . . . . . . . . . . . . A . 10 ALA N . . . . . . . . . c18964_2m3i 1 . 17 . 3190 . 1 1 10 ALA O O 3.790 -4.200 1.157 . . . 1.0 . . . . . . . . . . . . A . 10 ALA O . . . . . . . . . c18964_2m3i 1 . 17 . 3191 . 1 1 11 MET C C 4.361 -2.380 -1.168 . . . 1.0 . . . . . . . . . . . . A . 11 MET C . . . . . . . . . c18964_2m3i 1 . 17 . 3192 . 1 1 11 MET CA C 3.406 -3.493 -1.532 . . . 1.0 . . . . . . . . . . . . A . 11 MET CA . . . . . . . . . c18964_2m3i 1 . 17 . 3193 . 1 1 11 MET CB C 2.783 -3.222 -2.904 . . . 1.0 . . . . . . . . . . . . A . 11 MET CB . . . . . . . . . c18964_2m3i 1 . 17 . 3194 . 1 1 11 MET CE C 4.504 -2.478 -6.627 . . . 1.0 . . . . . . . . . . . . A . 11 MET CE . . . . . . . . . c18964_2m3i 1 . 17 . 3195 . 1 1 11 MET CG C 3.803 -3.044 -4.018 . . . 1.0 . . . . . . . . . . . . A . 11 MET CG . . . . . . . . . c18964_2m3i 1 . 17 . 3196 . 1 1 11 MET H H 1.429 -3.532 -0.754 . . . 1.0 . . . . . . . . . . . . A . 11 MET H . . . . . . . . . c18964_2m3i 1 . 17 . 3197 . 1 1 11 MET HA H 3.968 -4.405 -1.566 . . . 1.0 . . . . . . . . . . . . A . 11 MET HA . . . . . . . . . c18964_2m3i 1 . 17 . 3198 . 1 1 11 MET HB2 H 2.131 -4.042 -3.165 . . . 1.0 . . . . . . . . . . . . A . 11 MET HB2 . . . . . . . . . c18964_2m3i 1 . 17 . 3199 . 1 1 11 MET HB3 H 2.198 -2.316 -2.837 . . . 1.0 . . . . . . . . . . . . A . 11 MET HB3 . . . . . . . . . c18964_2m3i 1 . 17 . 3200 . 1 1 11 MET HE1 H 4.208 -2.237 -7.636 . . . 1.0 . . . . . . . . . . . . A . 11 MET HE1 . . . . . . . . . c18964_2m3i 1 . 17 . 3201 . 1 1 11 MET HE2 H 5.057 -3.406 -6.625 . . . 1.0 . . . . . . . . . . . . A . 11 MET HE2 . . . . . . . . . c18964_2m3i 1 . 17 . 3202 . 1 1 11 MET HE3 H 5.127 -1.687 -6.236 . . . 1.0 . . . . . . . . . . . . A . 11 MET HE3 . . . . . . . . . c18964_2m3i 1 . 17 . 3203 . 1 1 11 MET HG2 H 4.472 -2.241 -3.748 . . . 1.0 . . . . . . . . . . . . A . 11 MET HG2 . . . . . . . . . c18964_2m3i 1 . 17 . 3204 . 1 1 11 MET HG3 H 4.366 -3.959 -4.121 . . . 1.0 . . . . . . . . . . . . A . 11 MET HG3 . . . . . . . . . c18964_2m3i 1 . 17 . 3205 . 1 1 11 MET N N 2.370 -3.634 -0.499 . . . 1.0 . . . . . . . . . . . . A . 11 MET N . . . . . . . . . c18964_2m3i 1 . 17 . 3206 . 1 1 11 MET O O 5.584 -2.496 -1.303 . . . 1.0 . . . . . . . . . . . . A . 11 MET O . . . . . . . . . c18964_2m3i 1 . 17 . 3207 . 1 1 11 MET SD S 3.044 -2.648 -5.602 . . . 1.0 . . . . . . . . . . . . A . 11 MET SD . . . . . . . . . c18964_2m3i 1 . 17 . 3208 . 1 1 12 SER C C 4.209 0.102 1.165 . . . 1.0 . . . . . . . . . . . . A . 12 SER C . . . . . . . . . c18964_2m3i 1 . 17 . 3209 . 1 1 12 SER CA C 4.549 -0.212 -0.279 . . . 1.0 . . . . . . . . . . . . A . 12 SER CA . . . . . . . . . c18964_2m3i 1 . 17 . 3210 . 1 1 12 SER CB C 4.325 1.013 -1.146 . . . 1.0 . . . . . . . . . . . . A . 12 SER CB . . . . . . . . . c18964_2m3i 1 . 17 . 3211 . 1 1 12 SER H H 2.823 -1.288 -0.757 . . . 1.0 . . . . . . . . . . . . A . 12 SER H . . . . . . . . . c18964_2m3i 1 . 17 . 3212 . 1 1 12 SER HA H 5.594 -0.481 -0.334 . . . 1.0 . . . . . . . . . . . . A . 12 SER HA . . . . . . . . . c18964_2m3i 1 . 17 . 3213 . 1 1 12 SER HB2 H 4.483 0.743 -2.178 . . . 1.0 . . . . . . . . . . . . A . 12 SER HB2 . . . . . . . . . c18964_2m3i 1 . 17 . 3214 . 1 1 12 SER HB3 H 3.305 1.339 -1.008 . . . 1.0 . . . . . . . . . . . . A . 12 SER HB3 . . . . . . . . . c18964_2m3i 1 . 17 . 3215 . 1 1 12 SER HG H 5.833 2.187 -1.476 . . . 1.0 . . . . . . . . . . . . A . 12 SER HG . . . . . . . . . c18964_2m3i 1 . 17 . 3216 . 1 1 12 SER N N 3.802 -1.317 -0.736 . . . 1.0 . . . . . . . . . . . . A . 12 SER N . . . . . . . . . c18964_2m3i 1 . 17 . 3217 . 1 1 12 SER O O 3.289 0.893 1.453 . . . 1.0 . . . . . . . . . . . . A . 12 SER O . . . . . . . . . c18964_2m3i 1 . 17 . 3218 . 1 1 12 SER OG O 5.196 2.076 -0.760 . . . 1.0 . . . . . . . . . . . . A . 12 SER OG . . . . . . . . . c18964_2m3i 1 . 17 . 3219 . 1 1 13 PRO C C 5.640 1.020 3.826 . . . 1.0 . . . . . . . . . . . . A . 13 PRO C . . . . . . . . . c18964_2m3i 1 . 17 . 3220 . 1 1 13 PRO CA C 4.776 -0.195 3.512 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CA . . . . . . . . . c18964_2m3i 1 . 17 . 3221 . 1 1 13 PRO CB C 5.284 -1.444 4.224 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CB . . . . . . . . . c18964_2m3i 1 . 17 . 3222 . 1 1 13 PRO CD C 5.902 -1.613 1.902 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CD . . . . . . . . . c18964_2m3i 1 . 17 . 3223 . 1 1 13 PRO CG C 6.285 -2.035 3.297 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CG . . . . . . . . . c18964_2m3i 1 . 17 . 3224 . 1 1 13 PRO HA H 3.748 0.013 3.768 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HA . . . . . . . . . c18964_2m3i 1 . 17 . 3225 . 1 1 13 PRO HB2 H 5.726 -1.169 5.170 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HB2 . . . . . . . . . c18964_2m3i 1 . 17 . 3226 . 1 1 13 PRO HB3 H 4.457 -2.118 4.390 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HB3 . . . . . . . . . c18964_2m3i 1 . 17 . 3227 . 1 1 13 PRO HD2 H 6.768 -1.249 1.371 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HD2 . . . . . . . . . c18964_2m3i 1 . 17 . 3228 . 1 1 13 PRO HD3 H 5.450 -2.435 1.366 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HD3 . . . . . . . . . c18964_2m3i 1 . 17 . 3229 . 1 1 13 PRO HG2 H 7.264 -1.652 3.542 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HG2 . . . . . . . . . c18964_2m3i 1 . 17 . 3230 . 1 1 13 PRO HG3 H 6.270 -3.112 3.381 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HG3 . . . . . . . . . c18964_2m3i 1 . 17 . 3231 . 1 1 13 PRO N N 4.921 -0.520 2.114 . . . 1.0 . . . . . . . . . . . . A . 13 PRO N . . . . . . . . . c18964_2m3i 1 . 17 . 3232 . 1 1 13 PRO O O 5.734 1.476 4.961 . . . 1.0 . . . . . . . . . . . . A . 13 PRO O . . . . . . . . . c18964_2m3i 1 . 17 . 3233 . 1 1 14 ILE C C 6.177 3.903 3.001 . . . 1.0 . . . . . . . . . . . . A . 14 ILE C . . . . . . . . . c18964_2m3i 1 . 17 . 3234 . 1 1 14 ILE CA C 7.080 2.719 2.788 . . . 1.0 . . . . . . . . . . . . A . 14 ILE CA . . . . . . . . . c18964_2m3i 1 . 17 . 3235 . 1 1 14 ILE CB C 7.857 2.882 1.444 . . . 1.0 . . . . . . . . . . . . A . 14 ILE CB . . . . . . . . . c18964_2m3i 1 . 17 . 3236 . 1 1 14 ILE CD1 C 9.598 1.091 2.105 . . . 1.0 . . . . . . . . . . . . A . 14 ILE CD1 . . . . . . . . . c18964_2m3i 1 . 17 . 3237 . 1 1 14 ILE CG1 C 8.604 1.582 1.067 . . . 1.0 . . . . . . . . . . . . A . 14 ILE CG1 . . . . . . . . . c18964_2m3i 1 . 17 . 3238 . 1 1 14 ILE CG2 C 8.824 4.062 1.489 . . . 1.0 . . . . . . . . . . . . A . 14 ILE CG2 . . . . . . . . . c18964_2m3i 1 . 17 . 3239 . 1 1 14 ILE H H 6.117 1.078 1.905 . . . 1.0 . . . . . . . . . . . . A . 14 ILE H . . . . . . . . . c18964_2m3i 1 . 17 . 3240 . 1 1 14 ILE HA H 7.765 2.627 3.604 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HA . . . . . . . . . c18964_2m3i 1 . 17 . 3241 . 1 1 14 ILE HB H 7.129 3.090 0.676 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HB . . . . . . . . . c18964_2m3i 1 . 17 . 3242 . 1 1 14 ILE HD11 H 10.095 0.205 1.740 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HD11 . . . . . . . . . c18964_2m3i 1 . 17 . 3243 . 1 1 14 ILE HD12 H 9.071 0.852 3.018 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HD12 . . . . . . . . . c18964_2m3i 1 . 17 . 3244 . 1 1 14 ILE HD13 H 10.325 1.864 2.299 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HD13 . . . . . . . . . c18964_2m3i 1 . 17 . 3245 . 1 1 14 ILE HG12 H 7.883 0.793 0.912 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HG12 . . . . . . . . . c18964_2m3i 1 . 17 . 3246 . 1 1 14 ILE HG13 H 9.141 1.750 0.146 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HG13 . . . . . . . . . c18964_2m3i 1 . 17 . 3247 . 1 1 14 ILE HG21 H 9.549 3.901 2.272 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HG21 . . . . . . . . . c18964_2m3i 1 . 17 . 3248 . 1 1 14 ILE HG22 H 8.272 4.968 1.689 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HG22 . . . . . . . . . c18964_2m3i 1 . 17 . 3249 . 1 1 14 ILE HG23 H 9.330 4.149 0.538 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HG23 . . . . . . . . . c18964_2m3i 1 . 17 . 3250 . 1 1 14 ILE N N 6.250 1.541 2.757 . . . 1.0 . . . . . . . . . . . . A . 14 ILE N . . . . . . . . . c18964_2m3i 1 . 17 . 3251 . 1 1 14 ILE O O 6.523 4.901 3.625 . . . 1.0 . . . . . . . . . . . . A . 14 ILE O . . . . . . . . . c18964_2m3i 1 . 17 . 3252 . 1 1 15 CYS C C 2.999 4.245 3.692 . . . 1.0 . . . . . . . . . . . . A . 15 CYS C . . . . . . . . . c18964_2m3i 1 . 17 . 3253 . 1 1 15 CYS CA C 3.978 4.715 2.623 . . . 1.0 . . . . . . . . . . . . A . 15 CYS CA . . . . . . . . . c18964_2m3i 1 . 17 . 3254 . 1 1 15 CYS CB C 3.265 4.970 1.292 . . . 1.0 . . . . . . . . . . . . A . 15 CYS CB . . . . . . . . . c18964_2m3i 1 . 17 . 3255 . 1 1 15 CYS H H 4.904 2.893 2.027 . . . 1.0 . . . . . . . . . . . . A . 15 CYS H . . . . . . . . . c18964_2m3i 1 . 17 . 3256 . 1 1 15 CYS HA H 4.438 5.631 2.965 . . . 1.0 . . . . . . . . . . . . A . 15 CYS HA . . . . . . . . . c18964_2m3i 1 . 17 . 3257 . 1 1 15 CYS HB2 H 3.994 5.259 0.548 . . . 1.0 . . . . . . . . . . . . A . 15 CYS HB2 . . . . . . . . . c18964_2m3i 1 . 17 . 3258 . 1 1 15 CYS HB3 H 2.777 4.061 0.976 . . . 1.0 . . . . . . . . . . . . A . 15 CYS HB3 . . . . . . . . . c18964_2m3i 1 . 17 . 3259 . 1 1 15 CYS N N 5.016 3.747 2.491 . . . 1.0 . . . . . . . . . . . . A . 15 CYS N . . . . . . . . . c18964_2m3i 1 . 17 . 3260 . 1 1 15 CYS O O 2.930 4.823 4.778 . . . 1.0 . . . . . . . . . . . . A . 15 CYS O . . . . . . . . . c18964_2m3i 1 . 17 . 3261 . 1 1 15 CYS SG S 1.998 6.288 1.374 . . . 1.0 . . . . . . . . . . . . A . 15 CYS SG . . . . . . . . . c18964_2m3i 1 . 17 . 3262 . 1 1 16 NH2 HN1 H 2.333 2.776 2.520 . . . 1.0 . . . . . . . . . . . . A . 16 NH2 HN1 . . . . . . . . . c18964_2m3i 1 . 17 . 3263 . 1 1 16 NH2 HN2 H 1.597 2.901 4.077 . . . 1.0 . . . . . . . . . . . . A . 16 NH2 HN2 . . . . . . . . . c18964_2m3i 1 . 17 . 3264 . 1 1 16 NH2 N N 2.237 3.202 3.398 . . . 1.0 . . . . . . . . . . . . A . 16 NH2 N . . . . . . . . . c18964_2m3i 1 . 18 . 3265 . 1 1 1 GLY C C -4.029 4.032 -3.400 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c18964_2m3i 1 . 18 . 3266 . 1 1 1 GLY CA C -4.461 5.244 -4.185 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c18964_2m3i 1 . 18 . 3267 . 1 1 1 GLY H1 H -5.943 5.828 -2.875 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c18964_2m3i 1 . 18 . 3268 . 1 1 1 GLY H2 H -6.459 4.793 -4.070 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H2 . . . . . . . . . c18964_2m3i 1 . 18 . 3269 . 1 1 1 GLY H3 H -6.156 6.413 -4.447 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H3 . . . . . . . . . c18964_2m3i 1 . 18 . 3270 . 1 1 1 GLY HA2 H -4.387 5.017 -5.238 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c18964_2m3i 1 . 18 . 3271 . 1 1 1 GLY HA3 H -3.813 6.077 -3.954 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c18964_2m3i 1 . 18 . 3272 . 1 1 1 GLY N N -5.835 5.603 -3.884 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c18964_2m3i 1 . 18 . 3273 . 1 1 1 GLY O O -4.752 3.571 -2.516 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c18964_2m3i 1 . 18 . 3274 . 1 1 2 CYS C C -2.016 2.514 -1.611 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . c18964_2m3i 1 . 18 . 3275 . 1 1 2 CYS CA C -2.312 2.363 -3.070 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . c18964_2m3i 1 . 18 . 3276 . 1 1 2 CYS CB C -1.068 1.964 -3.772 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . c18964_2m3i 1 . 18 . 3277 . 1 1 2 CYS H H -2.232 4.000 -4.303 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . c18964_2m3i 1 . 18 . 3278 . 1 1 2 CYS HA H -3.028 1.567 -3.212 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . c18964_2m3i 1 . 18 . 3279 . 1 1 2 CYS HB2 H -0.518 2.869 -3.981 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . c18964_2m3i 1 . 18 . 3280 . 1 1 2 CYS HB3 H -0.504 1.357 -3.089 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . c18964_2m3i 1 . 18 . 3281 . 1 1 2 CYS N N -2.838 3.548 -3.675 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . c18964_2m3i 1 . 18 . 3282 . 1 1 2 CYS O O -2.163 1.567 -0.843 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . c18964_2m3i 1 . 18 . 3283 . 1 1 2 CYS SG S -1.336 1.077 -5.317 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . c18964_2m3i 1 . 18 . 3284 . 1 1 3 CYS C C -2.522 4.034 1.028 . . . 1.0 . . . . . . . . . . . . A . 3 CYS C . . . . . . . . . c18964_2m3i 1 . 18 . 3285 . 1 1 3 CYS CA C -1.272 3.971 0.147 . . . 1.0 . . . . . . . . . . . . A . 3 CYS CA . . . . . . . . . c18964_2m3i 1 . 18 . 3286 . 1 1 3 CYS CB C -0.486 5.276 0.206 . . . 1.0 . . . . . . . . . . . . A . 3 CYS CB . . . . . . . . . c18964_2m3i 1 . 18 . 3287 . 1 1 3 CYS H H -1.583 4.426 -1.867 . . . 1.0 . . . . . . . . . . . . A . 3 CYS H . . . . . . . . . c18964_2m3i 1 . 18 . 3288 . 1 1 3 CYS HA H -0.635 3.162 0.469 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HA . . . . . . . . . c18964_2m3i 1 . 18 . 3289 . 1 1 3 CYS HB2 H 0.226 5.271 -0.602 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HB2 . . . . . . . . . c18964_2m3i 1 . 18 . 3290 . 1 1 3 CYS HB3 H -1.173 6.095 0.049 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HB3 . . . . . . . . . c18964_2m3i 1 . 18 . 3291 . 1 1 3 CYS N N -1.640 3.693 -1.216 . . . 1.0 . . . . . . . . . . . . A . 3 CYS N . . . . . . . . . c18964_2m3i 1 . 18 . 3292 . 1 1 3 CYS O O -2.446 4.110 2.252 . . . 1.0 . . . . . . . . . . . . A . 3 CYS O . . . . . . . . . c18964_2m3i 1 . 18 . 3293 . 1 1 3 CYS SG S 0.394 5.582 1.772 . . . 1.0 . . . . . . . . . . . . A . 3 CYS SG . . . . . . . . . c18964_2m3i 1 . 18 . 3294 . 1 1 4 SER C C -5.694 2.687 0.798 . . . 1.0 . . . . . . . . . . . . A . 4 SER C . . . . . . . . . c18964_2m3i 1 . 18 . 3295 . 1 1 4 SER CA C -4.923 3.995 1.101 . . . 1.0 . . . . . . . . . . . . A . 4 SER CA . . . . . . . . . c18964_2m3i 1 . 18 . 3296 . 1 1 4 SER CB C -5.737 5.248 0.713 . . . 1.0 . . . . . . . . . . . . A . 4 SER CB . . . . . . . . . c18964_2m3i 1 . 18 . 3297 . 1 1 4 SER H H -3.621 3.997 -0.590 . . . 1.0 . . . . . . . . . . . . A . 4 SER H . . . . . . . . . c18964_2m3i 1 . 18 . 3298 . 1 1 4 SER HA H -4.701 4.026 2.158 . . . 1.0 . . . . . . . . . . . . A . 4 SER HA . . . . . . . . . c18964_2m3i 1 . 18 . 3299 . 1 1 4 SER HB2 H -5.106 6.119 0.805 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB2 . . . . . . . . . c18964_2m3i 1 . 18 . 3300 . 1 1 4 SER HB3 H -6.062 5.153 -0.312 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB3 . . . . . . . . . c18964_2m3i 1 . 18 . 3301 . 1 1 4 SER HG H -6.552 5.627 2.433 . . . 1.0 . . . . . . . . . . . . A . 4 SER HG . . . . . . . . . c18964_2m3i 1 . 18 . 3302 . 1 1 4 SER N N -3.663 3.995 0.394 . . . 1.0 . . . . . . . . . . . . A . 4 SER N . . . . . . . . . c18964_2m3i 1 . 18 . 3303 . 1 1 4 SER O O -6.846 2.504 1.212 . . . 1.0 . . . . . . . . . . . . A . 4 SER O . . . . . . . . . c18964_2m3i 1 . 18 . 3304 . 1 1 4 SER OG O -6.882 5.432 1.546 . . . 1.0 . . . . . . . . . . . . A . 4 SER OG . . . . . . . . . c18964_2m3i 1 . 18 . 3305 . 1 1 5 HIS C C -4.749 -0.638 0.303 . . . 1.0 . . . . . . . . . . . . A . 5 HIS C . . . . . . . . . c18964_2m3i 1 . 18 . 3306 . 1 1 5 HIS CA C -5.618 0.490 -0.249 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CA . . . . . . . . . c18964_2m3i 1 . 18 . 3307 . 1 1 5 HIS CB C -5.765 0.396 -1.783 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CB . . . . . . . . . c18964_2m3i 1 . 18 . 3308 . 1 1 5 HIS CD2 C -5.720 -1.988 -2.813 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CD2 . . . . . . . . . c18964_2m3i 1 . 18 . 3309 . 1 1 5 HIS CE1 C -7.841 -2.397 -2.889 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CE1 . . . . . . . . . c18964_2m3i 1 . 18 . 3310 . 1 1 5 HIS CG C -6.346 -0.898 -2.304 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CG . . . . . . . . . c18964_2m3i 1 . 18 . 3311 . 1 1 5 HIS H H -4.087 1.922 -0.119 . . . 1.0 . . . . . . . . . . . . A . 5 HIS H . . . . . . . . . c18964_2m3i 1 . 18 . 3312 . 1 1 5 HIS HA H -6.594 0.443 0.210 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HA . . . . . . . . . c18964_2m3i 1 . 18 . 3313 . 1 1 5 HIS HB2 H -6.415 1.195 -2.107 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB2 . . . . . . . . . c18964_2m3i 1 . 18 . 3314 . 1 1 5 HIS HB3 H -4.792 0.534 -2.230 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB3 . . . . . . . . . c18964_2m3i 1 . 18 . 3315 . 1 1 5 HIS HD1 H -8.440 -0.606 -2.075 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD1 . . . . . . . . . c18964_2m3i 1 . 18 . 3316 . 1 1 5 HIS HD2 H -4.654 -2.105 -2.937 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD2 . . . . . . . . . c18964_2m3i 1 . 18 . 3317 . 1 1 5 HIS HE1 H -8.794 -2.882 -3.052 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HE1 . . . . . . . . . c18964_2m3i 1 . 18 . 3318 . 1 1 5 HIS N N -5.025 1.763 0.122 . . . 1.0 . . . . . . . . . . . . A . 5 HIS N . . . . . . . . . c18964_2m3i 1 . 18 . 3319 . 1 1 5 HIS ND1 N -7.692 -1.179 -2.364 . . . 1.0 . . . . . . . . . . . . A . 5 HIS ND1 . . . . . . . . . c18964_2m3i 1 . 18 . 3320 . 1 1 5 HIS NE2 N -6.666 -2.931 -3.181 . . . 1.0 . . . . . . . . . . . . A . 5 HIS NE2 . . . . . . . . . c18964_2m3i 1 . 18 . 3321 . 1 1 5 HIS O O -3.668 -0.896 -0.228 . . . 1.0 . . . . . . . . . . . . A . 5 HIS O . . . . . . . . . c18964_2m3i 1 . 18 . 3322 . 1 1 6 PRO C C -3.599 -3.299 1.319 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . c18964_2m3i 1 . 18 . 3323 . 1 1 6 PRO CA C -4.493 -2.350 2.143 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . c18964_2m3i 1 . 18 . 3324 . 1 1 6 PRO CB C -5.612 -3.120 2.825 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . c18964_2m3i 1 . 18 . 3325 . 1 1 6 PRO CD C -6.583 -1.104 1.947 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . c18964_2m3i 1 . 18 . 3326 . 1 1 6 PRO CG C -6.648 -2.085 3.096 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . c18964_2m3i 1 . 18 . 3327 . 1 1 6 PRO HA H -3.881 -1.890 2.904 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . c18964_2m3i 1 . 18 . 3328 . 1 1 6 PRO HB2 H -5.972 -3.898 2.168 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB2 . . . . . . . . . c18964_2m3i 1 . 18 . 3329 . 1 1 6 PRO HB3 H -5.247 -3.559 3.740 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . c18964_2m3i 1 . 18 . 3330 . 1 1 6 PRO HD2 H -7.343 -1.325 1.213 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD2 . . . . . . . . . c18964_2m3i 1 . 18 . 3331 . 1 1 6 PRO HD3 H -6.692 -0.092 2.307 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . c18964_2m3i 1 . 18 . 3332 . 1 1 6 PRO HG2 H -7.623 -2.547 3.142 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG2 . . . . . . . . . c18964_2m3i 1 . 18 . 3333 . 1 1 6 PRO HG3 H -6.430 -1.584 4.027 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . c18964_2m3i 1 . 18 . 3334 . 1 1 6 PRO N N -5.230 -1.312 1.373 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . c18964_2m3i 1 . 18 . 3335 . 1 1 6 PRO O O -2.400 -3.442 1.620 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . c18964_2m3i 1 . 18 . 3336 . 1 1 7 VAL C C -2.214 -4.180 -1.268 . . . 1.0 . . . . . . . . . . . . A . 7 VAL C . . . . . . . . . c18964_2m3i 1 . 18 . 3337 . 1 1 7 VAL CA C -3.386 -4.865 -0.547 . . . 1.0 . . . . . . . . . . . . A . 7 VAL CA . . . . . . . . . c18964_2m3i 1 . 18 . 3338 . 1 1 7 VAL CB C -4.291 -5.623 -1.568 . . . 1.0 . . . . . . . . . . . . A . 7 VAL CB . . . . . . . . . c18964_2m3i 1 . 18 . 3339 . 1 1 7 VAL CG1 C -3.464 -6.511 -2.501 . . . 1.0 . . . . . . . . . . . . A . 7 VAL CG1 . . . . . . . . . c18964_2m3i 1 . 18 . 3340 . 1 1 7 VAL CG2 C -5.297 -6.477 -0.829 . . . 1.0 . . . . . . . . . . . . A . 7 VAL CG2 . . . . . . . . . c18964_2m3i 1 . 18 . 3341 . 1 1 7 VAL H H -5.102 -3.755 0.082 . . . 1.0 . . . . . . . . . . . . A . 7 VAL H . . . . . . . . . c18964_2m3i 1 . 18 . 3342 . 1 1 7 VAL HA H -2.963 -5.588 0.134 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HA . . . . . . . . . c18964_2m3i 1 . 18 . 3343 . 1 1 7 VAL HB H -4.831 -4.899 -2.160 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HB . . . . . . . . . c18964_2m3i 1 . 18 . 3344 . 1 1 7 VAL HG11 H -2.760 -5.901 -3.048 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG11 . . . . . . . . . c18964_2m3i 1 . 18 . 3345 . 1 1 7 VAL HG12 H -4.119 -7.015 -3.196 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG12 . . . . . . . . . c18964_2m3i 1 . 18 . 3346 . 1 1 7 VAL HG13 H -2.928 -7.245 -1.916 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG13 . . . . . . . . . c18964_2m3i 1 . 18 . 3347 . 1 1 7 VAL HG21 H -4.773 -7.221 -0.248 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG21 . . . . . . . . . c18964_2m3i 1 . 18 . 3348 . 1 1 7 VAL HG22 H -5.951 -6.966 -1.535 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG22 . . . . . . . . . c18964_2m3i 1 . 18 . 3349 . 1 1 7 VAL HG23 H -5.876 -5.855 -0.164 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG23 . . . . . . . . . c18964_2m3i 1 . 18 . 3350 . 1 1 7 VAL N N -4.154 -3.921 0.281 . . . 1.0 . . . . . . . . . . . . A . 7 VAL N . . . . . . . . . c18964_2m3i 1 . 18 . 3351 . 1 1 7 VAL O O -1.106 -4.716 -1.317 . . . 1.0 . . . . . . . . . . . . A . 7 VAL O . . . . . . . . . c18964_2m3i 1 . 18 . 3352 . 1 1 8 CYS C C -0.455 -1.573 -1.517 . . . 1.0 . . . . . . . . . . . . A . 8 CYS C . . . . . . . . . c18964_2m3i 1 . 18 . 3353 . 1 1 8 CYS CA C -1.388 -2.294 -2.496 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CA . . . . . . . . . c18964_2m3i 1 . 18 . 3354 . 1 1 8 CYS CB C -1.972 -1.333 -3.536 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CB . . . . . . . . . c18964_2m3i 1 . 18 . 3355 . 1 1 8 CYS H H -3.289 -2.535 -1.586 . . . 1.0 . . . . . . . . . . . . A . 8 CYS H . . . . . . . . . c18964_2m3i 1 . 18 . 3356 . 1 1 8 CYS HA H -0.810 -3.059 -2.994 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HA . . . . . . . . . c18964_2m3i 1 . 18 . 3357 . 1 1 8 CYS HB2 H -2.811 -1.803 -4.027 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB2 . . . . . . . . . c18964_2m3i 1 . 18 . 3358 . 1 1 8 CYS HB3 H -2.306 -0.452 -3.008 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB3 . . . . . . . . . c18964_2m3i 1 . 18 . 3359 . 1 1 8 CYS N N -2.431 -2.977 -1.755 . . . 1.0 . . . . . . . . . . . . A . 8 CYS N . . . . . . . . . c18964_2m3i 1 . 18 . 3360 . 1 1 8 CYS O O 0.695 -1.279 -1.831 . . . 1.0 . . . . . . . . . . . . A . 8 CYS O . . . . . . . . . c18964_2m3i 1 . 18 . 3361 . 1 1 8 CYS SG S -0.778 -0.808 -4.826 . . . 1.0 . . . . . . . . . . . . A . 8 CYS SG . . . . . . . . . c18964_2m3i 1 . 18 . 3362 . 1 1 9 SER C C 0.974 -1.748 1.186 . . . 1.0 . . . . . . . . . . . . A . 9 SER C . . . . . . . . . c18964_2m3i 1 . 18 . 3363 . 1 1 9 SER CA C -0.138 -0.776 0.767 . . . 1.0 . . . . . . . . . . . . A . 9 SER CA . . . . . . . . . c18964_2m3i 1 . 18 . 3364 . 1 1 9 SER CB C -1.000 -0.417 1.976 . . . 1.0 . . . . . . . . . . . . A . 9 SER CB . . . . . . . . . c18964_2m3i 1 . 18 . 3365 . 1 1 9 SER H H -1.892 -1.514 -0.124 . . . 1.0 . . . . . . . . . . . . A . 9 SER H . . . . . . . . . c18964_2m3i 1 . 18 . 3366 . 1 1 9 SER HA H 0.282 0.128 0.359 . . . 1.0 . . . . . . . . . . . . A . 9 SER HA . . . . . . . . . c18964_2m3i 1 . 18 . 3367 . 1 1 9 SER HB2 H -1.522 -1.299 2.319 . . . 1.0 . . . . . . . . . . . . A . 9 SER HB2 . . . . . . . . . c18964_2m3i 1 . 18 . 3368 . 1 1 9 SER HB3 H -0.367 -0.044 2.767 . . . 1.0 . . . . . . . . . . . . A . 9 SER HB3 . . . . . . . . . c18964_2m3i 1 . 18 . 3369 . 1 1 9 SER HG H -2.026 0.638 0.686 . . . 1.0 . . . . . . . . . . . . A . 9 SER HG . . . . . . . . . c18964_2m3i 1 . 18 . 3370 . 1 1 9 SER N N -0.943 -1.340 -0.299 . . . 1.0 . . . . . . . . . . . . A . 9 SER N . . . . . . . . . c18964_2m3i 1 . 18 . 3371 . 1 1 9 SER O O 1.895 -1.381 1.895 . . . 1.0 . . . . . . . . . . . . A . 9 SER O . . . . . . . . . c18964_2m3i 1 . 18 . 3372 . 1 1 9 SER OG O -1.956 0.579 1.650 . . . 1.0 . . . . . . . . . . . . A . 9 SER OG . . . . . . . . . c18964_2m3i 1 . 18 . 3373 . 1 1 10 ALA C C 3.079 -3.756 0.087 . . . 1.0 . . . . . . . . . . . . A . 10 ALA C . . . . . . . . . c18964_2m3i 1 . 18 . 3374 . 1 1 10 ALA CA C 1.889 -3.979 1.013 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CA . . . . . . . . . c18964_2m3i 1 . 18 . 3375 . 1 1 10 ALA CB C 1.330 -5.376 0.833 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CB . . . . . . . . . c18964_2m3i 1 . 18 . 3376 . 1 1 10 ALA H H 0.062 -3.253 0.250 . . . 1.0 . . . . . . . . . . . . A . 10 ALA H . . . . . . . . . c18964_2m3i 1 . 18 . 3377 . 1 1 10 ALA HA H 2.219 -3.863 2.035 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HA . . . . . . . . . c18964_2m3i 1 . 18 . 3378 . 1 1 10 ALA HB1 H 0.487 -5.517 1.493 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB1 . . . . . . . . . c18964_2m3i 1 . 18 . 3379 . 1 1 10 ALA HB2 H 2.096 -6.102 1.065 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB2 . . . . . . . . . c18964_2m3i 1 . 18 . 3380 . 1 1 10 ALA HB3 H 1.011 -5.505 -0.191 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB3 . . . . . . . . . c18964_2m3i 1 . 18 . 3381 . 1 1 10 ALA N N 0.865 -2.991 0.749 . . . 1.0 . . . . . . . . . . . . A . 10 ALA N . . . . . . . . . c18964_2m3i 1 . 18 . 3382 . 1 1 10 ALA O O 4.190 -4.182 0.377 . . . 1.0 . . . . . . . . . . . . A . 10 ALA O . . . . . . . . . c18964_2m3i 1 . 18 . 3383 . 1 1 11 MET C C 4.803 -1.712 -1.461 . . . 1.0 . . . . . . . . . . . . A . 11 MET C . . . . . . . . . c18964_2m3i 1 . 18 . 3384 . 1 1 11 MET CA C 3.899 -2.787 -1.989 . . . 1.0 . . . . . . . . . . . . A . 11 MET CA . . . . . . . . . c18964_2m3i 1 . 18 . 3385 . 1 1 11 MET CB C 3.330 -2.428 -3.368 . . . 1.0 . . . . . . . . . . . . A . 11 MET CB . . . . . . . . . c18964_2m3i 1 . 18 . 3386 . 1 1 11 MET CE C 1.814 -6.151 -4.486 . . . 1.0 . . . . . . . . . . . . A . 11 MET CE . . . . . . . . . c18964_2m3i 1 . 18 . 3387 . 1 1 11 MET CG C 2.406 -3.498 -3.928 . . . 1.0 . . . . . . . . . . . . A . 11 MET CG . . . . . . . . . c18964_2m3i 1 . 18 . 3388 . 1 1 11 MET H H 1.945 -2.693 -1.174 . . . 1.0 . . . . . . . . . . . . A . 11 MET H . . . . . . . . . c18964_2m3i 1 . 18 . 3389 . 1 1 11 MET HA H 4.486 -3.684 -2.060 . . . 1.0 . . . . . . . . . . . . A . 11 MET HA . . . . . . . . . c18964_2m3i 1 . 18 . 3390 . 1 1 11 MET HB2 H 2.776 -1.504 -3.286 . . . 1.0 . . . . . . . . . . . . A . 11 MET HB2 . . . . . . . . . c18964_2m3i 1 . 18 . 3391 . 1 1 11 MET HB3 H 4.148 -2.288 -4.059 . . . 1.0 . . . . . . . . . . . . A . 11 MET HB3 . . . . . . . . . c18964_2m3i 1 . 18 . 3392 . 1 1 11 MET HE1 H 1.065 -6.086 -3.711 . . . 1.0 . . . . . . . . . . . . A . 11 MET HE1 . . . . . . . . . c18964_2m3i 1 . 18 . 3393 . 1 1 11 MET HE2 H 2.145 -7.175 -4.577 . . . 1.0 . . . . . . . . . . . . A . 11 MET HE2 . . . . . . . . . c18964_2m3i 1 . 18 . 3394 . 1 1 11 MET HE3 H 1.392 -5.830 -5.426 . . . 1.0 . . . . . . . . . . . . A . 11 MET HE3 . . . . . . . . . c18964_2m3i 1 . 18 . 3395 . 1 1 11 MET HG2 H 1.550 -3.591 -3.276 . . . 1.0 . . . . . . . . . . . . A . 11 MET HG2 . . . . . . . . . c18964_2m3i 1 . 18 . 3396 . 1 1 11 MET HG3 H 2.077 -3.194 -4.911 . . . 1.0 . . . . . . . . . . . . A . 11 MET HG3 . . . . . . . . . c18964_2m3i 1 . 18 . 3397 . 1 1 11 MET N N 2.844 -3.052 -1.017 . . . 1.0 . . . . . . . . . . . . A . 11 MET N . . . . . . . . . c18964_2m3i 1 . 18 . 3398 . 1 1 11 MET O O 6.024 -1.734 -1.660 . . . 1.0 . . . . . . . . . . . . A . 11 MET O . . . . . . . . . c18964_2m3i 1 . 18 . 3399 . 1 1 11 MET SD S 3.210 -5.109 -4.057 . . . 1.0 . . . . . . . . . . . . A . 11 MET SD . . . . . . . . . c18964_2m3i 1 . 18 . 3400 . 1 1 12 SER C C 4.491 0.243 1.378 . . . 1.0 . . . . . . . . . . . . A . 12 SER C . . . . . . . . . c18964_2m3i 1 . 18 . 3401 . 1 1 12 SER CA C 4.924 0.216 -0.077 . . . 1.0 . . . . . . . . . . . . A . 12 SER CA . . . . . . . . . c18964_2m3i 1 . 18 . 3402 . 1 1 12 SER CB C 4.684 1.578 -0.696 . . . 1.0 . . . . . . . . . . . . A . 12 SER CB . . . . . . . . . c18964_2m3i 1 . 18 . 3403 . 1 1 12 SER H H 3.235 -0.829 -0.740 . . . 1.0 . . . . . . . . . . . . A . 12 SER H . . . . . . . . . c18964_2m3i 1 . 18 . 3404 . 1 1 12 SER HA H 5.976 -0.016 -0.134 . . . 1.0 . . . . . . . . . . . . A . 12 SER HA . . . . . . . . . c18964_2m3i 1 . 18 . 3405 . 1 1 12 SER HB2 H 4.812 1.507 -1.762 . . . 1.0 . . . . . . . . . . . . A . 12 SER HB2 . . . . . . . . . c18964_2m3i 1 . 18 . 3406 . 1 1 12 SER HB3 H 3.664 1.843 -0.465 . . . 1.0 . . . . . . . . . . . . A . 12 SER HB3 . . . . . . . . . c18964_2m3i 1 . 18 . 3407 . 1 1 12 SER HG H 6.217 2.797 -0.761 . . . 1.0 . . . . . . . . . . . . A . 12 SER HG . . . . . . . . . c18964_2m3i 1 . 18 . 3408 . 1 1 12 SER N N 4.209 -0.801 -0.766 . . . 1.0 . . . . . . . . . . . . A . 12 SER N . . . . . . . . . c18964_2m3i 1 . 18 . 3409 . 1 1 12 SER O O 3.574 0.993 1.749 . . . 1.0 . . . . . . . . . . . . A . 12 SER O . . . . . . . . . c18964_2m3i 1 . 18 . 3410 . 1 1 12 SER OG O 5.537 2.563 -0.118 . . . 1.0 . . . . . . . . . . . . A . 12 SER OG . . . . . . . . . c18964_2m3i 1 . 18 . 3411 . 1 1 13 PRO C C 5.421 0.662 4.320 . . . 1.0 . . . . . . . . . . . . A . 13 PRO C . . . . . . . . . c18964_2m3i 1 . 18 . 3412 . 1 1 13 PRO CA C 4.810 -0.569 3.669 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CA . . . . . . . . . c18964_2m3i 1 . 18 . 3413 . 1 1 13 PRO CB C 5.450 -1.853 4.200 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CB . . . . . . . . . c18964_2m3i 1 . 18 . 3414 . 1 1 13 PRO CD C 6.135 -1.601 1.901 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CD . . . . . . . . . c18964_2m3i 1 . 18 . 3415 . 1 1 13 PRO CG C 6.531 -2.190 3.229 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CG . . . . . . . . . c18964_2m3i 1 . 18 . 3416 . 1 1 13 PRO HA H 3.744 -0.572 3.838 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HA . . . . . . . . . c18964_2m3i 1 . 18 . 3417 . 1 1 13 PRO HB2 H 5.847 -1.673 5.189 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HB2 . . . . . . . . . c18964_2m3i 1 . 18 . 3418 . 1 1 13 PRO HB3 H 4.707 -2.634 4.246 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HB3 . . . . . . . . . c18964_2m3i 1 . 18 . 3419 . 1 1 13 PRO HD2 H 6.989 -1.138 1.433 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HD2 . . . . . . . . . c18964_2m3i 1 . 18 . 3420 . 1 1 13 PRO HD3 H 5.717 -2.360 1.256 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HD3 . . . . . . . . . c18964_2m3i 1 . 18 . 3421 . 1 1 13 PRO HG2 H 7.467 -1.764 3.560 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HG2 . . . . . . . . . c18964_2m3i 1 . 18 . 3422 . 1 1 13 PRO HG3 H 6.618 -3.263 3.148 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HG3 . . . . . . . . . c18964_2m3i 1 . 18 . 3423 . 1 1 13 PRO N N 5.114 -0.583 2.243 . . . 1.0 . . . . . . . . . . . . A . 13 PRO N . . . . . . . . . c18964_2m3i 1 . 18 . 3424 . 1 1 13 PRO O O 5.180 0.968 5.491 . . . 1.0 . . . . . . . . . . . . A . 13 PRO O . . . . . . . . . c18964_2m3i 1 . 18 . 3425 . 1 1 14 ILE C C 5.862 3.752 3.825 . . . 1.0 . . . . . . . . . . . . A . 14 ILE C . . . . . . . . . c18964_2m3i 1 . 18 . 3426 . 1 1 14 ILE CA C 6.844 2.590 3.922 . . . 1.0 . . . . . . . . . . . . A . 14 ILE CA . . . . . . . . . c18964_2m3i 1 . 18 . 3427 . 1 1 14 ILE CB C 8.103 2.828 3.047 . . . 1.0 . . . . . . . . . . . . A . 14 ILE CB . . . . . . . . . c18964_2m3i 1 . 18 . 3428 . 1 1 14 ILE CD1 C 10.171 1.621 2.106 . . . 1.0 . . . . . . . . . . . . A . 14 ILE CD1 . . . . . . . . . c18964_2m3i 1 . 18 . 3429 . 1 1 14 ILE CG1 C 8.969 1.551 3.024 . . . 1.0 . . . . . . . . . . . . A . 14 ILE CG1 . . . . . . . . . c18964_2m3i 1 . 18 . 3430 . 1 1 14 ILE CG2 C 8.919 4.012 3.571 . . . 1.0 . . . . . . . . . . . . A . 14 ILE CG2 . . . . . . . . . c18964_2m3i 1 . 18 . 3431 . 1 1 14 ILE H H 6.241 1.111 2.573 . . . 1.0 . . . . . . . . . . . . A . 14 ILE H . . . . . . . . . c18964_2m3i 1 . 18 . 3432 . 1 1 14 ILE HA H 7.125 2.436 4.944 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HA . . . . . . . . . c18964_2m3i 1 . 18 . 3433 . 1 1 14 ILE HB H 7.777 3.039 2.041 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HB . . . . . . . . . c18964_2m3i 1 . 18 . 3434 . 1 1 14 ILE HD11 H 9.842 1.785 1.091 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HD11 . . . . . . . . . c18964_2m3i 1 . 18 . 3435 . 1 1 14 ILE HD12 H 10.722 0.694 2.163 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HD12 . . . . . . . . . c18964_2m3i 1 . 18 . 3436 . 1 1 14 ILE HD13 H 10.804 2.438 2.415 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HD13 . . . . . . . . . c18964_2m3i 1 . 18 . 3437 . 1 1 14 ILE HG12 H 9.337 1.356 4.021 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HG12 . . . . . . . . . c18964_2m3i 1 . 18 . 3438 . 1 1 14 ILE HG13 H 8.355 0.719 2.710 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HG13 . . . . . . . . . c18964_2m3i 1 . 18 . 3439 . 1 1 14 ILE HG21 H 9.794 4.148 2.953 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HG21 . . . . . . . . . c18964_2m3i 1 . 18 . 3440 . 1 1 14 ILE HG22 H 9.227 3.817 4.587 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HG22 . . . . . . . . . c18964_2m3i 1 . 18 . 3441 . 1 1 14 ILE HG23 H 8.315 4.908 3.544 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HG23 . . . . . . . . . c18964_2m3i 1 . 18 . 3442 . 1 1 14 ILE N N 6.166 1.398 3.507 . . . 1.0 . . . . . . . . . . . . A . 14 ILE N . . . . . . . . . c18964_2m3i 1 . 18 . 3443 . 1 1 14 ILE O O 6.056 4.837 4.379 . . . 1.0 . . . . . . . . . . . . A . 14 ILE O . . . . . . . . . c18964_2m3i 1 . 18 . 3444 . 1 1 15 CYS C C 2.586 3.953 3.888 . . . 1.0 . . . . . . . . . . . . A . 15 CYS C . . . . . . . . . c18964_2m3i 1 . 18 . 3445 . 1 1 15 CYS CA C 3.734 4.434 3.004 . . . 1.0 . . . . . . . . . . . . A . 15 CYS CA . . . . . . . . . c18964_2m3i 1 . 18 . 3446 . 1 1 15 CYS CB C 3.296 4.581 1.533 . . . 1.0 . . . . . . . . . . . . A . 15 CYS CB . . . . . . . . . c18964_2m3i 1 . 18 . 3447 . 1 1 15 CYS H H 4.749 2.598 2.753 . . . 1.0 . . . . . . . . . . . . A . 15 CYS H . . . . . . . . . c18964_2m3i 1 . 18 . 3448 . 1 1 15 CYS HA H 4.086 5.383 3.384 . . . 1.0 . . . . . . . . . . . . A . 15 CYS HA . . . . . . . . . c18964_2m3i 1 . 18 . 3449 . 1 1 15 CYS HB2 H 4.172 4.627 0.905 . . . 1.0 . . . . . . . . . . . . A . 15 CYS HB2 . . . . . . . . . c18964_2m3i 1 . 18 . 3450 . 1 1 15 CYS HB3 H 2.716 3.715 1.252 . . . 1.0 . . . . . . . . . . . . A . 15 CYS HB3 . . . . . . . . . c18964_2m3i 1 . 18 . 3451 . 1 1 15 CYS N N 4.801 3.492 3.145 . . . 1.0 . . . . . . . . . . . . A . 15 CYS N . . . . . . . . . c18964_2m3i 1 . 18 . 3452 . 1 1 15 CYS O O 2.412 4.434 5.004 . . . 1.0 . . . . . . . . . . . . A . 15 CYS O . . . . . . . . . c18964_2m3i 1 . 18 . 3453 . 1 1 15 CYS SG S 2.280 6.068 1.189 . . . 1.0 . . . . . . . . . . . . A . 15 CYS SG . . . . . . . . . c18964_2m3i 1 . 18 . 3454 . 1 1 16 NH2 HN1 H 2.025 2.609 2.532 . . . 1.0 . . . . . . . . . . . . A . 16 NH2 HN1 . . . . . . . . . c18964_2m3i 1 . 18 . 3455 . 1 1 16 NH2 HN2 H 1.144 2.617 4.019 . . . 1.0 . . . . . . . . . . . . A . 16 NH2 HN2 . . . . . . . . . c18964_2m3i 1 . 18 . 3456 . 1 1 16 NH2 N N 1.847 2.961 3.430 . . . 1.0 . . . . . . . . . . . . A . 16 NH2 N . . . . . . . . . c18964_2m3i 1 . 19 . 3457 . 1 1 1 GLY C C -4.736 4.158 -3.164 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c18964_2m3i 1 . 19 . 3458 . 1 1 1 GLY CA C -5.420 5.405 -3.625 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c18964_2m3i 1 . 19 . 3459 . 1 1 1 GLY H1 H -7.222 4.490 -3.830 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c18964_2m3i 1 . 19 . 3460 . 1 1 1 GLY H2 H -6.300 4.464 -5.228 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H2 . . . . . . . . . c18964_2m3i 1 . 19 . 3461 . 1 1 1 GLY H3 H -7.093 5.900 -4.752 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H3 . . . . . . . . . c18964_2m3i 1 . 19 . 3462 . 1 1 1 GLY HA2 H -4.733 5.988 -4.218 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c18964_2m3i 1 . 19 . 3463 . 1 1 1 GLY HA3 H -5.738 5.983 -2.769 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c18964_2m3i 1 . 19 . 3464 . 1 1 1 GLY N N -6.586 5.057 -4.425 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c18964_2m3i 1 . 19 . 3465 . 1 1 1 GLY O O -5.356 3.324 -2.534 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c18964_2m3i 1 . 19 . 3466 . 1 1 2 CYS C C -2.218 2.845 -1.708 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . c18964_2m3i 1 . 19 . 3467 . 1 1 2 CYS CA C -2.739 2.832 -3.130 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . c18964_2m3i 1 . 19 . 3468 . 1 1 2 CYS CB C -1.620 2.595 -4.102 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . c18964_2m3i 1 . 19 . 3469 . 1 1 2 CYS H H -2.990 4.720 -3.960 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . c18964_2m3i 1 . 19 . 3470 . 1 1 2 CYS HA H -3.428 2.005 -3.220 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . c18964_2m3i 1 . 19 . 3471 . 1 1 2 CYS HB2 H -1.397 3.552 -4.550 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . c18964_2m3i 1 . 19 . 3472 . 1 1 2 CYS HB3 H -0.770 2.267 -3.531 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . c18964_2m3i 1 . 19 . 3473 . 1 1 2 CYS N N -3.474 4.012 -3.478 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . c18964_2m3i 1 . 19 . 3474 . 1 1 2 CYS O O -2.253 1.823 -1.023 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . c18964_2m3i 1 . 19 . 3475 . 1 1 2 CYS SG S -2.003 1.381 -5.430 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . c18964_2m3i 1 . 19 . 3476 . 1 1 3 CYS C C -2.398 3.943 1.113 . . . 1.0 . . . . . . . . . . . . A . 3 CYS C . . . . . . . . . c18964_2m3i 1 . 19 . 3477 . 1 1 3 CYS CA C -1.261 4.107 0.113 . . . 1.0 . . . . . . . . . . . . A . 3 CYS CA . . . . . . . . . c18964_2m3i 1 . 19 . 3478 . 1 1 3 CYS CB C -0.588 5.451 0.289 . . . 1.0 . . . . . . . . . . . . A . 3 CYS CB . . . . . . . . . c18964_2m3i 1 . 19 . 3479 . 1 1 3 CYS H H -1.733 4.779 -1.814 . . . 1.0 . . . . . . . . . . . . A . 3 CYS H . . . . . . . . . c18964_2m3i 1 . 19 . 3480 . 1 1 3 CYS HA H -0.534 3.324 0.257 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HA . . . . . . . . . c18964_2m3i 1 . 19 . 3481 . 1 1 3 CYS HB2 H -1.313 6.237 0.146 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HB2 . . . . . . . . . c18964_2m3i 1 . 19 . 3482 . 1 1 3 CYS HB3 H -0.205 5.498 1.296 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HB3 . . . . . . . . . c18964_2m3i 1 . 19 . 3483 . 1 1 3 CYS N N -1.764 3.983 -1.244 . . . 1.0 . . . . . . . . . . . . A . 3 CYS N . . . . . . . . . c18964_2m3i 1 . 19 . 3484 . 1 1 3 CYS O O -2.189 3.704 2.308 . . . 1.0 . . . . . . . . . . . . A . 3 CYS O . . . . . . . . . c18964_2m3i 1 . 19 . 3485 . 1 1 3 CYS SG S 0.796 5.743 -0.861 . . . 1.0 . . . . . . . . . . . . A . 3 CYS SG . . . . . . . . . c18964_2m3i 1 . 19 . 3486 . 1 1 4 SER C C -5.510 2.580 0.958 . . . 1.0 . . . . . . . . . . . . A . 4 SER C . . . . . . . . . c18964_2m3i 1 . 19 . 3487 . 1 1 4 SER CA C -4.792 3.884 1.358 . . . 1.0 . . . . . . . . . . . . A . 4 SER CA . . . . . . . . . c18964_2m3i 1 . 19 . 3488 . 1 1 4 SER CB C -5.671 5.105 1.146 . . . 1.0 . . . . . . . . . . . . A . 4 SER CB . . . . . . . . . c18964_2m3i 1 . 19 . 3489 . 1 1 4 SER H H -3.661 4.273 -0.351 . . . 1.0 . . . . . . . . . . . . A . 4 SER H . . . . . . . . . c18964_2m3i 1 . 19 . 3490 . 1 1 4 SER HA H -4.519 3.833 2.400 . . . 1.0 . . . . . . . . . . . . A . 4 SER HA . . . . . . . . . c18964_2m3i 1 . 19 . 3491 . 1 1 4 SER HB2 H -6.674 4.891 1.483 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB2 . . . . . . . . . c18964_2m3i 1 . 19 . 3492 . 1 1 4 SER HB3 H -5.267 5.931 1.713 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB3 . . . . . . . . . c18964_2m3i 1 . 19 . 3493 . 1 1 4 SER HG H -6.002 6.395 -0.235 . . . 1.0 . . . . . . . . . . . . A . 4 SER HG . . . . . . . . . c18964_2m3i 1 . 19 . 3494 . 1 1 4 SER N N -3.590 4.054 0.604 . . . 1.0 . . . . . . . . . . . . A . 4 SER N . . . . . . . . . c18964_2m3i 1 . 19 . 3495 . 1 1 4 SER O O -6.701 2.386 1.249 . . . 1.0 . . . . . . . . . . . . A . 4 SER O . . . . . . . . . c18964_2m3i 1 . 19 . 3496 . 1 1 4 SER OG O -5.714 5.474 -0.227 . . . 1.0 . . . . . . . . . . . . A . 4 SER OG . . . . . . . . . c18964_2m3i 1 . 19 . 3497 . 1 1 5 HIS C C -4.487 -0.736 0.445 . . . 1.0 . . . . . . . . . . . . A . 5 HIS C . . . . . . . . . c18964_2m3i 1 . 19 . 3498 . 1 1 5 HIS CA C -5.325 0.407 -0.105 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CA . . . . . . . . . c18964_2m3i 1 . 19 . 3499 . 1 1 5 HIS CB C -5.353 0.384 -1.644 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CB . . . . . . . . . c18964_2m3i 1 . 19 . 3500 . 1 1 5 HIS CD2 C -5.195 -1.781 -3.028 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CD2 . . . . . . . . . c18964_2m3i 1 . 19 . 3501 . 1 1 5 HIS CE1 C -7.192 -2.545 -2.741 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CE1 . . . . . . . . . c18964_2m3i 1 . 19 . 3502 . 1 1 5 HIS CG C -5.847 -0.888 -2.258 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CG . . . . . . . . . c18964_2m3i 1 . 19 . 3503 . 1 1 5 HIS H H -3.805 1.799 0.213 . . . 1.0 . . . . . . . . . . . . A . 5 HIS H . . . . . . . . . c18964_2m3i 1 . 19 . 3504 . 1 1 5 HIS HA H -6.335 0.336 0.270 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HA . . . . . . . . . c18964_2m3i 1 . 19 . 3505 . 1 1 5 HIS HB2 H -5.980 1.190 -1.994 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB2 . . . . . . . . . c18964_2m3i 1 . 19 . 3506 . 1 1 5 HIS HB3 H -4.347 0.555 -1.998 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB3 . . . . . . . . . c18964_2m3i 1 . 19 . 3507 . 1 1 5 HIS HD1 H -7.853 -0.960 -1.601 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD1 . . . . . . . . . c18964_2m3i 1 . 19 . 3508 . 1 1 5 HIS HD2 H -4.179 -1.683 -3.385 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD2 . . . . . . . . . c18964_2m3i 1 . 19 . 3509 . 1 1 5 HIS HE1 H -8.073 -3.168 -2.777 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HE1 . . . . . . . . . c18964_2m3i 1 . 19 . 3510 . 1 1 5 HIS N N -4.771 1.661 0.354 . . . 1.0 . . . . . . . . . . . . A . 5 HIS N . . . . . . . . . c18964_2m3i 1 . 19 . 3511 . 1 1 5 HIS ND1 N -7.114 -1.386 -2.092 . . . 1.0 . . . . . . . . . . . . A . 5 HIS ND1 . . . . . . . . . c18964_2m3i 1 . 19 . 3512 . 1 1 5 HIS NE2 N -6.046 -2.831 -3.330 . . . 1.0 . . . . . . . . . . . . A . 5 HIS NE2 . . . . . . . . . c18964_2m3i 1 . 19 . 3513 . 1 1 5 HIS O O -3.278 -0.739 0.256 . . . 1.0 . . . . . . . . . . . . A . 5 HIS O . . . . . . . . . c18964_2m3i 1 . 19 . 3514 . 1 1 6 PRO C C -3.372 -3.532 0.889 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . c18964_2m3i 1 . 19 . 3515 . 1 1 6 PRO CA C -4.431 -2.856 1.766 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . c18964_2m3i 1 . 19 . 3516 . 1 1 6 PRO CB C -5.566 -3.834 2.069 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . c18964_2m3i 1 . 19 . 3517 . 1 1 6 PRO CD C -6.592 -1.837 1.276 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . c18964_2m3i 1 . 19 . 3518 . 1 1 6 PRO CG C -6.755 -2.965 2.252 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . c18964_2m3i 1 . 19 . 3519 . 1 1 6 PRO HA H -3.978 -2.540 2.693 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . c18964_2m3i 1 . 19 . 3520 . 1 1 6 PRO HB2 H -5.689 -4.511 1.236 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB2 . . . . . . . . . c18964_2m3i 1 . 19 . 3521 . 1 1 6 PRO HB3 H -5.344 -4.394 2.966 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . c18964_2m3i 1 . 19 . 3522 . 1 1 6 PRO HD2 H -7.072 -2.076 0.339 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD2 . . . . . . . . . c18964_2m3i 1 . 19 . 3523 . 1 1 6 PRO HD3 H -7.002 -0.929 1.692 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . c18964_2m3i 1 . 19 . 3524 . 1 1 6 PRO HG2 H -7.658 -3.520 2.039 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG2 . . . . . . . . . c18964_2m3i 1 . 19 . 3525 . 1 1 6 PRO HG3 H -6.781 -2.584 3.262 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . c18964_2m3i 1 . 19 . 3526 . 1 1 6 PRO N N -5.125 -1.729 1.108 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . c18964_2m3i 1 . 19 . 3527 . 1 1 6 PRO O O -2.245 -3.763 1.329 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . c18964_2m3i 1 . 19 . 3528 . 1 1 7 VAL C C -1.599 -3.631 -1.602 . . . 1.0 . . . . . . . . . . . . A . 7 VAL C . . . . . . . . . c18964_2m3i 1 . 19 . 3529 . 1 1 7 VAL CA C -2.827 -4.487 -1.271 . . . 1.0 . . . . . . . . . . . . A . 7 VAL CA . . . . . . . . . c18964_2m3i 1 . 19 . 3530 . 1 1 7 VAL CB C -3.551 -4.913 -2.573 . . . 1.0 . . . . . . . . . . . . A . 7 VAL CB . . . . . . . . . c18964_2m3i 1 . 19 . 3531 . 1 1 7 VAL CG1 C -2.601 -5.626 -3.516 . . . 1.0 . . . . . . . . . . . . A . 7 VAL CG1 . . . . . . . . . c18964_2m3i 1 . 19 . 3532 . 1 1 7 VAL CG2 C -4.739 -5.803 -2.253 . . . 1.0 . . . . . . . . . . . . A . 7 VAL CG2 . . . . . . . . . c18964_2m3i 1 . 19 . 3533 . 1 1 7 VAL H H -4.617 -3.539 -0.661 . . . 1.0 . . . . . . . . . . . . A . 7 VAL H . . . . . . . . . c18964_2m3i 1 . 19 . 3534 . 1 1 7 VAL HA H -2.480 -5.376 -0.766 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HA . . . . . . . . . c18964_2m3i 1 . 19 . 3535 . 1 1 7 VAL HB H -3.918 -4.024 -3.064 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HB . . . . . . . . . c18964_2m3i 1 . 19 . 3536 . 1 1 7 VAL HG11 H -1.778 -4.969 -3.754 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG11 . . . . . . . . . c18964_2m3i 1 . 19 . 3537 . 1 1 7 VAL HG12 H -3.127 -5.888 -4.423 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG12 . . . . . . . . . c18964_2m3i 1 . 19 . 3538 . 1 1 7 VAL HG13 H -2.224 -6.521 -3.044 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG13 . . . . . . . . . c18964_2m3i 1 . 19 . 3539 . 1 1 7 VAL HG21 H -5.425 -5.266 -1.615 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG21 . . . . . . . . . c18964_2m3i 1 . 19 . 3540 . 1 1 7 VAL HG22 H -4.399 -6.695 -1.748 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG22 . . . . . . . . . c18964_2m3i 1 . 19 . 3541 . 1 1 7 VAL HG23 H -5.241 -6.078 -3.168 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG23 . . . . . . . . . c18964_2m3i 1 . 19 . 3542 . 1 1 7 VAL N N -3.723 -3.803 -0.354 . . . 1.0 . . . . . . . . . . . . A . 7 VAL N . . . . . . . . . c18964_2m3i 1 . 19 . 3543 . 1 1 7 VAL O O -0.457 -4.095 -1.479 . . . 1.0 . . . . . . . . . . . . A . 7 VAL O . . . . . . . . . c18964_2m3i 1 . 19 . 3544 . 1 1 8 CYS C C 0.109 -1.145 -1.113 . . . 1.0 . . . . . . . . . . . . A . 8 CYS C . . . . . . . . . c18964_2m3i 1 . 19 . 3545 . 1 1 8 CYS CA C -0.696 -1.519 -2.340 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CA . . . . . . . . . c18964_2m3i 1 . 19 . 3546 . 1 1 8 CYS CB C -1.139 -0.235 -3.015 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CB . . . . . . . . . c18964_2m3i 1 . 19 . 3547 . 1 1 8 CYS H H -2.727 -2.016 -1.965 . . . 1.0 . . . . . . . . . . . . A . 8 CYS H . . . . . . . . . c18964_2m3i 1 . 19 . 3548 . 1 1 8 CYS HA H -0.065 -2.077 -3.015 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HA . . . . . . . . . c18964_2m3i 1 . 19 . 3549 . 1 1 8 CYS HB2 H -1.630 0.388 -2.283 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB2 . . . . . . . . . c18964_2m3i 1 . 19 . 3550 . 1 1 8 CYS HB3 H -0.252 0.276 -3.361 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB3 . . . . . . . . . c18964_2m3i 1 . 19 . 3551 . 1 1 8 CYS N N -1.817 -2.375 -1.964 . . . 1.0 . . . . . . . . . . . . A . 8 CYS N . . . . . . . . . c18964_2m3i 1 . 19 . 3552 . 1 1 8 CYS O O 1.316 -1.029 -1.182 . . . 1.0 . . . . . . . . . . . . A . 8 CYS O . . . . . . . . . c18964_2m3i 1 . 19 . 3553 . 1 1 8 CYS SG S -2.281 -0.383 -4.427 . . . 1.0 . . . . . . . . . . . . A . 8 CYS SG . . . . . . . . . c18964_2m3i 1 . 19 . 3554 . 1 1 9 SER C C 0.958 -1.781 1.783 . . . 1.0 . . . . . . . . . . . . A . 9 SER C . . . . . . . . . c18964_2m3i 1 . 19 . 3555 . 1 1 9 SER CA C 0.081 -0.621 1.247 . . . 1.0 . . . . . . . . . . . . A . 9 SER CA . . . . . . . . . c18964_2m3i 1 . 19 . 3556 . 1 1 9 SER CB C -0.954 -0.166 2.297 . . . 1.0 . . . . . . . . . . . . A . 9 SER CB . . . . . . . . . c18964_2m3i 1 . 19 . 3557 . 1 1 9 SER H H -1.543 -1.109 0.040 . . . 1.0 . . . . . . . . . . . . A . 9 SER H . . . . . . . . . c18964_2m3i 1 . 19 . 3558 . 1 1 9 SER HA H 0.678 0.233 0.968 . . . 1.0 . . . . . . . . . . . . A . 9 SER HA . . . . . . . . . c18964_2m3i 1 . 19 . 3559 . 1 1 9 SER HB2 H -1.579 0.604 1.870 . . . 1.0 . . . . . . . . . . . . A . 9 SER HB2 . . . . . . . . . c18964_2m3i 1 . 19 . 3560 . 1 1 9 SER HB3 H -1.565 -1.010 2.575 . . . 1.0 . . . . . . . . . . . . A . 9 SER HB3 . . . . . . . . . c18964_2m3i 1 . 19 . 3561 . 1 1 9 SER HG H 0.498 0.771 3.174 . . . 1.0 . . . . . . . . . . . . A . 9 SER HG . . . . . . . . . c18964_2m3i 1 . 19 . 3562 . 1 1 9 SER N N -0.567 -0.996 0.022 . . . 1.0 . . . . . . . . . . . . A . 9 SER N . . . . . . . . . c18964_2m3i 1 . 19 . 3563 . 1 1 9 SER O O 1.780 -1.591 2.668 . . . 1.0 . . . . . . . . . . . . A . 9 SER O . . . . . . . . . c18964_2m3i 1 . 19 . 3564 . 1 1 9 SER OG O -0.324 0.356 3.469 . . . 1.0 . . . . . . . . . . . . A . 9 SER OG . . . . . . . . . c18964_2m3i 1 . 19 . 3565 . 1 1 10 ALA C C 2.783 -4.150 0.674 . . . 1.0 . . . . . . . . . . . . A . 10 ALA C . . . . . . . . . c18964_2m3i 1 . 19 . 3566 . 1 1 10 ALA CA C 1.584 -4.112 1.605 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CA . . . . . . . . . c18964_2m3i 1 . 19 . 3567 . 1 1 10 ALA CB C 0.801 -5.410 1.528 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CB . . . . . . . . . c18964_2m3i 1 . 19 . 3568 . 1 1 10 ALA H H -0.015 -3.103 0.656 . . . 1.0 . . . . . . . . . . . . A . 10 ALA H . . . . . . . . . c18964_2m3i 1 . 19 . 3569 . 1 1 10 ALA HA H 1.947 -3.973 2.613 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HA . . . . . . . . . c18964_2m3i 1 . 19 . 3570 . 1 1 10 ALA HB1 H -0.031 -5.364 2.215 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB1 . . . . . . . . . c18964_2m3i 1 . 19 . 3571 . 1 1 10 ALA HB2 H 1.443 -6.238 1.791 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB2 . . . . . . . . . c18964_2m3i 1 . 19 . 3572 . 1 1 10 ALA HB3 H 0.431 -5.544 0.523 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB3 . . . . . . . . . c18964_2m3i 1 . 19 . 3573 . 1 1 10 ALA N N 0.744 -2.980 1.262 . . . 1.0 . . . . . . . . . . . . A . 10 ALA N . . . . . . . . . c18964_2m3i 1 . 19 . 3574 . 1 1 10 ALA O O 3.893 -4.517 1.074 . . . 1.0 . . . . . . . . . . . . A . 10 ALA O . . . . . . . . . c18964_2m3i 1 . 19 . 3575 . 1 1 11 MET C C 4.536 -2.530 -1.251 . . . 1.0 . . . . . . . . . . . . A . 11 MET C . . . . . . . . . c18964_2m3i 1 . 19 . 3576 . 1 1 11 MET CA C 3.624 -3.690 -1.559 . . . 1.0 . . . . . . . . . . . . A . 11 MET CA . . . . . . . . . c18964_2m3i 1 . 19 . 3577 . 1 1 11 MET CB C 3.085 -3.616 -2.992 . . . 1.0 . . . . . . . . . . . . A . 11 MET CB . . . . . . . . . c18964_2m3i 1 . 19 . 3578 . 1 1 11 MET CE C 4.568 -6.003 -4.607 . . . 1.0 . . . . . . . . . . . . A . 11 MET CE . . . . . . . . . c18964_2m3i 1 . 19 . 3579 . 1 1 11 MET CG C 2.314 -4.859 -3.424 . . . 1.0 . . . . . . . . . . . . A . 11 MET CG . . . . . . . . . c18964_2m3i 1 . 19 . 3580 . 1 1 11 MET H H 1.642 -3.509 -0.832 . . . 1.0 . . . . . . . . . . . . A . 11 MET H . . . . . . . . . c18964_2m3i 1 . 19 . 3581 . 1 1 11 MET HA H 4.207 -4.584 -1.439 . . . 1.0 . . . . . . . . . . . . A . 11 MET HA . . . . . . . . . c18964_2m3i 1 . 19 . 3582 . 1 1 11 MET HB2 H 2.422 -2.765 -3.063 . . . 1.0 . . . . . . . . . . . . A . 11 MET HB2 . . . . . . . . . c18964_2m3i 1 . 19 . 3583 . 1 1 11 MET HB3 H 3.912 -3.471 -3.671 . . . 1.0 . . . . . . . . . . . . A . 11 MET HB3 . . . . . . . . . c18964_2m3i 1 . 19 . 3584 . 1 1 11 MET HE1 H 5.129 -5.130 -4.307 . . . 1.0 . . . . . . . . . . . . A . 11 MET HE1 . . . . . . . . . c18964_2m3i 1 . 19 . 3585 . 1 1 11 MET HE2 H 4.092 -5.814 -5.557 . . . 1.0 . . . . . . . . . . . . A . 11 MET HE2 . . . . . . . . . c18964_2m3i 1 . 19 . 3586 . 1 1 11 MET HE3 H 5.238 -6.845 -4.702 . . . 1.0 . . . . . . . . . . . . A . 11 MET HE3 . . . . . . . . . c18964_2m3i 1 . 19 . 3587 . 1 1 11 MET HG2 H 1.466 -4.988 -2.769 . . . 1.0 . . . . . . . . . . . . A . 11 MET HG2 . . . . . . . . . c18964_2m3i 1 . 19 . 3588 . 1 1 11 MET HG3 H 1.965 -4.715 -4.436 . . . 1.0 . . . . . . . . . . . . A . 11 MET HG3 . . . . . . . . . c18964_2m3i 1 . 19 . 3589 . 1 1 11 MET N N 2.555 -3.755 -0.574 . . . 1.0 . . . . . . . . . . . . A . 11 MET N . . . . . . . . . c18964_2m3i 1 . 19 . 3590 . 1 1 11 MET O O 5.753 -2.597 -1.430 . . . 1.0 . . . . . . . . . . . . A . 11 MET O . . . . . . . . . c18964_2m3i 1 . 19 . 3591 . 1 1 11 MET SD S 3.316 -6.371 -3.371 . . . 1.0 . . . . . . . . . . . . A . 11 MET SD . . . . . . . . . c18964_2m3i 1 . 19 . 3592 . 1 1 12 SER C C 4.206 -0.015 1.092 . . . 1.0 . . . . . . . . . . . . A . 12 SER C . . . . . . . . . c18964_2m3i 1 . 19 . 3593 . 1 1 12 SER CA C 4.663 -0.355 -0.326 . . . 1.0 . . . . . . . . . . . . A . 12 SER CA . . . . . . . . . c18964_2m3i 1 . 19 . 3594 . 1 1 12 SER CB C 4.435 0.830 -1.256 . . . 1.0 . . . . . . . . . . . . A . 12 SER CB . . . . . . . . . c18964_2m3i 1 . 19 . 3595 . 1 1 12 SER H H 2.975 -1.504 -0.747 . . . 1.0 . . . . . . . . . . . . A . 12 SER H . . . . . . . . . c18964_2m3i 1 . 19 . 3596 . 1 1 12 SER HA H 5.715 -0.601 -0.318 . . . 1.0 . . . . . . . . . . . . A . 12 SER HA . . . . . . . . . c18964_2m3i 1 . 19 . 3597 . 1 1 12 SER HB2 H 4.545 0.502 -2.276 . . . 1.0 . . . . . . . . . . . . A . 12 SER HB2 . . . . . . . . . c18964_2m3i 1 . 19 . 3598 . 1 1 12 SER HB3 H 3.428 1.181 -1.084 . . . 1.0 . . . . . . . . . . . . A . 12 SER HB3 . . . . . . . . . c18964_2m3i 1 . 19 . 3599 . 1 1 12 SER HG H 6.056 1.875 -1.608 . . . 1.0 . . . . . . . . . . . . A . 12 SER HG . . . . . . . . . c18964_2m3i 1 . 19 . 3600 . 1 1 12 SER N N 3.954 -1.495 -0.777 . . . 1.0 . . . . . . . . . . . . A . 12 SER N . . . . . . . . . c18964_2m3i 1 . 19 . 3601 . 1 1 12 SER O O 3.268 0.759 1.292 . . . 1.0 . . . . . . . . . . . . A . 12 SER O . . . . . . . . . c18964_2m3i 1 . 19 . 3602 . 1 1 12 SER OG O 5.331 1.894 -0.970 . . . 1.0 . . . . . . . . . . . . A . 12 SER OG . . . . . . . . . c18964_2m3i 1 . 19 . 3603 . 1 1 13 PRO C C 5.211 0.915 3.997 . . . 1.0 . . . . . . . . . . . . A . 13 PRO C . . . . . . . . . c18964_2m3i 1 . 19 . 3604 . 1 1 13 PRO CA C 4.510 -0.353 3.522 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CA . . . . . . . . . c18964_2m3i 1 . 19 . 3605 . 1 1 13 PRO CB C 5.065 -1.577 4.237 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CB . . . . . . . . . c18964_2m3i 1 . 19 . 3606 . 1 1 13 PRO CD C 5.900 -1.647 1.986 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CD . . . . . . . . . c18964_2m3i 1 . 19 . 3607 . 1 1 13 PRO CG C 6.227 -1.999 3.409 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CG . . . . . . . . . c18964_2m3i 1 . 19 . 3608 . 1 1 13 PRO HA H 3.445 -0.266 3.677 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HA . . . . . . . . . c18964_2m3i 1 . 19 . 3609 . 1 1 13 PRO HB2 H 5.365 -1.306 5.240 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HB2 . . . . . . . . . c18964_2m3i 1 . 19 . 3610 . 1 1 13 PRO HB3 H 4.310 -2.348 4.277 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HB3 . . . . . . . . . c18964_2m3i 1 . 19 . 3611 . 1 1 13 PRO HD2 H 6.768 -1.242 1.489 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HD2 . . . . . . . . . c18964_2m3i 1 . 19 . 3612 . 1 1 13 PRO HD3 H 5.532 -2.513 1.455 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HD3 . . . . . . . . . c18964_2m3i 1 . 19 . 3613 . 1 1 13 PRO HG2 H 7.109 -1.457 3.718 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HG2 . . . . . . . . . c18964_2m3i 1 . 19 . 3614 . 1 1 13 PRO HG3 H 6.366 -3.065 3.507 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HG3 . . . . . . . . . c18964_2m3i 1 . 19 . 3615 . 1 1 13 PRO N N 4.839 -0.623 2.113 . . . 1.0 . . . . . . . . . . . . A . 13 PRO N . . . . . . . . . c18964_2m3i 1 . 19 . 3616 . 1 1 13 PRO O O 5.274 1.230 5.187 . . . 1.0 . . . . . . . . . . . . A . 13 PRO O . . . . . . . . . c18964_2m3i 1 . 19 . 3617 . 1 1 14 ILE C C 5.431 3.985 3.144 . . . 1.0 . . . . . . . . . . . . A . 14 ILE C . . . . . . . . . c18964_2m3i 1 . 19 . 3618 . 1 1 14 ILE CA C 6.436 2.851 3.251 . . . 1.0 . . . . . . . . . . . . A . 14 ILE CA . . . . . . . . . c18964_2m3i 1 . 19 . 3619 . 1 1 14 ILE CB C 7.585 3.017 2.221 . . . 1.0 . . . . . . . . . . . . A . 14 ILE CB . . . . . . . . . c18964_2m3i 1 . 19 . 3620 . 1 1 14 ILE CD1 C 9.589 1.747 1.235 . . . 1.0 . . . . . . . . . . . . A . 14 ILE CD1 . . . . . . . . . c18964_2m3i 1 . 19 . 3621 . 1 1 14 ILE CG1 C 8.489 1.772 2.270 . . . 1.0 . . . . . . . . . . . . A . 14 ILE CG1 . . . . . . . . . c18964_2m3i 1 . 19 . 3622 . 1 1 14 ILE CG2 C 8.397 4.287 2.500 . . . 1.0 . . . . . . . . . . . . A . 14 ILE CG2 . . . . . . . . . c18964_2m3i 1 . 19 . 3623 . 1 1 14 ILE H H 5.695 1.246 2.134 . . . 1.0 . . . . . . . . . . . . A . 14 ILE H . . . . . . . . . c18964_2m3i 1 . 19 . 3624 . 1 1 14 ILE HA H 6.838 2.806 4.240 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HA . . . . . . . . . c18964_2m3i 1 . 19 . 3625 . 1 1 14 ILE HB H 7.154 3.090 1.234 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HB . . . . . . . . . c18964_2m3i 1 . 19 . 3626 . 1 1 14 ILE HD11 H 9.160 1.795 0.245 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HD11 . . . . . . . . . c18964_2m3i 1 . 19 . 3627 . 1 1 14 ILE HD12 H 10.155 0.833 1.336 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HD12 . . . . . . . . . c18964_2m3i 1 . 19 . 3628 . 1 1 14 ILE HD13 H 10.243 2.593 1.388 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HD13 . . . . . . . . . c18964_2m3i 1 . 19 . 3629 . 1 1 14 ILE HG12 H 8.956 1.720 3.242 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HG12 . . . . . . . . . c18964_2m3i 1 . 19 . 3630 . 1 1 14 ILE HG13 H 7.877 0.893 2.129 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HG13 . . . . . . . . . c18964_2m3i 1 . 19 . 3631 . 1 1 14 ILE HG21 H 7.748 5.148 2.440 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HG21 . . . . . . . . . c18964_2m3i 1 . 19 . 3632 . 1 1 14 ILE HG22 H 9.185 4.379 1.768 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HG22 . . . . . . . . . c18964_2m3i 1 . 19 . 3633 . 1 1 14 ILE HG23 H 8.830 4.229 3.488 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HG23 . . . . . . . . . c18964_2m3i 1 . 19 . 3634 . 1 1 14 ILE N N 5.755 1.616 3.038 . . . 1.0 . . . . . . . . . . . . A . 14 ILE N . . . . . . . . . c18964_2m3i 1 . 19 . 3635 . 1 1 14 ILE O O 5.616 5.082 3.685 . . . 1.0 . . . . . . . . . . . . A . 14 ILE O . . . . . . . . . c18964_2m3i 1 . 19 . 3636 . 1 1 15 CYS C C 1.971 4.000 2.725 . . . 1.0 . . . . . . . . . . . . A . 15 CYS C . . . . . . . . . c18964_2m3i 1 . 19 . 3637 . 1 1 15 CYS CA C 3.298 4.611 2.262 . . . 1.0 . . . . . . . . . . . . A . 15 CYS CA . . . . . . . . . c18964_2m3i 1 . 19 . 3638 . 1 1 15 CYS CB C 3.257 4.950 0.764 . . . 1.0 . . . . . . . . . . . . A . 15 CYS CB . . . . . . . . . c18964_2m3i 1 . 19 . 3639 . 1 1 15 CYS H H 4.276 2.739 2.225 . . . 1.0 . . . . . . . . . . . . A . 15 CYS H . . . . . . . . . c18964_2m3i 1 . 19 . 3640 . 1 1 15 CYS HA H 3.500 5.508 2.826 . . . 1.0 . . . . . . . . . . . . A . 15 CYS HA . . . . . . . . . c18964_2m3i 1 . 19 . 3641 . 1 1 15 CYS HB2 H 4.265 5.109 0.410 . . . 1.0 . . . . . . . . . . . . A . 15 CYS HB2 . . . . . . . . . c18964_2m3i 1 . 19 . 3642 . 1 1 15 CYS HB3 H 2.829 4.107 0.240 . . . 1.0 . . . . . . . . . . . . A . 15 CYS HB3 . . . . . . . . . c18964_2m3i 1 . 19 . 3643 . 1 1 15 CYS N N 4.353 3.672 2.512 . . . 1.0 . . . . . . . . . . . . A . 15 CYS N . . . . . . . . . c18964_2m3i 1 . 19 . 3644 . 1 1 15 CYS O O 1.310 3.267 1.984 . . . 1.0 . . . . . . . . . . . . A . 15 CYS O . . . . . . . . . c18964_2m3i 1 . 19 . 3645 . 1 1 15 CYS SG S 2.276 6.434 0.336 . . . 1.0 . . . . . . . . . . . . A . 15 CYS SG . . . . . . . . . c18964_2m3i 1 . 19 . 3646 . 1 1 16 NH2 HN1 H 2.186 4.837 4.501 . . . 1.0 . . . . . . . . . . . . A . 16 NH2 HN1 . . . . . . . . . c18964_2m3i 1 . 19 . 3647 . 1 1 16 NH2 HN2 H 0.802 3.820 4.311 . . . 1.0 . . . . . . . . . . . . A . 16 NH2 HN2 . . . . . . . . . c18964_2m3i 1 . 19 . 3648 . 1 1 16 NH2 N N 1.615 4.244 3.966 . . . 1.0 . . . . . . . . . . . . A . 16 NH2 N . . . . . . . . . c18964_2m3i 1 . 20 . 3649 . 1 1 1 GLY C C -4.585 5.004 -2.775 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c18964_2m3i 1 . 20 . 3650 . 1 1 1 GLY CA C -4.804 6.487 -2.769 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c18964_2m3i 1 . 20 . 3651 . 1 1 1 GLY H1 H -5.075 6.653 -0.714 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c18964_2m3i 1 . 20 . 3652 . 1 1 1 GLY H2 H -6.465 6.331 -1.599 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H2 . . . . . . . . . c18964_2m3i 1 . 20 . 3653 . 1 1 1 GLY H3 H -5.824 7.887 -1.621 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H3 . . . . . . . . . c18964_2m3i 1 . 20 . 3654 . 1 1 1 GLY HA2 H -5.350 6.758 -3.660 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c18964_2m3i 1 . 20 . 3655 . 1 1 1 GLY HA3 H -3.855 7.001 -2.764 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c18964_2m3i 1 . 20 . 3656 . 1 1 1 GLY N N -5.582 6.880 -1.598 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c18964_2m3i 1 . 20 . 3657 . 1 1 1 GLY O O -5.308 4.276 -2.099 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c18964_2m3i 1 . 20 . 3658 . 1 1 2 CYS C C -2.783 2.651 -2.246 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . c18964_2m3i 1 . 20 . 3659 . 1 1 2 CYS CA C -3.285 3.121 -3.600 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . c18964_2m3i 1 . 20 . 3660 . 1 1 2 CYS CB C -2.183 2.888 -4.645 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . c18964_2m3i 1 . 20 . 3661 . 1 1 2 CYS H H -3.009 5.179 -3.986 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . c18964_2m3i 1 . 20 . 3662 . 1 1 2 CYS HA H -4.178 2.583 -3.880 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . c18964_2m3i 1 . 20 . 3663 . 1 1 2 CYS HB2 H -2.216 3.682 -5.374 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . c18964_2m3i 1 . 20 . 3664 . 1 1 2 CYS HB3 H -1.249 2.949 -4.106 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . c18964_2m3i 1 . 20 . 3665 . 1 1 2 CYS N N -3.582 4.546 -3.499 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . c18964_2m3i 1 . 20 . 3666 . 1 1 2 CYS O O -3.192 1.628 -1.744 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . c18964_2m3i 1 . 20 . 3667 . 1 1 2 CYS SG S -2.196 1.278 -5.565 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . c18964_2m3i 1 . 20 . 3668 . 1 1 3 CYS C C -2.318 3.226 0.806 . . . 1.0 . . . . . . . . . . . . A . 3 CYS C . . . . . . . . . c18964_2m3i 1 . 20 . 3669 . 1 1 3 CYS CA C -1.332 3.121 -0.352 . . . 1.0 . . . . . . . . . . . . A . 3 CYS CA . . . . . . . . . c18964_2m3i 1 . 20 . 3670 . 1 1 3 CYS CB C -0.125 3.993 -0.106 . . . 1.0 . . . . . . . . . . . . A . 3 CYS CB . . . . . . . . . c18964_2m3i 1 . 20 . 3671 . 1 1 3 CYS H H -1.709 4.326 -2.018 . . . 1.0 . . . . . . . . . . . . A . 3 CYS H . . . . . . . . . c18964_2m3i 1 . 20 . 3672 . 1 1 3 CYS HA H -1.001 2.100 -0.441 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HA . . . . . . . . . c18964_2m3i 1 . 20 . 3673 . 1 1 3 CYS HB2 H -0.431 5.027 -0.052 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HB2 . . . . . . . . . c18964_2m3i 1 . 20 . 3674 . 1 1 3 CYS HB3 H 0.274 3.696 0.847 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HB3 . . . . . . . . . c18964_2m3i 1 . 20 . 3675 . 1 1 3 CYS N N -1.944 3.459 -1.623 . . . 1.0 . . . . . . . . . . . . A . 3 CYS N . . . . . . . . . c18964_2m3i 1 . 20 . 3676 . 1 1 3 CYS O O -1.996 2.914 1.949 . . . 1.0 . . . . . . . . . . . . A . 3 CYS O . . . . . . . . . c18964_2m3i 1 . 20 . 3677 . 1 1 3 CYS SG S 1.176 3.843 -1.380 . . . 1.0 . . . . . . . . . . . . A . 3 CYS SG . . . . . . . . . c18964_2m3i 1 . 20 . 3678 . 1 1 4 SER C C -5.467 2.458 1.281 . . . 1.0 . . . . . . . . . . . . A . 4 SER C . . . . . . . . . c18964_2m3i 1 . 20 . 3679 . 1 1 4 SER CA C -4.609 3.728 1.430 . . . 1.0 . . . . . . . . . . . . A . 4 SER CA . . . . . . . . . c18964_2m3i 1 . 20 . 3680 . 1 1 4 SER CB C -5.460 4.936 1.090 . . . 1.0 . . . . . . . . . . . . A . 4 SER CB . . . . . . . . . c18964_2m3i 1 . 20 . 3681 . 1 1 4 SER H H -3.600 3.962 -0.439 . . . 1.0 . . . . . . . . . . . . A . 4 SER H . . . . . . . . . c18964_2m3i 1 . 20 . 3682 . 1 1 4 SER HA H -4.227 3.819 2.436 . . . 1.0 . . . . . . . . . . . . A . 4 SER HA . . . . . . . . . c18964_2m3i 1 . 20 . 3683 . 1 1 4 SER HB2 H -6.006 4.734 0.180 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB2 . . . . . . . . . c18964_2m3i 1 . 20 . 3684 . 1 1 4 SER HB3 H -6.155 5.128 1.894 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB3 . . . . . . . . . c18964_2m3i 1 . 20 . 3685 . 1 1 4 SER HG H -4.053 6.141 1.648 . . . 1.0 . . . . . . . . . . . . A . 4 SER HG . . . . . . . . . c18964_2m3i 1 . 20 . 3686 . 1 1 4 SER N N -3.500 3.659 0.488 . . . 1.0 . . . . . . . . . . . . A . 4 SER N . . . . . . . . . c18964_2m3i 1 . 20 . 3687 . 1 1 4 SER O O -6.522 2.309 1.904 . . . 1.0 . . . . . . . . . . . . A . 4 SER O . . . . . . . . . c18964_2m3i 1 . 20 . 3688 . 1 1 4 SER OG O -4.650 6.089 0.888 . . . 1.0 . . . . . . . . . . . . A . 4 SER OG . . . . . . . . . c18964_2m3i 1 . 20 . 3689 . 1 1 5 HIS C C -4.684 -0.796 0.350 . . . 1.0 . . . . . . . . . . . . A . 5 HIS C . . . . . . . . . c18964_2m3i 1 . 20 . 3690 . 1 1 5 HIS CA C -5.667 0.346 0.109 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CA . . . . . . . . . c18964_2m3i 1 . 20 . 3691 . 1 1 5 HIS CB C -6.104 0.426 -1.378 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CB . . . . . . . . . c18964_2m3i 1 . 20 . 3692 . 1 1 5 HIS CD2 C -7.835 -1.508 -1.406 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CD2 . . . . . . . . . c18964_2m3i 1 . 20 . 3693 . 1 1 5 HIS CE1 C -7.426 -2.311 -3.378 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CE1 . . . . . . . . . c18964_2m3i 1 . 20 . 3694 . 1 1 5 HIS CG C -6.828 -0.771 -1.929 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CG . . . . . . . . . c18964_2m3i 1 . 20 . 3695 . 1 1 5 HIS H H -4.107 1.703 0.045 . . . 1.0 . . . . . . . . . . . . A . 5 HIS H . . . . . . . . . c18964_2m3i 1 . 20 . 3696 . 1 1 5 HIS HA H -6.535 0.238 0.741 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HA . . . . . . . . . c18964_2m3i 1 . 20 . 3697 . 1 1 5 HIS HB2 H -6.757 1.277 -1.504 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB2 . . . . . . . . . c18964_2m3i 1 . 20 . 3698 . 1 1 5 HIS HB3 H -5.221 0.586 -1.980 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB3 . . . . . . . . . c18964_2m3i 1 . 20 . 3699 . 1 1 5 HIS HD1 H -5.927 -0.982 -3.840 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD1 . . . . . . . . . c18964_2m3i 1 . 20 . 3700 . 1 1 5 HIS HD2 H -8.289 -1.358 -0.438 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD2 . . . . . . . . . c18964_2m3i 1 . 20 . 3701 . 1 1 5 HIS HE1 H -7.462 -2.910 -4.277 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HE1 . . . . . . . . . c18964_2m3i 1 . 20 . 3702 . 1 1 5 HIS N N -4.992 1.565 0.449 . . . 1.0 . . . . . . . . . . . . A . 5 HIS N . . . . . . . . . c18964_2m3i 1 . 20 . 3703 . 1 1 5 HIS ND1 N -6.584 -1.299 -3.181 . . . 1.0 . . . . . . . . . . . . A . 5 HIS ND1 . . . . . . . . . c18964_2m3i 1 . 20 . 3704 . 1 1 5 HIS NE2 N -8.210 -2.486 -2.327 . . . 1.0 . . . . . . . . . . . . A . 5 HIS NE2 . . . . . . . . . c18964_2m3i 1 . 20 . 3705 . 1 1 5 HIS O O -3.612 -0.810 -0.264 . . . 1.0 . . . . . . . . . . . . A . 5 HIS O . . . . . . . . . c18964_2m3i 1 . 20 . 3706 . 1 1 6 PRO C C -3.249 -3.481 0.666 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . c18964_2m3i 1 . 20 . 3707 . 1 1 6 PRO CA C -4.185 -2.879 1.721 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . c18964_2m3i 1 . 20 . 3708 . 1 1 6 PRO CB C -5.230 -3.885 2.155 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . c18964_2m3i 1 . 20 . 3709 . 1 1 6 PRO CD C -6.335 -1.776 1.982 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . c18964_2m3i 1 . 20 . 3710 . 1 1 6 PRO CG C -6.257 -3.037 2.809 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . c18964_2m3i 1 . 20 . 3711 . 1 1 6 PRO HA H -3.603 -2.599 2.586 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . c18964_2m3i 1 . 20 . 3712 . 1 1 6 PRO HB2 H -5.620 -4.392 1.286 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB2 . . . . . . . . . c18964_2m3i 1 . 20 . 3713 . 1 1 6 PRO HB3 H -4.810 -4.598 2.847 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . c18964_2m3i 1 . 20 . 3714 . 1 1 6 PRO HD2 H -7.155 -1.833 1.283 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD2 . . . . . . . . . c18964_2m3i 1 . 20 . 3715 . 1 1 6 PRO HD3 H -6.440 -0.916 2.625 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . c18964_2m3i 1 . 20 . 3716 . 1 1 6 PRO HG2 H -7.210 -3.545 2.823 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG2 . . . . . . . . . c18964_2m3i 1 . 20 . 3717 . 1 1 6 PRO HG3 H -5.947 -2.800 3.815 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . c18964_2m3i 1 . 20 . 3718 . 1 1 6 PRO N N -5.034 -1.742 1.269 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . c18964_2m3i 1 . 20 . 3719 . 1 1 6 PRO O O -2.092 -3.788 0.968 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . c18964_2m3i 1 . 20 . 3720 . 1 1 7 VAL C C -1.651 -3.365 -1.857 . . . 1.0 . . . . . . . . . . . . A . 7 VAL C . . . . . . . . . c18964_2m3i 1 . 20 . 3721 . 1 1 7 VAL CA C -2.960 -4.152 -1.668 . . . 1.0 . . . . . . . . . . . . A . 7 VAL CA . . . . . . . . . c18964_2m3i 1 . 20 . 3722 . 1 1 7 VAL CB C -3.782 -4.149 -2.991 . . . 1.0 . . . . . . . . . . . . A . 7 VAL CB . . . . . . . . . c18964_2m3i 1 . 20 . 3723 . 1 1 7 VAL CG1 C -2.972 -4.717 -4.148 . . . 1.0 . . . . . . . . . . . . A . 7 VAL CG1 . . . . . . . . . c18964_2m3i 1 . 20 . 3724 . 1 1 7 VAL CG2 C -5.068 -4.941 -2.818 . . . 1.0 . . . . . . . . . . . . A . 7 VAL CG2 . . . . . . . . . c18964_2m3i 1 . 20 . 3725 . 1 1 7 VAL H H -4.663 -3.314 -0.714 . . . 1.0 . . . . . . . . . . . . A . 7 VAL H . . . . . . . . . c18964_2m3i 1 . 20 . 3726 . 1 1 7 VAL HA H -2.710 -5.172 -1.419 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HA . . . . . . . . . c18964_2m3i 1 . 20 . 3727 . 1 1 7 VAL HB H -4.043 -3.128 -3.227 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HB . . . . . . . . . c18964_2m3i 1 . 20 . 3728 . 1 1 7 VAL HG11 H -2.089 -4.114 -4.295 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG11 . . . . . . . . . c18964_2m3i 1 . 20 . 3729 . 1 1 7 VAL HG12 H -3.570 -4.709 -5.047 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG12 . . . . . . . . . c18964_2m3i 1 . 20 . 3730 . 1 1 7 VAL HG13 H -2.681 -5.731 -3.917 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG13 . . . . . . . . . c18964_2m3i 1 . 20 . 3731 . 1 1 7 VAL HG21 H -5.628 -4.924 -3.741 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG21 . . . . . . . . . c18964_2m3i 1 . 20 . 3732 . 1 1 7 VAL HG22 H -5.660 -4.503 -2.029 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG22 . . . . . . . . . c18964_2m3i 1 . 20 . 3733 . 1 1 7 VAL HG23 H -4.827 -5.963 -2.564 . . . 1.0 . . . . . . . . . . . . A . 7 VAL HG23 . . . . . . . . . c18964_2m3i 1 . 20 . 3734 . 1 1 7 VAL N N -3.740 -3.606 -0.564 . . . 1.0 . . . . . . . . . . . . A . 7 VAL N . . . . . . . . . c18964_2m3i 1 . 20 . 3735 . 1 1 7 VAL O O -0.553 -3.933 -1.789 . . . 1.0 . . . . . . . . . . . . A . 7 VAL O . . . . . . . . . c18964_2m3i 1 . 20 . 3736 . 1 1 8 CYS C C 0.065 -0.891 -0.910 . . . 1.0 . . . . . . . . . . . . A . 8 CYS C . . . . . . . . . c18964_2m3i 1 . 20 . 3737 . 1 1 8 CYS CA C -0.593 -1.249 -2.244 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CA . . . . . . . . . c18964_2m3i 1 . 20 . 3738 . 1 1 8 CYS CB C -0.978 0.014 -3.003 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CB . . . . . . . . . c18964_2m3i 1 . 20 . 3739 . 1 1 8 CYS H H -2.639 -1.633 -1.924 . . . 1.0 . . . . . . . . . . . . A . 8 CYS H . . . . . . . . . c18964_2m3i 1 . 20 . 3740 . 1 1 8 CYS HA H 0.101 -1.827 -2.836 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HA . . . . . . . . . c18964_2m3i 1 . 20 . 3741 . 1 1 8 CYS HB2 H -1.306 0.759 -2.291 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB2 . . . . . . . . . c18964_2m3i 1 . 20 . 3742 . 1 1 8 CYS HB3 H -0.123 0.391 -3.543 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB3 . . . . . . . . . c18964_2m3i 1 . 20 . 3743 . 1 1 8 CYS N N -1.760 -2.064 -2.000 . . . 1.0 . . . . . . . . . . . . A . 8 CYS N . . . . . . . . . c18964_2m3i 1 . 20 . 3744 . 1 1 8 CYS O O 1.264 -0.604 -0.857 . . . 1.0 . . . . . . . . . . . . A . 8 CYS O . . . . . . . . . c18964_2m3i 1 . 20 . 3745 . 1 1 8 CYS SG S -2.338 -0.237 -4.206 . . . 1.0 . . . . . . . . . . . . A . 8 CYS SG . . . . . . . . . c18964_2m3i 1 . 20 . 3746 . 1 1 9 SER C C 0.837 -1.733 1.901 . . . 1.0 . . . . . . . . . . . . A . 9 SER C . . . . . . . . . c18964_2m3i 1 . 20 . 3747 . 1 1 9 SER CA C -0.206 -0.672 1.503 . . . 1.0 . . . . . . . . . . . . A . 9 SER CA . . . . . . . . . c18964_2m3i 1 . 20 . 3748 . 1 1 9 SER CB C -1.336 -0.652 2.524 . . . 1.0 . . . . . . . . . . . . A . 9 SER CB . . . . . . . . . c18964_2m3i 1 . 20 . 3749 . 1 1 9 SER H H -1.687 -1.096 0.085 . . . 1.0 . . . . . . . . . . . . A . 9 SER H . . . . . . . . . c18964_2m3i 1 . 20 . 3750 . 1 1 9 SER HA H 0.234 0.311 1.448 . . . 1.0 . . . . . . . . . . . . A . 9 SER HA . . . . . . . . . c18964_2m3i 1 . 20 . 3751 . 1 1 9 SER HB2 H -1.778 -1.635 2.572 . . . 1.0 . . . . . . . . . . . . A . 9 SER HB2 . . . . . . . . . c18964_2m3i 1 . 20 . 3752 . 1 1 9 SER HB3 H -0.942 -0.383 3.493 . . . 1.0 . . . . . . . . . . . . A . 9 SER HB3 . . . . . . . . . c18964_2m3i 1 . 20 . 3753 . 1 1 9 SER HG H -2.011 1.178 2.305 . . . 1.0 . . . . . . . . . . . . A . 9 SER HG . . . . . . . . . c18964_2m3i 1 . 20 . 3754 . 1 1 9 SER N N -0.722 -0.930 0.174 . . . 1.0 . . . . . . . . . . . . A . 9 SER N . . . . . . . . . c18964_2m3i 1 . 20 . 3755 . 1 1 9 SER O O 1.816 -1.439 2.596 . . . 1.0 . . . . . . . . . . . . A . 9 SER O . . . . . . . . . c18964_2m3i 1 . 20 . 3756 . 1 1 9 SER OG O -2.342 0.277 2.161 . . . 1.0 . . . . . . . . . . . . A . 9 SER OG . . . . . . . . . c18964_2m3i 1 . 20 . 3757 . 1 1 10 ALA C C 2.666 -4.024 0.724 . . . 1.0 . . . . . . . . . . . . A . 10 ALA C . . . . . . . . . c18964_2m3i 1 . 20 . 3758 . 1 1 10 ALA CA C 1.543 -4.041 1.731 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CA . . . . . . . . . c18964_2m3i 1 . 20 . 3759 . 1 1 10 ALA CB C 0.835 -5.369 1.712 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CB . . . . . . . . . c18964_2m3i 1 . 20 . 3760 . 1 1 10 ALA H H -0.224 -3.159 0.992 . . . 1.0 . . . . . . . . . . . . A . 10 ALA H . . . . . . . . . c18964_2m3i 1 . 20 . 3761 . 1 1 10 ALA HA H 1.978 -3.893 2.707 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HA . . . . . . . . . c18964_2m3i 1 . 20 . 3762 . 1 1 10 ALA HB1 H 1.535 -6.153 1.957 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB1 . . . . . . . . . c18964_2m3i 1 . 20 . 3763 . 1 1 10 ALA HB2 H 0.427 -5.541 0.727 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB2 . . . . . . . . . c18964_2m3i 1 . 20 . 3764 . 1 1 10 ALA HB3 H 0.034 -5.359 2.438 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB3 . . . . . . . . . c18964_2m3i 1 . 20 . 3765 . 1 1 10 ALA N N 0.613 -2.963 1.469 . . . 1.0 . . . . . . . . . . . . A . 10 ALA N . . . . . . . . . c18964_2m3i 1 . 20 . 3766 . 1 1 10 ALA O O 3.787 -4.430 1.039 . . . 1.0 . . . . . . . . . . . . A . 10 ALA O . . . . . . . . . c18964_2m3i 1 . 20 . 3767 . 1 1 11 MET C C 4.445 -2.492 -1.092 . . . 1.0 . . . . . . . . . . . . A . 11 MET C . . . . . . . . . c18964_2m3i 1 . 20 . 3768 . 1 1 11 MET CA C 3.349 -3.403 -1.553 . . . 1.0 . . . . . . . . . . . . A . 11 MET CA . . . . . . . . . c18964_2m3i 1 . 20 . 3769 . 1 1 11 MET CB C 2.709 -2.839 -2.824 . . . 1.0 . . . . . . . . . . . . A . 11 MET CB . . . . . . . . . c18964_2m3i 1 . 20 . 3770 . 1 1 11 MET CE C 4.256 -1.783 -6.559 . . . 1.0 . . . . . . . . . . . . A . 11 MET CE . . . . . . . . . c18964_2m3i 1 . 20 . 3771 . 1 1 11 MET CG C 3.674 -2.636 -3.985 . . . 1.0 . . . . . . . . . . . . A . 11 MET CG . . . . . . . . . c18964_2m3i 1 . 20 . 3772 . 1 1 11 MET H H 1.421 -3.323 -0.670 . . . 1.0 . . . . . . . . . . . . A . 11 MET H . . . . . . . . . c18964_2m3i 1 . 20 . 3773 . 1 1 11 MET HA H 3.786 -4.359 -1.764 . . . 1.0 . . . . . . . . . . . . A . 11 MET HA . . . . . . . . . c18964_2m3i 1 . 20 . 3774 . 1 1 11 MET HB2 H 1.927 -3.510 -3.148 . . . 1.0 . . . . . . . . . . . . A . 11 MET HB2 . . . . . . . . . c18964_2m3i 1 . 20 . 3775 . 1 1 11 MET HB3 H 2.266 -1.883 -2.585 . . . 1.0 . . . . . . . . . . . . A . 11 MET HB3 . . . . . . . . . c18964_2m3i 1 . 20 . 3776 . 1 1 11 MET HE1 H 5.040 -1.179 -6.124 . . . 1.0 . . . . . . . . . . . . A . 11 MET HE1 . . . . . . . . . c18964_2m3i 1 . 20 . 3777 . 1 1 11 MET HE2 H 3.926 -1.331 -7.483 . . . 1.0 . . . . . . . . . . . . A . 11 MET HE2 . . . . . . . . . c18964_2m3i 1 . 20 . 3778 . 1 1 11 MET HE3 H 4.632 -2.775 -6.756 . . . 1.0 . . . . . . . . . . . . A . 11 MET HE3 . . . . . . . . . c18964_2m3i 1 . 20 . 3779 . 1 1 11 MET HG2 H 4.480 -1.995 -3.658 . . . 1.0 . . . . . . . . . . . . A . 11 MET HG2 . . . . . . . . . c18964_2m3i 1 . 20 . 3780 . 1 1 11 MET HG3 H 4.075 -3.596 -4.277 . . . 1.0 . . . . . . . . . . . . A . 11 MET HG3 . . . . . . . . . c18964_2m3i 1 . 20 . 3781 . 1 1 11 MET N N 2.356 -3.553 -0.488 . . . 1.0 . . . . . . . . . . . . A . 11 MET N . . . . . . . . . c18964_2m3i 1 . 20 . 3782 . 1 1 11 MET O O 5.631 -2.819 -1.166 . . . 1.0 . . . . . . . . . . . . A . 11 MET O . . . . . . . . . c18964_2m3i 1 . 20 . 3783 . 1 1 11 MET SD S 2.878 -1.880 -5.416 . . . 1.0 . . . . . . . . . . . . A . 11 MET SD . . . . . . . . . c18964_2m3i 1 . 20 . 3784 . 1 1 12 SER C C 4.471 -0.007 1.299 . . . 1.0 . . . . . . . . . . . . A . 12 SER C . . . . . . . . . c18964_2m3i 1 . 20 . 3785 . 1 1 12 SER CA C 4.931 -0.414 -0.090 . . . 1.0 . . . . . . . . . . . . A . 12 SER CA . . . . . . . . . c18964_2m3i 1 . 20 . 3786 . 1 1 12 SER CB C 4.983 0.805 -0.991 . . . 1.0 . . . . . . . . . . . . A . 12 SER CB . . . . . . . . . c18964_2m3i 1 . 20 . 3787 . 1 1 12 SER H H 3.073 -1.216 -0.633 . . . 1.0 . . . . . . . . . . . . A . 12 SER H . . . . . . . . . c18964_2m3i 1 . 20 . 3788 . 1 1 12 SER HA H 5.916 -0.852 -0.041 . . . 1.0 . . . . . . . . . . . . A . 12 SER HA . . . . . . . . . c18964_2m3i 1 . 20 . 3789 . 1 1 12 SER HB2 H 5.075 0.488 -2.017 . . . 1.0 . . . . . . . . . . . . A . 12 SER HB2 . . . . . . . . . c18964_2m3i 1 . 20 . 3790 . 1 1 12 SER HB3 H 4.058 1.341 -0.851 . . . 1.0 . . . . . . . . . . . . A . 12 SER HB3 . . . . . . . . . c18964_2m3i 1 . 20 . 3791 . 1 1 12 SER HG H 6.845 1.218 -0.962 . . . 1.0 . . . . . . . . . . . . A . 12 SER HG . . . . . . . . . c18964_2m3i 1 . 20 . 3792 . 1 1 12 SER N N 4.041 -1.375 -0.614 . . . 1.0 . . . . . . . . . . . . A . 12 SER N . . . . . . . . . c18964_2m3i 1 . 20 . 3793 . 1 1 12 SER O O 3.588 0.850 1.445 . . . 1.0 . . . . . . . . . . . . A . 12 SER O . . . . . . . . . c18964_2m3i 1 . 20 . 3794 . 1 1 12 SER OG O 6.054 1.667 -0.632 . . . 1.0 . . . . . . . . . . . . A . 12 SER OG . . . . . . . . . c18964_2m3i 1 . 20 . 3795 . 1 1 13 PRO C C 5.366 1.049 4.104 . . . 1.0 . . . . . . . . . . . . A . 13 PRO C . . . . . . . . . c18964_2m3i 1 . 20 . 3796 . 1 1 13 PRO CA C 4.694 -0.263 3.716 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CA . . . . . . . . . c18964_2m3i 1 . 20 . 3797 . 1 1 13 PRO CB C 5.238 -1.425 4.545 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CB . . . . . . . . . c18964_2m3i 1 . 20 . 3798 . 1 1 13 PRO CD C 5.993 -1.741 2.283 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CD . . . . . . . . . c18964_2m3i 1 . 20 . 3799 . 1 1 13 PRO CG C 6.323 -2.028 3.723 . . . 1.0 . . . . . . . . . . . . A . 13 PRO CG . . . . . . . . . c18964_2m3i 1 . 20 . 3800 . 1 1 13 PRO HA H 3.627 -0.171 3.848 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HA . . . . . . . . . c18964_2m3i 1 . 20 . 3801 . 1 1 13 PRO HB2 H 5.619 -1.050 5.485 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HB2 . . . . . . . . . c18964_2m3i 1 . 20 . 3802 . 1 1 13 PRO HB3 H 4.448 -2.136 4.733 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HB3 . . . . . . . . . c18964_2m3i 1 . 20 . 3803 . 1 1 13 PRO HD2 H 6.885 -1.442 1.755 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HD2 . . . . . . . . . c18964_2m3i 1 . 20 . 3804 . 1 1 13 PRO HD3 H 5.548 -2.605 1.814 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HD3 . . . . . . . . . c18964_2m3i 1 . 20 . 3805 . 1 1 13 PRO HG2 H 7.275 -1.591 3.987 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HG2 . . . . . . . . . c18964_2m3i 1 . 20 . 3806 . 1 1 13 PRO HG3 H 6.338 -3.094 3.893 . . . 1.0 . . . . . . . . . . . . A . 13 PRO HG3 . . . . . . . . . c18964_2m3i 1 . 20 . 3807 . 1 1 13 PRO N N 5.027 -0.622 2.348 . . . 1.0 . . . . . . . . . . . . A . 13 PRO N . . . . . . . . . c18964_2m3i 1 . 20 . 3808 . 1 1 13 PRO O O 5.070 1.633 5.145 . . . 1.0 . . . . . . . . . . . . A . 13 PRO O . . . . . . . . . c18964_2m3i 1 . 20 . 3809 . 1 1 14 ILE C C 6.144 3.912 2.873 . . . 1.0 . . . . . . . . . . . . A . 14 ILE C . . . . . . . . . c18964_2m3i 1 . 20 . 3810 . 1 1 14 ILE CA C 6.969 2.757 3.435 . . . 1.0 . . . . . . . . . . . . A . 14 ILE CA . . . . . . . . . c18964_2m3i 1 . 20 . 3811 . 1 1 14 ILE CB C 8.383 2.719 2.771 . . . 1.0 . . . . . . . . . . . . A . 14 ILE CB . . . . . . . . . c18964_2m3i 1 . 20 . 3812 . 1 1 14 ILE CD1 C 10.475 1.270 2.488 . . . 1.0 . . . . . . . . . . . . A . 14 ILE CD1 . . . . . . . . . c18964_2m3i 1 . 20 . 3813 . 1 1 14 ILE CG1 C 9.114 1.420 3.141 . . . 1.0 . . . . . . . . . . . . A . 14 ILE CG1 . . . . . . . . . c18964_2m3i 1 . 20 . 3814 . 1 1 14 ILE CG2 C 9.218 3.915 3.231 . . . 1.0 . . . . . . . . . . . . A . 14 ILE CG2 . . . . . . . . . c18964_2m3i 1 . 20 . 3815 . 1 1 14 ILE H H 6.385 1.022 2.393 . . . 1.0 . . . . . . . . . . . . A . 14 ILE H . . . . . . . . . c18964_2m3i 1 . 20 . 3816 . 1 1 14 ILE HA H 7.061 2.858 4.499 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HA . . . . . . . . . c18964_2m3i 1 . 20 . 3817 . 1 1 14 ILE HB H 8.266 2.765 1.698 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HB . . . . . . . . . c18964_2m3i 1 . 20 . 3818 . 1 1 14 ILE HD11 H 10.927 0.345 2.812 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HD11 . . . . . . . . . c18964_2m3i 1 . 20 . 3819 . 1 1 14 ILE HD12 H 11.105 2.099 2.774 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HD12 . . . . . . . . . c18964_2m3i 1 . 20 . 3820 . 1 1 14 ILE HD13 H 10.360 1.259 1.414 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HD13 . . . . . . . . . c18964_2m3i 1 . 20 . 3821 . 1 1 14 ILE HG12 H 9.266 1.398 4.209 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HG12 . . . . . . . . . c18964_2m3i 1 . 20 . 3822 . 1 1 14 ILE HG13 H 8.507 0.576 2.850 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HG13 . . . . . . . . . c18964_2m3i 1 . 20 . 3823 . 1 1 14 ILE HG21 H 8.703 4.830 2.979 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HG21 . . . . . . . . . c18964_2m3i 1 . 20 . 3824 . 1 1 14 ILE HG22 H 10.179 3.894 2.736 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HG22 . . . . . . . . . c18964_2m3i 1 . 20 . 3825 . 1 1 14 ILE HG23 H 9.363 3.864 4.300 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HG23 . . . . . . . . . c18964_2m3i 1 . 20 . 3826 . 1 1 14 ILE N N 6.242 1.527 3.219 . . . 1.0 . . . . . . . . . . . . A . 14 ILE N . . . . . . . . . c18964_2m3i 1 . 20 . 3827 . 1 1 14 ILE O O 6.375 5.087 3.140 . . . 1.0 . . . . . . . . . . . . A . 14 ILE O . . . . . . . . . c18964_2m3i 1 . 20 . 3828 . 1 1 15 CYS C C 3.120 4.727 2.484 . . . 1.0 . . . . . . . . . . . . A . 15 CYS C . . . . . . . . . c18964_2m3i 1 . 20 . 3829 . 1 1 15 CYS CA C 4.267 4.487 1.529 . . . 1.0 . . . . . . . . . . . . A . 15 CYS CA . . . . . . . . . c18964_2m3i 1 . 20 . 3830 . 1 1 15 CYS CB C 3.755 3.951 0.195 . . . 1.0 . . . . . . . . . . . . A . 15 CYS CB . . . . . . . . . c18964_2m3i 1 . 20 . 3831 . 1 1 15 CYS H H 5.029 2.582 2.028 . . . 1.0 . . . . . . . . . . . . A . 15 CYS H . . . . . . . . . c18964_2m3i 1 . 20 . 3832 . 1 1 15 CYS HA H 4.805 5.409 1.365 . . . 1.0 . . . . . . . . . . . . A . 15 CYS HA . . . . . . . . . c18964_2m3i 1 . 20 . 3833 . 1 1 15 CYS HB2 H 4.597 3.733 -0.444 . . . 1.0 . . . . . . . . . . . . A . 15 CYS HB2 . . . . . . . . . c18964_2m3i 1 . 20 . 3834 . 1 1 15 CYS HB3 H 3.215 3.034 0.382 . . . 1.0 . . . . . . . . . . . . A . 15 CYS HB3 . . . . . . . . . c18964_2m3i 1 . 20 . 3835 . 1 1 15 CYS N N 5.160 3.546 2.131 . . . 1.0 . . . . . . . . . . . . A . 15 CYS N . . . . . . . . . c18964_2m3i 1 . 20 . 3836 . 1 1 15 CYS O O 2.086 4.053 2.422 . . . 1.0 . . . . . . . . . . . . A . 15 CYS O . . . . . . . . . c18964_2m3i 1 . 20 . 3837 . 1 1 15 CYS SG S 2.645 5.072 -0.720 . . . 1.0 . . . . . . . . . . . . A . 15 CYS SG . . . . . . . . . c18964_2m3i 1 . 20 . 3838 . 1 1 16 NH2 HN1 H 4.164 6.124 3.380 . . . 1.0 . . . . . . . . . . . . A . 16 NH2 HN1 . . . . . . . . . c18964_2m3i 1 . 20 . 3839 . 1 1 16 NH2 HN2 H 2.618 5.785 4.073 . . . 1.0 . . . . . . . . . . . . A . 16 NH2 HN2 . . . . . . . . . c18964_2m3i 1 . 20 . 3840 . 1 1 16 NH2 N N 3.314 5.632 3.402 . . . 1.0 . . . . . . . . . . . . A . 16 NH2 N . . . . . . . . . c18964_2m3i 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 c18964_2m3i _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 2m3i.mr . . 'MR format' 1 comment 'Not applicable' 'Not applicable' 0 c18964_2m3i 1 1 2m3i.mr . . XPLOR/CNS 2 distance NOE simple 78 c18964_2m3i 1 1 2m3i.mr . . XPLOR/CNS 3 'dihedral angle' 'Not applicable' 'Not applicable' 5 c18964_2m3i 1 1 2m3i.mr . . 'MR format' 4 'nomenclature mapping' 'Not applicable' 'Not applicable' 0 c18964_2m3i 1 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_2 _Gen_dist_constraint_list.Entry_ID c18964_2m3i _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 . . . . c18964_2m3i 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 5 5 HIS H H . . . 1 1 5 5 HIS HB3 H . . . . . 2.470 1.8 3.14 . . . . . A . 5 HIS H . . A . 5 HIS HB3 . . . 5 . HN . . . . . 5 . HB1 . . c18964_2m3i 1 2 1 . . 1 1 5 5 HIS H H . . . 1 1 5 5 HIS HB2 H . . . . . 2.470 1.8 3.14 . . . . . A . 5 HIS H . . A . 5 HIS HB2 . . . 5 . HN . . . . . 5 . HB2 . . c18964_2m3i 1 3 1 . . 1 1 15 15 CYS H H . . . 1 1 15 15 CYS HB3 H . . . . . 2.550 1.8 3.30 . . . . . A . 15 CYS H . . A . 15 CYS HB3 . . . 15 . HN . . . . . 15 . HB1 . . c18964_2m3i 1 4 1 . . 1 1 15 15 CYS H H . . . 1 1 15 15 CYS HB2 H . . . . . 2.550 1.8 3.30 . . . . . A . 15 CYS H . . A . 15 CYS HB2 . . . 15 . HN . . . . . 15 . HB2 . . c18964_2m3i 1 5 1 . . 1 1 15 15 CYS H H . . . 1 1 14 14 ILE HB H . . . . . 2.705 1.8 3.61 . . . . . A . 15 CYS H . . A . 14 ILE HB . . . 15 . HN . . . . . 14 . HB . . c18964_2m3i 1 6 1 . . 1 1 14 14 ILE HB H . . . 1 1 14 14 ILE H H . . . . . 2.300 1.8 2.80 . . . . . A . 14 ILE HB . . A . 14 ILE H . . . 14 . HB . . . . . 14 . HN . . c18964_2m3i 1 7 1 . . 1 1 15 15 CYS H H . . . 1 1 14 14 ILE HA H . . . . . 2.455 1.8 3.11 . . . . . A . 15 CYS H . . A . 14 ILE HA . . . 15 . HN . . . . . 14 . HA . . c18964_2m3i 1 8 1 . . 1 1 14 14 ILE H H . . . 1 1 14 14 ILE HA H . . . . . 2.300 1.8 2.80 . . . . . A . 14 ILE H . . A . 14 ILE HA . . . 14 . HN . . . . . 14 . HA . . c18964_2m3i 1 9 1 . . 1 1 15 15 CYS H H . . . 1 1 14 14 ILE H H . . . . . 2.270 1.8 2.74 . . . . . A . 15 CYS H . . A . 14 ILE H . . . 15 . HN . . . . . 14 . HN . . c18964_2m3i 1 10 1 . . 1 1 12 12 SER H H . . . 1 1 12 12 SER HB3 H . . . . . 2.365 1.8 2.93 . . . . . A . 12 SER H . . A . 12 SER HB3 . . . 12 . HN . . . . . 12 . HB1 . . c18964_2m3i 1 11 1 . . 1 1 12 12 SER H H . . . 1 1 12 12 SER HB2 H . . . . . 2.365 1.8 2.93 . . . . . A . 12 SER H . . A . 12 SER HB2 . . . 12 . HN . . . . . 12 . HB2 . . c18964_2m3i 1 12 1 . . 1 1 14 14 ILE H H . . . 1 1 13 13 PRO HA H . . . . . 2.565 1.8 3.33 . . . . . A . 14 ILE H . . A . 13 PRO HA . . . 14 . HN . . . . . 13 . HA . . c18964_2m3i 1 13 1 . . 1 1 14 14 ILE H H . . . 1 1 12 12 SER HA H . . . . . 2.905 1.8 4.01 . . . . . A . 14 ILE H . . A . 12 SER HA . . . 14 . HN . . . . . 12 . HA . . c18964_2m3i 1 14 1 . . 1 1 12 12 SER H H . . . 1 1 11 11 MET HA H . . . . . 2.535 1.8 3.27 . . . . . A . 12 SER H . . A . 11 MET HA . . . 12 . HN . . . . . 11 . HA . . c18964_2m3i 1 15 1 . . 1 1 11 11 MET H H . . . 1 1 11 11 MET HB2 H . . . . . 2.765 1.8 3.73 . . . . . A . 11 MET H . . A . 11 MET HB2 . . . 11 . HN . . . . . 11 . HB2 . . c18964_2m3i 1 16 1 . . 1 1 11 11 MET H H . . . 1 1 11 11 MET HB3 H . . . . . 2.765 1.8 3.73 . . . . . A . 11 MET H . . A . 11 MET HB3 . . . 11 . HN . . . . . 11 . HB1 . . c18964_2m3i 1 17 1 . . 1 1 12 12 SER H H . . . 1 1 11 11 MET HB3 H . . . . . 3.000 1.8 4.20 . . . . . A . 12 SER H . . A . 11 MET HB3 . . . 12 . HN . . . . . 11 . HB1 . . c18964_2m3i 1 18 1 . . 1 1 12 12 SER H H . . . 1 1 11 11 MET HB2 H . . . . . 3.000 1.8 4.20 . . . . . A . 12 SER H . . A . 11 MET HB2 . . . 12 . HN . . . . . 11 . HB2 . . c18964_2m3i 1 19 1 . . 1 1 5 5 HIS H H . . . 1 1 4 4 SER H H . . . . . 2.315 1.8 2.83 . . . . . A . 5 HIS H . . A . 4 SER H . . . 5 . HN . . . . . 4 . HN . . c18964_2m3i 1 20 1 . . 1 1 3 3 CYS H H . . . 1 1 3 3 CYS HB3 H . . . . . 2.660 1.8 3.52 . . . . . A . 3 CYS H . . A . 3 CYS HB3 . . . 3 . HN . . . . . 3 . HB1 . . c18964_2m3i 1 21 1 . . 1 1 3 3 CYS H H . . . 1 1 3 3 CYS HB2 H . . . . . 2.660 1.8 3.52 . . . . . A . 3 CYS H . . A . 3 CYS HB2 . . . 3 . HN . . . . . 3 . HB2 . . c18964_2m3i 1 22 1 . . 1 1 4 4 SER H H . . . 1 1 3 3 CYS HB2 H . . . . . 2.890 1.8 3.98 . . . . . A . 4 SER H . . A . 3 CYS HB2 . . . 4 . HN . . . . . 3 . HB2 . . c18964_2m3i 1 23 1 . . 1 1 4 4 SER H H . . . 1 1 3 3 CYS HB3 H . . . . . 2.890 1.8 3.98 . . . . . A . 4 SER H . . A . 3 CYS HB3 . . . 4 . HN . . . . . 3 . HB1 . . c18964_2m3i 1 24 1 . . 1 1 3 3 CYS H H . . . 1 1 3 3 CYS HA H . . . . . 2.285 1.8 2.77 . . . . . A . 3 CYS H . . A . 3 CYS HA . . . 3 . HN . . . . . 3 . HA . . c18964_2m3i 1 25 1 . . 1 1 3 3 CYS H H . . . 1 1 2 2 CYS HB3 H . . . . . 2.625 1.8 3.45 . . . . . A . 3 CYS H . . A . 2 CYS HB3 . . . 3 . HN . . . . . 2 . HB1 . . c18964_2m3i 1 26 1 . . 1 1 3 3 CYS H H . . . 1 1 2 2 CYS HB2 H . . . . . 2.625 1.8 3.45 . . . . . A . 3 CYS H . . A . 2 CYS HB2 . . . 3 . HN . . . . . 2 . HB2 . . c18964_2m3i 1 27 1 OR . 1 1 4 4 SER H H . . . 1 1 4 4 SER HB2 H . . . . . 2.975 1.8 4.15 . . . . . A . 4 SER H . . A . 4 SER HB2 . . . 4 . HN . . . . . 4 . HB# . . c18964_2m3i 1 27 2 OR . 1 1 4 4 SER H H . . . 1 1 4 4 SER HB3 H . . . . . 2.975 1.8 4.15 . . . . . A . 4 SER H . . A . 4 SER HB3 . . . 4 . HN . . . . . 4 . HB# . . c18964_2m3i 1 28 1 OR . 1 1 5 5 HIS H H . . . 1 1 4 4 SER HB2 H . . . . . 3.315 1.8 4.83 . . . . . A . 5 HIS H . . A . 4 SER HB2 . . . 5 . HN . . . . . 4 . HB# . . c18964_2m3i 1 28 2 OR . 1 1 5 5 HIS H H . . . 1 1 4 4 SER HB3 H . . . . . 3.315 1.8 4.83 . . . . . A . 5 HIS H . . A . 4 SER HB3 . . . 5 . HN . . . . . 4 . HB# . . c18964_2m3i 1 29 1 . . 1 1 5 5 HIS H H . . . 1 1 4 4 SER HA H . . . . . 2.640 1.8 3.48 . . . . . A . 5 HIS H . . A . 4 SER HA . . . 5 . HN . . . . . 4 . HA . . c18964_2m3i 1 30 1 . . 1 1 7 7 VAL H H . . . 1 1 7 7 VAL HB H . . . . . 2.735 1.8 3.67 . . . . . A . 7 VAL H . . A . 7 VAL HB . . . 7 . HN . . . . . 7 . HB . . c18964_2m3i 1 31 1 . . 1 1 9 9 SER HA H . . . 1 1 10 10 ALA H H . . . . . 2.660 1.8 3.52 . . . . . A . 9 SER HA . . A . 10 ALA H . . . 9 . HA . . . . . 10 . HN . . c18964_2m3i 1 32 1 . . 1 1 9 9 SER HA H . . . 1 1 9 9 SER H H . . . . . 2.255 1.8 2.71 . . . . . A . 9 SER HA . . A . 9 SER H . . . 9 . HA . . . . . 9 . HN . . c18964_2m3i 1 33 1 OR . 1 1 9 9 SER H H . . . 1 1 9 9 SER HB2 H . . . . . 2.835 1.8 3.87 . . . . . A . 9 SER H . . A . 9 SER HB2 . . . 9 . HN . . . . . 9 . HB# . . c18964_2m3i 1 33 2 OR . 1 1 9 9 SER H H . . . 1 1 9 9 SER HB3 H . . . . . 2.835 1.8 3.87 . . . . . A . 9 SER H . . A . 9 SER HB3 . . . 9 . HN . . . . . 9 . HB# . . c18964_2m3i 1 34 1 . . 1 1 10 10 ALA H H . . . 1 1 9 9 SER H H . . . . . 2.410 1.8 3.02 . . . . . A . 10 ALA H . . A . 9 SER H . . . 10 . HN . . . . . 9 . HN . . c18964_2m3i 1 35 1 . . 1 1 12 12 SER H H . . . 1 1 9 9 SER HA H . . . . . 2.815 1.8 3.83 . . . . . A . 12 SER H . . A . 9 SER HA . . . 12 . HN . . . . . 9 . HA . . c18964_2m3i 1 36 1 . . 1 1 12 12 SER H H . . . 1 1 10 10 ALA HA H . . . . . 3.125 1.8 4.45 . . . . . A . 12 SER H . . A . 10 ALA HA . . . 12 . HN . . . . . 10 . HA . . c18964_2m3i 1 37 1 . . 1 1 5 5 HIS H H . . . 1 1 9 9 SER HA H . . . . . 3.260 1.8 4.72 . . . . . A . 5 HIS H . . A . 9 SER HA . . . 5 . HN . . . . . 9 . HA . . c18964_2m3i 1 38 1 . . 1 1 9 9 SER H H . . . 1 1 8 8 CYS H H . . . . . 2.145 1.8 2.49 . . . . . A . 9 SER H . . A . 8 CYS H . . . 9 . HN . . . . . 8 . HN . . c18964_2m3i 1 39 1 . . 1 1 8 8 CYS H H . . . 1 1 8 8 CYS HB2 H . . . . . 2.905 1.8 4.01 . . . . . A . 8 CYS H . . A . 8 CYS HB2 . . . 8 . HN . . . . . 8 . HB2 . . c18964_2m3i 1 40 1 . . 1 1 8 8 CYS H H . . . 1 1 8 8 CYS HB3 H . . . . . 2.905 1.8 4.01 . . . . . A . 8 CYS H . . A . 8 CYS HB3 . . . 8 . HN . . . . . 8 . HB1 . . c18964_2m3i 1 41 1 . . 1 1 15 15 CYS H H . . . 1 1 13 13 PRO HA H . . . . . 2.845 1.8 3.89 . . . . . A . 15 CYS H . . A . 13 PRO HA . . . 15 . HN . . . . . 13 . HA . . c18964_2m3i 1 42 1 . . 1 1 2 2 CYS H H . . . 1 1 2 2 CYS HB2 H . . . . . 2.535 1.8 3.27 . . . . . A . 2 CYS H . . A . 2 CYS HB2 . . . 2 . HN . . . . . 2 . HB2 . . c18964_2m3i 1 43 1 . . 1 1 2 2 CYS H H . . . 1 1 2 2 CYS HB3 H . . . . . 2.535 1.8 3.27 . . . . . A . 2 CYS H . . A . 2 CYS HB3 . . . 2 . HN . . . . . 2 . HB1 . . c18964_2m3i 1 44 1 . . 1 1 3 3 CYS H H . . . 1 1 2 2 CYS H H . . . . . 2.690 1.8 3.58 . . . . . A . 3 CYS H . . A . 2 CYS H . . . 3 . HN . . . . . 2 . HN . . c18964_2m3i 1 45 1 . . 1 1 15 15 CYS H H . . . 1 1 14 14 ILE HG13 H . . . . . 3.650 1.8 5.50 . . . . . A . 15 CYS H . . A . 14 ILE HG13 . . . 15 . HN . . . . . 14 . HG11 . . c18964_2m3i 1 46 1 . . 1 1 15 15 CYS H H . . . 1 1 14 14 ILE HG12 H . . . . . 3.650 1.8 5.50 . . . . . A . 15 CYS H . . A . 14 ILE HG12 . . . 15 . HN . . . . . 14 . HG12 . . c18964_2m3i 1 47 1 . . 1 1 5 5 HIS HA H . . . 1 1 5 5 HIS HD2 H . . . . . 3.465 1.8 5.13 . . . . . A . 5 HIS HA . . A . 5 HIS HD2 . . . 5 . HA . . . . . 5 . HD2 . . c18964_2m3i 1 48 1 OR . 1 1 14 14 ILE H H . . . 1 1 13 13 PRO HD2 H . . . . . 3.395 1.8 4.99 . . . . . A . 14 ILE H . . A . 13 PRO HD2 . . . 14 . HN . . . . . 13 . HD# . . c18964_2m3i 1 48 2 OR . 1 1 14 14 ILE H H . . . 1 1 13 13 PRO HD3 H . . . . . 3.395 1.8 4.99 . . . . . A . 14 ILE H . . A . 13 PRO HD3 . . . 14 . HN . . . . . 13 . HD# . . c18964_2m3i 1 49 1 . . 1 1 11 11 MET H H . . . 1 1 11 11 MET HG3 H . . . . . 3.355 1.8 4.91 . . . . . A . 11 MET H . . A . 11 MET HG3 . . . 11 . HN . . . . . 11 . HG1 . . c18964_2m3i 1 50 1 . . 1 1 11 11 MET H H . . . 1 1 11 11 MET HG2 H . . . . . 3.355 1.8 4.91 . . . . . A . 11 MET H . . A . 11 MET HG2 . . . 11 . HN . . . . . 11 . HG2 . . c18964_2m3i 1 51 1 OR . 1 1 3 3 CYS HA H . . . 1 1 9 9 SER HB2 H . . . . . 3.595 1.8 5.39 . . . . . A . 3 CYS HA . . A . 9 SER HB2 . . . 3 . HA . . . . . 9 . HB# . . c18964_2m3i 1 51 2 OR . 1 1 3 3 CYS HA H . . . 1 1 9 9 SER HB3 H . . . . . 3.595 1.8 5.39 . . . . . A . 3 CYS HA . . A . 9 SER HB3 . . . 3 . HA . . . . . 9 . HB# . . c18964_2m3i 1 52 1 . . 1 1 15 15 CYS H H . . . 1 1 14 14 ILE MG H . . . . . 3.820 1.8 5.84 . . . . . A . 15 CYS H . . A . 14 ILE MG . . . 15 . HN . . . . . 14 . HG2# . . c18964_2m3i 1 53 1 . . 1 1 14 14 ILE H H . . . 1 1 14 14 ILE MG H . . . . . 3.200 1.8 4.60 . . . . . A . 14 ILE H . . A . 14 ILE MG . . . 14 . HN . . . . . 14 . HG2# . . c18964_2m3i 1 54 1 . . 1 1 7 7 VAL HA H . . . 1 1 10 10 ALA MB H . . . . . 3.525 1.8 5.25 . . . . . A . 7 VAL HA . . A . 10 ALA MB . . . 7 . HA . . . . . 10 . HB# . . c18964_2m3i 1 55 1 . . 1 1 10 10 ALA H H . . . 1 1 10 10 ALA MB H . . . . . 2.980 1.8 4.16 . . . . . A . 10 ALA H . . A . 10 ALA MB . . . 10 . HN . . . . . 10 . HB# . . c18964_2m3i 1 56 1 . . 1 1 9 9 SER H H . . . 1 1 10 10 ALA MB H . . . . . 4.160 1.8 6.52 . . . . . A . 9 SER H . . A . 10 ALA MB . . . 9 . HN . . . . . 10 . HB# . . c18964_2m3i 1 57 1 OR . 1 1 2 2 CYS H H . . . 1 1 2 2 CYS HB3 H . . . . . 2.285 1.8 2.77 . . . . . A . 2 CYS H . . A . 2 CYS HB3 . . . 2 . HN . . . . . 2 . HB# . . c18964_2m3i 1 57 2 OR . 1 1 2 2 CYS H H . . . 1 1 2 2 CYS HB2 H . . . . . 2.285 1.8 2.77 . . . . . A . 2 CYS H . . A . 2 CYS HB2 . . . 2 . HN . . . . . 2 . HB# . . c18964_2m3i 1 58 1 OR . 1 1 4 4 SER H H . . . 1 1 2 2 CYS HB3 H . . . . . 2.975 1.8 4.15 . . . . . A . 4 SER H . . A . 2 CYS HB3 . . . 4 . HN . . . . . 2 . HB# . . c18964_2m3i 1 58 2 OR . 1 1 4 4 SER H H . . . 1 1 2 2 CYS HB2 H . . . . . 2.975 1.8 4.15 . . . . . A . 4 SER H . . A . 2 CYS HB2 . . . 4 . HN . . . . . 2 . HB# . . c18964_2m3i 1 59 1 OR . 1 1 2 2 CYS HB2 H . . . 1 1 8 8 CYS HB3 H . . . . . 2.145 1.8 2.49 . . . . . A . 2 CYS HB2 . . A . 8 CYS HB3 . . . 2 . HB# . . . . . 8 . HB# . . c18964_2m3i 1 59 2 OR . 1 1 2 2 CYS HB3 H . . . 1 1 8 8 CYS HB3 H . . . . . 2.145 1.8 2.49 . . . . . A . 2 CYS HB3 . . A . 8 CYS HB3 . . . 2 . HB# . . . . . 8 . HB# . . c18964_2m3i 1 59 3 OR . 1 1 8 8 CYS HB2 H . . . 1 1 2 2 CYS HB3 H . . . . . 2.145 1.8 2.49 . . . . . A . 8 CYS HB2 . . A . 2 CYS HB3 . . . 8 . HB# . . . . . 2 . HB# . . c18964_2m3i 1 59 4 OR . 1 1 2 2 CYS HB2 H . . . 1 1 8 8 CYS HB2 H . . . . . 2.145 1.8 2.49 . . . . . A . 2 CYS HB2 . . A . 8 CYS HB2 . . . 2 . HB# . . . . . 8 . HB# . . c18964_2m3i 1 60 1 OR . 1 1 3 3 CYS H H . . . 1 1 3 3 CYS HB3 H . . . . . 2.305 1.8 2.81 . . . . . A . 3 CYS H . . A . 3 CYS HB3 . . . 3 . HN . . . . . 3 . HB# . . c18964_2m3i 1 60 2 OR . 1 1 3 3 CYS H H . . . 1 1 3 3 CYS HB2 H . . . . . 2.305 1.8 2.81 . . . . . A . 3 CYS H . . A . 3 CYS HB2 . . . 3 . HN . . . . . 3 . HB# . . c18964_2m3i 1 61 1 OR . 1 1 4 4 SER H H . . . 1 1 3 3 CYS HB3 H . . . . . 2.620 1.8 3.44 . . . . . A . 4 SER H . . A . 3 CYS HB3 . . . 4 . HN . . . . . 3 . HB# . . c18964_2m3i 1 61 2 OR . 1 1 4 4 SER H H . . . 1 1 3 3 CYS HB2 H . . . . . 2.620 1.8 3.44 . . . . . A . 4 SER H . . A . 3 CYS HB2 . . . 4 . HN . . . . . 3 . HB# . . c18964_2m3i 1 62 1 OR . 1 1 5 5 HIS H H . . . 1 1 5 5 HIS HB3 H . . . . . 2.235 1.8 2.67 . . . . . A . 5 HIS H . . A . 5 HIS HB3 . . . 5 . HN . . . . . 5 . HB# . . c18964_2m3i 1 62 2 OR . 1 1 5 5 HIS H H . . . 1 1 5 5 HIS HB2 H . . . . . 2.235 1.8 2.67 . . . . . A . 5 HIS H . . A . 5 HIS HB2 . . . 5 . HN . . . . . 5 . HB# . . c18964_2m3i 1 63 1 OR . 1 1 5 5 HIS HA H . . . 1 1 6 6 PRO HD2 H . . . . . 2.210 1.8 2.62 . . . . . A . 5 HIS HA . . A . 6 PRO HD2 . . . 5 . HA . . . . . 6 . HD# . . c18964_2m3i 1 63 2 OR . 1 1 5 5 HIS HA H . . . 1 1 6 6 PRO HD3 H . . . . . 2.210 1.8 2.62 . . . . . A . 5 HIS HA . . A . 6 PRO HD3 . . . 5 . HA . . . . . 6 . HD# . . c18964_2m3i 1 64 1 OR . 1 1 5 5 HIS HD2 H . . . 1 1 5 5 HIS HB3 H . . . . . 2.515 1.8 3.23 . . . . . A . 5 HIS HD2 . . A . 5 HIS HB3 . . . 5 . HD2 . . . . . 5 . HB# . . c18964_2m3i 1 64 2 OR . 1 1 5 5 HIS HD2 H . . . 1 1 5 5 HIS HB2 H . . . . . 2.515 1.8 3.23 . . . . . A . 5 HIS HD2 . . A . 5 HIS HB2 . . . 5 . HD2 . . . . . 5 . HB# . . c18964_2m3i 1 65 1 OR . 1 1 5 5 HIS HB2 H . . . 1 1 6 6 PRO HD2 H . . . . . 2.705 1.8 3.61 . . . . . A . 5 HIS HB2 . . A . 6 PRO HD2 . . . 5 . HB# . . . . . 6 . HD# . . c18964_2m3i 1 65 2 OR . 1 1 6 6 PRO HD3 H . . . 1 1 5 5 HIS HB3 H . . . . . 2.705 1.8 3.61 . . . . . A . 6 PRO HD3 . . A . 5 HIS HB3 . . . 6 . HD# . . . . . 5 . HB# . . c18964_2m3i 1 65 3 OR . 1 1 5 5 HIS HB2 H . . . 1 1 6 6 PRO HD3 H . . . . . 2.705 1.8 3.61 . . . . . A . 5 HIS HB2 . . A . 6 PRO HD3 . . . 5 . HB# . . . . . 6 . HD# . . c18964_2m3i 1 65 4 OR . 1 1 5 5 HIS HB3 H . . . 1 1 6 6 PRO HD2 H . . . . . 2.705 1.8 3.61 . . . . . A . 5 HIS HB3 . . A . 6 PRO HD2 . . . 5 . HB# . . . . . 6 . HD# . . c18964_2m3i 1 66 1 OR . 1 1 8 8 CYS H H . . . 1 1 8 8 CYS HB3 H . . . . . 2.590 1.8 3.38 . . . . . A . 8 CYS H . . A . 8 CYS HB3 . . . 8 . HN . . . . . 8 . HB# . . c18964_2m3i 1 66 2 OR . 1 1 8 8 CYS H H . . . 1 1 8 8 CYS HB2 H . . . . . 2.590 1.8 3.38 . . . . . A . 8 CYS H . . A . 8 CYS HB2 . . . 8 . HN . . . . . 8 . HB# . . c18964_2m3i 1 67 1 OR . 1 1 9 9 SER H H . . . 1 1 8 8 CYS HB3 H . . . . . 2.380 1.8 2.96 . . . . . A . 9 SER H . . A . 8 CYS HB3 . . . 9 . HN . . . . . 8 . HB# . . c18964_2m3i 1 67 2 OR . 1 1 9 9 SER H H . . . 1 1 8 8 CYS HB2 H . . . . . 2.380 1.8 2.96 . . . . . A . 9 SER H . . A . 8 CYS HB2 . . . 9 . HN . . . . . 8 . HB# . . c18964_2m3i 1 68 1 OR . 1 1 9 9 SER HA H . . . 1 1 15 15 CYS HB3 H . . . . . 3.080 1.8 4.36 . . . . . A . 9 SER HA . . A . 15 CYS HB3 . . . 9 . HA . . . . . 15 . HB# . . c18964_2m3i 1 68 2 OR . 1 1 9 9 SER HA H . . . 1 1 15 15 CYS HB2 H . . . . . 3.080 1.8 4.36 . . . . . A . 9 SER HA . . A . 15 CYS HB2 . . . 9 . HA . . . . . 15 . HB# . . c18964_2m3i 1 69 1 OR . 1 1 10 10 ALA HA H . . . 1 1 13 13 PRO HG2 H . . . . . 3.105 1.8 4.41 . . . . . A . 10 ALA HA . . A . 13 PRO HG2 . . . 10 . HA . . . . . 13 . HG# . . c18964_2m3i 1 69 2 OR . 1 1 10 10 ALA HA H . . . 1 1 13 13 PRO HG3 H . . . . . 3.105 1.8 4.41 . . . . . A . 10 ALA HA . . A . 13 PRO HG3 . . . 10 . HA . . . . . 13 . HG# . . c18964_2m3i 1 70 1 OR . 1 1 11 11 MET H H . . . 1 1 11 11 MET HB2 H . . . . . 2.360 1.8 2.92 . . . . . A . 11 MET H . . A . 11 MET HB2 . . . 11 . HN . . . . . 11 . HB# . . c18964_2m3i 1 70 2 OR . 1 1 11 11 MET H H . . . 1 1 11 11 MET HB3 H . . . . . 2.360 1.8 2.92 . . . . . A . 11 MET H . . A . 11 MET HB3 . . . 11 . HN . . . . . 11 . HB# . . c18964_2m3i 1 71 1 OR . 1 1 11 11 MET H H . . . 1 1 11 11 MET HG3 H . . . . . 3.025 1.8 4.25 . . . . . A . 11 MET H . . A . 11 MET HG3 . . . 11 . HN . . . . . 11 . HG# . . c18964_2m3i 1 71 2 OR . 1 1 11 11 MET H H . . . 1 1 11 11 MET HG2 H . . . . . 3.025 1.8 4.25 . . . . . A . 11 MET H . . A . 11 MET HG2 . . . 11 . HN . . . . . 11 . HG# . . c18964_2m3i 1 72 1 OR . 1 1 12 12 SER H H . . . 1 1 11 11 MET HB2 H . . . . . 2.700 1.8 3.60 . . . . . A . 12 SER H . . A . 11 MET HB2 . . . 12 . HN . . . . . 11 . HB# . . c18964_2m3i 1 72 2 OR . 1 1 12 12 SER H H . . . 1 1 11 11 MET HB3 H . . . . . 2.700 1.8 3.60 . . . . . A . 12 SER H . . A . 11 MET HB3 . . . 12 . HN . . . . . 11 . HB# . . c18964_2m3i 1 73 1 OR . 1 1 12 12 SER HA H . . . 1 1 12 12 SER HB3 H . . . . . 2.090 1.8 2.38 . . . . . A . 12 SER HA . . A . 12 SER HB3 . . . 12 . HA . . . . . 12 . HB# . . c18964_2m3i 1 73 2 OR . 1 1 12 12 SER HA H . . . 1 1 12 12 SER HB2 H . . . . . 2.090 1.8 2.38 . . . . . A . 12 SER HA . . A . 12 SER HB2 . . . 12 . HA . . . . . 12 . HB# . . c18964_2m3i 1 74 1 OR . 1 1 14 14 ILE H H . . . 1 1 12 12 SER HB3 H . . . . . 2.750 1.8 3.70 . . . . . A . 14 ILE H . . A . 12 SER HB3 . . . 14 . HN . . . . . 12 . HB# . . c18964_2m3i 1 74 2 OR . 1 1 14 14 ILE H H . . . 1 1 12 12 SER HB2 H . . . . . 2.750 1.8 3.70 . . . . . A . 14 ILE H . . A . 12 SER HB2 . . . 14 . HN . . . . . 12 . HB# . . c18964_2m3i 1 75 1 OR . 1 1 15 15 CYS H H . . . 1 1 12 12 SER HB3 H . . . . . 2.710 1.8 3.62 . . . . . A . 15 CYS H . . A . 12 SER HB3 . . . 15 . HN . . . . . 12 . HB# . . c18964_2m3i 1 75 2 OR . 1 1 15 15 CYS H H . . . 1 1 12 12 SER HB2 H . . . . . 2.710 1.8 3.62 . . . . . A . 15 CYS H . . A . 12 SER HB2 . . . 15 . HN . . . . . 12 . HB# . . c18964_2m3i 1 76 1 OR . 1 1 14 14 ILE H H . . . 1 1 13 13 PRO HG2 H . . . . . 2.555 1.8 3.31 . . . . . A . 14 ILE H . . A . 13 PRO HG2 . . . 14 . HN . . . . . 13 . HG# . . c18964_2m3i 1 76 2 OR . 1 1 14 14 ILE H H . . . 1 1 13 13 PRO HG3 H . . . . . 2.555 1.8 3.31 . . . . . A . 14 ILE H . . A . 13 PRO HG3 . . . 14 . HN . . . . . 13 . HG# . . c18964_2m3i 1 77 1 OR . 1 1 14 14 ILE H H . . . 1 1 14 14 ILE HG13 H . . . . . 2.520 1.8 3.24 . . . . . A . 14 ILE H . . A . 14 ILE HG13 . . . 14 . HN . . . . . 14 . HG1# . . c18964_2m3i 1 77 2 OR . 1 1 14 14 ILE H H . . . 1 1 14 14 ILE HG12 H . . . . . 2.520 1.8 3.24 . . . . . A . 14 ILE H . . A . 14 ILE HG12 . . . 14 . HN . . . . . 14 . HG1# . . c18964_2m3i 1 78 1 OR . 1 1 15 15 CYS H H . . . 1 1 15 15 CYS HB3 H . . . . . 2.185 1.8 2.57 . . . . . A . 15 CYS H . . A . 15 CYS HB3 . . . 15 . HN . . . . . 15 . HB# . . c18964_2m3i 1 78 2 OR . 1 1 15 15 CYS H H . . . 1 1 15 15 CYS HB2 H . . . . . 2.185 1.8 2.57 . . . . . A . 15 CYS H . . A . 15 CYS HB2 . . . 15 . HN . . . . . 15 . HB# . . c18964_2m3i 1 stop_ loop_ _Gen_dist_constraint_parse_err.ID _Gen_dist_constraint_parse_err.Content _Gen_dist_constraint_parse_err.Begin_line _Gen_dist_constraint_parse_err.Begin_column _Gen_dist_constraint_parse_err.End_line _Gen_dist_constraint_parse_err.End_column _Gen_dist_constraint_parse_err.Entry_ID _Gen_dist_constraint_parse_err.Gen_dist_constraint_list_ID 1 '# H proton - H proton' 1 1 1 21 c18964_2m3i 1 stop_ save_ save_CNS/XPLOR_dihedral_3 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Sf_framecode CNS/XPLOR_dihedral_3 _Torsion_angle_constraint_list.Entry_ID c18964_2m3i _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Details 'Generated by Wattos' _Torsion_angle_constraint_list.Constraint_file_ID 1 _Torsion_angle_constraint_list.Block_ID 3 loop_ _Torsion_angle_constraint_software.Software_ID _Torsion_angle_constraint_software.Software_label _Torsion_angle_constraint_software.Method_ID _Torsion_angle_constraint_software.Method_label _Torsion_angle_constraint_software.Entry_ID _Torsion_angle_constraint_software.Torsion_angle_constraint_list_ID . . . . c18964_2m3i 1 stop_ loop_ _Torsion_angle_constraint.ID _Torsion_angle_constraint.Torsion_angle_name _Torsion_angle_constraint.Assembly_atom_ID_1 _Torsion_angle_constraint.Entity_assembly_ID_1 _Torsion_angle_constraint.Entity_ID_1 _Torsion_angle_constraint.Comp_index_ID_1 _Torsion_angle_constraint.Seq_ID_1 _Torsion_angle_constraint.Comp_ID_1 _Torsion_angle_constraint.Atom_ID_1 _Torsion_angle_constraint.Atom_type_1 _Torsion_angle_constraint.Resonance_ID_1 _Torsion_angle_constraint.Assembly_atom_ID_2 _Torsion_angle_constraint.Entity_assembly_ID_2 _Torsion_angle_constraint.Entity_ID_2 _Torsion_angle_constraint.Comp_index_ID_2 _Torsion_angle_constraint.Seq_ID_2 _Torsion_angle_constraint.Comp_ID_2 _Torsion_angle_constraint.Atom_ID_2 _Torsion_angle_constraint.Atom_type_2 _Torsion_angle_constraint.Resonance_ID_2 _Torsion_angle_constraint.Assembly_atom_ID_3 _Torsion_angle_constraint.Entity_assembly_ID_3 _Torsion_angle_constraint.Entity_ID_3 _Torsion_angle_constraint.Comp_index_ID_3 _Torsion_angle_constraint.Seq_ID_3 _Torsion_angle_constraint.Comp_ID_3 _Torsion_angle_constraint.Atom_ID_3 _Torsion_angle_constraint.Atom_type_3 _Torsion_angle_constraint.Resonance_ID_3 _Torsion_angle_constraint.Assembly_atom_ID_4 _Torsion_angle_constraint.Entity_assembly_ID_4 _Torsion_angle_constraint.Entity_ID_4 _Torsion_angle_constraint.Comp_index_ID_4 _Torsion_angle_constraint.Seq_ID_4 _Torsion_angle_constraint.Comp_ID_4 _Torsion_angle_constraint.Atom_ID_4 _Torsion_angle_constraint.Atom_type_4 _Torsion_angle_constraint.Resonance_ID_4 _Torsion_angle_constraint.Angle_lower_bound_val _Torsion_angle_constraint.Angle_upper_bound_val _Torsion_angle_constraint.Source_experiment_ID _Torsion_angle_constraint.PDB_record_ID_1 _Torsion_angle_constraint.PDB_model_num_1 _Torsion_angle_constraint.PDB_strand_ID_1 _Torsion_angle_constraint.PDB_ins_code_1 _Torsion_angle_constraint.PDB_residue_no_1 _Torsion_angle_constraint.PDB_residue_name_1 _Torsion_angle_constraint.PDB_atom_name_1 _Torsion_angle_constraint.PDB_record_ID_2 _Torsion_angle_constraint.PDB_model_num_2 _Torsion_angle_constraint.PDB_strand_ID_2 _Torsion_angle_constraint.PDB_ins_code_2 _Torsion_angle_constraint.PDB_residue_no_2 _Torsion_angle_constraint.PDB_residue_name_2 _Torsion_angle_constraint.PDB_atom_name_2 _Torsion_angle_constraint.PDB_record_ID_3 _Torsion_angle_constraint.PDB_model_num_3 _Torsion_angle_constraint.PDB_strand_ID_3 _Torsion_angle_constraint.PDB_ins_code_3 _Torsion_angle_constraint.PDB_residue_no_3 _Torsion_angle_constraint.PDB_residue_name_3 _Torsion_angle_constraint.PDB_atom_name_3 _Torsion_angle_constraint.PDB_record_ID_4 _Torsion_angle_constraint.PDB_model_num_4 _Torsion_angle_constraint.PDB_strand_ID_4 _Torsion_angle_constraint.PDB_ins_code_4 _Torsion_angle_constraint.PDB_residue_no_4 _Torsion_angle_constraint.PDB_residue_name_4 _Torsion_angle_constraint.PDB_atom_name_4 _Torsion_angle_constraint.Auth_entity_assembly_ID_1 _Torsion_angle_constraint.Auth_asym_ID_1 _Torsion_angle_constraint.Auth_chain_ID_1 _Torsion_angle_constraint.Auth_seq_ID_1 _Torsion_angle_constraint.Auth_comp_ID_1 _Torsion_angle_constraint.Auth_atom_ID_1 _Torsion_angle_constraint.Auth_alt_ID_1 _Torsion_angle_constraint.Auth_atom_name_1 _Torsion_angle_constraint.Auth_entity_assembly_ID_2 _Torsion_angle_constraint.Auth_asym_ID_2 _Torsion_angle_constraint.Auth_chain_ID_2 _Torsion_angle_constraint.Auth_seq_ID_2 _Torsion_angle_constraint.Auth_comp_ID_2 _Torsion_angle_constraint.Auth_atom_ID_2 _Torsion_angle_constraint.Auth_alt_ID_2 _Torsion_angle_constraint.Auth_atom_name_2 _Torsion_angle_constraint.Auth_entity_assembly_ID_3 _Torsion_angle_constraint.Auth_asym_ID_3 _Torsion_angle_constraint.Auth_chain_ID_3 _Torsion_angle_constraint.Auth_seq_ID_3 _Torsion_angle_constraint.Auth_comp_ID_3 _Torsion_angle_constraint.Auth_atom_ID_3 _Torsion_angle_constraint.Auth_alt_ID_3 _Torsion_angle_constraint.Auth_atom_name_3 _Torsion_angle_constraint.Auth_entity_assembly_ID_4 _Torsion_angle_constraint.Auth_asym_ID_4 _Torsion_angle_constraint.Auth_chain_ID_4 _Torsion_angle_constraint.Auth_seq_ID_4 _Torsion_angle_constraint.Auth_comp_ID_4 _Torsion_angle_constraint.Auth_atom_ID_4 _Torsion_angle_constraint.Auth_alt_ID_4 _Torsion_angle_constraint.Auth_atom_name_4 _Torsion_angle_constraint.Entry_ID _Torsion_angle_constraint.Torsion_angle_constraint_list_ID 1 . . 1 1 3 3 CYS C C . . 1 1 4 4 SER N N . . 1 1 4 4 SER CA C . . 1 1 4 4 SER C C . -160.0 -80.0 . . . A . 3 CYS C . . A . 4 SER N . . A . 4 SER CA . . A . 4 SER C . . . 3 . C . . . . . 4 . N . . . . . 4 . CA . . . . . 4 . C . . c18964_2m3i 1 2 . . 1 1 6 6 PRO C C . . 1 1 7 7 VAL N N . . 1 1 7 7 VAL CA C . . 1 1 7 7 VAL C C . -90.0 -30.0 . . . A . 6 PRO C . . A . 7 VAL N . . A . 7 VAL CA . . A . 7 VAL C . . . 6 . C . . . . . 7 . N . . . . . 7 . CA . . . . . 7 . C . . c18964_2m3i 1 3 . . 1 1 8 8 CYS C C . . 1 1 9 9 SER N N . . 1 1 9 9 SER CA C . . 1 1 9 9 SER C C . -90.0 -30.0 . . . A . 8 CYS C . . A . 9 SER N . . A . 9 SER CA . . A . 9 SER C . . . 8 . C . . . . . 9 . N . . . . . 9 . CA . . . . . 9 . C . . c18964_2m3i 1 4 . . 1 1 11 11 MET C C . . 1 1 12 12 SER N N . . 1 1 12 12 SER CA C . . 1 1 12 12 SER C C . -160.0 -80.0 . . . A . 11 MET C . . A . 12 SER N . . A . 12 SER CA . . A . 12 SER C . . . 11 . C . . . . . 12 . N . . . . . 12 . CA . . . . . 12 . C . . c18964_2m3i 1 5 . . 1 1 14 14 ILE C C . . 1 1 15 15 CYS N N . . 1 1 15 15 CYS CA C . . 1 1 15 15 CYS C C . -180.0 -20.0 . . . A . 14 ILE C . . A . 15 CYS N . . A . 15 CYS CA . . A . 15 CYS C . . . 14 . C . . . . . 15 . N . . . . . 15 . CA . . . . . 15 . C . . c18964_2m3i 1 stop_ loop_ _TA_constraint_parse_err.ID _TA_constraint_parse_err.Content _TA_constraint_parse_err.Begin_line _TA_constraint_parse_err.Begin_column _TA_constraint_parse_err.End_line _TA_constraint_parse_err.End_column _TA_constraint_parse_err.Entry_ID _TA_constraint_parse_err.Torsion_angle_constraint_list_ID 1 '# Dihedral angles' 1 1 1 17 c18964_2m3i 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 c18964_2m3i _Org_constr_file_comment.ID 1 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 1 _Org_constr_file_comment.Details 'Generated by Wattos' _Org_constr_file_comment.Comment ; *HEADER TOXIN 20-JAN-13 2M3I *TITLE CHARACTERIZATION OF A NOVEL ALPHA4/6-CONOTOXIN TXIC FROM CONUS TEXTILE *TITLE 2 THAT POTENTLY BLOCKS ALPHA3BETA4 NICOTINIC ACETYLCHOLINE RECEPTORS *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: ALPHA-CONOTOXIN; *COMPND 3 CHAIN: A; *COMPND 4 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 ORGANISM_SCIENTIFIC: CONUS LIVIDUS; *SOURCE 4 ORGANISM_TAXID: 89426 *KEYWDS ALPHA-CONOTOXIN, ALPHA-HELIX, DISULFIDE BONDS, AMIDATED C-TERMINUS, *KEYWDS 2 TOXIN *EXPDTA SOLUTION NMR *NUMMDL 20 *AUTHOR S.LUO, D.ZHANGSUN, X.ZHU, Y.WU, Y.HU, S.CHRISTENSEN, M.AKCAN, *AUTHOR 2 D.J.CRAIK, J.M.MCINTOSH *REVDAT 1 04-DEC-13 2M3I 0 ; save_