data_c30244_5us3 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID c30244_5us3 _Entry.Title ; Heterogeneous-backbone Foldamer Mimic of the Sp1-3 Zinc Finger ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-02-13 _Entry.Accession_date 2017-02-13 _Entry.Last_release_date 2017-05-10 _Entry.Original_release_date 2017-05-10 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 K. George K. L. . . c30244_5us3 2 W. Horne W. S. . . c30244_5us3 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID foldamer . c30244_5us3 'heterogeneous backbone' . c30244_5us3 'zinc finger' . c30244_5us3 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 c30244_5us3 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 213 c30244_5us3 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 . . 2017-05-25 . original BMRB . c30244_5us3 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5US3 'BMRB Entry Tracking System' c30244_5us3 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID c30244_5us3 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 28509549 _Citation.Full_citation . _Citation.Title ; Heterogeneous-Backbone Foldamer Mimics of Zinc Finger Tertiary Structure ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Am. Chem. Soc.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _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 2017 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 K. George K. L. . . c30244_5us3 1 2 W. Horne W. S. . . c30244_5us3 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID c30244_5us3 _Assembly.ID 1 _Assembly.Name 'Heterogeneous-backbone Foldamer Mimic of the Sp1-3 Zinc Finger' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details ; Heterogeneous-Backbone Variant of the Sp1-3 Zinc Finger: N-Me-Ala3, N-Me-Arg10, beta-3-Asp15, beta-3-Lys19, beta3-Lys22, beta-3-Gln25 ; _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . . . c30244_5us3 1 2 entity_2 2 $entity_ZN B A no . . . . . . c30244_5us3 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 coordination single . 1 . 1 CYS 4 4 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . c30244_5us3 1 2 coordination single . 1 . 1 CYS 7 7 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . c30244_5us3 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID c30244_5us3 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; KYXCPECPKXFXRSXHLSXH IXTHXNKKX ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer yes _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 29 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method syn _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 3484.174 _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 . LYS . c30244_5us3 1 2 . TYR . c30244_5us3 1 3 . MAA . c30244_5us3 1 4 . CYS . c30244_5us3 1 5 . PRO . c30244_5us3 1 6 . GLU . c30244_5us3 1 7 . CYS . c30244_5us3 1 8 . PRO . c30244_5us3 1 9 . LYS . c30244_5us3 1 10 . MMO . c30244_5us3 1 11 . PHE . c30244_5us3 1 12 . NLE . c30244_5us3 1 13 . ARG . c30244_5us3 1 14 . SER . c30244_5us3 1 15 . B3D . c30244_5us3 1 16 . HIS . c30244_5us3 1 17 . LEU . c30244_5us3 1 18 . SER . c30244_5us3 1 19 . B3K . c30244_5us3 1 20 . HIS . c30244_5us3 1 21 . ILE . c30244_5us3 1 22 . B3K . c30244_5us3 1 23 . THR . c30244_5us3 1 24 . HIS . c30244_5us3 1 25 . B3Q . c30244_5us3 1 26 . ASN . c30244_5us3 1 27 . LYS . c30244_5us3 1 28 . LYS . c30244_5us3 1 29 . NH2 . c30244_5us3 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 . LYS 1 1 c30244_5us3 1 . TYR 2 2 c30244_5us3 1 . MAA 3 3 c30244_5us3 1 . CYS 4 4 c30244_5us3 1 . PRO 5 5 c30244_5us3 1 . GLU 6 6 c30244_5us3 1 . CYS 7 7 c30244_5us3 1 . PRO 8 8 c30244_5us3 1 . LYS 9 9 c30244_5us3 1 . MMO 10 10 c30244_5us3 1 . PHE 11 11 c30244_5us3 1 . NLE 12 12 c30244_5us3 1 . ARG 13 13 c30244_5us3 1 . SER 14 14 c30244_5us3 1 . B3D 15 15 c30244_5us3 1 . HIS 16 16 c30244_5us3 1 . LEU 17 17 c30244_5us3 1 . SER 18 18 c30244_5us3 1 . B3K 19 19 c30244_5us3 1 . HIS 20 20 c30244_5us3 1 . ILE 21 21 c30244_5us3 1 . B3K 22 22 c30244_5us3 1 . THR 23 23 c30244_5us3 1 . HIS 24 24 c30244_5us3 1 . B3Q 25 25 c30244_5us3 1 . ASN 26 26 c30244_5us3 1 . LYS 27 27 c30244_5us3 1 . LYS 28 28 c30244_5us3 1 . NH2 29 29 c30244_5us3 1 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID c30244_5us3 _Entity.ID 2 _Entity.BMRB_code ZN _Entity.Name entity_ZN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 65.409 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ZINC ION' BMRB c30244_5us3 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'ZINC ION' BMRB c30244_5us3 2 ZN 'Three letter code' c30244_5us3 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 ZN $chem_comp_ZN c30244_5us3 2 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 c30244_5us3 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . c30244_5us3 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 c30244_5us3 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'chemical synthesis' . . . . . . . . . . . . . . . . c30244_5us3 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID c30244_5us3 _Chem_comp.ID ZN _Chem_comp.Provenance PDB _Chem_comp.Name 'ZINC ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ZN _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _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 ZN _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InCHi_code InChI=1S/Zn/q+2 _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 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _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 . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _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=1S/Zn/q+2 InChI InChI 1.03 c30244_5us3 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 c30244_5us3 ZN [Zn++] SMILES CACTVS 3.341 c30244_5us3 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 c30244_5us3 ZN [Zn+2] SMILES ACDLabs 10.04 c30244_5us3 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 c30244_5us3 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 c30244_5us3 ZN 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 zinc 'SYSTEMATIC NAME' ACDLabs 10.04 c30244_5us3 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 c30244_5us3 ZN 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 ZN ZN ZN ZN . ZN . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . c30244_5us3 ZN stop_ save_ save_chem_comp_B3D _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_B3D _Chem_comp.Entry_ID c30244_5us3 _Chem_comp.ID B3D _Chem_comp.Provenance PDB _Chem_comp.Name '3-AMINOPENTANEDIOIC ACID' _Chem_comp.Type PEPTIDE-LIKE _Chem_comp.BMRB_code B3D _Chem_comp.PDB_code B3D _Chem_comp.Ambiguous_flag no _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 D _Chem_comp.Three_letter_code B3D _Chem_comp.Number_atoms_all 19 _Chem_comp.Number_atoms_nh 10 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InCHi_code InChI=1S/C5H9NO4/c6-3(1-4(7)8)2-5(9)10/h3H,1-2,6H2,(H,7,8)(H,9,10) _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 ASP _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 BETA-HOMOASPARTATE _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C5 H9 N O4' _Chem_comp.Formula_weight 147.129 _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 Corina _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _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 BBJIPMIXTXKYLZ-UHFFFAOYSA-N InChIKey InChI 1.03 c30244_5us3 B3D C(C(CC(=O)O)N)C(=O)O SMILES 'OpenEye OEToolkits' 1.7.6 c30244_5us3 B3D C(C(CC(=O)O)N)C(=O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.7.6 c30244_5us3 B3D InChI=1S/C5H9NO4/c6-3(1-4(7)8)2-5(9)10/h3H,1-2,6H2,(H,7,8)(H,9,10) InChI InChI 1.03 c30244_5us3 B3D NC(CC(O)=O)CC(O)=O SMILES CACTVS 3.370 c30244_5us3 B3D NC(CC(O)=O)CC(O)=O SMILES_CANONICAL CACTVS 3.370 c30244_5us3 B3D O=C(O)CC(N)CC(=O)O SMILES ACDLabs 12.01 c30244_5us3 B3D 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 '3-aminopentanedioic acid' 'SYSTEMATIC NAME' ACDLabs 12.01 c30244_5us3 B3D '3-azanylpentanedioic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.7.6 c30244_5us3 B3D 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 OE1 OE1 OE1 OE1 . O . . N 0 . . . 1 no no . . . . -3.773 . -8.508 . -0.815 . 3.689 -0.647 0.077 1 . c30244_5us3 B3D CD CD CD CD . C . . N 0 . . . 1 no no . . . . -2.684 . -8.200 . -1.360 . 2.471 -0.086 0.147 2 . c30244_5us3 B3D OE2 OE2 OE2 OE2 . O . . N 0 . . . 1 no no . . . . -2.435 . -8.502 . -2.546 . 2.360 1.085 0.421 3 . c30244_5us3 B3D CG CG CG CG . C . . N 0 . . . 1 no no . . . . -1.591 . -7.486 . -0.614 . 1.242 -0.918 -0.117 4 . c30244_5us3 B3D CB CB CB CB . C . . N 0 . . . 1 no no . . . . -1.931 . -6.074 . -0.121 . -0.005 -0.045 0.025 5 . c30244_5us3 B3D N N N N . N . . N 0 . . . 1 no no . . . . -2.878 . -5.366 . -0.972 . -0.003 0.987 -1.020 6 . c30244_5us3 B3D CA CA CA CA . C . . N 0 . . . 1 no no . . . . -0.617 . -5.300 . -0.074 . -1.256 -0.914 -0.120 7 . c30244_5us3 B3D C C C C . C . . N 0 . . . 1 no no . . . . -0.677 . -4.342 . 1.091 . -2.482 -0.078 0.142 8 . c30244_5us3 B3D O O O O . O . . N 0 . . . 1 no no . . . . -0.421 . -4.723 . 2.241 . -2.368 1.093 0.417 9 . c30244_5us3 B3D OXT OXT OXT OXT . O . . N 0 . . . 1 no yes . . . . -1.038 . -3.093 . 0.784 . -3.702 -0.634 0.071 10 . c30244_5us3 B3D HE1 HE1 HE1 HOE1 . H . . N 0 . . . 1 no no . . . . -4.318 . -8.976 . -1.437 . 4.447 -0.073 0.255 11 . c30244_5us3 B3D HG3 HG3 HG3 HG1 . H . . N 0 . . . 1 no no . . . . -1.327 . -8.095 . 0.263 . 1.288 -1.324 -1.128 12 . c30244_5us3 B3D HG2 HG2 HG2 HG2 . H . . N 0 . . . 1 no no . . . . -0.721 . -7.410 . -1.282 . 1.197 -1.737 0.601 13 . c30244_5us3 B3D HB HB HB HB . H . . N 0 . . . 1 no no . . . . -2.334 . -6.146 . 0.900 . -0.005 0.431 1.006 14 . c30244_5us3 B3D H H H HN1 . H . . N 0 . . . 1 no no . . . . -3.053 . -4.457 . -0.593 . 0.780 1.615 -0.907 15 . c30244_5us3 B3D H2 H2 H2 HN2 . H . . N 0 . . . 1 no yes . . . . -2.496 . -5.275 . -1.892 . -0.003 0.571 -1.939 16 . c30244_5us3 B3D HA1 HA1 HA1 HA1 . H . . N 0 . . . 1 no no . . . . 0.222 . -5.998 . 0.061 . -1.302 -1.319 -1.130 17 . c30244_5us3 B3D HA2 HA2 HA2 HA2 . H . . N 0 . . . 1 no no . . . . -0.481 . -4.740 . -1.011 . -1.214 -1.733 0.599 18 . c30244_5us3 B3D HXT HXT HXT HXT . H . . N 0 . . . 1 no yes . . . . -1.063 . -2.567 . 1.575 . -4.458 -0.058 0.247 19 . c30244_5us3 B3D 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 OE1 CD no N 1 . c30244_5us3 B3D 2 . SING OE1 HE1 no N 2 . c30244_5us3 B3D 3 . DOUB CD OE2 no N 3 . c30244_5us3 B3D 4 . SING CD CG no N 4 . c30244_5us3 B3D 5 . SING CG CB no N 5 . c30244_5us3 B3D 6 . SING CG HG3 no N 6 . c30244_5us3 B3D 7 . SING CG HG2 no N 7 . c30244_5us3 B3D 8 . SING CB N no N 8 . c30244_5us3 B3D 9 . SING CB CA no N 9 . c30244_5us3 B3D 10 . SING CB HB no N 10 . c30244_5us3 B3D 11 . SING N H no N 11 . c30244_5us3 B3D 12 . SING N H2 no N 12 . c30244_5us3 B3D 13 . SING CA C no N 13 . c30244_5us3 B3D 14 . SING CA HA1 no N 14 . c30244_5us3 B3D 15 . SING CA HA2 no N 15 . c30244_5us3 B3D 16 . SING C OXT no N 16 . c30244_5us3 B3D 17 . DOUB C O no N 17 . c30244_5us3 B3D 18 . SING OXT HXT no N 18 . c30244_5us3 B3D stop_ save_ save_chem_comp_B3K _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_B3K _Chem_comp.Entry_ID c30244_5us3 _Chem_comp.ID B3K _Chem_comp.Provenance PDB _Chem_comp.Name '(3S)-3,7-DIAMINOHEPTANOIC ACID' _Chem_comp.Type 'L-PEPTIDE LINKING' _Chem_comp.BMRB_code B3K _Chem_comp.PDB_code B3K _Chem_comp.Ambiguous_flag no _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 K _Chem_comp.Three_letter_code B3K _Chem_comp.Number_atoms_all 27 _Chem_comp.Number_atoms_nh 11 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InCHi_code InChI=1S/C7H16N2O2/c8-4-2-1-3-6(9)5-7(10)11/h6H,1-5,8-9H2,(H,10,11)/t6-/m0/s1 _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 LYS _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 'C7 H16 N2 O2' _Chem_comp.Formula_weight 160.214 _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 V1.4.2' _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _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 C(CCN)CC(CC(=O)O)N SMILES 'OpenEye OEToolkits' 1.5.0 c30244_5us3 B3K C(CCN)C[C@@H](CC(=O)O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 c30244_5us3 B3K InChI=1S/C7H16N2O2/c8-4-2-1-3-6(9)5-7(10)11/h6H,1-5,8-9H2,(H,10,11)/t6-/m0/s1 InChI InChI 1.03 c30244_5us3 B3K NCCCC[C@H](N)CC(O)=O SMILES_CANONICAL CACTVS 3.341 c30244_5us3 B3K NCCCC[CH](N)CC(O)=O SMILES CACTVS 3.341 c30244_5us3 B3K O=C(O)CC(N)CCCCN SMILES ACDLabs 10.04 c30244_5us3 B3K PJDINCOFOROBQW-LURJTMIESA-N InChIKey InChI 1.03 c30244_5us3 B3K 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 '(3S)-3,7-diaminoheptanoic acid' 'SYSTEMATIC NAME' ACDLabs 10.04 c30244_5us3 B3K '(3S)-3,7-diaminoheptanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 c30244_5us3 B3K stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID N N N N . N . . N 0 . . . 1 no no . . . . -4.637 . -7.266 . 29.890 . 0.348 -3.287 -0.934 1 . c30244_5us3 B3K CB CB CB CB . C . . S 0 . . . 1 no no . . . . -4.334 . -8.529 . 30.560 . 0.720 -2.031 -0.275 2 . c30244_5us3 B3K CG CG CG CG . C . . N 0 . . . 1 no no . . . . -4.810 . -9.671 . 29.699 . 2.199 -1.706 -0.570 3 . c30244_5us3 B3K CD CD CD CD . C . . N 0 . . . 1 no no . . . . -6.288 . -9.600 . 29.401 . 3.214 -2.740 -0.063 4 . c30244_5us3 B3K CE CE CE CE . C . . N 0 . . . 1 no no . . . . -6.541 . -9.873 . 27.927 . 4.670 -2.338 -0.313 5 . c30244_5us3 B3K CF CF CF CF . C . . N 0 . . . 1 no no . . . . -6.958 . -11.287 . 27.644 . 5.633 -3.392 0.233 6 . c30244_5us3 B3K NZ NZ NZ NZ . N . . N 0 . . . 1 no no . . . . -7.572 . -11.356 . 26.331 . 7.013 -3.002 -0.031 7 . c30244_5us3 B3K CA CA CA CA . C . . N 0 . . . 1 no no . . . . -2.864 . -8.813 . 30.822 . -0.211 -0.910 -0.769 8 . c30244_5us3 B3K C C C C . C . . N 0 . . . 1 no no . . . . -2.336 . -8.086 . 32.051 . 0.063 0.418 -0.101 9 . c30244_5us3 B3K O O O O . O . . N 0 . . . 1 no no . . . . -2.663 . -8.462 . 33.167 . 0.516 0.579 1.022 10 . c30244_5us3 B3K OXT OXT OXT OXT . O . . N 0 . . . 1 no yes . . . . -1.525 . -7.056 . 31.828 . -0.232 1.437 -0.948 11 . c30244_5us3 B3K H H H 1HN . H . . N 0 . . . 1 no no . . . . -4.706 . -6.536 . 30.570 . 0.329 -3.300 -1.928 12 . c30244_5us3 B3K H2 H2 H2 2HN . H . . N 0 . . . 1 no yes . . . . -3.907 . -7.049 . 29.241 . -0.061 -4.000 -0.374 13 . c30244_5us3 B3K HB HB HB HB . H . . N 0 . . . 1 no no . . . . -4.838 . -8.438 . 31.533 . 0.582 -2.160 0.804 14 . c30244_5us3 B3K HG2 HG2 HG2 1HG . H . . N 0 . . . 1 no no . . . . -4.608 . -10.613 . 30.229 . 2.341 -1.588 -1.651 15 . c30244_5us3 B3K HG3 HG3 HG3 2HG . H . . N 0 . . . 1 no no . . . . -4.273 . -9.613 . 28.741 . 2.454 -0.735 -0.124 16 . c30244_5us3 B3K HD2 HD2 HD2 1HD . H . . N 0 . . . 1 no no . . . . -6.660 . -8.596 . 29.652 . 3.017 -3.719 -0.517 17 . c30244_5us3 B3K HD3 HD3 HD3 2HD . H . . N 0 . . . 1 no no . . . . -6.812 . -10.358 . 30.002 . 3.058 -2.864 1.016 18 . c30244_5us3 B3K HE2 HE2 HE2 1HE . H . . N 0 . . . 1 no no . . . . -5.610 . -9.673 . 27.377 . 4.845 -2.212 -1.387 19 . c30244_5us3 B3K HE3 HE3 HE3 2HE . H . . N 0 . . . 1 no no . . . . -7.368 . -9.220 . 27.611 . 4.869 -1.370 0.165 20 . c30244_5us3 B3K HF1 HF1 HF1 1HF . H . . N 0 . . . 1 no no . . . . -7.681 . -11.615 . 28.405 . 5.491 -3.514 1.312 21 . c30244_5us3 B3K HF2 HF2 HF2 2HF . H . . N 0 . . . 1 no no . . . . -6.075 . -11.942 . 27.671 . 5.439 -4.360 -0.242 22 . c30244_5us3 B3K HNZ1 HNZ1 HNZ1 1HNZ . H . . N 0 . . . 0 no no . . . . -8.567 . -11.372 . 26.428 . 7.477 -2.427 0.640 23 . c30244_5us3 B3K HNZ2 HNZ2 HNZ2 2HNZ . H . . N 0 . . . 0 no no . . . . -7.302 . -10.556 . 25.795 . 7.376 -3.145 -0.950 24 . c30244_5us3 B3K HA1 HA1 HA1 1HA . H . . N 0 . . . 1 no no . . . . -2.742 . -9.895 . 30.979 . -0.078 -0.751 -1.846 25 . c30244_5us3 B3K HA2 HA2 HA2 2HA . H . . N 0 . . . 1 no no . . . . -2.294 . -8.456 . 29.952 . -1.257 -1.188 -0.590 26 . c30244_5us3 B3K HXT HXT HXT HXT . H . . N 0 . . . 1 no yes . . . . -1.256 . -6.679 . 32.657 . -0.037 2.312 -0.548 27 . c30244_5us3 B3K 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 CB no N 1 . c30244_5us3 B3K 2 . SING N H no N 2 . c30244_5us3 B3K 3 . SING N H2 no N 3 . c30244_5us3 B3K 4 . SING CB CG no N 4 . c30244_5us3 B3K 5 . SING CB CA no N 5 . c30244_5us3 B3K 6 . SING CB HB no N 6 . c30244_5us3 B3K 7 . SING CG CD no N 7 . c30244_5us3 B3K 8 . SING CG HG2 no N 8 . c30244_5us3 B3K 9 . SING CG HG3 no N 9 . c30244_5us3 B3K 10 . SING CD CE no N 10 . c30244_5us3 B3K 11 . SING CD HD2 no N 11 . c30244_5us3 B3K 12 . SING CD HD3 no N 12 . c30244_5us3 B3K 13 . SING CE CF no N 13 . c30244_5us3 B3K 14 . SING CE HE2 no N 14 . c30244_5us3 B3K 15 . SING CE HE3 no N 15 . c30244_5us3 B3K 16 . SING CF NZ no N 16 . c30244_5us3 B3K 17 . SING CF HF1 no N 17 . c30244_5us3 B3K 18 . SING CF HF2 no N 18 . c30244_5us3 B3K 19 . SING NZ HNZ1 no N 19 . c30244_5us3 B3K 20 . SING NZ HNZ2 no N 20 . c30244_5us3 B3K 21 . SING CA C no N 21 . c30244_5us3 B3K 22 . SING CA HA1 no N 22 . c30244_5us3 B3K 23 . SING CA HA2 no N 23 . c30244_5us3 B3K 24 . SING C OXT no N 24 . c30244_5us3 B3K 25 . DOUB C O no N 25 . c30244_5us3 B3K 26 . SING OXT HXT no N 26 . c30244_5us3 B3K stop_ save_ save_chem_comp_B3Q _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_B3Q _Chem_comp.Entry_ID c30244_5us3 _Chem_comp.ID B3Q _Chem_comp.Provenance PDB _Chem_comp.Name '(3S)-3,6-diamino-6-oxohexanoic acid' _Chem_comp.Type 'L-PEPTIDE LINKING' _Chem_comp.BMRB_code B3Q _Chem_comp.PDB_code B3Q _Chem_comp.Ambiguous_flag no _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 X _Chem_comp.Three_letter_code B3Q _Chem_comp.Number_atoms_all 23 _Chem_comp.Number_atoms_nh 11 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InCHi_code InChI=1S/C6H12N2O3/c7-4(3-6(10)11)1-2-5(8)9/h4H,1-3,7H2,(H2,8,9)(H,10,11)/t4-/m0/s1 _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 (S)-beta-3-homoglutamine _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C6 H12 N2 O3' _Chem_comp.Formula_weight 160.171 _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 Corina _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 3C3G _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 C(CC(=O)N)C(CC(=O)O)N SMILES 'OpenEye OEToolkits' 1.5.0 c30244_5us3 B3Q C(CC(=O)N)[C@@H](CC(=O)O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 c30244_5us3 B3Q IDNSGZOFDGAHTI-BYPYZUCNSA-N InChIKey InChI 1.03 c30244_5us3 B3Q InChI=1S/C6H12N2O3/c7-4(3-6(10)11)1-2-5(8)9/h4H,1-3,7H2,(H2,8,9)(H,10,11)/t4-/m0/s1 InChI InChI 1.03 c30244_5us3 B3Q N[C@@H](CCC(N)=O)CC(O)=O SMILES_CANONICAL CACTVS 3.341 c30244_5us3 B3Q N[CH](CCC(N)=O)CC(O)=O SMILES CACTVS 3.341 c30244_5us3 B3Q O=C(N)CCC(N)CC(=O)O SMILES ACDLabs 10.04 c30244_5us3 B3Q 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 '(3S)-3,6-diamino-6-oxo-hexanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 c30244_5us3 B3Q '(3S)-3,6-diamino-6-oxohexanoic acid' 'SYSTEMATIC NAME' ACDLabs 10.04 c30244_5us3 B3Q stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID N N N N . N . . N 0 . . . 1 no no . . . . 16.334 . 9.288 . 18.943 . -0.715 1.289 0.926 1 . c30244_5us3 B3Q CB CB CB CB . C . . S 0 . . . 1 no no . . . . 17.012 . 9.908 . 17.849 . -0.584 0.227 -0.081 2 . c30244_5us3 B3Q CG CG CG CG . C . . N 0 . . . 1 no no . . . . 17.432 . 11.309 . 18.298 . 0.776 -0.458 0.074 3 . c30244_5us3 B3Q CA CA CA CA . C . . N 0 . . . 1 no no . . . . 18.190 . 8.993 . 17.554 . -1.699 -0.803 0.116 4 . c30244_5us3 B3Q C C C C . C . . N 0 . . . 1 no no . . . . 17.903 . 7.821 . 16.615 . -3.033 -0.157 -0.156 5 . c30244_5us3 B3Q O O O O . O . . N 0 . . . 1 no no . . . . 17.599 . 8.016 . 15.451 . -3.086 1.007 -0.475 6 . c30244_5us3 B3Q HN HN HN HN . H . . N 0 . . . 1 no no . . . . 16.977 . 9.143 . 19.695 . -0.646 0.912 1.859 7 . c30244_5us3 B3Q HB HB HB HB . H . . N 0 . . . 1 no no . . . . 16.407 . 10.034 . 16.939 . -0.662 0.660 -1.078 8 . c30244_5us3 B3Q HG HG HG HG . H . . N 0 . . . 1 no no . . . . 17.036 . 11.504 . 19.305 . 0.889 -0.813 1.098 9 . c30244_5us3 B3Q HGA HGA HGA HGA . H . . N 0 . . . 1 no no . . . . 18.530 . 11.373 . 18.314 . 0.837 -1.302 -0.613 10 . c30244_5us3 B3Q HA HA HA HA . H . . N 0 . . . 1 no no . . . . 18.974 . 9.606 . 17.085 . -1.550 -1.635 -0.572 11 . c30244_5us3 B3Q HAA HAA HAA HAA . H . . N 0 . . . 1 no no . . . . 18.475 . 8.546 . 18.518 . -1.676 -1.171 1.142 12 . c30244_5us3 B3Q HNA HNA HNA HNA . H . . N 0 . . . 1 no yes . . . . 15.588 . 9.879 . 19.251 . -0.029 2.014 0.777 13 . c30244_5us3 B3Q CD CD CD CD . C . . N 0 . . . 1 no no . . . . 16.874 . 12.357 . 17.317 . 1.889 0.542 -0.246 14 . c30244_5us3 B3Q OXT OXT OXT OXT . O . . N 0 . . . 1 no yes . . . . 17.993 . 6.482 . 17.108 . -4.161 -0.876 -0.045 15 . c30244_5us3 B3Q CE CE CE CE . C . . N 0 . . . 1 no no . . . . 16.435 . 13.182 . 17.878 . 3.228 -0.132 -0.094 16 . c30244_5us3 B3Q H8 H8 H8 H8 . H . . N 0 . . . 1 no no . . . . 17.689 . 12.737 . 16.684 . 1.776 0.897 -1.270 17 . c30244_5us3 B3Q H9 H9 H9 H9 . H . . N 0 . . . 1 no no . . . . 16.103 . 11.893 . 16.684 . 1.827 1.386 0.441 18 . c30244_5us3 B3Q HXT HXT HXT HXT . H . . N 0 . . . 1 no yes . . . . 17.788 . 5.872 . 16.409 . -4.993 -0.418 -0.229 19 . c30244_5us3 B3Q NF2 NF2 NF2 NF2 . N . . N 0 . . . 1 no no . . . . 17.012 . 14.107 . 17.878 . 4.361 0.560 -0.326 20 . c30244_5us3 B3Q OF1 OF1 OF1 OF1 . O . . N 0 . . . 1 no no . . . . 15.006 . 13.231 . 17.878 . 3.286 -1.298 0.238 21 . c30244_5us3 B3Q H11 H11 H11 H11 . H . . N 0 . . . 1 no no . . . . 16.649 . 14.892 . 18.380 . 4.315 1.492 -0.590 22 . c30244_5us3 B3Q H12 H12 H12 H12 . H . . N 0 . . . 1 no no . . . . 17.882 . 14.169 . 17.389 . 5.223 0.126 -0.228 23 . c30244_5us3 B3Q 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 HN no N 1 . c30244_5us3 B3Q 2 . SING N HNA no N 2 . c30244_5us3 B3Q 3 . SING CB N no N 3 . c30244_5us3 B3Q 4 . SING CB CG no N 4 . c30244_5us3 B3Q 5 . SING CG HG no N 5 . c30244_5us3 B3Q 6 . SING CG HGA no N 6 . c30244_5us3 B3Q 7 . SING CG CD no N 7 . c30244_5us3 B3Q 8 . SING CA CB no N 8 . c30244_5us3 B3Q 9 . SING CA HA no N 9 . c30244_5us3 B3Q 10 . SING C CA no N 10 . c30244_5us3 B3Q 11 . SING C OXT no N 11 . c30244_5us3 B3Q 12 . DOUB O C no N 12 . c30244_5us3 B3Q 13 . SING HB CB no N 13 . c30244_5us3 B3Q 14 . SING HAA CA no N 14 . c30244_5us3 B3Q 15 . SING CD CE no N 15 . c30244_5us3 B3Q 16 . SING CD H8 no N 16 . c30244_5us3 B3Q 17 . SING CD H9 no N 17 . c30244_5us3 B3Q 18 . SING OXT HXT no N 18 . c30244_5us3 B3Q 19 . SING CE NF2 no N 19 . c30244_5us3 B3Q 20 . DOUB CE OF1 no N 20 . c30244_5us3 B3Q 21 . SING NF2 H11 no N 21 . c30244_5us3 B3Q 22 . SING NF2 H12 no N 22 . c30244_5us3 B3Q stop_ save_ save_chem_comp_MAA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_MAA _Chem_comp.Entry_ID c30244_5us3 _Chem_comp.ID MAA _Chem_comp.Provenance PDB _Chem_comp.Name N-methyl-L-alanine _Chem_comp.Type 'L-PEPTIDE LINKING' _Chem_comp.BMRB_code MAA _Chem_comp.PDB_code MAA _Chem_comp.Ambiguous_flag no _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 A _Chem_comp.Three_letter_code MAA _Chem_comp.Number_atoms_all 16 _Chem_comp.Number_atoms_nh 7 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InCHi_code InChI=1S/C4H9NO2/c1-3(5-2)4(6)7/h3,5H,1-2H3,(H,6,7)/t3-/m0/s1 _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 ALA _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 'C4 H9 N O2' _Chem_comp.Formula_weight 103.120 _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 Corina _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1A7Z _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 CC(C(=O)O)NC SMILES 'OpenEye OEToolkits' 1.7.0 c30244_5us3 MAA CN[C@@H](C)C(O)=O SMILES_CANONICAL CACTVS 3.370 c30244_5us3 MAA CN[CH](C)C(O)=O SMILES CACTVS 3.370 c30244_5us3 MAA C[C@@H](C(=O)O)NC SMILES_CANONICAL 'OpenEye OEToolkits' 1.7.0 c30244_5us3 MAA GDFAOVXKHJXLEI-VKHMYHEASA-N InChIKey InChI 1.03 c30244_5us3 MAA InChI=1S/C4H9NO2/c1-3(5-2)4(6)7/h3,5H,1-2H3,(H,6,7)/t3-/m0/s1 InChI InChI 1.03 c30244_5us3 MAA O=C(O)C(NC)C SMILES ACDLabs 12.01 c30244_5us3 MAA 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 '(2S)-2-(methylamino)propanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.7.0 c30244_5us3 MAA N-methyl-L-alanine 'SYSTEMATIC NAME' ACDLabs 12.01 c30244_5us3 MAA stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID N N N N . N . . N 0 . . . 1 no no . . . . -3.054 . 14.496 . 13.259 . -1.311 -0.577 0.238 1 . c30244_5us3 MAA CM CM CM CM . C . . N 0 . . . 1 no no . . . . -2.898 . 13.046 . 13.172 . -2.604 -0.347 -0.419 2 . c30244_5us3 MAA CA CA CA CA . C . . S 0 . . . 1 no no . . . . -2.203 . 15.328 . 12.404 . -0.293 0.359 -0.258 3 . c30244_5us3 MAA CB CB CB CB . C . . N 0 . . . 1 no no . . . . -2.911 . 15.670 . 11.074 . -0.383 1.671 0.524 4 . c30244_5us3 MAA C C C C . C . . N 0 . . . 1 no no . . . . -1.700 . 16.595 . 13.077 . 1.076 -0.243 -0.074 5 . c30244_5us3 MAA O O O O . O . . N 0 . . . 1 no no . . . . -1.691 . 17.690 . 12.565 . 1.192 -1.339 0.421 6 . c30244_5us3 MAA OXT OXT OXT OXT . O . . N 0 . . . 1 no yes . . . . -1.117 . 16.320 . 14.292 . 2.166 0.440 -0.458 7 . c30244_5us3 MAA H H H HN . H . . N 0 . . . 1 no yes . . . . -4.001 . 14.700 . 13.010 . -1.399 -0.516 1.242 8 . c30244_5us3 MAA HM1 HM1 HM1 HM1 . H . . N 0 . . . 1 no no . . . . -3.598 . 12.559 . 13.867 . -2.938 0.671 -0.218 9 . c30244_5us3 MAA HM2 HM2 HM2 HM2 . H . . N 0 . . . 1 no no . . . . -3.112 . 12.715 . 12.145 . -2.494 -0.487 -1.495 10 . c30244_5us3 MAA HM3 HM3 HM3 HM3 . H . . N 0 . . . 1 no no . . . . -1.867 . 12.772 . 13.439 . -3.339 -1.054 -0.033 11 . c30244_5us3 MAA HA HA HA HA . H . . N 0 . . . 1 no no . . . . -1.313 . 14.716 . 12.196 . -0.465 0.555 -1.316 12 . c30244_5us3 MAA HB1 HB1 HB1 HB1 . H . . N 0 . . . 1 no no . . . . -2.249 . 16.294 . 10.455 . -0.212 1.476 1.583 13 . c30244_5us3 MAA HB2 HB2 HB2 HB2 . H . . N 0 . . . 1 no no . . . . -3.148 . 14.741 . 10.535 . 0.371 2.366 0.156 14 . c30244_5us3 MAA HB3 HB3 HB3 HB3 . H . . N 0 . . . 1 no no . . . . -3.841 . 16.219 . 11.284 . -1.374 2.107 0.391 15 . c30244_5us3 MAA HXT HXT HXT HXT . H . . N 0 . . . 1 no yes . . . . -0.723 . 17.111 . 14.641 . 3.023 0.013 -0.320 16 . c30244_5us3 MAA 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 CM no N 1 . c30244_5us3 MAA 2 . SING N CA no N 2 . c30244_5us3 MAA 3 . SING N H no N 3 . c30244_5us3 MAA 4 . SING CM HM1 no N 4 . c30244_5us3 MAA 5 . SING CM HM2 no N 5 . c30244_5us3 MAA 6 . SING CM HM3 no N 6 . c30244_5us3 MAA 7 . SING CA CB no N 7 . c30244_5us3 MAA 8 . SING CA C no N 8 . c30244_5us3 MAA 9 . SING CA HA no N 9 . c30244_5us3 MAA 10 . SING CB HB1 no N 10 . c30244_5us3 MAA 11 . SING CB HB2 no N 11 . c30244_5us3 MAA 12 . SING CB HB3 no N 12 . c30244_5us3 MAA 13 . DOUB C O no N 13 . c30244_5us3 MAA 14 . SING C OXT no N 14 . c30244_5us3 MAA 15 . SING OXT HXT no N 15 . c30244_5us3 MAA stop_ save_ save_chem_comp_MMO _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_MMO _Chem_comp.Entry_ID c30244_5us3 _Chem_comp.ID MMO _Chem_comp.Provenance PDB _Chem_comp.Name N~2~-methyl-L-arginine _Chem_comp.Type 'L-PEPTIDE LINKING' _Chem_comp.BMRB_code MMO _Chem_comp.PDB_code MMO _Chem_comp.Ambiguous_flag no _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 R _Chem_comp.Three_letter_code MMO _Chem_comp.Number_atoms_all 29 _Chem_comp.Number_atoms_nh 13 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InCHi_code InChI=1S/C7H16N4O2/c1-10-5(6(12)13)3-2-4-11-7(8)9/h5,10H,2-4H2,1H3,(H,12,13)(H4,8,9,11)/t5-/m0/s1 _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 ARG _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 'C7 H16 N4 O2' _Chem_comp.Formula_weight 188.228 _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 Corina _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1EB1 _Chem_comp.Processing_site EBI _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 CNC(CCCNC(=N)N)C(=O)O SMILES 'OpenEye OEToolkits' 1.7.0 c30244_5us3 MMO CN[C@@H](CCCNC(N)=N)C(O)=O SMILES_CANONICAL CACTVS 3.370 c30244_5us3 MMO CN[CH](CCCNC(N)=N)C(O)=O SMILES CACTVS 3.370 c30244_5us3 MMO InChI=1S/C7H16N4O2/c1-10-5(6(12)13)3-2-4-11-7(8)9/h5,10H,2-4H2,1H3,(H,12,13)(H4,8,9,11)/t5-/m0/s1 InChI InChI 1.03 c30244_5us3 MMO NTWVQPHTOUKMDI-YFKPBYRVSA-N InChIKey InChI 1.03 c30244_5us3 MMO O=C(O)C(NC)CCCNC(=[N@H])N SMILES ACDLabs 12.01 c30244_5us3 MMO [H]/N=C(\N)/NCCC[C@@H](C(=O)O)NC SMILES_CANONICAL 'OpenEye OEToolkits' 1.7.0 c30244_5us3 MMO 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 '(2S)-5-carbamimidamido-2-(methylamino)pentanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.7.0 c30244_5us3 MMO N~2~-methyl-L-arginine 'SYSTEMATIC NAME' ACDLabs 12.01 c30244_5us3 MMO stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID N N N N . N . . N 0 . . . 1 no no . . . . 13.133 . -11.401 . 15.837 . 2.160 -1.382 0.531 1 . c30244_5us3 MMO CA CA CA CA . C . . S 0 . . . 1 no no . . . . 14.461 . -11.725 . 16.444 . 2.018 -0.169 -0.287 2 . c30244_5us3 MMO C C C C . C . . N 0 . . . 1 no no . . . . 14.731 . -10.762 . 17.610 . 3.190 0.744 -0.037 3 . c30244_5us3 MMO O O O O . O . . N 0 . . . 1 no no . . . . 15.622 . -9.910 . 17.535 . 3.780 0.697 1.016 4 . c30244_5us3 MMO CB CB CB CB . C . . N 0 . . . 1 no no . . . . 15.600 . -11.697 . 15.361 . 0.721 0.550 0.088 5 . c30244_5us3 MMO CG CG CG CG . C . . N 0 . . . 1 no no . . . . 15.302 . -12.698 . 14.211 . -0.475 -0.329 -0.282 6 . c30244_5us3 MMO CD CD CD CD . C . . N 0 . . . 1 no no . . . . 16.434 . -12.730 . 13.160 . -1.772 0.391 0.093 7 . c30244_5us3 MMO NE NE NE NE . N . . N 0 . . . 1 no no . . . . 16.663 . -11.409 . 12.544 . -2.918 -0.451 -0.261 8 . c30244_5us3 MMO CZ CZ CZ CZ . C . . N 0 . . . 1 no no . . . . 17.663 . -11.179 . 11.711 . -4.196 -0.010 -0.016 9 . c30244_5us3 MMO NH2 NH2 NH2 NH2 . N . . N 0 . . . 1 no no . . . . 18.536 . -12.110 . 11.361 . -4.400 1.221 0.561 10 . c30244_5us3 MMO NH1 NH1 NH1 NH1 . N . . N 0 . . . 1 no no . . . . 17.800 . -9.951 . 11.183 . -5.216 -0.759 -0.331 11 . c30244_5us3 MMO CN CN CN CN . C . . N 0 . . . 1 no no . . . . 12.809 . -10.043 . 15.332 . 3.015 -2.371 -0.138 12 . c30244_5us3 MMO H2 H2 H2 H . H . . N 0 . . . 1 no yes . . . . 13.045 . -12.008 . 15.047 . 2.514 -1.159 1.449 13 . c30244_5us3 MMO HA HA HA HA . H . . N 0 . . . 1 no no . . . . 14.446 . -12.750 . 16.843 . 1.990 -0.444 -1.342 14 . c30244_5us3 MMO HCB1 HCB1 HCB1 HCB1 . H . . N 0 . . . 0 no no . . . . 15.669 . -10.682 . 14.942 . 0.711 0.746 1.160 15 . c30244_5us3 MMO HCB2 HCB2 HCB2 HCB2 . H . . N 0 . . . 0 no no . . . . 16.552 . -11.973 . 15.837 . 0.660 1.494 -0.454 16 . c30244_5us3 MMO HCG1 HCG1 HCG1 HCG1 . H . . N 0 . . . 0 no no . . . . 15.194 . -13.705 . 14.641 . -0.465 -0.525 -1.354 17 . c30244_5us3 MMO HCG2 HCG2 HCG2 HCG2 . H . . N 0 . . . 0 no no . . . . 14.370 . -12.393 . 13.713 . -0.413 -1.273 0.260 18 . c30244_5us3 MMO HCD1 HCD1 HCD1 HCD1 . H . . N 0 . . . 0 no no . . . . 17.362 . -13.051 . 13.655 . -1.782 0.586 1.165 19 . c30244_5us3 MMO HCD2 HCD2 HCD2 HCD2 . H . . N 0 . . . 0 no no . . . . 16.157 . -13.442 . 12.369 . -1.834 1.334 -0.449 20 . c30244_5us3 MMO HH21 HH21 HH21 HH21 . H . . N 0 . . . 0 no no . . . . 19.272 . -11.890 . 10.720 . -3.642 1.778 0.795 21 . c30244_5us3 MMO HH22 HH22 HH22 HH22 . H . . N 0 . . . 0 no no . . . . 18.460 . -13.033 . 11.737 . -5.303 1.532 0.734 22 . c30244_5us3 MMO HH11 HH11 HH11 HH11 . H . . N 0 . . . 0 no no . . . . 18.582 . -9.895 . 10.563 . -6.118 -0.448 -0.158 23 . c30244_5us3 MMO HC1 HC1 HC1 HC1 . H . . N 0 . . . 1 no no . . . . 11.785 . -10.035 . 14.931 . 3.092 -3.264 0.483 24 . c30244_5us3 MMO HC2 HC2 HC2 HC2 . H . . N 0 . . . 1 no no . . . . 12.886 . -9.318 . 16.155 . 2.581 -2.635 -1.102 25 . c30244_5us3 MMO HC3 HC3 HC3 HC3 . H . . N 0 . . . 1 no no . . . . 13.516 . -9.770 . 14.535 . 4.008 -1.949 -0.290 26 . c30244_5us3 MMO OXT OXT OXT OXT . O . . N 0 . . . 1 no yes . . . . 14.093 . -10.648 . 18.885 . 3.579 1.612 -0.985 27 . c30244_5us3 MMO HXT HXT HXT HXT . H . . N 0 . . . 1 no yes . . . . 14.498 . -9.946 . 19.381 . 4.336 2.177 -0.779 28 . c30244_5us3 MMO HE HE HE HE . H . . N 0 . . . 1 no no . . . . 16.038 . -10.660 . 12.765 . -2.774 -1.320 -0.668 29 . c30244_5us3 MMO 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 CA no N 1 . c30244_5us3 MMO 2 . SING N CN no N 2 . c30244_5us3 MMO 3 . SING N H2 no N 3 . c30244_5us3 MMO 4 . SING CA C no N 4 . c30244_5us3 MMO 5 . SING CA CB no N 5 . c30244_5us3 MMO 6 . SING CA HA no N 6 . c30244_5us3 MMO 7 . DOUB C O no N 7 . c30244_5us3 MMO 8 . SING CB CG no N 8 . c30244_5us3 MMO 9 . SING CB HCB1 no N 9 . c30244_5us3 MMO 10 . SING CB HCB2 no N 10 . c30244_5us3 MMO 11 . SING CG CD no N 11 . c30244_5us3 MMO 12 . SING CG HCG1 no N 12 . c30244_5us3 MMO 13 . SING CG HCG2 no N 13 . c30244_5us3 MMO 14 . SING CD NE no N 14 . c30244_5us3 MMO 15 . SING CD HCD1 no N 15 . c30244_5us3 MMO 16 . SING CD HCD2 no N 16 . c30244_5us3 MMO 17 . SING NE CZ no N 17 . c30244_5us3 MMO 18 . SING CZ NH2 no N 18 . c30244_5us3 MMO 19 . DOUB CZ NH1 no N 19 . c30244_5us3 MMO 20 . SING NH2 HH21 no N 20 . c30244_5us3 MMO 21 . SING NH2 HH22 no N 21 . c30244_5us3 MMO 22 . SING NH1 HH11 no N 22 . c30244_5us3 MMO 23 . SING CN HC1 no N 23 . c30244_5us3 MMO 24 . SING CN HC2 no N 24 . c30244_5us3 MMO 25 . SING CN HC3 no N 25 . c30244_5us3 MMO 26 . SING C OXT no N 26 . c30244_5us3 MMO 27 . SING OXT HXT no N 27 . c30244_5us3 MMO 28 . SING NE HE no N 28 . c30244_5us3 MMO stop_ save_ save_chem_comp_NH2 _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_NH2 _Chem_comp.Entry_ID c30244_5us3 _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 c30244_5us3 NH2 N SMILES ACDLabs 10.04 c30244_5us3 NH2 QGZKDVFQNNGYKY-UHFFFAOYAF InChIKey InChI 1.02b c30244_5us3 NH2 [NH2] SMILES CACTVS 3.341 c30244_5us3 NH2 [NH2] SMILES 'OpenEye OEToolkits' 1.5.0 c30244_5us3 NH2 [NH2] SMILES_CANONICAL CACTVS 3.341 c30244_5us3 NH2 [NH2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 c30244_5us3 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 c30244_5us3 NH2 l^{2}-azane 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 c30244_5us3 NH2 stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID N N N N . N . . N 0 . . . 1 no no . . . . 10.091 . 8.978 . -7.810 . 0.000 0.000 0.000 1 . c30244_5us3 NH2 HN1 HN1 HN1 1HN . H . . N 0 . . . 1 no no . . . . 9.517 . 8.769 . -7.044 . -0.385 -0.545 -0.771 2 . c30244_5us3 NH2 HN2 HN2 HN2 2HN . H . . N 0 . . . 1 no no . . . . 10.323 . 9.890 . -8.082 . 1.020 0.000 0.000 3 . c30244_5us3 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 . c30244_5us3 NH2 2 . SING N HN2 no N 2 . c30244_5us3 NH2 stop_ save_ save_chem_comp_NLE _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_NLE _Chem_comp.Entry_ID c30244_5us3 _Chem_comp.ID NLE _Chem_comp.Provenance PDB _Chem_comp.Name NORLEUCINE _Chem_comp.Type 'L-PEPTIDE LINKING' _Chem_comp.BMRB_code NLE _Chem_comp.PDB_code NLE _Chem_comp.Ambiguous_flag no _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 L _Chem_comp.Three_letter_code NLE _Chem_comp.Number_atoms_all 22 _Chem_comp.Number_atoms_nh 9 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InCHi_code InChI=1S/C6H13NO2/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1 _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 LEU _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 'C6 H13 N O2' _Chem_comp.Formula_weight 131.173 _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 Corina _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site EBI _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 CCCCC(C(=O)O)N SMILES 'OpenEye OEToolkits' 1.5.0 c30244_5us3 NLE CCCC[C@@H](C(=O)O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 c30244_5us3 NLE CCCC[C@H](N)C(O)=O SMILES_CANONICAL CACTVS 3.341 c30244_5us3 NLE CCCC[CH](N)C(O)=O SMILES CACTVS 3.341 c30244_5us3 NLE InChI=1S/C6H13NO2/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1 InChI InChI 1.03 c30244_5us3 NLE LRQKBLKVPFOOQJ-YFKPBYRVSA-N InChIKey InChI 1.03 c30244_5us3 NLE O=C(O)C(N)CCCC SMILES ACDLabs 10.04 c30244_5us3 NLE 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 '(2S)-2-aminohexanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 c30244_5us3 NLE L-norleucine 'SYSTEMATIC NAME' ACDLabs 10.04 c30244_5us3 NLE stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID N N N N . N . . N 0 . . . 1 no no . . . . 16.557 . 39.518 . 17.898 . 0.720 1.773 0.288 1 . c30244_5us3 NLE CA CA CA CA . C . . S 0 . . . 1 no no . . . . 15.812 . 40.611 . 17.285 . 0.763 0.319 0.492 2 . c30244_5us3 NLE C C C C . C . . N 0 . . . 1 no no . . . . 16.773 . 41.690 . 16.789 . 2.084 -0.218 0.003 3 . c30244_5us3 NLE O O O O . O . . N 0 . . . 1 no no . . . . 16.479 . 42.322 . 15.753 . 2.747 0.426 -0.776 4 . c30244_5us3 NLE OXT OXT OXT OXT . O . . N 0 . . . 1 no yes . . . . 17.818 . 41.883 . 17.441 . 2.524 -1.411 0.433 5 . c30244_5us3 NLE CB CB CB CB . C . . N 0 . . . 1 no no . . . . 14.816 . 41.205 . 18.283 . -0.375 -0.340 -0.289 6 . c30244_5us3 NLE CG CG CG CG . C . . N 0 . . . 1 no no . . . . 13.697 . 40.254 . 18.678 . -1.718 0.110 0.290 7 . c30244_5us3 NLE CD CD CD CD . C . . N 0 . . . 1 no no . . . . 12.730 . 40.911 . 19.645 . -2.857 -0.549 -0.491 8 . c30244_5us3 NLE CE CE CE CE . C . . N 0 . . . 1 no no . . . . 11.636 . 39.956 . 20.071 . -4.200 -0.099 0.087 9 . c30244_5us3 NLE H H H 1HN . H . . N 0 . . . 1 no no . . . . 16.728 . 38.807 . 17.216 . 0.822 2.004 -0.689 10 . c30244_5us3 NLE HN2 HN2 HN2 2HN . H . . N 0 . . . 1 no yes . . . . 17.429 . 39.863 . 18.245 . -0.129 2.166 0.666 11 . c30244_5us3 NLE HA HA HA HA . H . . N 0 . . . 1 no no . . . . 15.250 . 40.215 . 16.426 . 0.652 0.097 1.553 12 . c30244_5us3 NLE HXT HXT HXT HXT . H . . N 0 . . . 1 no yes . . . . 18.329 . 42.568 . 17.026 . 3.377 -1.713 0.092 13 . c30244_5us3 NLE HB2 HB2 HB2 1HB . H . . N 0 . . . 1 no no . . . . 15.369 . 41.477 . 19.194 . -0.315 -0.046 -1.337 14 . c30244_5us3 NLE HB3 HB3 HB3 2HB . H . . N 0 . . . 1 no no . . . . 14.345 . 42.069 . 17.792 . -0.290 -1.424 -0.211 15 . c30244_5us3 NLE HG2 HG2 HG2 1HG . H . . N 0 . . . 1 no no . . . . 13.147 . 39.956 . 17.773 . -1.779 -0.184 1.338 16 . c30244_5us3 NLE HG3 HG3 HG3 2HG . H . . N 0 . . . 1 no no . . . . 14.143 . 39.379 . 19.173 . -1.803 1.194 0.211 17 . c30244_5us3 NLE HD2 HD2 HD2 1HD . H . . N 0 . . . 1 no no . . . . 13.286 . 41.234 . 20.538 . -2.796 -0.255 -1.539 18 . c30244_5us3 NLE HD3 HD3 HD3 2HD . H . . N 0 . . . 1 no no . . . . 12.263 . 41.768 . 19.138 . -2.772 -1.633 -0.413 19 . c30244_5us3 NLE HE1 HE1 HE1 1HE . H . . N 0 . . . 1 no no . . . . 11.747 . 39.724 . 21.141 . -4.284 0.985 0.009 20 . c30244_5us3 NLE HE2 HE2 HE2 2HE . H . . N 0 . . . 1 no no . . . . 10.655 . 40.422 . 19.897 . -5.011 -0.568 -0.469 21 . c30244_5us3 NLE HE3 HE3 HE3 3HE . H . . N 0 . . . 1 no no . . . . 11.711 . 39.028 . 19.485 . -4.260 -0.393 1.135 22 . c30244_5us3 NLE 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 CA no N 1 . c30244_5us3 NLE 2 . SING N H no N 2 . c30244_5us3 NLE 3 . SING N HN2 no N 3 . c30244_5us3 NLE 4 . SING CA C no N 4 . c30244_5us3 NLE 5 . SING CA CB no N 5 . c30244_5us3 NLE 6 . SING CA HA no N 6 . c30244_5us3 NLE 7 . DOUB C O no N 7 . c30244_5us3 NLE 8 . SING C OXT no N 8 . c30244_5us3 NLE 9 . SING OXT HXT no N 9 . c30244_5us3 NLE 10 . SING CB CG no N 10 . c30244_5us3 NLE 11 . SING CB HB2 no N 11 . c30244_5us3 NLE 12 . SING CB HB3 no N 12 . c30244_5us3 NLE 13 . SING CG CD no N 13 . c30244_5us3 NLE 14 . SING CG HG2 no N 14 . c30244_5us3 NLE 15 . SING CG HG3 no N 15 . c30244_5us3 NLE 16 . SING CD CE no N 16 . c30244_5us3 NLE 17 . SING CD HD2 no N 17 . c30244_5us3 NLE 18 . SING CD HD3 no N 18 . c30244_5us3 NLE 19 . SING CE HE1 no N 19 . c30244_5us3 NLE 20 . SING CE HE2 no N 20 . c30244_5us3 NLE 21 . SING CE HE3 no N 21 . c30244_5us3 NLE stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID c30244_5us3 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.2 mM NA DSS, 1.5 mM NA zinc chloride, 1.25 mM NA peptide, 9:1 H2O/D2O.' _Sample.Aggregate_sample_number . _Sample.Solvent_system '9:1 H2O/D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 DSS 'natural abundance' . . . . . . 0.2 . . mM . . . . c30244_5us3 1 2 peptide 'natural abundance' . . 1 $entity_1 . . 1.25 . . mM . . . . c30244_5us3 1 3 'zinc chloride' 'natural abundance' . . . . . . 1.5 . . mM . . . . c30244_5us3 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 c30244_5us3 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 5 . mM c30244_5us3 1 pH 7.0 . pH c30244_5us3 1 pressure 1 . atm c30244_5us3 1 temperature 277 . K c30244_5us3 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID c30244_5us3 _Software.ID 1 _Software.Name CNS _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . c30244_5us3 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement c30244_5us3 1 'structure calculation' c30244_5us3 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID c30244_5us3 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . c30244_5us3 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' c30244_5us3 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID c30244_5us3 _Software.ID 3 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . c30244_5us3 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection c30244_5us3 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID c30244_5us3 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID c30244_5us3 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker Avance . 700 . . . c30244_5us3 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 c30244_5us3 _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 TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . c30244_5us3 1 2 '2D COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . c30244_5us3 1 3 '2D NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . c30244_5us3 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID c30244_5us3 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . c30244_5us3 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID c30244_5us3 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D TOCSY' . . . c30244_5us3 1 2 '2D COSY' . . . c30244_5us3 1 3 '2D NOESY' . . . c30244_5us3 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 2 2 TYR H H 1 9.011 0.00 . 1 . . . A 2 TYR H . c30244_5us3 1 2 . 1 1 2 2 TYR HA H 1 5.142 0.00 . 1 . . . A 2 TYR HA . c30244_5us3 1 3 . 1 1 2 2 TYR HB2 H 1 2.600 0.00 . 2 . . . A 2 TYR HB2 . c30244_5us3 1 4 . 1 1 2 2 TYR HB3 H 1 3.028 0.00 . 2 . . . A 2 TYR HB3 . c30244_5us3 1 5 . 1 1 2 2 TYR HD1 H 1 7.019 0.00 . 3 . . . A 2 TYR HD1 . c30244_5us3 1 6 . 1 1 2 2 TYR HD2 H 1 7.019 0.00 . 3 . . . A 2 TYR HD2 . c30244_5us3 1 7 . 1 1 2 2 TYR HE1 H 1 6.879 0.00 . 3 . . . A 2 TYR HE1 . c30244_5us3 1 8 . 1 1 2 2 TYR HE2 H 1 6.879 0.00 . 3 . . . A 2 TYR HE2 . c30244_5us3 1 9 . 1 1 3 3 MAA HA H 1 5.425 0.00 . 1 . . . A 3 MAA HA . c30244_5us3 1 10 . 1 1 3 3 MAA HB1 H 1 1.481 0.00 . 1 . . . A 3 MAA HB1 . c30244_5us3 1 11 . 1 1 3 3 MAA HB2 H 1 1.481 0.00 . 1 . . . A 3 MAA HB2 . c30244_5us3 1 12 . 1 1 3 3 MAA HB3 H 1 1.481 0.00 . 1 . . . A 3 MAA HB3 . c30244_5us3 1 13 . 1 1 3 3 MAA HM1 H 1 3.403 0.00 . 1 . . . A 3 MAA HM1 . c30244_5us3 1 14 . 1 1 3 3 MAA HM2 H 1 3.403 0.00 . 1 . . . A 3 MAA HM2 . c30244_5us3 1 15 . 1 1 3 3 MAA HM3 H 1 3.403 0.00 . 1 . . . A 3 MAA HM3 . c30244_5us3 1 16 . 1 1 4 4 CYS H H 1 8.644 0.00 . 1 . . . A 4 CYS H . c30244_5us3 1 17 . 1 1 4 4 CYS HA H 1 4.863 0.00 . 1 . . . A 4 CYS HA . c30244_5us3 1 18 . 1 1 4 4 CYS HB2 H 1 2.867 0.00 . 2 . . . A 4 CYS HB2 . c30244_5us3 1 19 . 1 1 4 4 CYS HB3 H 1 3.734 0.00 . 2 . . . A 4 CYS HB3 . c30244_5us3 1 20 . 1 1 5 5 PRO HA H 1 4.599 0.00 . 1 . . . A 5 PRO HA . c30244_5us3 1 21 . 1 1 5 5 PRO HB2 H 1 2.394 0.00 . 1 . . . A 5 PRO HB2 . c30244_5us3 1 22 . 1 1 5 5 PRO HB3 H 1 2.394 0.00 . 1 . . . A 5 PRO HB3 . c30244_5us3 1 23 . 1 1 5 5 PRO HG2 H 1 2.069 0.00 . 2 . . . A 5 PRO HG2 . c30244_5us3 1 24 . 1 1 5 5 PRO HG3 H 1 2.155 0.00 . 2 . . . A 5 PRO HG3 . c30244_5us3 1 25 . 1 1 5 5 PRO HD2 H 1 3.931 0.00 . 2 . . . A 5 PRO HD2 . c30244_5us3 1 26 . 1 1 5 5 PRO HD3 H 1 4.503 0.00 . 2 . . . A 5 PRO HD3 . c30244_5us3 1 27 . 1 1 6 6 GLU H H 1 9.683 0.00 . 1 . . . A 6 GLU H . c30244_5us3 1 28 . 1 1 6 6 GLU HA H 1 4.454 0.00 . 1 . . . A 6 GLU HA . c30244_5us3 1 29 . 1 1 6 6 GLU HB2 H 1 0.603 0.00 . 2 . . . A 6 GLU HB2 . c30244_5us3 1 30 . 1 1 6 6 GLU HB3 H 1 1.645 0.00 . 2 . . . A 6 GLU HB3 . c30244_5us3 1 31 . 1 1 6 6 GLU HG2 H 1 1.833 0.00 . 2 . . . A 6 GLU HG2 . c30244_5us3 1 32 . 1 1 6 6 GLU HG3 H 1 1.875 0.00 . 2 . . . A 6 GLU HG3 . c30244_5us3 1 33 . 1 1 7 7 CYS H H 1 8.193 0.00 . 1 . . . A 7 CYS H . c30244_5us3 1 34 . 1 1 7 7 CYS HA H 1 5.166 0.00 . 1 . . . A 7 CYS HA . c30244_5us3 1 35 . 1 1 7 7 CYS HB2 H 1 3.149 0.00 . 2 . . . A 7 CYS HB2 . c30244_5us3 1 36 . 1 1 7 7 CYS HB3 H 1 3.470 0.00 . 2 . . . A 7 CYS HB3 . c30244_5us3 1 37 . 1 1 8 8 PRO HA H 1 4.697 0.00 . 1 . . . A 8 PRO HA . c30244_5us3 1 38 . 1 1 8 8 PRO HB2 H 1 2.022 0.00 . 2 . . . A 8 PRO HB2 . c30244_5us3 1 39 . 1 1 8 8 PRO HB3 H 1 2.328 0.00 . 2 . . . A 8 PRO HB3 . c30244_5us3 1 40 . 1 1 8 8 PRO HG2 H 1 1.978 0.00 . 1 . . . A 8 PRO HG2 . c30244_5us3 1 41 . 1 1 8 8 PRO HG3 H 1 1.978 0.00 . 1 . . . A 8 PRO HG3 . c30244_5us3 1 42 . 1 1 8 8 PRO HD2 H 1 3.644 0.00 . 2 . . . A 8 PRO HD2 . c30244_5us3 1 43 . 1 1 8 8 PRO HD3 H 1 3.854 0.00 . 2 . . . A 8 PRO HD3 . c30244_5us3 1 44 . 1 1 9 9 LYS H H 1 8.332 0.00 . 1 . . . A 9 LYS H . c30244_5us3 1 45 . 1 1 9 9 LYS HA H 1 4.415 0.00 . 1 . . . A 9 LYS HA . c30244_5us3 1 46 . 1 1 9 9 LYS HB2 H 1 1.431 0.00 . 1 . . . A 9 LYS HB2 . c30244_5us3 1 47 . 1 1 9 9 LYS HB3 H 1 1.431 0.00 . 1 . . . A 9 LYS HB3 . c30244_5us3 1 48 . 1 1 9 9 LYS HG2 H 1 1.282 0.00 . 1 . . . A 9 LYS HG2 . c30244_5us3 1 49 . 1 1 9 9 LYS HG3 H 1 1.282 0.00 . 1 . . . A 9 LYS HG3 . c30244_5us3 1 50 . 1 1 9 9 LYS HD2 H 1 1.571 0.00 . 2 . . . A 9 LYS HD2 . c30244_5us3 1 51 . 1 1 9 9 LYS HD3 H 1 1.644 0.00 . 2 . . . A 9 LYS HD3 . c30244_5us3 1 52 . 1 1 9 9 LYS HE2 H 1 3.010 0.00 . 1 . . . A 9 LYS HE2 . c30244_5us3 1 53 . 1 1 9 9 LYS HE3 H 1 3.010 0.00 . 1 . . . A 9 LYS HE3 . c30244_5us3 1 54 . 1 1 10 10 MMO HA H 1 5.656 0.00 . 1 . . . A 10 MMO HA . c30244_5us3 1 55 . 1 1 10 10 MMO HC1 H 1 2.914 0.00 . 1 . . . A 10 MMO HC1 . c30244_5us3 1 56 . 1 1 10 10 MMO HC2 H 1 2.914 0.00 . 1 . . . A 10 MMO HC2 . c30244_5us3 1 57 . 1 1 10 10 MMO HC3 H 1 2.914 0.00 . 1 . . . A 10 MMO HC3 . c30244_5us3 1 58 . 1 1 10 10 MMO HCB1 H 1 1.810 0.00 . 2 . . . A 10 MMO HCB1 . c30244_5us3 1 59 . 1 1 10 10 MMO HCB2 H 1 1.568 0.00 . 2 . . . A 10 MMO HCB2 . c30244_5us3 1 60 . 1 1 10 10 MMO HCD1 H 1 3.066 0.00 . 2 . . . A 10 MMO HCD1 . c30244_5us3 1 61 . 1 1 10 10 MMO HCD2 H 1 3.066 0.00 . 2 . . . A 10 MMO HCD2 . c30244_5us3 1 62 . 1 1 10 10 MMO HCG1 H 1 1.512 0.00 . 2 . . . A 10 MMO HCG1 . c30244_5us3 1 63 . 1 1 10 10 MMO HCG2 H 1 1.332 0.00 . 2 . . . A 10 MMO HCG2 . c30244_5us3 1 64 . 1 1 11 11 PHE H H 1 8.717 0.00 . 1 . . . A 11 PHE H . c30244_5us3 1 65 . 1 1 11 11 PHE HA H 1 4.740 0.01 . 1 . . . A 11 PHE HA . c30244_5us3 1 66 . 1 1 11 11 PHE HB2 H 1 2.597 0.00 . 2 . . . A 11 PHE HB2 . c30244_5us3 1 67 . 1 1 11 11 PHE HB3 H 1 3.357 0.00 . 2 . . . A 11 PHE HB3 . c30244_5us3 1 68 . 1 1 11 11 PHE HD1 H 1 7.059 0.00 . 3 . . . A 11 PHE HD1 . c30244_5us3 1 69 . 1 1 11 11 PHE HD2 H 1 7.059 0.00 . 3 . . . A 11 PHE HD2 . c30244_5us3 1 70 . 1 1 11 11 PHE HE1 H 1 6.753 0.00 . 3 . . . A 11 PHE HE1 . c30244_5us3 1 71 . 1 1 11 11 PHE HE2 H 1 6.753 0.00 . 3 . . . A 11 PHE HE2 . c30244_5us3 1 72 . 1 1 11 11 PHE HZ H 1 5.990 0.00 . 1 . . . A 11 PHE HZ . c30244_5us3 1 73 . 1 1 12 12 NLE HA H 1 4.341 0.00 . 1 . . . A 12 NLE HA . c30244_5us3 1 74 . 1 1 12 12 NLE HB2 H 1 1.970 0.00 . 2 . . . A 12 NLE HB2 . c30244_5us3 1 75 . 1 1 12 12 NLE HB3 H 1 2.019 0.00 . 2 . . . A 12 NLE HB3 . c30244_5us3 1 76 . 1 1 12 12 NLE HD2 H 1 1.415 0.00 . 2 . . . A 12 NLE HD2 . c30244_5us3 1 77 . 1 1 12 12 NLE HD3 H 1 1.415 0.00 . 2 . . . A 12 NLE HD3 . c30244_5us3 1 78 . 1 1 12 12 NLE HE1 H 1 0.931 0.00 . 2 . . . A 12 NLE HE1 . c30244_5us3 1 79 . 1 1 12 12 NLE HE2 H 1 0.931 0.00 . 1 . . . A 12 NLE HE2 . c30244_5us3 1 80 . 1 1 12 12 NLE HE3 H 1 0.931 0.00 . 1 . . . A 12 NLE HE3 . c30244_5us3 1 81 . 1 1 12 12 NLE HG2 H 1 1.522 0.00 . 1 . . . A 12 NLE HG2 . c30244_5us3 1 82 . 1 1 12 12 NLE HG3 H 1 1.522 0.00 . 2 . . . A 12 NLE HG3 . c30244_5us3 1 83 . 1 1 13 13 ARG H H 1 7.854 0.00 . 1 . . . A 13 ARG H . c30244_5us3 1 84 . 1 1 13 13 ARG HA H 1 4.947 0.00 . 1 . . . A 13 ARG HA . c30244_5us3 1 85 . 1 1 13 13 ARG HB2 H 1 1.987 0.00 . 1 . . . A 13 ARG HB2 . c30244_5us3 1 86 . 1 1 13 13 ARG HB3 H 1 1.987 0.00 . 1 . . . A 13 ARG HB3 . c30244_5us3 1 87 . 1 1 13 13 ARG HG2 H 1 1.541 0.00 . 2 . . . A 13 ARG HG2 . c30244_5us3 1 88 . 1 1 13 13 ARG HG3 H 1 1.647 0.00 . 2 . . . A 13 ARG HG3 . c30244_5us3 1 89 . 1 1 13 13 ARG HD2 H 1 3.198 0.00 . 2 . . . A 13 ARG HD2 . c30244_5us3 1 90 . 1 1 13 13 ARG HD3 H 1 3.198 0.00 . 2 . . . A 13 ARG HD3 . c30244_5us3 1 91 . 1 1 13 13 ARG HE H 1 7.137 0.00 . 1 . . . A 13 ARG HE . c30244_5us3 1 92 . 1 1 14 14 SER H H 1 8.610 0.00 . 1 . . . A 14 SER H . c30244_5us3 1 93 . 1 1 14 14 SER HA H 1 3.535 0.00 . 1 . . . A 14 SER HA . c30244_5us3 1 94 . 1 1 14 14 SER HB2 H 1 3.416 0.00 . 2 . . . A 14 SER HB2 . c30244_5us3 1 95 . 1 1 14 14 SER HB3 H 1 3.416 0.00 . 2 . . . A 14 SER HB3 . c30244_5us3 1 96 . 1 1 15 15 B3D H H 1 8.451 0.00 . 1 . . . A 15 B3D H . c30244_5us3 1 97 . 1 1 15 15 B3D HA1 H 1 2.366 0.00 . 2 . . . A 15 B3D HA1 . c30244_5us3 1 98 . 1 1 15 15 B3D HA2 H 1 2.447 0.00 . 2 . . . A 15 B3D HA2 . c30244_5us3 1 99 . 1 1 15 15 B3D HB H 1 4.650 0.00 . 1 . . . A 15 B3D HB . c30244_5us3 1 100 . 1 1 15 15 B3D HG2 H 1 2.362 0.00 . 2 . . . A 15 B3D HG2 . c30244_5us3 1 101 . 1 1 15 15 B3D HG3 H 1 2.362 0.00 . 2 . . . A 15 B3D HG3 . c30244_5us3 1 102 . 1 1 16 16 HIS H H 1 7.138 0.00 . 1 . . . A 16 HIS H . c30244_5us3 1 103 . 1 1 16 16 HIS HA H 1 4.345 0.00 . 1 . . . A 16 HIS HA . c30244_5us3 1 104 . 1 1 16 16 HIS HB2 H 1 3.376 0.00 . 2 . . . A 16 HIS HB2 . c30244_5us3 1 105 . 1 1 16 16 HIS HB3 H 1 3.431 0.00 . 2 . . . A 16 HIS HB3 . c30244_5us3 1 106 . 1 1 16 16 HIS HD1 H 1 7.090 0.00 . 1 . . . A 16 HIS HD1 . c30244_5us3 1 107 . 1 1 16 16 HIS HE1 H 1 6.932 0.00 . 1 . . . A 16 HIS HE1 . c30244_5us3 1 108 . 1 1 17 17 LEU H H 1 7.684 0.00 . 1 . . . A 17 LEU H . c30244_5us3 1 109 . 1 1 17 17 LEU HA H 1 3.181 0.00 . 1 . . . A 17 LEU HA . c30244_5us3 1 110 . 1 1 17 17 LEU HB2 H 1 2.108 0.00 . 2 . . . A 17 LEU HB2 . c30244_5us3 1 111 . 1 1 17 17 LEU HB3 H 1 2.108 0.00 . 2 . . . A 17 LEU HB3 . c30244_5us3 1 112 . 1 1 17 17 LEU HG H 1 1.499 0.00 . 1 . . . A 17 LEU HG . c30244_5us3 1 113 . 1 1 17 17 LEU HD11 H 1 0.899 0.00 . 2 . . . A 17 LEU HD11 . c30244_5us3 1 114 . 1 1 17 17 LEU HD12 H 1 0.899 0.00 . 2 . . . A 17 LEU HD12 . c30244_5us3 1 115 . 1 1 17 17 LEU HD13 H 1 0.899 0.00 . 2 . . . A 17 LEU HD13 . c30244_5us3 1 116 . 1 1 17 17 LEU HD21 H 1 1.129 0.00 . 2 . . . A 17 LEU HD21 . c30244_5us3 1 117 . 1 1 17 17 LEU HD22 H 1 1.129 0.00 . 2 . . . A 17 LEU HD22 . c30244_5us3 1 118 . 1 1 17 17 LEU HD23 H 1 1.129 0.00 . 2 . . . A 17 LEU HD23 . c30244_5us3 1 119 . 1 1 18 18 SER H H 1 7.943 0.00 . 1 . . . A 18 SER H . c30244_5us3 1 120 . 1 1 18 18 SER HA H 1 3.994 0.00 . 1 . . . A 18 SER HA . c30244_5us3 1 121 . 1 1 18 18 SER HB2 H 1 3.932 0.00 . 1 . . . A 18 SER HB2 . c30244_5us3 1 122 . 1 1 18 18 SER HB3 H 1 3.932 0.00 . 1 . . . A 18 SER HB3 . c30244_5us3 1 123 . 1 1 19 19 B3K H H 1 7.600 0.00 . 1 . . . A 19 B3K H . c30244_5us3 1 124 . 1 1 19 19 B3K HA1 H 1 2.365 0.00 . 2 . . . A 19 B3K HA1 . c30244_5us3 1 125 . 1 1 19 19 B3K HA2 H 1 2.434 0.00 . 2 . . . A 19 B3K HA2 . c30244_5us3 1 126 . 1 1 19 19 B3K HB H 1 4.103 0.00 . 1 . . . A 19 B3K HB . c30244_5us3 1 127 . 1 1 19 19 B3K HD2 H 1 1.355 0.00 . 2 . . . A 19 B3K HD2 . c30244_5us3 1 128 . 1 1 19 19 B3K HD3 H 1 1.355 0.00 . 2 . . . A 19 B3K HD3 . c30244_5us3 1 129 . 1 1 19 19 B3K HE2 H 1 1.588 0.00 . 2 . . . A 19 B3K HE2 . c30244_5us3 1 130 . 1 1 19 19 B3K HE3 H 1 1.588 0.00 . 2 . . . A 19 B3K HE3 . c30244_5us3 1 131 . 1 1 19 19 B3K HF1 H 1 2.925 0.00 . 2 . . . A 19 B3K HF1 . c30244_5us3 1 132 . 1 1 19 19 B3K HF2 H 1 2.925 0.00 . 2 . . . A 19 B3K HF2 . c30244_5us3 1 133 . 1 1 19 19 B3K HG2 H 1 1.536 0.00 . 2 . . . A 19 B3K HG2 . c30244_5us3 1 134 . 1 1 19 19 B3K HG3 H 1 1.536 0.00 . 2 . . . A 19 B3K HG3 . c30244_5us3 1 135 . 1 1 20 20 HIS H H 1 8.176 0.00 . 1 . . . A 20 HIS H . c30244_5us3 1 136 . 1 1 20 20 HIS HA H 1 4.212 0.00 . 1 . . . A 20 HIS HA . c30244_5us3 1 137 . 1 1 20 20 HIS HB2 H 1 2.709 0.00 . 2 . . . A 20 HIS HB2 . c30244_5us3 1 138 . 1 1 20 20 HIS HB3 H 1 3.293 0.00 . 2 . . . A 20 HIS HB3 . c30244_5us3 1 139 . 1 1 20 20 HIS HD2 H 1 7.159 0.00 . 1 . . . A 20 HIS HD2 . c30244_5us3 1 140 . 1 1 20 20 HIS HE1 H 1 7.887 0.00 . 1 . . . A 20 HIS HE1 . c30244_5us3 1 141 . 1 1 21 21 ILE H H 1 8.980 0.00 . 1 . . . A 21 ILE H . c30244_5us3 1 142 . 1 1 21 21 ILE HA H 1 3.425 0.00 . 1 . . . A 21 ILE HA . c30244_5us3 1 143 . 1 1 21 21 ILE HB H 1 1.939 0.00 . 1 . . . A 21 ILE HB . c30244_5us3 1 144 . 1 1 21 21 ILE HG12 H 1 1.390 0.00 . 2 . . . A 21 ILE HG12 . c30244_5us3 1 145 . 1 1 21 21 ILE HG13 H 1 1.390 0.00 . 2 . . . A 21 ILE HG13 . c30244_5us3 1 146 . 1 1 21 21 ILE HG21 H 1 0.974 0.00 . 1 . . . A 21 ILE HG21 . c30244_5us3 1 147 . 1 1 21 21 ILE HG22 H 1 0.974 0.00 . 1 . . . A 21 ILE HG22 . c30244_5us3 1 148 . 1 1 21 21 ILE HG23 H 1 0.974 0.00 . 1 . . . A 21 ILE HG23 . c30244_5us3 1 149 . 1 1 21 21 ILE HD11 H 1 0.938 0.00 . 1 . . . A 21 ILE HD11 . c30244_5us3 1 150 . 1 1 21 21 ILE HD12 H 1 0.938 0.00 . 1 . . . A 21 ILE HD12 . c30244_5us3 1 151 . 1 1 21 21 ILE HD13 H 1 0.938 0.00 . 1 . . . A 21 ILE HD13 . c30244_5us3 1 152 . 1 1 22 22 B3K H H 1 6.900 0.00 . 1 . . . A 22 B3K H . c30244_5us3 1 153 . 1 1 22 22 B3K HA1 H 1 2.359 0.00 . 2 . . . A 22 B3K HA1 . c30244_5us3 1 154 . 1 1 22 22 B3K HA2 H 1 2.526 0.00 . 2 . . . A 22 B3K HA2 . c30244_5us3 1 155 . 1 1 22 22 B3K HB H 1 3.987 0.00 . 1 . . . A 22 B3K HB . c30244_5us3 1 156 . 1 1 22 22 B3K HD2 H 1 1.390 0.00 . 2 . . . A 22 B3K HD2 . c30244_5us3 1 157 . 1 1 22 22 B3K HD3 H 1 1.390 0.00 . 2 . . . A 22 B3K HD3 . c30244_5us3 1 158 . 1 1 22 22 B3K HE2 H 1 1.515 0.00 . 2 . . . A 22 B3K HE2 . c30244_5us3 1 159 . 1 1 22 22 B3K HE3 H 1 1.515 0.00 . 2 . . . A 22 B3K HE3 . c30244_5us3 1 160 . 1 1 22 22 B3K HF1 H 1 2.985 0.00 . 2 . . . A 22 B3K HF1 . c30244_5us3 1 161 . 1 1 22 22 B3K HF2 H 1 2.985 0.00 . 2 . . . A 22 B3K HF2 . c30244_5us3 1 162 . 1 1 22 22 B3K HG2 H 1 1.630 0.00 . 2 . . . A 22 B3K HG2 . c30244_5us3 1 163 . 1 1 22 22 B3K HG3 H 1 1.630 0.00 . 2 . . . A 22 B3K HG3 . c30244_5us3 1 164 . 1 1 23 23 THR H H 1 7.570 0.00 . 1 . . . A 23 THR H . c30244_5us3 1 165 . 1 1 23 23 THR HA H 1 3.908 0.00 . 1 . . . A 23 THR HA . c30244_5us3 1 166 . 1 1 23 23 THR HB H 1 3.794 0.00 . 1 . . . A 23 THR HB . c30244_5us3 1 167 . 1 1 23 23 THR HG21 H 1 1.020 0.00 . 1 . . . A 23 THR HG21 . c30244_5us3 1 168 . 1 1 23 23 THR HG22 H 1 1.020 0.00 . 1 . . . A 23 THR HG22 . c30244_5us3 1 169 . 1 1 23 23 THR HG23 H 1 1.020 0.00 . 1 . . . A 23 THR HG23 . c30244_5us3 1 170 . 1 1 24 24 HIS H H 1 7.776 0.00 . 1 . . . A 24 HIS H . c30244_5us3 1 171 . 1 1 24 24 HIS HA H 1 4.776 0.00 . 1 . . . A 24 HIS HA . c30244_5us3 1 172 . 1 1 24 24 HIS HB2 H 1 3.272 0.00 . 2 . . . A 24 HIS HB2 . c30244_5us3 1 173 . 1 1 24 24 HIS HB3 H 1 3.357 0.00 . 2 . . . A 24 HIS HB3 . c30244_5us3 1 174 . 1 1 24 24 HIS HD2 H 1 6.383 0.00 . 1 . . . A 24 HIS HD2 . c30244_5us3 1 175 . 1 1 24 24 HIS HE1 H 1 7.900 0.00 . 1 . . . A 24 HIS HE1 . c30244_5us3 1 176 . 1 1 25 25 B3Q H8 H 1 2.447 0.00 . 2 . . . A 25 B3Q H8 . c30244_5us3 1 177 . 1 1 25 25 B3Q H9 H 1 2.322 0.00 . 2 . . . A 25 B3Q H9 . c30244_5us3 1 178 . 1 1 25 25 B3Q H11 H 1 6.907 0.00 . 2 . . . A 25 B3Q H11 . c30244_5us3 1 179 . 1 1 25 25 B3Q H12 H 1 7.663 0.00 . 2 . . . A 25 B3Q H12 . c30244_5us3 1 180 . 1 1 25 25 B3Q HA H 1 2.545 0.00 . 2 . . . A 25 B3Q HA . c30244_5us3 1 181 . 1 1 25 25 B3Q HAA H 1 2.545 0.00 . 2 . . . A 25 B3Q HAA . c30244_5us3 1 182 . 1 1 25 25 B3Q HB H 1 4.242 0.00 . 1 . . . A 25 B3Q HB . c30244_5us3 1 183 . 1 1 25 25 B3Q HG H 1 1.908 0.00 . 2 . . . A 25 B3Q HG . c30244_5us3 1 184 . 1 1 25 25 B3Q HGA H 1 1.725 0.00 . 2 . . . A 25 B3Q HGA . c30244_5us3 1 185 . 1 1 25 25 B3Q HN H 1 7.496 0.00 . 1 . . . A 25 B3Q HN . c30244_5us3 1 186 . 1 1 26 26 ASN H H 1 8.519 0.00 . 1 . . . A 26 ASN H . c30244_5us3 1 187 . 1 1 26 26 ASN HA H 1 4.609 0.00 . 1 . . . A 26 ASN HA . c30244_5us3 1 188 . 1 1 26 26 ASN HB2 H 1 2.764 0.00 . 2 . . . A 26 ASN HB2 . c30244_5us3 1 189 . 1 1 26 26 ASN HB3 H 1 2.851 0.00 . 2 . . . A 26 ASN HB3 . c30244_5us3 1 190 . 1 1 26 26 ASN HD21 H 1 7.015 0.00 . 2 . . . A 26 ASN HD21 . c30244_5us3 1 191 . 1 1 26 26 ASN HD22 H 1 7.738 0.00 . 2 . . . A 26 ASN HD22 . c30244_5us3 1 192 . 1 1 27 27 LYS H H 1 8.471 0.00 . 1 . . . A 27 LYS H . c30244_5us3 1 193 . 1 1 27 27 LYS HA H 1 4.319 0.00 . 1 . . . A 27 LYS HA . c30244_5us3 1 194 . 1 1 27 27 LYS HB2 H 1 1.795 0.00 . 2 . . . A 27 LYS HB2 . c30244_5us3 1 195 . 1 1 27 27 LYS HB3 H 1 1.898 0.00 . 2 . . . A 27 LYS HB3 . c30244_5us3 1 196 . 1 1 27 27 LYS HG2 H 1 1.445 0.00 . 2 . . . A 27 LYS HG2 . c30244_5us3 1 197 . 1 1 27 27 LYS HG3 H 1 1.445 0.00 . 2 . . . A 27 LYS HG3 . c30244_5us3 1 198 . 1 1 27 27 LYS HD2 H 1 1.688 0.00 . 2 . . . A 27 LYS HD2 . c30244_5us3 1 199 . 1 1 27 27 LYS HD3 H 1 1.688 0.00 . 2 . . . A 27 LYS HD3 . c30244_5us3 1 200 . 1 1 27 27 LYS HE2 H 1 3.005 0.00 . 2 . . . A 27 LYS HE2 . c30244_5us3 1 201 . 1 1 27 27 LYS HE3 H 1 3.005 0.00 . 2 . . . A 27 LYS HE3 . c30244_5us3 1 202 . 1 1 28 28 LYS H H 1 8.434 0.00 . 1 . . . A 28 LYS H . c30244_5us3 1 203 . 1 1 28 28 LYS HA H 1 4.259 0.00 . 1 . . . A 28 LYS HA . c30244_5us3 1 204 . 1 1 28 28 LYS HB2 H 1 1.804 0.00 . 2 . . . A 28 LYS HB2 . c30244_5us3 1 205 . 1 1 28 28 LYS HB3 H 1 1.860 0.00 . 2 . . . A 28 LYS HB3 . c30244_5us3 1 206 . 1 1 28 28 LYS HG2 H 1 1.459 0.00 . 2 . . . A 28 LYS HG2 . c30244_5us3 1 207 . 1 1 28 28 LYS HG3 H 1 1.459 0.00 . 2 . . . A 28 LYS HG3 . c30244_5us3 1 208 . 1 1 28 28 LYS HD2 H 1 1.690 0.00 . 2 . . . A 28 LYS HD2 . c30244_5us3 1 209 . 1 1 28 28 LYS HD3 H 1 1.690 0.00 . 2 . . . A 28 LYS HD3 . c30244_5us3 1 210 . 1 1 28 28 LYS HE2 H 1 3.008 0.00 . 2 . . . A 28 LYS HE2 . c30244_5us3 1 211 . 1 1 28 28 LYS HE3 H 1 3.008 0.00 . 2 . . . A 28 LYS HE3 . c30244_5us3 1 212 . 1 1 29 29 NH2 HN1 H 1 7.699 0.00 . 2 . . . A 29 NH2 HN1 . c30244_5us3 1 213 . 1 1 29 29 NH2 HN2 H 1 7.243 0.00 . 2 . . . A 29 NH2 HN2 . c30244_5us3 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 c30244_5us3 _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 9 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 c30244_5us3 _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 . . . c30244_5us3 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 . . . . c30244_5us3 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 LYS C C 6.384 3.184 4.969 . . . 1.0 . . . . . . . . . . . . A . 1 LYS C . . . . . . . . . c30244_5us3 1 . 1 . 2 . 1 1 1 LYS CA C 6.998 2.296 6.054 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CA . . . . . . . . . c30244_5us3 1 . 1 . 3 . 1 1 1 LYS CB C 6.950 3.011 7.413 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CB . . . . . . . . . c30244_5us3 1 . 1 . 4 . 1 1 1 LYS CD C 7.118 2.851 9.916 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CD . . . . . . . . . c30244_5us3 1 . 1 . 5 . 1 1 1 LYS CE C 7.348 1.930 11.104 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CE . . . . . . . . . c30244_5us3 1 . 1 . 6 . 1 1 1 LYS CG C 7.186 2.091 8.601 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CG . . . . . . . . . c30244_5us3 1 . 1 . 7 . 1 1 1 LYS H1 H 8.423 1.407 4.813 . . . 1.0 . . . . . . . . . . . . A . 1 LYS H1 . . . . . . . . . c30244_5us3 1 . 1 . 8 . 1 1 1 LYS H2 H 8.803 1.326 6.460 . . . 1.0 . . . . . . . . . . . . A . 1 LYS H2 . . . . . . . . . c30244_5us3 1 . 1 . 9 . 1 1 1 LYS H3 H 8.982 2.784 5.622 . . . 1.0 . . . . . . . . . . . . A . 1 LYS H3 . . . . . . . . . c30244_5us3 1 . 1 . 10 . 1 1 1 LYS HA H 6.420 1.385 6.118 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HA . . . . . . . . . c30244_5us3 1 . 1 . 11 . 1 1 1 LYS HB2 H 7.707 3.781 7.427 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HB2 . . . . . . . . . c30244_5us3 1 . 1 . 12 . 1 1 1 LYS HB3 H 5.980 3.471 7.529 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HB3 . . . . . . . . . c30244_5us3 1 . 1 . 13 . 1 1 1 LYS HD2 H 7.877 3.619 9.916 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HD2 . . . . . . . . . c30244_5us3 1 . 1 . 14 . 1 1 1 LYS HD3 H 6.143 3.305 10.008 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HD3 . . . . . . . . . c30244_5us3 1 . 1 . 15 . 1 1 1 LYS HE2 H 6.592 1.160 11.098 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HE2 . . . . . . . . . c30244_5us3 1 . 1 . 16 . 1 1 1 LYS HE3 H 8.324 1.477 11.007 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HE3 . . . . . . . . . c30244_5us3 1 . 1 . 17 . 1 1 1 LYS HG2 H 6.430 1.320 8.604 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HG2 . . . . . . . . . c30244_5us3 1 . 1 . 18 . 1 1 1 LYS HG3 H 8.163 1.639 8.506 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HG3 . . . . . . . . . c30244_5us3 1 . 1 . 19 . 1 1 1 LYS HZ1 H 7.443 2.011 13.189 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HZ1 . . . . . . . . . c30244_5us3 1 . 1 . 20 . 1 1 1 LYS HZ2 H 6.345 3.104 12.511 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HZ2 . . . . . . . . . c30244_5us3 1 . 1 . 21 . 1 1 1 LYS HZ3 H 8.006 3.411 12.423 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HZ3 . . . . . . . . . c30244_5us3 1 . 1 . 22 . 1 1 1 LYS N N 8.399 1.928 5.714 . . . 1.0 . . . . . . . . . . . . A . 1 LYS N . . . . . . . . . c30244_5us3 1 . 1 . 23 . 1 1 1 LYS NZ N 7.281 2.665 12.397 . . . 1.0 . . . . . . . . . . . . A . 1 LYS NZ . . . . . . . . . c30244_5us3 1 . 1 . 24 . 1 1 1 LYS O O 5.261 2.936 4.522 . . . 1.0 . . . . . . . . . . . . A . 1 LYS O . . . . . . . . . c30244_5us3 1 . 1 . 25 . 1 1 2 TYR C C 6.902 4.561 2.099 . . . 1.0 . . . . . . . . . . . . A . 2 TYR C . . . . . . . . . c30244_5us3 1 . 1 . 26 . 1 1 2 TYR CA C 6.692 5.152 3.507 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CA . . . . . . . . . c30244_5us3 1 . 1 . 27 . 1 1 2 TYR CB C 7.461 6.473 3.640 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CB . . . . . . . . . c30244_5us3 1 . 1 . 28 . 1 1 2 TYR CD1 C 6.062 8.222 4.807 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CD1 . . . . . . . . . c30244_5us3 1 . 1 . 29 . 1 1 2 TYR CD2 C 7.746 7.102 6.069 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CD2 . . . . . . . . . c30244_5us3 1 . 1 . 30 . 1 1 2 TYR CE1 C 5.713 8.962 5.921 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CE1 . . . . . . . . . c30244_5us3 1 . 1 . 31 . 1 1 2 TYR CE2 C 7.403 7.838 7.187 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CE2 . . . . . . . . . c30244_5us3 1 . 1 . 32 . 1 1 2 TYR CG C 7.082 7.281 4.862 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CG . . . . . . . . . c30244_5us3 1 . 1 . 33 . 1 1 2 TYR CZ C 6.387 8.766 7.108 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CZ . . . . . . . . . c30244_5us3 1 . 1 . 34 . 1 1 2 TYR H H 8.026 4.336 4.942 . . . 1.0 . . . . . . . . . . . . A . 2 TYR H . . . . . . . . . c30244_5us3 1 . 1 . 35 . 1 1 2 TYR HA H 5.640 5.338 3.659 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HA . . . . . . . . . c30244_5us3 1 . 1 . 36 . 1 1 2 TYR HB2 H 8.518 6.258 3.703 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HB2 . . . . . . . . . c30244_5us3 1 . 1 . 37 . 1 1 2 TYR HB3 H 7.277 7.081 2.767 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HB3 . . . . . . . . . c30244_5us3 1 . 1 . 38 . 1 1 2 TYR HD1 H 5.536 8.373 3.876 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HD1 . . . . . . . . . c30244_5us3 1 . 1 . 39 . 1 1 2 TYR HD2 H 8.542 6.375 6.128 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HD2 . . . . . . . . . c30244_5us3 1 . 1 . 40 . 1 1 2 TYR HE1 H 4.917 9.689 5.858 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HE1 . . . . . . . . . c30244_5us3 1 . 1 . 41 . 1 1 2 TYR HE2 H 7.931 7.685 8.117 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HE2 . . . . . . . . . c30244_5us3 1 . 1 . 42 . 1 1 2 TYR HH H 5.086 9.520 8.308 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HH . . . . . . . . . c30244_5us3 1 . 1 . 43 . 1 1 2 TYR N N 7.139 4.210 4.544 . . . 1.0 . . . . . . . . . . . . A . 2 TYR N . . . . . . . . . c30244_5us3 1 . 1 . 44 . 1 1 2 TYR O O 7.814 3.746 1.927 . . . 1.0 . . . . . . . . . . . . A . 2 TYR O . . . . . . . . . c30244_5us3 1 . 1 . 45 . 1 1 2 TYR OH O 6.042 9.501 8.219 . . . 1.0 . . . . . . . . . . . . A . 2 TYR OH . . . . . . . . . c30244_5us3 1 . 1 . 46 . 1 1 3 . C C 5.854 2.939 -0.419 . . . 1.0 . . . . . . . . . . . . A . 3 MAA C . . . . . . . . . c30244_5us3 1 . 1 . 47 . 1 1 3 . CA C 6.206 4.406 -0.335 . . . 1.0 . . . . . . . . . . . . A . 3 MAA CA . . . . . . . . . c30244_5us3 1 . 1 . 48 . 1 1 3 . CB C 7.627 4.550 -0.851 . . . 1.0 . . . . . . . . . . . . A . 3 MAA CB . . . . . . . . . c30244_5us3 1 . 1 . 49 . 1 1 3 . CM C 4.932 5.880 1.305 . . . 1.0 . . . . . . . . . . . . A . 3 MAA CM . . . . . . . . . c30244_5us3 1 . 1 . 50 . 1 1 3 . HA H 5.551 4.935 -1.039 . . . 1.0 . . . . . . . . . . . . A . 3 MAA HA . . . . . . . . . c30244_5us3 1 . 1 . 51 . 1 1 3 . HB1 H 8.311 4.582 -0.019 . . . 1.0 . . . . . . . . . . . . A . 3 MAA HB1 . . . . . . . . . c30244_5us3 1 . 1 . 52 . 1 1 3 . HB2 H 7.715 5.451 -1.436 . . . 1.0 . . . . . . . . . . . . A . 3 MAA HB2 . . . . . . . . . c30244_5us3 1 . 1 . 53 . 1 1 3 . HB3 H 7.848 3.685 -1.466 . . . 1.0 . . . . . . . . . . . . A . 3 MAA HB3 . . . . . . . . . c30244_5us3 1 . 1 . 54 . 1 1 3 . HM1 H 4.522 6.213 0.365 . . . 1.0 . . . . . . . . . . . . A . 3 MAA HM1 . . . . . . . . . c30244_5us3 1 . 1 . 55 . 1 1 3 . HM2 H 5.289 6.734 1.860 . . . 1.0 . . . . . . . . . . . . A . 3 MAA HM2 . . . . . . . . . c30244_5us3 1 . 1 . 56 . 1 1 3 . HM3 H 4.163 5.379 1.872 . . . 1.0 . . . . . . . . . . . . A . 3 MAA HM3 . . . . . . . . . c30244_5us3 1 . 1 . 57 . 1 1 3 . N N 6.057 4.938 1.057 . . . 1.0 . . . . . . . . . . . . A . 3 MAA N . . . . . . . . . c30244_5us3 1 . 1 . 58 . 1 1 3 . O O 6.014 2.180 0.538 . . . 1.0 . . . . . . . . . . . . A . 3 MAA O . . . . . . . . . c30244_5us3 1 . 1 . 59 . 1 1 4 CYS C C 6.221 0.280 -2.128 . . . 1.0 . . . . . . . . . . . . A . 4 CYS C . . . . . . . . . c30244_5us3 1 . 1 . 60 . 1 1 4 CYS CA C 5.039 1.213 -1.933 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CA . . . . . . . . . c30244_5us3 1 . 1 . 61 . 1 1 4 CYS CB C 4.178 1.266 -3.153 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CB . . . . . . . . . c30244_5us3 1 . 1 . 62 . 1 1 4 CYS H H 5.376 3.240 -2.316 . . . 1.0 . . . . . . . . . . . . A . 4 CYS H . . . . . . . . . c30244_5us3 1 . 1 . 63 . 1 1 4 CYS HA H 4.459 0.805 -1.128 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HA . . . . . . . . . c30244_5us3 1 . 1 . 64 . 1 1 4 CYS HB2 H 3.208 1.652 -2.880 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB2 . . . . . . . . . c30244_5us3 1 . 1 . 65 . 1 1 4 CYS HB3 H 4.633 1.916 -3.879 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB3 . . . . . . . . . c30244_5us3 1 . 1 . 66 . 1 1 4 CYS N N 5.431 2.563 -1.611 . . . 1.0 . . . . . . . . . . . . A . 4 CYS N . . . . . . . . . c30244_5us3 1 . 1 . 67 . 1 1 4 CYS O O 7.255 0.655 -2.687 . . . 1.0 . . . . . . . . . . . . A . 4 CYS O . . . . . . . . . c30244_5us3 1 . 1 . 68 . 1 1 4 CYS SG S 3.929 -0.319 -3.917 . . . 1.0 . . . . . . . . . . . . A . 4 CYS SG . . . . . . . . . c30244_5us3 1 . 1 . 69 . 1 1 5 PRO C C 7.065 -2.928 -2.931 . . . 1.0 . . . . . . . . . . . . A . 5 PRO C . . . . . . . . . c30244_5us3 1 . 1 . 70 . 1 1 5 PRO CA C 7.069 -2.013 -1.694 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CA . . . . . . . . . c30244_5us3 1 . 1 . 71 . 1 1 5 PRO CB C 6.656 -2.799 -0.461 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CB . . . . . . . . . c30244_5us3 1 . 1 . 72 . 1 1 5 PRO CD C 4.813 -1.455 -0.940 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CD . . . . . . . . . c30244_5us3 1 . 1 . 73 . 1 1 5 PRO CG C 5.178 -2.854 -0.592 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CG . . . . . . . . . c30244_5us3 1 . 1 . 74 . 1 1 5 PRO HA H 8.051 -1.611 -1.550 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HA . . . . . . . . . c30244_5us3 1 . 1 . 75 . 1 1 5 PRO HB2 H 7.101 -3.782 -0.462 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HB2 . . . . . . . . . c30244_5us3 1 . 1 . 76 . 1 1 5 PRO HB3 H 6.917 -2.246 0.425 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HB3 . . . . . . . . . c30244_5us3 1 . 1 . 77 . 1 1 5 PRO HD2 H 3.951 -1.436 -1.593 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HD2 . . . . . . . . . c30244_5us3 1 . 1 . 78 . 1 1 5 PRO HD3 H 4.630 -0.883 -0.043 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HD3 . . . . . . . . . c30244_5us3 1 . 1 . 79 . 1 1 5 PRO HG2 H 4.905 -3.518 -1.403 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HG2 . . . . . . . . . c30244_5us3 1 . 1 . 80 . 1 1 5 PRO HG3 H 4.716 -3.147 0.334 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HG3 . . . . . . . . . c30244_5us3 1 . 1 . 81 . 1 1 5 PRO N N 6.043 -0.966 -1.647 . . . 1.0 . . . . . . . . . . . . A . 5 PRO N . . . . . . . . . c30244_5us3 1 . 1 . 82 . 1 1 5 PRO O O 8.085 -3.561 -3.220 . . . 1.0 . . . . . . . . . . . . A . 5 PRO O . . . . . . . . . c30244_5us3 1 . 1 . 83 . 1 1 6 GLU C C 5.330 -3.283 -6.084 . . . 1.0 . . . . . . . . . . . . A . 6 GLU C . . . . . . . . . c30244_5us3 1 . 1 . 84 . 1 1 6 GLU CA C 5.870 -3.929 -4.814 . . . 1.0 . . . . . . . . . . . . A . 6 GLU CA . . . . . . . . . c30244_5us3 1 . 1 . 85 . 1 1 6 GLU CB C 5.060 -5.217 -4.515 . . . 1.0 . . . . . . . . . . . . A . 6 GLU CB . . . . . . . . . c30244_5us3 1 . 1 . 86 . 1 1 6 GLU CD C 4.649 -7.052 -2.825 . . . 1.0 . . . . . . . . . . . . A . 6 GLU CD . . . . . . . . . c30244_5us3 1 . 1 . 87 . 1 1 6 GLU CG C 4.918 -5.576 -3.042 . . . 1.0 . . . . . . . . . . . . A . 6 GLU CG . . . . . . . . . c30244_5us3 1 . 1 . 88 . 1 1 6 GLU H H 5.174 -2.394 -3.437 . . . 1.0 . . . . . . . . . . . . A . 6 GLU H . . . . . . . . . c30244_5us3 1 . 1 . 89 . 1 1 6 GLU HA H 6.885 -4.227 -5.016 . . . 1.0 . . . . . . . . . . . . A . 6 GLU HA . . . . . . . . . c30244_5us3 1 . 1 . 90 . 1 1 6 GLU HB2 H 4.071 -5.109 -4.929 . . . 1.0 . . . . . . . . . . . . A . 6 GLU HB2 . . . . . . . . . c30244_5us3 1 . 1 . 91 . 1 1 6 GLU HB3 H 5.546 -6.046 -5.011 . . . 1.0 . . . . . . . . . . . . A . 6 GLU HB3 . . . . . . . . . c30244_5us3 1 . 1 . 92 . 1 1 6 GLU HG2 H 5.829 -5.309 -2.528 . . . 1.0 . . . . . . . . . . . . A . 6 GLU HG2 . . . . . . . . . c30244_5us3 1 . 1 . 93 . 1 1 6 GLU HG3 H 4.093 -5.013 -2.632 . . . 1.0 . . . . . . . . . . . . A . 6 GLU HG3 . . . . . . . . . c30244_5us3 1 . 1 . 94 . 1 1 6 GLU N N 5.938 -3.001 -3.654 . . . 1.0 . . . . . . . . . . . . A . 6 GLU N . . . . . . . . . c30244_5us3 1 . 1 . 95 . 1 1 6 GLU O O 5.498 -3.840 -7.175 . . . 1.0 . . . . . . . . . . . . A . 6 GLU O . . . . . . . . . c30244_5us3 1 . 1 . 96 . 1 1 6 GLU OE1 O 3.463 -7.438 -2.772 . . . 1.0 . . . . . . . . . . . . A . 6 GLU OE1 . . . . . . . . . c30244_5us3 1 . 1 . 97 . 1 1 6 GLU OE2 O 5.625 -7.823 -2.710 . . . 1.0 . . . . . . . . . . . . A . 6 GLU OE2 . . . . . . . . . c30244_5us3 1 . 1 . 98 . 1 1 7 CYS C C 4.468 0.072 -7.089 . . . 1.0 . . . . . . . . . . . . A . 7 CYS C . . . . . . . . . c30244_5us3 1 . 1 . 99 . 1 1 7 CYS CA C 4.159 -1.431 -7.123 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CA . . . . . . . . . c30244_5us3 1 . 1 . 100 . 1 1 7 CYS CB C 2.661 -1.702 -7.374 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CB . . . . . . . . . c30244_5us3 1 . 1 . 101 . 1 1 7 CYS H H 4.642 -1.703 -5.082 . . . 1.0 . . . . . . . . . . . . A . 7 CYS H . . . . . . . . . c30244_5us3 1 . 1 . 102 . 1 1 7 CYS HA H 4.696 -1.850 -7.949 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HA . . . . . . . . . c30244_5us3 1 . 1 . 103 . 1 1 7 CYS HB2 H 2.486 -1.656 -8.432 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB2 . . . . . . . . . c30244_5us3 1 . 1 . 104 . 1 1 7 CYS HB3 H 2.427 -2.691 -7.019 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB3 . . . . . . . . . c30244_5us3 1 . 1 . 105 . 1 1 7 CYS N N 4.695 -2.120 -5.958 . . . 1.0 . . . . . . . . . . . . A . 7 CYS N . . . . . . . . . c30244_5us3 1 . 1 . 106 . 1 1 7 CYS O O 4.270 0.733 -6.082 . . . 1.0 . . . . . . . . . . . . A . 7 CYS O . . . . . . . . . c30244_5us3 1 . 1 . 107 . 1 1 7 CYS SG S 1.478 -0.556 -6.617 . . . 1.0 . . . . . . . . . . . . A . 7 CYS SG . . . . . . . . . c30244_5us3 1 . 1 . 108 . 1 1 8 PRO C C 4.379 3.104 -7.930 . . . 1.0 . . . . . . . . . . . . A . 8 PRO C . . . . . . . . . c30244_5us3 1 . 1 . 109 . 1 1 8 PRO CA C 5.377 2.024 -8.417 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CA . . . . . . . . . c30244_5us3 1 . 1 . 110 . 1 1 8 PRO CB C 5.543 2.098 -9.938 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CB . . . . . . . . . c30244_5us3 1 . 1 . 111 . 1 1 8 PRO CD C 5.311 -0.209 -9.390 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CD . . . . . . . . . c30244_5us3 1 . 1 . 112 . 1 1 8 PRO CG C 5.999 0.741 -10.331 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CG . . . . . . . . . c30244_5us3 1 . 1 . 113 . 1 1 8 PRO HA H 6.336 2.221 -7.961 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HA . . . . . . . . . c30244_5us3 1 . 1 . 114 . 1 1 8 PRO HB2 H 4.593 2.341 -10.400 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HB2 . . . . . . . . . c30244_5us3 1 . 1 . 115 . 1 1 8 PRO HB3 H 6.287 2.833 -10.199 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HB3 . . . . . . . . . c30244_5us3 1 . 1 . 116 . 1 1 8 PRO HD2 H 4.407 -0.597 -9.819 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HD2 . . . . . . . . . c30244_5us3 1 . 1 . 117 . 1 1 8 PRO HD3 H 5.970 -1.017 -9.099 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HD3 . . . . . . . . . c30244_5us3 1 . 1 . 118 . 1 1 8 PRO HG2 H 5.711 0.539 -11.355 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HG2 . . . . . . . . . c30244_5us3 1 . 1 . 119 . 1 1 8 PRO HG3 H 7.069 0.663 -10.217 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HG3 . . . . . . . . . c30244_5us3 1 . 1 . 120 . 1 1 8 PRO N N 4.991 0.602 -8.215 . . . 1.0 . . . . . . . . . . . . A . 8 PRO N . . . . . . . . . c30244_5us3 1 . 1 . 121 . 1 1 8 PRO O O 4.387 4.227 -8.452 . . . 1.0 . . . . . . . . . . . . A . 8 PRO O . . . . . . . . . c30244_5us3 1 . 1 . 122 . 1 1 9 LYS C C 3.288 4.249 -5.079 . . . 1.0 . . . . . . . . . . . . A . 9 LYS C . . . . . . . . . c30244_5us3 1 . 1 . 123 . 1 1 9 LYS CA C 2.625 3.724 -6.369 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CA . . . . . . . . . c30244_5us3 1 . 1 . 124 . 1 1 9 LYS CB C 1.282 3.027 -6.114 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CB . . . . . . . . . c30244_5us3 1 . 1 . 125 . 1 1 9 LYS CD C -0.362 3.378 -7.993 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CD . . . . . . . . . c30244_5us3 1 . 1 . 126 . 1 1 9 LYS CE C -1.566 4.169 -8.488 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CE . . . . . . . . . c30244_5us3 1 . 1 . 127 . 1 1 9 LYS CG C 0.065 3.813 -6.597 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CG . . . . . . . . . c30244_5us3 1 . 1 . 128 . 1 1 9 LYS H H 3.532 1.889 -6.551 . . . 1.0 . . . . . . . . . . . . A . 9 LYS H . . . . . . . . . c30244_5us3 1 . 1 . 129 . 1 1 9 LYS HA H 2.489 4.530 -7.063 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HA . . . . . . . . . c30244_5us3 1 . 1 . 130 . 1 1 9 LYS HB2 H 1.289 2.078 -6.630 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB2 . . . . . . . . . c30244_5us3 1 . 1 . 131 . 1 1 9 LYS HB3 H 1.178 2.843 -5.056 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB3 . . . . . . . . . c30244_5us3 1 . 1 . 132 . 1 1 9 LYS HD2 H 0.460 3.533 -8.675 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD2 . . . . . . . . . c30244_5us3 1 . 1 . 133 . 1 1 9 LYS HD3 H -0.618 2.329 -7.969 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD3 . . . . . . . . . c30244_5us3 1 . 1 . 134 . 1 1 9 LYS HE2 H -1.974 3.672 -9.356 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE2 . . . . . . . . . c30244_5us3 1 . 1 . 135 . 1 1 9 LYS HE3 H -2.311 4.191 -7.706 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE3 . . . . . . . . . c30244_5us3 1 . 1 . 136 . 1 1 9 LYS HG2 H -0.756 3.648 -5.915 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG2 . . . . . . . . . c30244_5us3 1 . 1 . 137 . 1 1 9 LYS HG3 H 0.308 4.866 -6.621 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG3 . . . . . . . . . c30244_5us3 1 . 1 . 138 . 1 1 9 LYS HZ1 H -2.052 6.078 -9.188 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ1 . . . . . . . . . c30244_5us3 1 . 1 . 139 . 1 1 9 LYS HZ2 H -0.498 5.568 -9.616 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ2 . . . . . . . . . c30244_5us3 1 . 1 . 140 . 1 1 9 LYS HZ3 H -0.817 6.066 -8.031 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ3 . . . . . . . . . c30244_5us3 1 . 1 . 141 . 1 1 9 LYS N N 3.537 2.785 -6.932 . . . 1.0 . . . . . . . . . . . . A . 9 LYS N . . . . . . . . . c30244_5us3 1 . 1 . 142 . 1 1 9 LYS NZ N -1.208 5.568 -8.857 . . . 1.0 . . . . . . . . . . . . A . 9 LYS NZ . . . . . . . . . c30244_5us3 1 . 1 . 143 . 1 1 9 LYS O O 3.232 3.586 -4.046 . . . 1.0 . . . . . . . . . . . . A . 9 LYS O . . . . . . . . . c30244_5us3 1 . 1 . 144 . 1 1 10 MMO C C 4.141 7.388 -3.583 . . . 1.0 . . . . . . . . . . . . A . 10 MMO C . . . . . . . . . c30244_5us3 1 . 1 . 145 . 1 1 10 MMO CA C 4.633 5.982 -3.914 . . . 1.0 . . . . . . . . . . . . A . 10 MMO CA . . . . . . . . . c30244_5us3 1 . 1 . 146 . 1 1 10 MMO CB C 6.135 5.964 -4.254 . . . 1.0 . . . . . . . . . . . . A . 10 MMO CB . . . . . . . . . c30244_5us3 1 . 1 . 147 . 1 1 10 MMO CD C 8.254 4.618 -4.292 . . . 1.0 . . . . . . . . . . . . A . 10 MMO CD . . . . . . . . . c30244_5us3 1 . 1 . 148 . 1 1 10 MMO CG C 6.741 4.580 -4.157 . . . 1.0 . . . . . . . . . . . . A . 10 MMO CG . . . . . . . . . c30244_5us3 1 . 1 . 149 . 1 1 10 MMO CN C 3.836 6.303 -6.314 . . . 1.0 . . . . . . . . . . . . A . 10 MMO CN . . . . . . . . . c30244_5us3 1 . 1 . 150 . 1 1 10 MMO CZ C 10.160 3.019 -4.288 . . . 1.0 . . . . . . . . . . . . A . 10 MMO CZ . . . . . . . . . c30244_5us3 1 . 1 . 151 . 1 1 10 MMO HA H 4.444 5.324 -3.064 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HA . . . . . . . . . c30244_5us3 1 . 1 . 152 . 1 1 10 MMO HC1 H 2.797 6.506 -6.512 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HC1 . . . . . . . . . c30244_5us3 1 . 1 . 153 . 1 1 10 MMO HC2 H 4.290 5.804 -7.152 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HC2 . . . . . . . . . c30244_5us3 1 . 1 . 154 . 1 1 10 MMO HC3 H 4.349 7.228 -6.112 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HC3 . . . . . . . . . c30244_5us3 1 . 1 . 155 . 1 1 10 MMO HCB1 H 6.659 6.614 -3.569 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HCB1 . . . . . . . . . c30244_5us3 1 . 1 . 156 . 1 1 10 MMO HCB2 H 6.274 6.327 -5.262 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HCB2 . . . . . . . . . c30244_5us3 1 . 1 . 157 . 1 1 10 MMO HCD1 H 8.657 5.213 -3.486 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HCD1 . . . . . . . . . c30244_5us3 1 . 1 . 158 . 1 1 10 MMO HCD2 H 8.507 5.074 -5.237 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HCD2 . . . . . . . . . c30244_5us3 1 . 1 . 159 . 1 1 10 MMO HCG1 H 6.330 3.963 -4.942 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HCG1 . . . . . . . . . c30244_5us3 1 . 1 . 160 . 1 1 10 MMO HCG2 H 6.480 4.165 -3.197 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HCG2 . . . . . . . . . c30244_5us3 1 . 1 . 161 . 1 1 10 MMO HH11 H 12.028 3.790 -4.438 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HH11 . . . . . . . . . c30244_5us3 1 . 1 . 162 . 1 1 10 MMO HH12 H 10.744 4.953 -4.446 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HH12 . . . . . . . . . c30244_5us3 1 . 1 . 163 . 1 1 10 MMO HH21 H 9.924 1.017 -4.144 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HH21 . . . . . . . . . c30244_5us3 1 . 1 . 164 . 1 1 10 MMO HH22 H 11.563 1.564 -4.267 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HH22 . . . . . . . . . c30244_5us3 1 . 1 . 165 . 1 1 10 MMO N N 3.933 5.449 -5.113 . . . 1.0 . . . . . . . . . . . . A . 10 MMO N . . . . . . . . . c30244_5us3 1 . 1 . 166 . 1 1 10 MMO NE N 8.845 3.277 -4.235 . . . 1.0 . . . . . . . . . . . . A . 10 MMO NE . . . . . . . . . c30244_5us3 1 . 1 . 167 . 1 1 10 MMO NH1 N 11.051 4.002 -4.400 . . . 1.0 . . . . . . . . . . . . A . 10 MMO NH1 . . . . . . . . . c30244_5us3 1 . 1 . 168 . 1 1 10 MMO NH2 N 10.583 1.764 -4.228 . . . 1.0 . . . . . . . . . . . . A . 10 MMO NH2 . . . . . . . . . c30244_5us3 1 . 1 . 169 . 1 1 10 MMO O O 4.329 8.343 -4.348 . . . 1.0 . . . . . . . . . . . . A . 10 MMO O . . . . . . . . . c30244_5us3 1 . 1 . 170 . 1 1 11 PHE C C 3.637 9.385 -0.868 . . . 1.0 . . . . . . . . . . . . A . 11 PHE C . . . . . . . . . c30244_5us3 1 . 1 . 171 . 1 1 11 PHE CA C 2.875 8.699 -1.993 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CA . . . . . . . . . c30244_5us3 1 . 1 . 172 . 1 1 11 PHE CB C 1.412 8.311 -1.612 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CB . . . . . . . . . c30244_5us3 1 . 1 . 173 . 1 1 11 PHE CD1 C 1.100 6.395 -3.242 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CD1 . . . . . . . . . c30244_5us3 1 . 1 . 174 . 1 1 11 PHE CD2 C 0.894 5.924 -0.904 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CD2 . . . . . . . . . c30244_5us3 1 . 1 . 175 . 1 1 11 PHE CE1 C 0.901 5.069 -3.536 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CE1 . . . . . . . . . c30244_5us3 1 . 1 . 176 . 1 1 11 PHE CE2 C 0.677 4.592 -1.207 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CE2 . . . . . . . . . c30244_5us3 1 . 1 . 177 . 1 1 11 PHE CG C 1.101 6.851 -1.921 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CG . . . . . . . . . c30244_5us3 1 . 1 . 178 . 1 1 11 PHE CZ C 0.685 4.168 -2.535 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CZ . . . . . . . . . c30244_5us3 1 . 1 . 179 . 1 1 11 PHE H H 3.573 6.732 -1.821 . . . 1.0 . . . . . . . . . . . . A . 11 PHE H . . . . . . . . . c30244_5us3 1 . 1 . 180 . 1 1 11 PHE HA H 2.842 9.370 -2.838 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HA . . . . . . . . . c30244_5us3 1 . 1 . 181 . 1 1 11 PHE HB2 H 1.261 8.470 -0.556 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HB2 . . . . . . . . . c30244_5us3 1 . 1 . 182 . 1 1 11 PHE HB3 H 0.721 8.926 -2.170 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HB3 . . . . . . . . . c30244_5us3 1 . 1 . 183 . 1 1 11 PHE HD1 H 1.262 7.098 -4.042 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HD1 . . . . . . . . . c30244_5us3 1 . 1 . 184 . 1 1 11 PHE HD2 H 0.900 6.244 0.136 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HD2 . . . . . . . . . c30244_5us3 1 . 1 . 185 . 1 1 11 PHE HE1 H 0.942 4.719 -4.572 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HE1 . . . . . . . . . c30244_5us3 1 . 1 . 186 . 1 1 11 PHE HE2 H 0.499 3.889 -0.409 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HE2 . . . . . . . . . c30244_5us3 1 . 1 . 187 . 1 1 11 PHE HZ H 0.546 3.128 -2.794 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HZ . . . . . . . . . c30244_5us3 1 . 1 . 188 . 1 1 11 PHE N N 3.541 7.490 -2.426 . . . 1.0 . . . . . . . . . . . . A . 11 PHE N . . . . . . . . . c30244_5us3 1 . 1 . 189 . 1 1 11 PHE O O 4.629 10.072 -1.130 . . . 1.0 . . . . . . . . . . . . A . 11 PHE O . . . . . . . . . c30244_5us3 1 . 1 . 190 . 1 1 12 NLE C C 3.109 9.345 2.825 . . . 1.0 . . . . . . . . . . . . A . 12 NLE C . . . . . . . . . c30244_5us3 1 . 1 . 191 . 1 1 12 NLE CA C 3.809 9.809 1.549 . . . 1.0 . . . . . . . . . . . . A . 12 NLE CA . . . . . . . . . c30244_5us3 1 . 1 . 192 . 1 1 12 NLE CB C 3.740 11.340 1.422 . . . 1.0 . . . . . . . . . . . . A . 12 NLE CB . . . . . . . . . c30244_5us3 1 . 1 . 193 . 1 1 12 NLE CD C 4.435 12.508 3.552 . . . 1.0 . . . . . . . . . . . . A . 12 NLE CD . . . . . . . . . c30244_5us3 1 . 1 . 194 . 1 1 12 NLE CE C 5.557 13.259 4.234 . . . 1.0 . . . . . . . . . . . . A . 12 NLE CE . . . . . . . . . c30244_5us3 1 . 1 . 195 . 1 1 12 NLE CG C 4.852 12.102 2.146 . . . 1.0 . . . . . . . . . . . . A . 12 NLE CG . . . . . . . . . c30244_5us3 1 . 1 . 196 . 1 1 12 NLE H H 2.413 8.608 0.513 . . . 1.0 . . . . . . . . . . . . A . 12 NLE H . . . . . . . . . c30244_5us3 1 . 1 . 197 . 1 1 12 NLE HA H 4.843 9.498 1.582 . . . 1.0 . . . . . . . . . . . . A . 12 NLE HA . . . . . . . . . c30244_5us3 1 . 1 . 198 . 1 1 12 NLE HB2 H 2.789 11.673 1.805 . . . 1.0 . . . . . . . . . . . . A . 12 NLE HB2 . . . . . . . . . c30244_5us3 1 . 1 . 199 . 1 1 12 NLE HB3 H 3.794 11.579 0.368 . . . 1.0 . . . . . . . . . . . . A . 12 NLE HB3 . . . . . . . . . c30244_5us3 1 . 1 . 200 . 1 1 12 NLE HD2 H 4.207 11.623 4.129 . . . 1.0 . . . . . . . . . . . . A . 12 NLE HD2 . . . . . . . . . c30244_5us3 1 . 1 . 201 . 1 1 12 NLE HD3 H 3.568 13.150 3.500 . . . 1.0 . . . . . . . . . . . . A . 12 NLE HD3 . . . . . . . . . c30244_5us3 1 . 1 . 202 . 1 1 12 NLE HE1 H 5.793 14.147 3.666 . . . 1.0 . . . . . . . . . . . . A . 12 NLE HE1 . . . . . . . . . c30244_5us3 1 . 1 . 203 . 1 1 12 NLE HE2 H 6.431 12.627 4.292 . . . 1.0 . . . . . . . . . . . . A . 12 NLE HE2 . . . . . . . . . c30244_5us3 1 . 1 . 204 . 1 1 12 NLE HE3 H 5.249 13.540 5.230 . . . 1.0 . . . . . . . . . . . . A . 12 NLE HE3 . . . . . . . . . c30244_5us3 1 . 1 . 205 . 1 1 12 NLE HG2 H 5.090 12.993 1.582 . . . 1.0 . . . . . . . . . . . . A . 12 NLE HG2 . . . . . . . . . c30244_5us3 1 . 1 . 206 . 1 1 12 NLE HG3 H 5.726 11.473 2.210 . . . 1.0 . . . . . . . . . . . . A . 12 NLE HG3 . . . . . . . . . c30244_5us3 1 . 1 . 207 . 1 1 12 NLE N N 3.187 9.191 0.378 . . . 1.0 . . . . . . . . . . . . A . 12 NLE N . . . . . . . . . c30244_5us3 1 . 1 . 208 . 1 1 12 NLE O O 3.561 9.648 3.934 . . . 1.0 . . . . . . . . . . . . A . 12 NLE O . . . . . . . . . c30244_5us3 1 . 1 . 209 . 1 1 13 ARG C C 1.540 6.608 3.941 . . . 1.0 . . . . . . . . . . . . A . 13 ARG C . . . . . . . . . c30244_5us3 1 . 1 . 210 . 1 1 13 ARG CA C 1.261 8.087 3.796 . . . 1.0 . . . . . . . . . . . . A . 13 ARG CA . . . . . . . . . c30244_5us3 1 . 1 . 211 . 1 1 13 ARG CB C -0.237 8.354 3.638 . . . 1.0 . . . . . . . . . . . . A . 13 ARG CB . . . . . . . . . c30244_5us3 1 . 1 . 212 . 1 1 13 ARG CD C -2.067 9.872 4.442 . . . 1.0 . . . . . . . . . . . . A . 13 ARG CD . . . . . . . . . c30244_5us3 1 . 1 . 213 . 1 1 13 ARG CG C -0.639 9.793 3.932 . . . 1.0 . . . . . . . . . . . . A . 13 ARG CG . . . . . . . . . c30244_5us3 1 . 1 . 214 . 1 1 13 ARG CZ C -3.651 11.606 5.265 . . . 1.0 . . . . . . . . . . . . A . 13 ARG CZ . . . . . . . . . c30244_5us3 1 . 1 . 215 . 1 1 13 ARG H H 1.726 8.338 1.747 . . . 1.0 . . . . . . . . . . . . A . 13 ARG H . . . . . . . . . c30244_5us3 1 . 1 . 216 . 1 1 13 ARG HA H 1.622 8.593 4.680 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HA . . . . . . . . . c30244_5us3 1 . 1 . 217 . 1 1 13 ARG HB2 H -0.526 8.123 2.623 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HB2 . . . . . . . . . c30244_5us3 1 . 1 . 218 . 1 1 13 ARG HB3 H -0.779 7.707 4.312 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HB3 . . . . . . . . . c30244_5us3 1 . 1 . 219 . 1 1 13 ARG HD2 H -2.725 9.452 3.697 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HD2 . . . . . . . . . c30244_5us3 1 . 1 . 220 . 1 1 13 ARG HD3 H -2.139 9.295 5.353 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HD3 . . . . . . . . . c30244_5us3 1 . 1 . 221 . 1 1 13 ARG HE H -1.844 11.962 4.484 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HE . . . . . . . . . c30244_5us3 1 . 1 . 222 . 1 1 13 ARG HG2 H 0.022 10.198 4.683 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HG2 . . . . . . . . . c30244_5us3 1 . 1 . 223 . 1 1 13 ARG HG3 H -0.557 10.375 3.025 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HG3 . . . . . . . . . c30244_5us3 1 . 1 . 224 . 1 1 13 ARG HH11 H -4.366 9.719 5.456 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HH11 . . . . . . . . . c30244_5us3 1 . 1 . 225 . 1 1 13 ARG HH12 H -5.424 10.973 6.013 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HH12 . . . . . . . . . c30244_5us3 1 . 1 . 226 . 1 1 13 ARG HH21 H -4.790 13.159 5.877 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HH21 . . . . . . . . . c30244_5us3 1 . 1 . 227 . 1 1 13 ARG HH22 H -3.246 13.585 5.218 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HH22 . . . . . . . . . c30244_5us3 1 . 1 . 228 . 1 1 13 ARG N N 2.011 8.593 2.660 . . . 1.0 . . . . . . . . . . . . A . 13 ARG N . . . . . . . . . c30244_5us3 1 . 1 . 229 . 1 1 13 ARG NE N -2.478 11.253 4.718 . . . 1.0 . . . . . . . . . . . . A . 13 ARG NE . . . . . . . . . c30244_5us3 1 . 1 . 230 . 1 1 13 ARG NH1 N -4.555 10.690 5.606 . . . 1.0 . . . . . . . . . . . . A . 13 ARG NH1 . . . . . . . . . c30244_5us3 1 . 1 . 231 . 1 1 13 ARG NH2 N -3.917 12.888 5.470 . . . 1.0 . . . . . . . . . . . . A . 13 ARG NH2 . . . . . . . . . c30244_5us3 1 . 1 . 232 . 1 1 13 ARG O O 1.206 5.809 3.059 . . . 1.0 . . . . . . . . . . . . A . 13 ARG O . . . . . . . . . c30244_5us3 1 . 1 . 233 . 1 1 14 SER C C 1.374 4.035 5.829 . . . 1.0 . . . . . . . . . . . . A . 14 SER C . . . . . . . . . c30244_5us3 1 . 1 . 234 . 1 1 14 SER CA C 2.548 4.872 5.323 . . . 1.0 . . . . . . . . . . . . A . 14 SER CA . . . . . . . . . c30244_5us3 1 . 1 . 235 . 1 1 14 SER CB C 3.703 4.820 6.326 . . . 1.0 . . . . . . . . . . . . A . 14 SER CB . . . . . . . . . c30244_5us3 1 . 1 . 236 . 1 1 14 SER H H 2.372 6.942 5.727 . . . 1.0 . . . . . . . . . . . . A . 14 SER H . . . . . . . . . c30244_5us3 1 . 1 . 237 . 1 1 14 SER HA H 2.884 4.460 4.379 . . . 1.0 . . . . . . . . . . . . A . 14 SER HA . . . . . . . . . c30244_5us3 1 . 1 . 238 . 1 1 14 SER HB2 H 3.899 3.792 6.589 . . . 1.0 . . . . . . . . . . . . A . 14 SER HB2 . . . . . . . . . c30244_5us3 1 . 1 . 239 . 1 1 14 SER HB3 H 4.586 5.252 5.877 . . . 1.0 . . . . . . . . . . . . A . 14 SER HB3 . . . . . . . . . c30244_5us3 1 . 1 . 240 . 1 1 14 SER HG H 3.517 4.972 8.271 . . . 1.0 . . . . . . . . . . . . A . 14 SER HG . . . . . . . . . c30244_5us3 1 . 1 . 241 . 1 1 14 SER N N 2.169 6.254 5.058 . . . 1.0 . . . . . . . . . . . . A . 14 SER N . . . . . . . . . c30244_5us3 1 . 1 . 242 . 1 1 14 SER O O 1.240 2.873 5.447 . . . 1.0 . . . . . . . . . . . . A . 14 SER O . . . . . . . . . c30244_5us3 1 . 1 . 243 . 1 1 14 SER OG O 3.391 5.540 7.507 . . . 1.0 . . . . . . . . . . . . A . 14 SER OG . . . . . . . . . c30244_5us3 1 . 1 . 244 . 1 1 15 B3D C C -2.489 4.292 5.555 . . . 1.0 . . . . . . . . . . . . A . 15 B3D C . . . . . . . . . c30244_5us3 1 . 1 . 245 . 1 1 15 B3D CA C -1.905 4.683 6.885 . . . 1.0 . . . . . . . . . . . . A . 15 B3D CA . . . . . . . . . c30244_5us3 1 . 1 . 246 . 1 1 15 B3D CB C -0.608 3.940 7.224 . . . 1.0 . . . . . . . . . . . . A . 15 B3D CB . . . . . . . . . c30244_5us3 1 . 1 . 247 . 1 1 15 B3D CD C 0.662 3.043 9.246 . . . 1.0 . . . . . . . . . . . . A . 15 B3D CD . . . . . . . . . c30244_5us3 1 . 1 . 248 . 1 1 15 B3D CG C -0.507 3.884 8.763 . . . 1.0 . . . . . . . . . . . . A . 15 B3D CG . . . . . . . . . c30244_5us3 1 . 1 . 249 . 1 1 15 B3D H H 0.717 5.550 6.971 . . . 1.0 . . . . . . . . . . . . A . 15 B3D H . . . . . . . . . c30244_5us3 1 . 1 . 250 . 1 1 15 B3D HA1 H -1.704 5.744 6.866 . . . 1.0 . . . . . . . . . . . . A . 15 B3D HA1 . . . . . . . . . c30244_5us3 1 . 1 . 251 . 1 1 15 B3D HA2 H -2.640 4.479 7.648 . . . 1.0 . . . . . . . . . . . . A . 15 B3D HA2 . . . . . . . . . c30244_5us3 1 . 1 . 252 . 1 1 15 B3D HB H -0.605 2.936 6.751 . . . 1.0 . . . . . . . . . . . . A . 15 B3D HB . . . . . . . . . c30244_5us3 1 . 1 . 253 . 1 1 15 B3D HG2 H -1.417 3.460 9.163 . . . 1.0 . . . . . . . . . . . . A . 15 B3D HG2 . . . . . . . . . c30244_5us3 1 . 1 . 254 . 1 1 15 B3D HG3 H -0.385 4.886 9.145 . . . 1.0 . . . . . . . . . . . . A . 15 B3D HG3 . . . . . . . . . c30244_5us3 1 . 1 . 255 . 1 1 15 B3D N N 0.541 4.627 6.693 . . . 1.0 . . . . . . . . . . . . A . 15 B3D N . . . . . . . . . c30244_5us3 1 . 1 . 256 . 1 1 15 B3D O O -2.973 3.160 5.371 . . . 1.0 . . . . . . . . . . . . A . 15 B3D O . . . . . . . . . c30244_5us3 1 . 1 . 257 . 1 1 15 B3D OE1 O 0.448 1.854 9.562 . . . 1.0 . . . . . . . . . . . . A . 15 B3D OE1 . . . . . . . . . c30244_5us3 1 . 1 . 258 . 1 1 15 B3D OE2 O 1.791 3.575 9.308 . . . 1.0 . . . . . . . . . . . . A . 15 B3D OE2 . . . . . . . . . c30244_5us3 1 . 1 . 259 . 1 1 16 HIS C C -2.229 3.905 2.516 . . . 1.0 . . . . . . . . . . . . A . 16 HIS C . . . . . . . . . c30244_5us3 1 . 1 . 260 . 1 1 16 HIS CA C -2.927 5.058 3.240 . . . 1.0 . . . . . . . . . . . . A . 16 HIS CA . . . . . . . . . c30244_5us3 1 . 1 . 261 . 1 1 16 HIS CB C -2.773 6.350 2.433 . . . 1.0 . . . . . . . . . . . . A . 16 HIS CB . . . . . . . . . c30244_5us3 1 . 1 . 262 . 1 1 16 HIS CD2 C -3.962 6.000 0.152 . . . 1.0 . . . . . . . . . . . . A . 16 HIS CD2 . . . . . . . . . c30244_5us3 1 . 1 . 263 . 1 1 16 HIS CE1 C -5.669 7.339 0.471 . . . 1.0 . . . . . . . . . . . . A . 16 HIS CE1 . . . . . . . . . c30244_5us3 1 . 1 . 264 . 1 1 16 HIS CG C -3.830 6.540 1.387 . . . 1.0 . . . . . . . . . . . . A . 16 HIS CG . . . . . . . . . c30244_5us3 1 . 1 . 265 . 1 1 16 HIS H H -1.984 6.094 4.830 . . . 1.0 . . . . . . . . . . . . A . 16 HIS H . . . . . . . . . c30244_5us3 1 . 1 . 266 . 1 1 16 HIS HA H -3.978 4.825 3.321 . . . 1.0 . . . . . . . . . . . . A . 16 HIS HA . . . . . . . . . c30244_5us3 1 . 1 . 267 . 1 1 16 HIS HB2 H -2.816 7.193 3.105 . . . 1.0 . . . . . . . . . . . . A . 16 HIS HB2 . . . . . . . . . c30244_5us3 1 . 1 . 268 . 1 1 16 HIS HB3 H -1.813 6.341 1.937 . . . 1.0 . . . . . . . . . . . . A . 16 HIS HB3 . . . . . . . . . c30244_5us3 1 . 1 . 269 . 1 1 16 HIS HD1 H -5.105 7.913 2.352 . . . 1.0 . . . . . . . . . . . . A . 16 HIS HD1 . . . . . . . . . c30244_5us3 1 . 1 . 270 . 1 1 16 HIS HD2 H -3.287 5.297 -0.316 . . . 1.0 . . . . . . . . . . . . A . 16 HIS HD2 . . . . . . . . . c30244_5us3 1 . 1 . 271 . 1 1 16 HIS HE1 H -6.584 7.892 0.319 . . . 1.0 . . . . . . . . . . . . A . 16 HIS HE1 . . . . . . . . . c30244_5us3 1 . 1 . 272 . 1 1 16 HIS HE2 H -5.510 6.235 -1.247 . . . 1.0 . . . . . . . . . . . . A . 16 HIS HE2 . . . . . . . . . c30244_5us3 1 . 1 . 273 . 1 1 16 HIS N N -2.409 5.240 4.603 . . . 1.0 . . . . . . . . . . . . A . 16 HIS N . . . . . . . . . c30244_5us3 1 . 1 . 274 . 1 1 16 HIS ND1 N -4.915 7.375 1.555 . . . 1.0 . . . . . . . . . . . . A . 16 HIS ND1 . . . . . . . . . c30244_5us3 1 . 1 . 275 . 1 1 16 HIS NE2 N -5.112 6.513 -0.396 . . . 1.0 . . . . . . . . . . . . A . 16 HIS NE2 . . . . . . . . . c30244_5us3 1 . 1 . 276 . 1 1 16 HIS O O -2.866 3.205 1.732 . . . 1.0 . . . . . . . . . . . . A . 16 HIS O . . . . . . . . . c30244_5us3 1 . 1 . 277 . 1 1 17 LEU C C -0.407 1.315 2.879 . . . 1.0 . . . . . . . . . . . . A . 17 LEU C . . . . . . . . . c30244_5us3 1 . 1 . 278 . 1 1 17 LEU CA C -0.162 2.636 2.155 . . . 1.0 . . . . . . . . . . . . A . 17 LEU CA . . . . . . . . . c30244_5us3 1 . 1 . 279 . 1 1 17 LEU CB C 1.352 2.906 2.105 . . . 1.0 . . . . . . . . . . . . A . 17 LEU CB . . . . . . . . . c30244_5us3 1 . 1 . 280 . 1 1 17 LEU CD1 C 2.172 1.544 0.114 . . . 1.0 . . . . . . . . . . . . A . 17 LEU CD1 . . . . . . . . . c30244_5us3 1 . 1 . 281 . 1 1 17 LEU CD2 C 3.630 1.844 2.125 . . . 1.0 . . . . . . . . . . . . A . 17 LEU CD2 . . . . . . . . . c30244_5us3 1 . 1 . 282 . 1 1 17 LEU CG C 2.211 1.711 1.630 . . . 1.0 . . . . . . . . . . . . A . 17 LEU CG . . . . . . . . . c30244_5us3 1 . 1 . 283 . 1 1 17 LEU H H -0.449 4.361 3.329 . . . 1.0 . . . . . . . . . . . . A . 17 LEU H . . . . . . . . . c30244_5us3 1 . 1 . 284 . 1 1 17 LEU HA H -0.531 2.536 1.145 . . . 1.0 . . . . . . . . . . . . A . 17 LEU HA . . . . . . . . . c30244_5us3 1 . 1 . 285 . 1 1 17 LEU HB2 H 1.532 3.743 1.449 . . . 1.0 . . . . . . . . . . . . A . 17 LEU HB2 . . . . . . . . . c30244_5us3 1 . 1 . 286 . 1 1 17 LEU HB3 H 1.674 3.175 3.097 . . . 1.0 . . . . . . . . . . . . A . 17 LEU HB3 . . . . . . . . . c30244_5us3 1 . 1 . 287 . 1 1 17 LEU HD11 H 2.813 2.276 -0.361 . . . 1.0 . . . . . . . . . . . . A . 17 LEU HD11 . . . . . . . . . c30244_5us3 1 . 1 . 288 . 1 1 17 LEU HD12 H 1.152 1.681 -0.225 . . . 1.0 . . . . . . . . . . . . A . 17 LEU HD12 . . . . . . . . . c30244_5us3 1 . 1 . 289 . 1 1 17 LEU HD13 H 2.501 0.536 -0.154 . . . 1.0 . . . . . . . . . . . . A . 17 LEU HD13 . . . . . . . . . c30244_5us3 1 . 1 . 290 . 1 1 17 LEU HD21 H 3.625 1.936 3.201 . . . 1.0 . . . . . . . . . . . . A . 17 LEU HD21 . . . . . . . . . c30244_5us3 1 . 1 . 291 . 1 1 17 LEU HD22 H 4.083 2.720 1.686 . . . 1.0 . . . . . . . . . . . . A . 17 LEU HD22 . . . . . . . . . c30244_5us3 1 . 1 . 292 . 1 1 17 LEU HD23 H 4.189 0.964 1.840 . . . 1.0 . . . . . . . . . . . . A . 17 LEU HD23 . . . . . . . . . c30244_5us3 1 . 1 . 293 . 1 1 17 LEU HG H 1.801 0.808 2.061 . . . 1.0 . . . . . . . . . . . . A . 17 LEU HG . . . . . . . . . c30244_5us3 1 . 1 . 294 . 1 1 17 LEU N N -0.916 3.729 2.762 . . . 1.0 . . . . . . . . . . . . A . 17 LEU N . . . . . . . . . c30244_5us3 1 . 1 . 295 . 1 1 17 LEU O O -0.376 0.273 2.246 . . . 1.0 . . . . . . . . . . . . A . 17 LEU O . . . . . . . . . c30244_5us3 1 . 1 . 296 . 1 1 18 SER C C -2.113 -0.545 4.442 . . . 1.0 . . . . . . . . . . . . A . 18 SER C . . . . . . . . . c30244_5us3 1 . 1 . 297 . 1 1 18 SER CA C -0.858 0.137 4.983 . . . 1.0 . . . . . . . . . . . . A . 18 SER CA . . . . . . . . . c30244_5us3 1 . 1 . 298 . 1 1 18 SER CB C -1.018 0.446 6.477 . . . 1.0 . . . . . . . . . . . . A . 18 SER CB . . . . . . . . . c30244_5us3 1 . 1 . 299 . 1 1 18 SER H H -0.496 2.211 4.669 . . . 1.0 . . . . . . . . . . . . A . 18 SER H . . . . . . . . . c30244_5us3 1 . 1 . 300 . 1 1 18 SER HA H -0.019 -0.531 4.849 . . . 1.0 . . . . . . . . . . . . A . 18 SER HA . . . . . . . . . c30244_5us3 1 . 1 . 301 . 1 1 18 SER HB2 H -1.834 1.139 6.615 . . . 1.0 . . . . . . . . . . . . A . 18 SER HB2 . . . . . . . . . c30244_5us3 1 . 1 . 302 . 1 1 18 SER HB3 H -1.235 -0.470 7.007 . . . 1.0 . . . . . . . . . . . . A . 18 SER HB3 . . . . . . . . . c30244_5us3 1 . 1 . 303 . 1 1 18 SER HG H 0.333 0.638 7.881 . . . 1.0 . . . . . . . . . . . . A . 18 SER HG . . . . . . . . . c30244_5us3 1 . 1 . 304 . 1 1 18 SER N N -0.584 1.355 4.206 . . . 1.0 . . . . . . . . . . . . A . 18 SER N . . . . . . . . . c30244_5us3 1 . 1 . 305 . 1 1 18 SER O O -2.052 -1.689 3.985 . . . 1.0 . . . . . . . . . . . . A . 18 SER O . . . . . . . . . c30244_5us3 1 . 1 . 306 . 1 1 18 SER OG O 0.164 1.011 7.013 . . . 1.0 . . . . . . . . . . . . A . 18 SER OG . . . . . . . . . c30244_5us3 1 . 1 . 307 . 1 1 19 B3K C C -4.311 -0.025 1.400 . . . 1.0 . . . . . . . . . . . . A . 19 B3K C . . . . . . . . . c30244_5us3 1 . 1 . 308 . 1 1 19 B3K CA C -4.912 0.456 2.698 . . . 1.0 . . . . . . . . . . . . A . 19 B3K CA . . . . . . . . . c30244_5us3 1 . 1 . 309 . 1 1 19 B3K CB C -4.468 -0.333 3.931 . . . 1.0 . . . . . . . . . . . . A . 19 B3K CB . . . . . . . . . c30244_5us3 1 . 1 . 310 . 1 1 19 B3K CD C -5.360 -1.005 6.254 . . . 1.0 . . . . . . . . . . . . A . 19 B3K CD . . . . . . . . . c30244_5us3 1 . 1 . 311 . 1 1 19 B3K CE C -6.466 -0.773 7.271 . . . 1.0 . . . . . . . . . . . . A . 19 B3K CE . . . . . . . . . c30244_5us3 1 . 1 . 312 . 1 1 19 B3K CF C -6.253 -1.607 8.524 . . . 1.0 . . . . . . . . . . . . A . 19 B3K CF . . . . . . . . . c30244_5us3 1 . 1 . 313 . 1 1 19 B3K CG C -5.576 -0.172 4.996 . . . 1.0 . . . . . . . . . . . . A . 19 B3K CG . . . . . . . . . c30244_5us3 1 . 1 . 314 . 1 1 19 B3K H H -3.203 1.115 4.795 . . . 1.0 . . . . . . . . . . . . A . 19 B3K H . . . . . . . . . c30244_5us3 1 . 1 . 315 . 1 1 19 B3K HA1 H -5.986 0.392 2.609 . . . 1.0 . . . . . . . . . . . . A . 19 B3K HA1 . . . . . . . . . c30244_5us3 1 . 1 . 316 . 1 1 19 B3K HA2 H -4.634 1.491 2.831 . . . 1.0 . . . . . . . . . . . . A . 19 B3K HA2 . . . . . . . . . c30244_5us3 1 . 1 . 317 . 1 1 19 B3K HB H -4.268 -1.393 3.663 . . . 1.0 . . . . . . . . . . . . A . 19 B3K HB . . . . . . . . . c30244_5us3 1 . 1 . 318 . 1 1 19 B3K HD2 H -4.413 -0.733 6.696 . . . 1.0 . . . . . . . . . . . . A . 19 B3K HD2 . . . . . . . . . c30244_5us3 1 . 1 . 319 . 1 1 19 B3K HD3 H -5.347 -2.049 5.985 . . . 1.0 . . . . . . . . . . . . A . 19 B3K HD3 . . . . . . . . . c30244_5us3 1 . 1 . 320 . 1 1 19 B3K HE2 H -7.413 -1.041 6.827 . . . 1.0 . . . . . . . . . . . . A . 19 B3K HE2 . . . . . . . . . c30244_5us3 1 . 1 . 321 . 1 1 19 B3K HE3 H -6.477 0.271 7.544 . . . 1.0 . . . . . . . . . . . . A . 19 B3K HE3 . . . . . . . . . c30244_5us3 1 . 1 . 322 . 1 1 19 B3K HF1 H -5.304 -1.338 8.963 . . . 1.0 . . . . . . . . . . . . A . 19 B3K HF1 . . . . . . . . . c30244_5us3 1 . 1 . 323 . 1 1 19 B3K HF2 H -6.237 -2.651 8.247 . . . 1.0 . . . . . . . . . . . . A . 19 B3K HF2 . . . . . . . . . c30244_5us3 1 . 1 . 324 . 1 1 19 B3K HG2 H -6.522 -0.461 4.561 . . . 1.0 . . . . . . . . . . . . A . 19 B3K HG2 . . . . . . . . . c30244_5us3 1 . 1 . 325 . 1 1 19 B3K HG3 H -5.629 0.867 5.286 . . . 1.0 . . . . . . . . . . . . A . 19 B3K HG3 . . . . . . . . . c30244_5us3 1 . 1 . 326 . 1 1 19 B3K HNZ1 H -8.254 -1.651 9.123 . . . 1.0 . . . . . . . . . . . . A . 19 B3K HNZ1 . . . . . . . . . c30244_5us3 1 . 1 . 327 . 1 1 19 B3K HNZ2 H -7.361 -0.388 9.808 . . . 1.0 . . . . . . . . . . . . A . 19 B3K HNZ2 . . . . . . . . . c30244_5us3 1 . 1 . 328 . 1 1 19 B3K N N -3.231 0.190 4.442 . . . 1.0 . . . . . . . . . . . . A . 19 B3K N . . . . . . . . . c30244_5us3 1 . 1 . 329 . 1 1 19 B3K NZ N -7.331 -1.389 9.527 . . . 1.0 . . . . . . . . . . . . A . 19 B3K NZ . . . . . . . . . c30244_5us3 1 . 1 . 330 . 1 1 19 B3K O O -4.717 -1.059 0.848 . . . 1.0 . . . . . . . . . . . . A . 19 B3K O . . . . . . . . . c30244_5us3 1 . 1 . 331 . 1 1 20 HIS C C -2.045 -0.994 -0.435 . . . 1.0 . . . . . . . . . . . . A . 20 HIS C . . . . . . . . . c30244_5us3 1 . 1 . 332 . 1 1 20 HIS CA C -2.601 0.435 -0.322 . . . 1.0 . . . . . . . . . . . . A . 20 HIS CA . . . . . . . . . c30244_5us3 1 . 1 . 333 . 1 1 20 HIS CB C -1.471 1.423 -0.504 . . . 1.0 . . . . . . . . . . . . A . 20 HIS CB . . . . . . . . . c30244_5us3 1 . 1 . 334 . 1 1 20 HIS CD2 C 0.239 0.419 -2.097 . . . 1.0 . . . . . . . . . . . . A . 20 HIS CD2 . . . . . . . . . c30244_5us3 1 . 1 . 335 . 1 1 20 HIS CE1 C -0.462 1.268 -3.945 . . . 1.0 . . . . . . . . . . . . A . 20 HIS CE1 . . . . . . . . . c30244_5us3 1 . 1 . 336 . 1 1 20 HIS CG C -0.786 1.233 -1.796 . . . 1.0 . . . . . . . . . . . . A . 20 HIS CG . . . . . . . . . c30244_5us3 1 . 1 . 337 . 1 1 20 HIS H H -2.911 1.426 1.500 . . . 1.0 . . . . . . . . . . . . A . 20 HIS H . . . . . . . . . c30244_5us3 1 . 1 . 338 . 1 1 20 HIS HA H -3.295 0.611 -1.108 . . . 1.0 . . . . . . . . . . . . A . 20 HIS HA . . . . . . . . . c30244_5us3 1 . 1 . 339 . 1 1 20 HIS HB2 H -1.857 2.433 -0.461 . . . 1.0 . . . . . . . . . . . . A . 20 HIS HB2 . . . . . . . . . c30244_5us3 1 . 1 . 340 . 1 1 20 HIS HB3 H -0.755 1.267 0.281 . . . 1.0 . . . . . . . . . . . . A . 20 HIS HB3 . . . . . . . . . c30244_5us3 1 . 1 . 341 . 1 1 20 HIS HD1 H -1.947 2.424 -3.087 . . . 1.0 . . . . . . . . . . . . A . 20 HIS HD1 . . . . . . . . . c30244_5us3 1 . 1 . 342 . 1 1 20 HIS HD2 H 0.777 -0.226 -1.396 . . . 1.0 . . . . . . . . . . . . A . 20 HIS HD2 . . . . . . . . . c30244_5us3 1 . 1 . 343 . 1 1 20 HIS HE1 H -0.625 1.436 -4.993 . . . 1.0 . . . . . . . . . . . . A . 20 HIS HE1 . . . . . . . . . c30244_5us3 1 . 1 . 344 . 1 1 20 HIS N N -3.272 0.700 0.942 . . . 1.0 . . . . . . . . . . . . A . 20 HIS N . . . . . . . . . c30244_5us3 1 . 1 . 345 . 1 1 20 HIS ND1 N -1.217 1.779 -2.976 . . . 1.0 . . . . . . . . . . . . A . 20 HIS ND1 . . . . . . . . . c30244_5us3 1 . 1 . 346 . 1 1 20 HIS NE2 N 0.441 0.448 -3.451 . . . 1.0 . . . . . . . . . . . . A . 20 HIS NE2 . . . . . . . . . c30244_5us3 1 . 1 . 347 . 1 1 20 HIS O O -2.121 -1.626 -1.490 . . . 1.0 . . . . . . . . . . . . A . 20 HIS O . . . . . . . . . c30244_5us3 1 . 1 . 348 . 1 1 21 ILE C C -1.737 -3.819 1.302 . . . 1.0 . . . . . . . . . . . . A . 21 ILE C . . . . . . . . . c30244_5us3 1 . 1 . 349 . 1 1 21 ILE CA C -0.838 -2.772 0.642 . . . 1.0 . . . . . . . . . . . . A . 21 ILE CA . . . . . . . . . c30244_5us3 1 . 1 . 350 . 1 1 21 ILE CB C 0.599 -2.739 1.231 . . . 1.0 . . . . . . . . . . . . A . 21 ILE CB . . . . . . . . . c30244_5us3 1 . 1 . 351 . 1 1 21 ILE CD1 C 0.785 -3.802 3.552 . . . 1.0 . . . . . . . . . . . . A . 21 ILE CD1 . . . . . . . . . c30244_5us3 1 . 1 . 352 . 1 1 21 ILE CG1 C 0.636 -2.522 2.757 . . . 1.0 . . . . . . . . . . . . A . 21 ILE CG1 . . . . . . . . . c30244_5us3 1 . 1 . 353 . 1 1 21 ILE CG2 C 1.420 -1.695 0.531 . . . 1.0 . . . . . . . . . . . . A . 21 ILE CG2 . . . . . . . . . c30244_5us3 1 . 1 . 354 . 1 1 21 ILE H H -1.376 -0.909 1.421 . . . 1.0 . . . . . . . . . . . . A . 21 ILE H . . . . . . . . . c30244_5us3 1 . 1 . 355 . 1 1 21 ILE HA H -0.745 -3.049 -0.392 . . . 1.0 . . . . . . . . . . . . A . 21 ILE HA . . . . . . . . . c30244_5us3 1 . 1 . 356 . 1 1 21 ILE HB H 1.057 -3.650 0.989 . . . 1.0 . . . . . . . . . . . . A . 21 ILE HB . . . . . . . . . c30244_5us3 1 . 1 . 357 . 1 1 21 ILE HD11 H 1.707 -4.293 3.275 . . . 1.0 . . . . . . . . . . . . A . 21 ILE HD11 . . . . . . . . . c30244_5us3 1 . 1 . 358 . 1 1 21 ILE HD12 H -0.048 -4.456 3.341 . . . 1.0 . . . . . . . . . . . . A . 21 ILE HD12 . . . . . . . . . c30244_5us3 1 . 1 . 359 . 1 1 21 ILE HD13 H 0.803 -3.571 4.607 . . . 1.0 . . . . . . . . . . . . A . 21 ILE HD13 . . . . . . . . . c30244_5us3 1 . 1 . 360 . 1 1 21 ILE HG12 H 1.470 -1.882 3.002 . . . 1.0 . . . . . . . . . . . . A . 21 ILE HG12 . . . . . . . . . c30244_5us3 1 . 1 . 361 . 1 1 21 ILE HG13 H -0.281 -2.043 3.067 . . . 1.0 . . . . . . . . . . . . A . 21 ILE HG13 . . . . . . . . . c30244_5us3 1 . 1 . 362 . 1 1 21 ILE HG21 H 0.910 -0.748 0.595 . . . 1.0 . . . . . . . . . . . . A . 21 ILE HG21 . . . . . . . . . c30244_5us3 1 . 1 . 363 . 1 1 21 ILE HG22 H 1.538 -1.983 -0.504 . . . 1.0 . . . . . . . . . . . . A . 21 ILE HG22 . . . . . . . . . c30244_5us3 1 . 1 . 364 . 1 1 21 ILE HG23 H 2.387 -1.622 0.999 . . . 1.0 . . . . . . . . . . . . A . 21 ILE HG23 . . . . . . . . . c30244_5us3 1 . 1 . 365 . 1 1 21 ILE N N -1.440 -1.463 0.633 . . . 1.0 . . . . . . . . . . . . A . 21 ILE N . . . . . . . . . c30244_5us3 1 . 1 . 366 . 1 1 21 ILE O O -1.456 -5.013 1.225 . . . 1.0 . . . . . . . . . . . . A . 21 ILE O . . . . . . . . . c30244_5us3 1 . 1 . 367 . 1 1 22 B3K C C -5.293 -4.133 0.503 . . . 1.0 . . . . . . . . . . . . A . 22 B3K C . . . . . . . . . c30244_5us3 1 . 1 . 368 . 1 1 22 B3K CA C -5.144 -3.914 2.000 . . . 1.0 . . . . . . . . . . . . A . 22 B3K CA . . . . . . . . . c30244_5us3 1 . 1 . 369 . 1 1 22 B3K CB C -3.750 -4.222 2.573 . . . 1.0 . . . . . . . . . . . . A . 22 B3K CB . . . . . . . . . c30244_5us3 1 . 1 . 370 . 1 1 22 B3K CD C -3.624 -5.234 4.922 . . . 1.0 . . . . . . . . . . . . A . 22 B3K CD . . . . . . . . . c30244_5us3 1 . 1 . 371 . 1 1 22 B3K CE C -3.686 -4.934 6.411 . . . 1.0 . . . . . . . . . . . . A . 22 B3K CE . . . . . . . . . c30244_5us3 1 . 1 . 372 . 1 1 22 B3K CF C -3.479 -6.191 7.241 . . . 1.0 . . . . . . . . . . . . A . 22 B3K CF . . . . . . . . . c30244_5us3 1 . 1 . 373 . 1 1 22 B3K CG C -3.821 -3.975 4.092 . . . 1.0 . . . . . . . . . . . . A . 22 B3K CG . . . . . . . . . c30244_5us3 1 . 1 . 374 . 1 1 22 B3K H H -2.858 -2.383 2.141 . . . 1.0 . . . . . . . . . . . . A . 22 B3K H . . . . . . . . . c30244_5us3 1 . 1 . 375 . 1 1 22 B3K HA1 H -5.380 -2.880 2.207 . . . 1.0 . . . . . . . . . . . . A . 22 B3K HA1 . . . . . . . . . c30244_5us3 1 . 1 . 376 . 1 1 22 B3K HA2 H -5.868 -4.541 2.500 . . . 1.0 . . . . . . . . . . . . A . 22 B3K HA2 . . . . . . . . . c30244_5us3 1 . 1 . 377 . 1 1 22 B3K HB H -3.436 -5.254 2.311 . . . 1.0 . . . . . . . . . . . . A . 22 B3K HB . . . . . . . . . c30244_5us3 1 . 1 . 378 . 1 1 22 B3K HD2 H -2.658 -5.658 4.689 . . . 1.0 . . . . . . . . . . . . A . 22 B3K HD2 . . . . . . . . . c30244_5us3 1 . 1 . 379 . 1 1 22 B3K HD3 H -4.400 -5.942 4.674 . . . 1.0 . . . . . . . . . . . . A . 22 B3K HD3 . . . . . . . . . c30244_5us3 1 . 1 . 380 . 1 1 22 B3K HE2 H -4.655 -4.516 6.643 . . . 1.0 . . . . . . . . . . . . A . 22 B3K HE2 . . . . . . . . . c30244_5us3 1 . 1 . 381 . 1 1 22 B3K HE3 H -2.915 -4.221 6.657 . . . 1.0 . . . . . . . . . . . . A . 22 B3K HE3 . . . . . . . . . c30244_5us3 1 . 1 . 382 . 1 1 22 B3K HF1 H -2.514 -6.611 6.998 . . . 1.0 . . . . . . . . . . . . A . 22 B3K HF1 . . . . . . . . . c30244_5us3 1 . 1 . 383 . 1 1 22 B3K HF2 H -4.253 -6.902 6.994 . . . 1.0 . . . . . . . . . . . . A . 22 B3K HF2 . . . . . . . . . c30244_5us3 1 . 1 . 384 . 1 1 22 B3K HG2 H -4.789 -3.561 4.332 . . . 1.0 . . . . . . . . . . . . A . 22 B3K HG2 . . . . . . . . . c30244_5us3 1 . 1 . 385 . 1 1 22 B3K HG3 H -3.056 -3.265 4.367 . . . 1.0 . . . . . . . . . . . . A . 22 B3K HG3 . . . . . . . . . c30244_5us3 1 . 1 . 386 . 1 1 22 B3K HNZ1 H -2.789 -5.225 8.960 . . . 1.0 . . . . . . . . . . . . A . 22 B3K HNZ1 . . . . . . . . . c30244_5us3 1 . 1 . 387 . 1 1 22 B3K HNZ2 H -3.385 -6.783 9.242 . . . 1.0 . . . . . . . . . . . . A . 22 B3K HNZ2 . . . . . . . . . c30244_5us3 1 . 1 . 388 . 1 1 22 B3K N N -2.779 -3.352 1.991 . . . 1.0 . . . . . . . . . . . . A . 22 B3K N . . . . . . . . . c30244_5us3 1 . 1 . 389 . 1 1 22 B3K NZ N -3.531 -5.907 8.701 . . . 1.0 . . . . . . . . . . . . A . 22 B3K NZ . . . . . . . . . c30244_5us3 1 . 1 . 390 . 1 1 22 B3K O O -6.146 -4.934 0.079 . . . 1.0 . . . . . . . . . . . . A . 22 B3K O . . . . . . . . . c30244_5us3 1 . 1 . 391 . 1 1 23 THR C C -3.519 -4.586 -2.284 . . . 1.0 . . . . . . . . . . . . A . 23 THR C . . . . . . . . . c30244_5us3 1 . 1 . 392 . 1 1 23 THR CA C -4.536 -3.579 -1.777 . . . 1.0 . . . . . . . . . . . . A . 23 THR CA . . . . . . . . . c30244_5us3 1 . 1 . 393 . 1 1 23 THR CB C -4.391 -2.219 -2.523 . . . 1.0 . . . . . . . . . . . . A . 23 THR CB . . . . . . . . . c30244_5us3 1 . 1 . 394 . 1 1 23 THR CG2 C -4.985 -2.295 -3.922 . . . 1.0 . . . . . . . . . . . . A . 23 THR CG2 . . . . . . . . . c30244_5us3 1 . 1 . 395 . 1 1 23 THR H H -3.718 -2.899 0.076 . . . 1.0 . . . . . . . . . . . . A . 23 THR H . . . . . . . . . c30244_5us3 1 . 1 . 396 . 1 1 23 THR HA H -5.513 -3.975 -1.991 . . . 1.0 . . . . . . . . . . . . A . 23 THR HA . . . . . . . . . c30244_5us3 1 . 1 . 397 . 1 1 23 THR HB H -3.335 -1.965 -2.611 . . . 1.0 . . . . . . . . . . . . A . 23 THR HB . . . . . . . . . c30244_5us3 1 . 1 . 398 . 1 1 23 THR HG1 H -4.950 -1.337 -0.849 . . . 1.0 . . . . . . . . . . . . A . 23 THR HG1 . . . . . . . . . c30244_5us3 1 . 1 . 399 . 1 1 23 THR HG21 H -6.046 -2.476 -3.852 . . . 1.0 . . . . . . . . . . . . A . 23 THR HG21 . . . . . . . . . c30244_5us3 1 . 1 . 400 . 1 1 23 THR HG22 H -4.516 -3.103 -4.463 . . . 1.0 . . . . . . . . . . . . A . 23 THR HG22 . . . . . . . . . c30244_5us3 1 . 1 . 401 . 1 1 23 THR HG23 H -4.808 -1.363 -4.437 . . . 1.0 . . . . . . . . . . . . A . 23 THR HG23 . . . . . . . . . c30244_5us3 1 . 1 . 402 . 1 1 23 THR N N -4.445 -3.453 -0.316 . . . 1.0 . . . . . . . . . . . . A . 23 THR N . . . . . . . . . c30244_5us3 1 . 1 . 403 . 1 1 23 THR O O -3.862 -5.452 -3.095 . . . 1.0 . . . . . . . . . . . . A . 23 THR O . . . . . . . . . c30244_5us3 1 . 1 . 404 . 1 1 23 THR OG1 O -5.059 -1.185 -1.791 . . . 1.0 . . . . . . . . . . . . A . 23 THR OG1 . . . . . . . . . c30244_5us3 1 . 1 . 405 . 1 1 24 HIS C C -1.618 -6.813 -1.673 . . . 1.0 . . . . . . . . . . . . A . 24 HIS C . . . . . . . . . c30244_5us3 1 . 1 . 406 . 1 1 24 HIS CA C -1.225 -5.450 -2.182 . . . 1.0 . . . . . . . . . . . . A . 24 HIS CA . . . . . . . . . c30244_5us3 1 . 1 . 407 . 1 1 24 HIS CB C 0.130 -5.058 -1.607 . . . 1.0 . . . . . . . . . . . . A . 24 HIS CB . . . . . . . . . c30244_5us3 1 . 1 . 408 . 1 1 24 HIS CD2 C 0.672 -2.783 -2.690 . . . 1.0 . . . . . . . . . . . . A . 24 HIS CD2 . . . . . . . . . c30244_5us3 1 . 1 . 409 . 1 1 24 HIS CE1 C 2.321 -3.361 -3.937 . . . 1.0 . . . . . . . . . . . . A . 24 HIS CE1 . . . . . . . . . c30244_5us3 1 . 1 . 410 . 1 1 24 HIS CG C 0.886 -4.099 -2.459 . . . 1.0 . . . . . . . . . . . . A . 24 HIS CG . . . . . . . . . c30244_5us3 1 . 1 . 411 . 1 1 24 HIS H H -2.037 -3.712 -1.235 . . . 1.0 . . . . . . . . . . . . A . 24 HIS H . . . . . . . . . c30244_5us3 1 . 1 . 412 . 1 1 24 HIS HA H -1.195 -5.483 -3.231 . . . 1.0 . . . . . . . . . . . . A . 24 HIS HA . . . . . . . . . c30244_5us3 1 . 1 . 413 . 1 1 24 HIS HB2 H -0.035 -4.598 -0.646 . . . 1.0 . . . . . . . . . . . . A . 24 HIS HB2 . . . . . . . . . c30244_5us3 1 . 1 . 414 . 1 1 24 HIS HB3 H 0.732 -5.945 -1.479 . . . 1.0 . . . . . . . . . . . . A . 24 HIS HB3 . . . . . . . . . c30244_5us3 1 . 1 . 415 . 1 1 24 HIS HD1 H 2.398 -5.323 -3.298 . . . 1.0 . . . . . . . . . . . . A . 24 HIS HD1 . . . . . . . . . c30244_5us3 1 . 1 . 416 . 1 1 24 HIS HD2 H 0.020 -2.122 -2.128 . . . 1.0 . . . . . . . . . . . . A . 24 HIS HD2 . . . . . . . . . c30244_5us3 1 . 1 . 417 . 1 1 24 HIS HE1 H 3.177 -3.278 -4.584 . . . 1.0 . . . . . . . . . . . . A . 24 HIS HE1 . . . . . . . . . c30244_5us3 1 . 1 . 418 . 1 1 24 HIS N N -2.266 -4.474 -1.814 . . . 1.0 . . . . . . . . . . . . A . 24 HIS N . . . . . . . . . c30244_5us3 1 . 1 . 419 . 1 1 24 HIS ND1 N 1.958 -4.450 -3.261 . . . 1.0 . . . . . . . . . . . . A . 24 HIS ND1 . . . . . . . . . c30244_5us3 1 . 1 . 420 . 1 1 24 HIS NE2 N 1.571 -2.360 -3.639 . . . 1.0 . . . . . . . . . . . . A . 24 HIS NE2 . . . . . . . . . c30244_5us3 1 . 1 . 421 . 1 1 24 HIS O O -1.283 -7.861 -2.233 . . . 1.0 . . . . . . . . . . . . A . 24 HIS O . . . . . . . . . c30244_5us3 1 . 1 . 422 . 1 1 25 . C C -5.418 -8.443 0.010 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q C . . . . . . . . . c30244_5us3 1 . 1 . 423 . 1 1 25 . CA C -4.366 -7.379 0.222 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q CA . . . . . . . . . c30244_5us3 1 . 1 . 424 . 1 1 25 . CB C -2.929 -7.826 0.096 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q CB . . . . . . . . . c30244_5us3 1 . 1 . 425 . 1 1 25 . CD C -0.885 -8.626 1.476 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q CD . . . . . . . . . c30244_5us3 1 . 1 . 426 . 1 1 25 . CE C 0.183 -7.627 1.047 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q CE . . . . . . . . . c30244_5us3 1 . 1 . 427 . 1 1 25 . CG C -2.302 -8.046 1.485 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q CG . . . . . . . . . c30244_5us3 1 . 1 . 428 . 1 1 25 . H11 H 0.143 -6.759 2.838 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q H11 . . . . . . . . . c30244_5us3 1 . 1 . 429 . 1 1 25 . H12 H 1.242 -6.068 1.695 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q H12 . . . . . . . . . c30244_5us3 1 . 1 . 430 . 1 1 25 . H8 H -0.862 -9.466 0.796 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q H8 . . . . . . . . . c30244_5us3 1 . 1 . 431 . 1 1 25 . H9 H -0.648 -8.970 2.472 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q H9 . . . . . . . . . c30244_5us3 1 . 1 . 432 . 1 1 25 . HA H -4.512 -6.944 1.196 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q HA . . . . . . . . . c30244_5us3 1 . 1 . 433 . 1 1 25 . HAA H -4.505 -6.606 -0.540 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q HAA . . . . . . . . . c30244_5us3 1 . 1 . 434 . 1 1 25 . HB H -2.856 -8.716 -0.518 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q HB . . . . . . . . . c30244_5us3 1 . 1 . 435 . 1 1 25 . HG H -2.936 -8.720 2.044 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q HG . . . . . . . . . c30244_5us3 1 . 1 . 436 . 1 1 25 . HGA H -2.267 -7.100 1.999 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q HGA . . . . . . . . . c30244_5us3 1 . 1 . 437 . 1 1 25 . HN H -2.505 -5.809 -0.241 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q HN . . . . . . . . . c30244_5us3 1 . 1 . 438 . 1 1 25 . N N -2.336 -6.722 -0.591 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q N . . . . . . . . . c30244_5us3 1 . 1 . 439 . 1 1 25 . NF2 N 0.563 -6.730 1.953 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q NF2 . . . . . . . . . c30244_5us3 1 . 1 . 440 . 1 1 25 . O O -5.137 -9.648 0.011 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q O . . . . . . . . . c30244_5us3 1 . 1 . 441 . 1 1 25 . OF1 O 0.657 -7.659 -0.087 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q OF1 . . . . . . . . . c30244_5us3 1 . 1 . 442 . 1 1 26 ASN C C -8.480 -8.523 -1.720 . . . 1.0 . . . . . . . . . . . . A . 26 ASN C . . . . . . . . . c30244_5us3 1 . 1 . 443 . 1 1 26 ASN CA C -7.809 -8.833 -0.386 . . . 1.0 . . . . . . . . . . . . A . 26 ASN CA . . . . . . . . . c30244_5us3 1 . 1 . 444 . 1 1 26 ASN CB C -8.821 -8.677 0.754 . . . 1.0 . . . . . . . . . . . . A . 26 ASN CB . . . . . . . . . c30244_5us3 1 . 1 . 445 . 1 1 26 ASN CG C -8.323 -9.262 2.063 . . . 1.0 . . . . . . . . . . . . A . 26 ASN CG . . . . . . . . . c30244_5us3 1 . 1 . 446 . 1 1 26 ASN H H -6.785 -6.981 -0.147 . . . 1.0 . . . . . . . . . . . . A . 26 ASN H . . . . . . . . . c30244_5us3 1 . 1 . 447 . 1 1 26 ASN HA H -7.456 -9.853 -0.404 . . . 1.0 . . . . . . . . . . . . A . 26 ASN HA . . . . . . . . . c30244_5us3 1 . 1 . 448 . 1 1 26 ASN HB2 H -9.023 -7.627 0.906 . . . 1.0 . . . . . . . . . . . . A . 26 ASN HB2 . . . . . . . . . c30244_5us3 1 . 1 . 449 . 1 1 26 ASN HB3 H -9.738 -9.179 0.482 . . . 1.0 . . . . . . . . . . . . A . 26 ASN HB3 . . . . . . . . . c30244_5us3 1 . 1 . 450 . 1 1 26 ASN HD21 H -9.124 -11.024 1.608 . . . 1.0 . . . . . . . . . . . . A . 26 ASN HD21 . . . . . . . . . c30244_5us3 1 . 1 . 451 . 1 1 26 ASN HD22 H -8.303 -10.942 3.126 . . . 1.0 . . . . . . . . . . . . A . 26 ASN HD22 . . . . . . . . . c30244_5us3 1 . 1 . 452 . 1 1 26 ASN N N -6.652 -7.962 -0.167 . . . 1.0 . . . . . . . . . . . . A . 26 ASN N . . . . . . . . . c30244_5us3 1 . 1 . 453 . 1 1 26 ASN ND2 N -8.612 -10.538 2.289 . . . 1.0 . . . . . . . . . . . . A . 26 ASN ND2 . . . . . . . . . c30244_5us3 1 . 1 . 454 . 1 1 26 ASN O O -8.748 -7.359 -2.032 . . . 1.0 . . . . . . . . . . . . A . 26 ASN O . . . . . . . . . c30244_5us3 1 . 1 . 455 . 1 1 26 ASN OD1 O -7.686 -8.575 2.861 . . . 1.0 . . . . . . . . . . . . A . 26 ASN OD1 . . . . . . . . . c30244_5us3 1 . 1 . 456 . 1 1 27 LYS C C -10.561 -10.411 -3.936 . . . 1.0 . . . . . . . . . . . . A . 27 LYS C . . . . . . . . . c30244_5us3 1 . 1 . 457 . 1 1 27 LYS CA C -9.389 -9.444 -3.807 . . . 1.0 . . . . . . . . . . . . A . 27 LYS CA . . . . . . . . . c30244_5us3 1 . 1 . 458 . 1 1 27 LYS CB C -8.380 -9.696 -4.933 . . . 1.0 . . . . . . . . . . . . A . 27 LYS CB . . . . . . . . . c30244_5us3 1 . 1 . 459 . 1 1 27 LYS CD C -6.406 -8.872 -6.258 . . . 1.0 . . . . . . . . . . . . A . 27 LYS CD . . . . . . . . . c30244_5us3 1 . 1 . 460 . 1 1 27 LYS CE C -5.404 -7.744 -6.462 . . . 1.0 . . . . . . . . . . . . A . 27 LYS CE . . . . . . . . . c30244_5us3 1 . 1 . 461 . 1 1 27 LYS CG C -7.379 -8.566 -5.128 . . . 1.0 . . . . . . . . . . . . A . 27 LYS CG . . . . . . . . . c30244_5us3 1 . 1 . 462 . 1 1 27 LYS H H -8.502 -10.472 -2.180 . . . 1.0 . . . . . . . . . . . . A . 27 LYS H . . . . . . . . . c30244_5us3 1 . 1 . 463 . 1 1 27 LYS HA H -9.762 -8.434 -3.889 . . . 1.0 . . . . . . . . . . . . A . 27 LYS HA . . . . . . . . . c30244_5us3 1 . 1 . 464 . 1 1 27 LYS HB2 H -7.831 -10.599 -4.712 . . . 1.0 . . . . . . . . . . . . A . 27 LYS HB2 . . . . . . . . . c30244_5us3 1 . 1 . 465 . 1 1 27 LYS HB3 H -8.920 -9.833 -5.859 . . . 1.0 . . . . . . . . . . . . A . 27 LYS HB3 . . . . . . . . . c30244_5us3 1 . 1 . 466 . 1 1 27 LYS HD2 H -5.868 -9.777 -6.019 . . . 1.0 . . . . . . . . . . . . A . 27 LYS HD2 . . . . . . . . . c30244_5us3 1 . 1 . 467 . 1 1 27 LYS HD3 H -6.965 -9.015 -7.171 . . . 1.0 . . . . . . . . . . . . A . 27 LYS HD3 . . . . . . . . . c30244_5us3 1 . 1 . 468 . 1 1 27 LYS HE2 H -4.904 -7.891 -7.407 . . . 1.0 . . . . . . . . . . . . A . 27 LYS HE2 . . . . . . . . . c30244_5us3 1 . 1 . 469 . 1 1 27 LYS HE3 H -5.939 -6.806 -6.482 . . . 1.0 . . . . . . . . . . . . A . 27 LYS HE3 . . . . . . . . . c30244_5us3 1 . 1 . 470 . 1 1 27 LYS HG2 H -7.916 -7.660 -5.366 . . . 1.0 . . . . . . . . . . . . A . 27 LYS HG2 . . . . . . . . . c30244_5us3 1 . 1 . 471 . 1 1 27 LYS HG3 H -6.823 -8.429 -4.213 . . . 1.0 . . . . . . . . . . . . A . 27 LYS HG3 . . . . . . . . . c30244_5us3 1 . 1 . 472 . 1 1 27 LYS HZ1 H -3.716 -6.914 -5.549 . . . 1.0 . . . . . . . . . . . . A . 27 LYS HZ1 . . . . . . . . . c30244_5us3 1 . 1 . 473 . 1 1 27 LYS HZ2 H -3.850 -8.588 -5.346 . . . 1.0 . . . . . . . . . . . . A . 27 LYS HZ2 . . . . . . . . . c30244_5us3 1 . 1 . 474 . 1 1 27 LYS HZ3 H -4.844 -7.548 -4.457 . . . 1.0 . . . . . . . . . . . . A . 27 LYS HZ3 . . . . . . . . . c30244_5us3 1 . 1 . 475 . 1 1 27 LYS N N -8.746 -9.578 -2.497 . . . 1.0 . . . . . . . . . . . . A . 27 LYS N . . . . . . . . . c30244_5us3 1 . 1 . 476 . 1 1 27 LYS NZ N -4.382 -7.695 -5.377 . . . 1.0 . . . . . . . . . . . . A . 27 LYS NZ . . . . . . . . . c30244_5us3 1 . 1 . 477 . 1 1 27 LYS O O -10.474 -11.563 -3.499 . . . 1.0 . . . . . . . . . . . . A . 27 LYS O . . . . . . . . . c30244_5us3 1 . 1 . 478 . 1 1 28 LYS C C -13.282 -10.715 -6.206 . . . 1.0 . . . . . . . . . . . . A . 28 LYS C . . . . . . . . . c30244_5us3 1 . 1 . 479 . 1 1 28 LYS CA C -12.856 -10.737 -4.735 . . . 1.0 . . . . . . . . . . . . A . 28 LYS CA . . . . . . . . . c30244_5us3 1 . 1 . 480 . 1 1 28 LYS CB C -13.990 -10.226 -3.834 . . . 1.0 . . . . . . . . . . . . A . 28 LYS CB . . . . . . . . . c30244_5us3 1 . 1 . 481 . 1 1 28 LYS CD C -16.073 -10.738 -2.519 . . . 1.0 . . . . . . . . . . . . A . 28 LYS CD . . . . . . . . . c30244_5us3 1 . 1 . 482 . 1 1 28 LYS CE C -17.055 -11.816 -2.089 . . . 1.0 . . . . . . . . . . . . A . 28 LYS CE . . . . . . . . . c30244_5us3 1 . 1 . 483 . 1 1 28 LYS CG C -14.975 -11.306 -3.404 . . . 1.0 . . . . . . . . . . . . A . 28 LYS CG . . . . . . . . . c30244_5us3 1 . 1 . 484 . 1 1 28 LYS H H -11.647 -9.004 -4.858 . . . 1.0 . . . . . . . . . . . . A . 28 LYS H . . . . . . . . . c30244_5us3 1 . 1 . 485 . 1 1 28 LYS HA H -12.619 -11.754 -4.458 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HA . . . . . . . . . c30244_5us3 1 . 1 . 486 . 1 1 28 LYS HB2 H -13.558 -9.791 -2.945 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HB2 . . . . . . . . . c30244_5us3 1 . 1 . 487 . 1 1 28 LYS HB3 H -14.538 -9.462 -4.365 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HB3 . . . . . . . . . c30244_5us3 1 . 1 . 488 . 1 1 28 LYS HD2 H -15.624 -10.303 -1.639 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HD2 . . . . . . . . . c30244_5us3 1 . 1 . 489 . 1 1 28 LYS HD3 H -16.606 -9.976 -3.068 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HD3 . . . . . . . . . c30244_5us3 1 . 1 . 490 . 1 1 28 LYS HE2 H -17.499 -12.253 -2.971 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HE2 . . . . . . . . . c30244_5us3 1 . 1 . 491 . 1 1 28 LYS HE3 H -16.517 -12.577 -1.543 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HE3 . . . . . . . . . c30244_5us3 1 . 1 . 492 . 1 1 28 LYS HG2 H -15.424 -11.740 -4.284 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HG2 . . . . . . . . . c30244_5us3 1 . 1 . 493 . 1 1 28 LYS HG3 H -14.441 -12.068 -2.856 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HG3 . . . . . . . . . c30244_5us3 1 . 1 . 494 . 1 1 28 LYS HZ1 H -18.789 -12.029 -0.944 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HZ1 . . . . . . . . . c30244_5us3 1 . 1 . 495 . 1 1 28 LYS HZ2 H -18.669 -10.539 -1.735 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HZ2 . . . . . . . . . c30244_5us3 1 . 1 . 496 . 1 1 28 LYS HZ3 H -17.726 -10.847 -0.365 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HZ3 . . . . . . . . . c30244_5us3 1 . 1 . 497 . 1 1 28 LYS N N -11.653 -9.930 -4.538 . . . 1.0 . . . . . . . . . . . . A . 28 LYS N . . . . . . . . . c30244_5us3 1 . 1 . 498 . 1 1 28 LYS NZ N -18.135 -11.270 -1.223 . . . 1.0 . . . . . . . . . . . . A . 28 LYS NZ . . . . . . . . . c30244_5us3 1 . 1 . 499 . 1 1 28 LYS O O -13.654 -9.672 -6.747 . . . 1.0 . . . . . . . . . . . . A . 28 LYS O . . . . . . . . . c30244_5us3 1 . 1 . 500 . 1 1 29 NH2 HN1 H -12.910 -12.663 -6.358 . . . 1.0 . . . . . . . . . . . . A . 29 NH2 HN1 . . . . . . . . . c30244_5us3 1 . 1 . 501 . 1 1 29 NH2 HN2 H -13.472 -11.891 -7.798 . . . 1.0 . . . . . . . . . . . . A . 29 NH2 HN2 . . . . . . . . . c30244_5us3 1 . 1 . 502 . 1 1 29 NH2 N N -13.215 -11.873 -6.853 . . . 1.0 . . . . . . . . . . . . A . 29 NH2 N . . . . . . . . . c30244_5us3 1 . 1 . 503 . 2 2 1 ZN ZN Zn 1.765 -0.622 -4.387 . . . 1.0 . . . . . . . . . . . . A . 101 ZN ZN . . . . . . . . . c30244_5us3 1 . 2 . 504 . 1 1 1 LYS C C 8.887 3.412 4.780 . . . 1.0 . . . . . . . . . . . . A . 1 LYS C . . . . . . . . . c30244_5us3 1 . 2 . 505 . 1 1 1 LYS CA C 9.064 2.451 5.949 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CA . . . . . . . . . c30244_5us3 1 . 2 . 506 . 1 1 1 LYS CB C 9.481 3.231 7.201 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CB . . . . . . . . . c30244_5us3 1 . 2 . 507 . 1 1 1 LYS CD C 9.742 3.273 9.700 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CD . . . . . . . . . c30244_5us3 1 . 2 . 508 . 1 1 1 LYS CE C 9.577 2.493 10.995 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CE . . . . . . . . . c30244_5us3 1 . 2 . 509 . 1 1 1 LYS CG C 9.327 2.445 8.496 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CG . . . . . . . . . c30244_5us3 1 . 2 . 510 . 1 1 1 LYS H1 H 10.992 1.844 5.424 . . . 1.0 . . . . . . . . . . . . A . 1 LYS H1 . . . . . . . . . c30244_5us3 1 . 2 . 511 . 1 1 1 LYS H2 H 9.769 0.858 4.798 . . . 1.0 . . . . . . . . . . . . A . 1 LYS H2 . . . . . . . . . c30244_5us3 1 . 2 . 512 . 1 1 1 LYS H3 H 10.182 0.756 6.435 . . . 1.0 . . . . . . . . . . . . A . 1 LYS H3 . . . . . . . . . c30244_5us3 1 . 2 . 513 . 1 1 1 LYS HA H 8.120 1.961 6.137 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HA . . . . . . . . . c30244_5us3 1 . 2 . 514 . 1 1 1 LYS HB2 H 10.517 3.519 7.102 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HB2 . . . . . . . . . c30244_5us3 1 . 2 . 515 . 1 1 1 LYS HB3 H 8.874 4.122 7.273 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HB3 . . . . . . . . . c30244_5us3 1 . 2 . 516 . 1 1 1 LYS HD2 H 10.777 3.556 9.592 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HD2 . . . . . . . . . c30244_5us3 1 . 2 . 517 . 1 1 1 LYS HD3 H 9.126 4.160 9.745 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HD3 . . . . . . . . . c30244_5us3 1 . 2 . 518 . 1 1 1 LYS HE2 H 8.542 2.204 11.097 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HE2 . . . . . . . . . c30244_5us3 1 . 2 . 519 . 1 1 1 LYS HE3 H 10.195 1.609 10.947 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HE3 . . . . . . . . . c30244_5us3 1 . 2 . 520 . 1 1 1 LYS HG2 H 8.294 2.154 8.609 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HG2 . . . . . . . . . c30244_5us3 1 . 2 . 521 . 1 1 1 LYS HG3 H 9.948 1.562 8.445 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HG3 . . . . . . . . . c30244_5us3 1 . 2 . 522 . 1 1 1 LYS HZ1 H 9.386 4.154 12.247 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HZ1 . . . . . . . . . c30244_5us3 1 . 2 . 523 . 1 1 1 LYS HZ2 H 10.971 3.583 12.105 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HZ2 . . . . . . . . . c30244_5us3 1 . 2 . 524 . 1 1 1 LYS HZ3 H 9.851 2.739 13.051 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HZ3 . . . . . . . . . c30244_5us3 1 . 2 . 525 . 1 1 1 LYS N N 10.073 1.404 5.629 . . . 1.0 . . . . . . . . . . . . A . 1 LYS N . . . . . . . . . c30244_5us3 1 . 2 . 526 . 1 1 1 LYS NZ N 9.974 3.298 12.183 . . . 1.0 . . . . . . . . . . . . A . 1 LYS NZ . . . . . . . . . c30244_5us3 1 . 2 . 527 . 1 1 1 LYS O O 9.824 3.642 4.009 . . . 1.0 . . . . . . . . . . . . A . 1 LYS O . . . . . . . . . c30244_5us3 1 . 2 . 528 . 1 1 2 TYR C C 7.343 4.296 2.183 . . . 1.0 . . . . . . . . . . . . A . 2 TYR C . . . . . . . . . c30244_5us3 1 . 2 . 529 . 1 1 2 TYR CA C 7.295 4.936 3.588 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CA . . . . . . . . . c30244_5us3 1 . 2 . 530 . 1 1 2 TYR CB C 8.184 6.194 3.621 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CB . . . . . . . . . c30244_5us3 1 . 2 . 531 . 1 1 2 TYR CD1 C 8.681 6.871 6.002 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CD1 . . . . . . . . . c30244_5us3 1 . 2 . 532 . 1 1 2 TYR CD2 C 7.018 8.093 4.810 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CD2 . . . . . . . . . c30244_5us3 1 . 2 . 533 . 1 1 2 TYR CE1 C 8.476 7.668 7.113 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CE1 . . . . . . . . . c30244_5us3 1 . 2 . 534 . 1 1 2 TYR CE2 C 6.808 8.895 5.915 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CE2 . . . . . . . . . c30244_5us3 1 . 2 . 535 . 1 1 2 TYR CG C 7.957 7.069 4.834 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CG . . . . . . . . . c30244_5us3 1 . 2 . 536 . 1 1 2 TYR CZ C 7.538 8.678 7.064 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CZ . . . . . . . . . c30244_5us3 1 . 2 . 537 . 1 1 2 TYR H H 6.982 3.734 5.317 . . . 1.0 . . . . . . . . . . . . A . 2 TYR H . . . . . . . . . c30244_5us3 1 . 2 . 538 . 1 1 2 TYR HA H 6.277 5.235 3.783 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HA . . . . . . . . . c30244_5us3 1 . 2 . 539 . 1 1 2 TYR HB2 H 9.220 5.893 3.620 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HB2 . . . . . . . . . c30244_5us3 1 . 2 . 540 . 1 1 2 TYR HB3 H 7.987 6.788 2.740 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HB3 . . . . . . . . . c30244_5us3 1 . 2 . 541 . 1 1 2 TYR HD1 H 9.414 6.080 6.037 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HD1 . . . . . . . . . c30244_5us3 1 . 2 . 542 . 1 1 2 TYR HD2 H 6.445 8.259 3.908 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HD2 . . . . . . . . . c30244_5us3 1 . 2 . 543 . 1 1 2 TYR HE1 H 9.050 7.498 8.011 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HE1 . . . . . . . . . c30244_5us3 1 . 2 . 544 . 1 1 2 TYR HE2 H 6.073 9.685 5.877 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HE2 . . . . . . . . . c30244_5us3 1 . 2 . 545 . 1 1 2 TYR HH H 6.389 9.583 8.311 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HH . . . . . . . . . c30244_5us3 1 . 2 . 546 . 1 1 2 TYR N N 7.666 3.975 4.658 . . . 1.0 . . . . . . . . . . . . A . 2 TYR N . . . . . . . . . c30244_5us3 1 . 2 . 547 . 1 1 2 TYR O O 8.204 3.448 1.934 . . . 1.0 . . . . . . . . . . . . A . 2 TYR O . . . . . . . . . c30244_5us3 1 . 2 . 548 . 1 1 2 TYR OH O 7.332 9.474 8.167 . . . 1.0 . . . . . . . . . . . . A . 2 TYR OH . . . . . . . . . c30244_5us3 1 . 2 . 549 . 1 1 3 . C C 6.012 2.660 -0.187 . . . 1.0 . . . . . . . . . . . . A . 3 MAA C . . . . . . . . . c30244_5us3 1 . 2 . 550 . 1 1 3 . CA C 6.375 4.125 -0.156 . . . 1.0 . . . . . . . . . . . . A . 3 MAA CA . . . . . . . . . c30244_5us3 1 . 2 . 551 . 1 1 3 . CB C 7.707 4.265 -0.870 . . . 1.0 . . . . . . . . . . . . A . 3 MAA CB . . . . . . . . . c30244_5us3 1 . 2 . 552 . 1 1 3 . CM C 5.348 5.667 1.574 . . . 1.0 . . . . . . . . . . . . A . 3 MAA CM . . . . . . . . . c30244_5us3 1 . 2 . 553 . 1 1 3 . HA H 5.632 4.650 -0.762 . . . 1.0 . . . . . . . . . . . . A . 3 MAA HA . . . . . . . . . c30244_5us3 1 . 2 . 554 . 1 1 3 . HB1 H 7.809 5.261 -1.265 . . . 1.0 . . . . . . . . . . . . A . 3 MAA HB1 . . . . . . . . . c30244_5us3 1 . 2 . 555 . 1 1 3 . HB2 H 7.730 3.541 -1.677 . . . 1.0 . . . . . . . . . . . . A . 3 MAA HB2 . . . . . . . . . c30244_5us3 1 . 2 . 556 . 1 1 3 . HB3 H 8.507 4.057 -0.179 . . . 1.0 . . . . . . . . . . . . A . 3 MAA HB3 . . . . . . . . . c30244_5us3 1 . 2 . 557 . 1 1 3 . HM1 H 5.793 6.525 2.053 . . . 1.0 . . . . . . . . . . . . A . 3 MAA HM1 . . . . . . . . . c30244_5us3 1 . 2 . 558 . 1 1 3 . HM2 H 4.634 5.208 2.242 . . . 1.0 . . . . . . . . . . . . A . 3 MAA HM2 . . . . . . . . . c30244_5us3 1 . 2 . 559 . 1 1 3 . HM3 H 4.841 5.983 0.676 . . . 1.0 . . . . . . . . . . . . A . 3 MAA HM3 . . . . . . . . . c30244_5us3 1 . 2 . 560 . 1 1 3 . N N 6.406 4.681 1.230 . . . 1.0 . . . . . . . . . . . . A . 3 MAA N . . . . . . . . . c30244_5us3 1 . 2 . 561 . 1 1 3 . O O 6.242 1.911 0.764 . . . 1.0 . . . . . . . . . . . . A . 3 MAA O . . . . . . . . . c30244_5us3 1 . 2 . 562 . 1 1 4 CYS C C 6.213 -0.055 -1.799 . . . 1.0 . . . . . . . . . . . . A . 4 CYS C . . . . . . . . . c30244_5us3 1 . 2 . 563 . 1 1 4 CYS CA C 5.072 0.934 -1.644 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CA . . . . . . . . . c30244_5us3 1 . 2 . 564 . 1 1 4 CYS CB C 4.242 1.005 -2.882 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CB . . . . . . . . . c30244_5us3 1 . 2 . 565 . 1 1 4 CYS H H 5.420 2.953 -2.051 . . . 1.0 . . . . . . . . . . . . A . 4 CYS H . . . . . . . . . c30244_5us3 1 . 2 . 566 . 1 1 4 CYS HA H 4.457 0.569 -0.848 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HA . . . . . . . . . c30244_5us3 1 . 2 . 567 . 1 1 4 CYS HB2 H 3.290 1.474 -2.654 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB2 . . . . . . . . . c30244_5us3 1 . 2 . 568 . 1 1 4 CYS HB3 H 4.762 1.604 -3.607 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB3 . . . . . . . . . c30244_5us3 1 . 2 . 569 . 1 1 4 CYS N N 5.506 2.278 -1.345 . . . 1.0 . . . . . . . . . . . . A . 4 CYS N . . . . . . . . . c30244_5us3 1 . 2 . 570 . 1 1 4 CYS O O 7.287 0.274 -2.309 . . . 1.0 . . . . . . . . . . . . A . 4 CYS O . . . . . . . . . c30244_5us3 1 . 2 . 571 . 1 1 4 CYS SG S 3.920 -0.578 -3.630 . . . 1.0 . . . . . . . . . . . . A . 4 CYS SG . . . . . . . . . c30244_5us3 1 . 2 . 572 . 1 1 5 PRO C C 6.948 -3.239 -2.649 . . . 1.0 . . . . . . . . . . . . A . 5 PRO C . . . . . . . . . c30244_5us3 1 . 2 . 573 . 1 1 5 PRO CA C 6.918 -2.392 -1.367 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CA . . . . . . . . . c30244_5us3 1 . 2 . 574 . 1 1 5 PRO CB C 6.390 -3.209 -0.197 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CB . . . . . . . . . c30244_5us3 1 . 2 . 575 . 1 1 5 PRO CD C 4.668 -1.726 -0.690 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CD . . . . . . . . . c30244_5us3 1 . 2 . 576 . 1 1 5 PRO CG C 4.923 -3.159 -0.398 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CG . . . . . . . . . c30244_5us3 1 . 2 . 577 . 1 1 5 PRO HA H 7.907 -2.048 -1.146 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HA . . . . . . . . . c30244_5us3 1 . 2 . 578 . 1 1 5 PRO HB2 H 6.772 -4.217 -0.227 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HB2 . . . . . . . . . c30244_5us3 1 . 2 . 579 . 1 1 5 PRO HB3 H 6.641 -2.715 0.726 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HB3 . . . . . . . . . c30244_5us3 1 . 2 . 580 . 1 1 5 PRO HD2 H 3.829 -1.615 -1.364 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HD2 . . . . . . . . . c30244_5us3 1 . 2 . 581 . 1 1 5 PRO HD3 H 4.500 -1.182 0.227 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HD3 . . . . . . . . . c30244_5us3 1 . 2 . 582 . 1 1 5 PRO HG2 H 4.645 -3.767 -1.251 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HG2 . . . . . . . . . c30244_5us3 1 . 2 . 583 . 1 1 5 PRO HG3 H 4.399 -3.462 0.491 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HG3 . . . . . . . . . c30244_5us3 1 . 2 . 584 . 1 1 5 PRO N N 5.949 -1.294 -1.342 . . . 1.0 . . . . . . . . . . . . A . 5 PRO N . . . . . . . . . c30244_5us3 1 . 2 . 585 . 1 1 5 PRO O O 7.958 -3.898 -2.921 . . . 1.0 . . . . . . . . . . . . A . 5 PRO O . . . . . . . . . c30244_5us3 1 . 2 . 586 . 1 1 6 GLU C C 5.434 -3.282 -5.907 . . . 1.0 . . . . . . . . . . . . A . 6 GLU C . . . . . . . . . c30244_5us3 1 . 2 . 587 . 1 1 6 GLU CA C 5.820 -4.064 -4.653 . . . 1.0 . . . . . . . . . . . . A . 6 GLU CA . . . . . . . . . c30244_5us3 1 . 2 . 588 . 1 1 6 GLU CB C 4.910 -5.307 -4.508 . . . 1.0 . . . . . . . . . . . . A . 6 GLU CB . . . . . . . . . c30244_5us3 1 . 2 . 589 . 1 1 6 GLU CD C 4.349 -7.269 -3.015 . . . 1.0 . . . . . . . . . . . . A . 6 GLU CD . . . . . . . . . c30244_5us3 1 . 2 . 590 . 1 1 6 GLU CG C 4.699 -5.795 -3.080 . . . 1.0 . . . . . . . . . . . . A . 6 GLU CG . . . . . . . . . c30244_5us3 1 . 2 . 591 . 1 1 6 GLU H H 5.105 -2.616 -3.206 . . . 1.0 . . . . . . . . . . . . A . 6 GLU H . . . . . . . . . c30244_5us3 1 . 2 . 592 . 1 1 6 GLU HA H 6.825 -4.419 -4.800 . . . 1.0 . . . . . . . . . . . . A . 6 GLU HA . . . . . . . . . c30244_5us3 1 . 2 . 593 . 1 1 6 GLU HB2 H 3.946 -5.088 -4.932 . . . 1.0 . . . . . . . . . . . . A . 6 GLU HB2 . . . . . . . . . c30244_5us3 1 . 2 . 594 . 1 1 6 GLU HB3 H 5.351 -6.118 -5.072 . . . 1.0 . . . . . . . . . . . . A . 6 GLU HB3 . . . . . . . . . c30244_5us3 1 . 2 . 595 . 1 1 6 GLU HG2 H 5.603 -5.627 -2.516 . . . 1.0 . . . . . . . . . . . . A . 6 GLU HG2 . . . . . . . . . c30244_5us3 1 . 2 . 596 . 1 1 6 GLU HG3 H 3.890 -5.231 -2.642 . . . 1.0 . . . . . . . . . . . . A . 6 GLU HG3 . . . . . . . . . c30244_5us3 1 . 2 . 597 . 1 1 6 GLU N N 5.861 -3.224 -3.432 . . . 1.0 . . . . . . . . . . . . A . 6 GLU N . . . . . . . . . c30244_5us3 1 . 2 . 598 . 1 1 6 GLU O O 5.712 -3.739 -7.021 . . . 1.0 . . . . . . . . . . . . A . 6 GLU O . . . . . . . . . c30244_5us3 1 . 2 . 599 . 1 1 6 GLU OE1 O 3.144 -7.597 -3.049 . . . 1.0 . . . . . . . . . . . . A . 6 GLU OE1 . . . . . . . . . c30244_5us3 1 . 2 . 600 . 1 1 6 GLU OE2 O 5.280 -8.097 -2.929 . . . 1.0 . . . . . . . . . . . . A . 6 GLU OE2 . . . . . . . . . c30244_5us3 1 . 2 . 601 . 1 1 7 CYS C C 4.709 0.205 -6.664 . . . 1.0 . . . . . . . . . . . . A . 7 CYS C . . . . . . . . . c30244_5us3 1 . 2 . 602 . 1 1 7 CYS CA C 4.423 -1.291 -6.895 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CA . . . . . . . . . c30244_5us3 1 . 2 . 603 . 1 1 7 CYS CB C 2.979 -1.511 -7.390 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CB . . . . . . . . . c30244_5us3 1 . 2 . 604 . 1 1 7 CYS H H 4.634 -1.797 -4.821 . . . 1.0 . . . . . . . . . . . . A . 7 CYS H . . . . . . . . . c30244_5us3 1 . 2 . 605 . 1 1 7 CYS HA H 5.071 -1.622 -7.678 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HA . . . . . . . . . c30244_5us3 1 . 2 . 606 . 1 1 7 CYS HB2 H 2.944 -1.236 -8.428 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB2 . . . . . . . . . c30244_5us3 1 . 2 . 607 . 1 1 7 CYS HB3 H 2.732 -2.556 -7.292 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB3 . . . . . . . . . c30244_5us3 1 . 2 . 608 . 1 1 7 CYS N N 4.802 -2.117 -5.737 . . . 1.0 . . . . . . . . . . . . A . 7 CYS N . . . . . . . . . c30244_5us3 1 . 2 . 609 . 1 1 7 CYS O O 4.107 0.822 -5.794 . . . 1.0 . . . . . . . . . . . . A . 7 CYS O . . . . . . . . . c30244_5us3 1 . 2 . 610 . 1 1 7 CYS SG S 1.668 -0.553 -6.580 . . . 1.0 . . . . . . . . . . . . A . 7 CYS SG . . . . . . . . . c30244_5us3 1 . 2 . 611 . 1 1 8 PRO C C 4.910 3.269 -7.457 . . . 1.0 . . . . . . . . . . . . A . 8 PRO C . . . . . . . . . c30244_5us3 1 . 2 . 612 . 1 1 8 PRO CA C 6.050 2.231 -7.397 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CA . . . . . . . . . c30244_5us3 1 . 2 . 613 . 1 1 8 PRO CB C 6.980 2.389 -8.609 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CB . . . . . . . . . c30244_5us3 1 . 2 . 614 . 1 1 8 PRO CD C 6.355 0.101 -8.537 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CD . . . . . . . . . c30244_5us3 1 . 2 . 615 . 1 1 8 PRO CG C 7.482 1.024 -8.889 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CG . . . . . . . . . c30244_5us3 1 . 2 . 616 . 1 1 8 PRO HA H 6.622 2.406 -6.497 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HA . . . . . . . . . c30244_5us3 1 . 2 . 617 . 1 1 8 PRO HB2 H 6.421 2.778 -9.452 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HB2 . . . . . . . . . c30244_5us3 1 . 2 . 618 . 1 1 8 PRO HB3 H 7.801 3.046 -8.369 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HB3 . . . . . . . . . c30244_5us3 1 . 2 . 619 . 1 1 8 PRO HD2 H 5.706 -0.054 -9.379 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HD2 . . . . . . . . . c30244_5us3 1 . 2 . 620 . 1 1 8 PRO HD3 H 6.733 -0.838 -8.165 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HD3 . . . . . . . . . c30244_5us3 1 . 2 . 621 . 1 1 8 PRO HG2 H 7.738 0.933 -9.937 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HG2 . . . . . . . . . c30244_5us3 1 . 2 . 622 . 1 1 8 PRO HG3 H 8.340 0.810 -8.270 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HG3 . . . . . . . . . c30244_5us3 1 . 2 . 623 . 1 1 8 PRO N N 5.629 0.804 -7.477 . . . 1.0 . . . . . . . . . . . . A . 8 PRO N . . . . . . . . . c30244_5us3 1 . 2 . 624 . 1 1 8 PRO O O 5.018 4.298 -8.138 . . . 1.0 . . . . . . . . . . . . A . 8 PRO O . . . . . . . . . c30244_5us3 1 . 2 . 625 . 1 1 9 LYS C C 3.040 5.159 -5.800 . . . 1.0 . . . . . . . . . . . . A . 9 LYS C . . . . . . . . . c30244_5us3 1 . 2 . 626 . 1 1 9 LYS CA C 2.689 3.904 -6.614 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CA . . . . . . . . . c30244_5us3 1 . 2 . 627 . 1 1 9 LYS CB C 1.455 3.149 -6.089 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CB . . . . . . . . . c30244_5us3 1 . 2 . 628 . 1 1 9 LYS CD C -0.426 4.723 -6.810 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CD . . . . . . . . . c30244_5us3 1 . 2 . 629 . 1 1 9 LYS CE C -1.319 5.048 -7.996 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CE . . . . . . . . . c30244_5us3 1 . 2 . 630 . 1 1 9 LYS CG C 0.198 3.333 -6.945 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CG . . . . . . . . . c30244_5us3 1 . 2 . 631 . 1 1 9 LYS H H 3.784 2.146 -6.239 . . . 1.0 . . . . . . . . . . . . A . 9 LYS H . . . . . . . . . c30244_5us3 1 . 2 . 632 . 1 1 9 LYS HA H 2.479 4.241 -7.555 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HA . . . . . . . . . c30244_5us3 1 . 2 . 633 . 1 1 9 LYS HB2 H 1.687 2.094 -6.067 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB2 . . . . . . . . . c30244_5us3 1 . 2 . 634 . 1 1 9 LYS HB3 H 1.242 3.474 -5.090 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB3 . . . . . . . . . c30244_5us3 1 . 2 . 635 . 1 1 9 LYS HD2 H -1.024 4.754 -5.911 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD2 . . . . . . . . . c30244_5us3 1 . 2 . 636 . 1 1 9 LYS HD3 H 0.361 5.459 -6.750 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD3 . . . . . . . . . c30244_5us3 1 . 2 . 637 . 1 1 9 LYS HE2 H -0.728 5.004 -8.899 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE2 . . . . . . . . . c30244_5us3 1 . 2 . 638 . 1 1 9 LYS HE3 H -2.108 4.312 -8.049 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE3 . . . . . . . . . c30244_5us3 1 . 2 . 639 . 1 1 9 LYS HG2 H 0.456 3.175 -7.980 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG2 . . . . . . . . . c30244_5us3 1 . 2 . 640 . 1 1 9 LYS HG3 H -0.532 2.598 -6.646 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG3 . . . . . . . . . c30244_5us3 1 . 2 . 641 . 1 1 9 LYS HZ1 H -1.180 7.126 -7.837 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ1 . . . . . . . . . c30244_5us3 1 . 2 . 642 . 1 1 9 LYS HZ2 H -2.503 6.463 -7.019 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ2 . . . . . . . . . c30244_5us3 1 . 2 . 643 . 1 1 9 LYS HZ3 H -2.532 6.594 -8.705 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ3 . . . . . . . . . c30244_5us3 1 . 2 . 644 . 1 1 9 LYS N N 3.827 2.999 -6.718 . . . 1.0 . . . . . . . . . . . . A . 9 LYS N . . . . . . . . . c30244_5us3 1 . 2 . 645 . 1 1 9 LYS NZ N -1.926 6.403 -7.881 . . . 1.0 . . . . . . . . . . . . A . 9 LYS NZ . . . . . . . . . c30244_5us3 1 . 2 . 646 . 1 1 9 LYS O O 2.623 6.251 -6.182 . . . 1.0 . . . . . . . . . . . . A . 9 LYS O . . . . . . . . . c30244_5us3 1 . 2 . 647 . 1 1 10 MMO C C 3.422 7.343 -3.737 . . . 1.0 . . . . . . . . . . . . A . 10 MMO C . . . . . . . . . c30244_5us3 1 . 2 . 648 . 1 1 10 MMO CA C 4.302 6.095 -3.805 . . . 1.0 . . . . . . . . . . . . A . 10 MMO CA . . . . . . . . . c30244_5us3 1 . 2 . 649 . 1 1 10 MMO CB C 5.724 6.420 -4.306 . . . 1.0 . . . . . . . . . . . . A . 10 MMO CB . . . . . . . . . c30244_5us3 1 . 2 . 650 . 1 1 10 MMO CD C 8.100 6.663 -3.512 . . . 1.0 . . . . . . . . . . . . A . 10 MMO CD . . . . . . . . . c30244_5us3 1 . 2 . 651 . 1 1 10 MMO CG C 6.645 7.038 -3.258 . . . 1.0 . . . . . . . . . . . . A . 10 MMO CG . . . . . . . . . c30244_5us3 1 . 2 . 652 . 1 1 10 MMO CN C 4.179 3.663 -4.231 . . . 1.0 . . . . . . . . . . . . A . 10 MMO CN . . . . . . . . . c30244_5us3 1 . 2 . 653 . 1 1 10 MMO CZ C 9.942 7.281 -5.070 . . . 1.0 . . . . . . . . . . . . A . 10 MMO CZ . . . . . . . . . c30244_5us3 1 . 2 . 654 . 1 1 10 MMO HA H 4.351 5.673 -2.833 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HA . . . . . . . . . c30244_5us3 1 . 2 . 655 . 1 1 10 MMO HC1 H 3.943 3.558 -3.184 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HC1 . . . . . . . . . c30244_5us3 1 . 2 . 656 . 1 1 10 MMO HC2 H 5.235 3.498 -4.389 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HC2 . . . . . . . . . c30244_5us3 1 . 2 . 657 . 1 1 10 MMO HC3 H 3.608 2.944 -4.804 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HC3 . . . . . . . . . c30244_5us3 1 . 2 . 658 . 1 1 10 MMO HCB1 H 5.652 7.103 -5.140 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HCB1 . . . . . . . . . c30244_5us3 1 . 2 . 659 . 1 1 10 MMO HCB2 H 6.178 5.504 -4.643 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HCB2 . . . . . . . . . c30244_5us3 1 . 2 . 660 . 1 1 10 MMO HCD1 H 8.153 5.600 -3.710 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HCD1 . . . . . . . . . c30244_5us3 1 . 2 . 661 . 1 1 10 MMO HCD2 H 8.676 6.893 -2.630 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HCD2 . . . . . . . . . c30244_5us3 1 . 2 . 662 . 1 1 10 MMO HCG1 H 6.355 6.681 -2.282 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HCG1 . . . . . . . . . c30244_5us3 1 . 2 . 663 . 1 1 10 MMO HCG2 H 6.549 8.114 -3.293 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HCG2 . . . . . . . . . c30244_5us3 1 . 2 . 664 . 1 1 10 MMO HH11 H 11.747 6.410 -4.773 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HH11 . . . . . . . . . c30244_5us3 1 . 2 . 665 . 1 1 10 MMO HH12 H 10.508 5.941 -3.658 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HH12 . . . . . . . . . c30244_5us3 1 . 2 . 666 . 1 1 10 MMO HH21 H 9.712 8.590 -6.592 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HH21 . . . . . . . . . c30244_5us3 1 . 2 . 667 . 1 1 10 MMO HH22 H 11.296 7.909 -6.432 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HH22 . . . . . . . . . c30244_5us3 1 . 2 . 668 . 1 1 10 MMO N N 3.823 5.010 -4.683 . . . 1.0 . . . . . . . . . . . . A . 10 MMO N . . . . . . . . . c30244_5us3 1 . 2 . 669 . 1 1 10 MMO NE N 8.671 7.388 -4.656 . . . 1.0 . . . . . . . . . . . . A . 10 MMO NE . . . . . . . . . c30244_5us3 1 . 2 . 670 . 1 1 10 MMO NH1 N 10.804 6.478 -4.449 . . . 1.0 . . . . . . . . . . . . A . 10 MMO NH1 . . . . . . . . . c30244_5us3 1 . 2 . 671 . 1 1 10 MMO NH2 N 10.350 7.984 -6.117 . . . 1.0 . . . . . . . . . . . . A . 10 MMO NH2 . . . . . . . . . c30244_5us3 1 . 2 . 672 . 1 1 10 MMO O O 3.112 7.970 -4.753 . . . 1.0 . . . . . . . . . . . . A . 10 MMO O . . . . . . . . . c30244_5us3 1 . 2 . 673 . 1 1 11 PHE C C 2.735 9.810 -1.257 . . . 1.0 . . . . . . . . . . . . A . 11 PHE C . . . . . . . . . c30244_5us3 1 . 2 . 674 . 1 1 11 PHE CA C 2.153 8.813 -2.254 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CA . . . . . . . . . c30244_5us3 1 . 2 . 675 . 1 1 11 PHE CB C 0.810 8.195 -1.765 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CB . . . . . . . . . c30244_5us3 1 . 2 . 676 . 1 1 11 PHE CD1 C 0.746 5.769 -1.003 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CD1 . . . . . . . . . c30244_5us3 1 . 2 . 677 . 1 1 11 PHE CD2 C 0.709 6.231 -3.339 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CD2 . . . . . . . . . c30244_5us3 1 . 2 . 678 . 1 1 11 PHE CE1 C 0.727 4.420 -1.282 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CE1 . . . . . . . . . c30244_5us3 1 . 2 . 679 . 1 1 11 PHE CE2 C 0.701 4.896 -3.611 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CE2 . . . . . . . . . c30244_5us3 1 . 2 . 680 . 1 1 11 PHE CG C 0.737 6.701 -2.033 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CG . . . . . . . . . c30244_5us3 1 . 2 . 681 . 1 1 11 PHE CZ C 0.713 3.987 -2.605 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CZ . . . . . . . . . c30244_5us3 1 . 2 . 682 . 1 1 11 PHE H H 3.464 7.248 -1.737 . . . 1.0 . . . . . . . . . . . . A . 11 PHE H . . . . . . . . . c30244_5us3 1 . 2 . 683 . 1 1 11 PHE HA H 1.983 9.320 -3.192 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HA . . . . . . . . . c30244_5us3 1 . 2 . 684 . 1 1 11 PHE HB2 H 0.710 8.352 -0.702 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HB2 . . . . . . . . . c30244_5us3 1 . 2 . 685 . 1 1 11 PHE HB3 H -0.013 8.670 -2.278 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HB3 . . . . . . . . . c30244_5us3 1 . 2 . 686 . 1 1 11 PHE HD1 H 0.792 6.095 0.026 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HD1 . . . . . . . . . c30244_5us3 1 . 2 . 687 . 1 1 11 PHE HD2 H 0.708 6.935 -4.151 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HD2 . . . . . . . . . c30244_5us3 1 . 2 . 688 . 1 1 11 PHE HE1 H 0.725 3.716 -0.469 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HE1 . . . . . . . . . c30244_5us3 1 . 2 . 689 . 1 1 11 PHE HE2 H 0.730 4.552 -4.636 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HE2 . . . . . . . . . c30244_5us3 1 . 2 . 690 . 1 1 11 PHE HZ H 0.701 2.933 -2.859 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HZ . . . . . . . . . c30244_5us3 1 . 2 . 691 . 1 1 11 PHE N N 3.076 7.717 -2.504 . . . 1.0 . . . . . . . . . . . . A . 11 PHE N . . . . . . . . . c30244_5us3 1 . 2 . 692 . 1 1 11 PHE O O 3.331 10.813 -1.665 . . . 1.0 . . . . . . . . . . . . A . 11 PHE O . . . . . . . . . c30244_5us3 1 . 2 . 693 . 1 1 12 NLE C C 2.778 9.796 2.499 . . . 1.0 . . . . . . . . . . . . A . 12 NLE C . . . . . . . . . c30244_5us3 1 . 2 . 694 . 1 1 12 NLE CA C 3.068 10.401 1.119 . . . 1.0 . . . . . . . . . . . . A . 12 NLE CA . . . . . . . . . c30244_5us3 1 . 2 . 695 . 1 1 12 NLE CB C 2.423 11.798 1.024 . . . 1.0 . . . . . . . . . . . . A . 12 NLE CB . . . . . . . . . c30244_5us3 1 . 2 . 696 . 1 1 12 NLE CD C 2.387 13.716 2.649 . . . 1.0 . . . . . . . . . . . . A . 12 NLE CD . . . . . . . . . c30244_5us3 1 . 2 . 697 . 1 1 12 NLE CE C 3.219 14.795 3.305 . . . 1.0 . . . . . . . . . . . . A . 12 NLE CE . . . . . . . . . c30244_5us3 1 . 2 . 698 . 1 1 12 NLE CG C 3.236 12.914 1.677 . . . 1.0 . . . . . . . . . . . . A . 12 NLE CG . . . . . . . . . c30244_5us3 1 . 2 . 699 . 1 1 12 NLE H H 2.101 8.706 0.294 . . . 1.0 . . . . . . . . . . . . A . 12 NLE H . . . . . . . . . c30244_5us3 1 . 2 . 700 . 1 1 12 NLE HA H 4.137 10.497 0.999 . . . 1.0 . . . . . . . . . . . . A . 12 NLE HA . . . . . . . . . c30244_5us3 1 . 2 . 701 . 1 1 12 NLE HB2 H 1.454 11.761 1.499 . . . 1.0 . . . . . . . . . . . . A . 12 NLE HB2 . . . . . . . . . c30244_5us3 1 . 2 . 702 . 1 1 12 NLE HB3 H 2.290 12.038 -0.021 . . . 1.0 . . . . . . . . . . . . A . 12 NLE HB3 . . . . . . . . . c30244_5us3 1 . 2 . 703 . 1 1 12 NLE HD2 H 2.002 13.058 3.415 . . . 1.0 . . . . . . . . . . . . A . 12 NLE HD2 . . . . . . . . . c30244_5us3 1 . 2 . 704 . 1 1 12 NLE HD3 H 1.572 14.181 2.116 . . . 1.0 . . . . . . . . . . . . A . 12 NLE HD3 . . . . . . . . . c30244_5us3 1 . 2 . 705 . 1 1 12 NLE HE1 H 4.039 14.341 3.843 . . . 1.0 . . . . . . . . . . . . A . 12 NLE HE1 . . . . . . . . . c30244_5us3 1 . 2 . 706 . 1 1 12 NLE HE2 H 2.604 15.356 3.993 . . . 1.0 . . . . . . . . . . . . A . 12 NLE HE2 . . . . . . . . . c30244_5us3 1 . 2 . 707 . 1 1 12 NLE HE3 H 3.611 15.458 2.548 . . . 1.0 . . . . . . . . . . . . A . 12 NLE HE3 . . . . . . . . . c30244_5us3 1 . 2 . 708 . 1 1 12 NLE HG2 H 3.611 13.576 0.910 . . . 1.0 . . . . . . . . . . . . A . 12 NLE HG2 . . . . . . . . . c30244_5us3 1 . 2 . 709 . 1 1 12 NLE HG3 H 4.063 12.477 2.215 . . . 1.0 . . . . . . . . . . . . A . 12 NLE HG3 . . . . . . . . . c30244_5us3 1 . 2 . 710 . 1 1 12 NLE N N 2.570 9.529 0.047 . . . 1.0 . . . . . . . . . . . . A . 12 NLE N . . . . . . . . . c30244_5us3 1 . 2 . 711 . 1 1 12 NLE O O 3.240 10.328 3.515 . . . 1.0 . . . . . . . . . . . . A . 12 NLE O . . . . . . . . . c30244_5us3 1 . 2 . 712 . 1 1 13 ARG C C 1.987 6.573 3.774 . . . 1.0 . . . . . . . . . . . . A . 13 ARG C . . . . . . . . . c30244_5us3 1 . 2 . 713 . 1 1 13 ARG CA C 1.676 8.055 3.803 . . . 1.0 . . . . . . . . . . . . A . 13 ARG CA . . . . . . . . . c30244_5us3 1 . 2 . 714 . 1 1 13 ARG CB C 0.202 8.292 4.132 . . . 1.0 . . . . . . . . . . . . A . 13 ARG CB . . . . . . . . . c30244_5us3 1 . 2 . 715 . 1 1 13 ARG CD C -1.497 9.753 5.290 . . . 1.0 . . . . . . . . . . . . A . 13 ARG CD . . . . . . . . . c30244_5us3 1 . 2 . 716 . 1 1 13 ARG CG C -0.018 9.451 5.094 . . . 1.0 . . . . . . . . . . . . A . 13 ARG CG . . . . . . . . . c30244_5us3 1 . 2 . 717 . 1 1 13 ARG CZ C -2.979 11.457 4.242 . . . 1.0 . . . . . . . . . . . . A . 13 ARG CZ . . . . . . . . . c30244_5us3 1 . 2 . 718 . 1 1 13 ARG H H 1.720 8.266 1.689 . . . 1.0 . . . . . . . . . . . . A . 13 ARG H . . . . . . . . . c30244_5us3 1 . 2 . 719 . 1 1 13 ARG HA H 2.281 8.515 4.570 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HA . . . . . . . . . c30244_5us3 1 . 2 . 720 . 1 1 13 ARG HB2 H -0.328 8.508 3.217 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HB2 . . . . . . . . . c30244_5us3 1 . 2 . 721 . 1 1 13 ARG HB3 H -0.209 7.398 4.577 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HB3 . . . . . . . . . c30244_5us3 1 . 2 . 722 . 1 1 13 ARG HD2 H -2.025 8.820 5.420 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HD2 . . . . . . . . . c30244_5us3 1 . 2 . 723 . 1 1 13 ARG HD3 H -1.612 10.356 6.178 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HD3 . . . . . . . . . c30244_5us3 1 . 2 . 724 . 1 1 13 ARG HE H -1.769 10.208 3.254 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HE . . . . . . . . . c30244_5us3 1 . 2 . 725 . 1 1 13 ARG HG2 H 0.415 9.198 6.050 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HG2 . . . . . . . . . c30244_5us3 1 . 2 . 726 . 1 1 13 ARG HG3 H 0.469 10.330 4.698 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HG3 . . . . . . . . . c30244_5us3 1 . 2 . 727 . 1 1 13 ARG HH11 H -3.099 11.433 6.264 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HH11 . . . . . . . . . c30244_5us3 1 . 2 . 728 . 1 1 13 ARG HH12 H -4.108 12.600 5.477 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HH12 . . . . . . . . . c30244_5us3 1 . 2 . 729 . 1 1 13 ARG HH21 H -4.107 12.774 3.203 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HH21 . . . . . . . . . c30244_5us3 1 . 2 . 730 . 1 1 13 ARG HH22 H -3.098 11.742 2.245 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HH22 . . . . . . . . . c30244_5us3 1 . 2 . 731 . 1 1 13 ARG N N 2.024 8.685 2.535 . . . 1.0 . . . . . . . . . . . . A . 13 ARG N . . . . . . . . . c30244_5us3 1 . 2 . 732 . 1 1 13 ARG NE N -2.073 10.473 4.148 . . . 1.0 . . . . . . . . . . . . A . 13 ARG NE . . . . . . . . . c30244_5us3 1 . 2 . 733 . 1 1 13 ARG NH1 N -3.434 11.863 5.427 . . . 1.0 . . . . . . . . . . . . A . 13 ARG NH1 . . . . . . . . . c30244_5us3 1 . 2 . 734 . 1 1 13 ARG NH2 N -3.432 12.038 3.140 . . . 1.0 . . . . . . . . . . . . A . 13 ARG NH2 . . . . . . . . . c30244_5us3 1 . 2 . 735 . 1 1 13 ARG O O 1.733 5.894 2.773 . . . 1.0 . . . . . . . . . . . . A . 13 ARG O . . . . . . . . . c30244_5us3 1 . 2 . 736 . 1 1 14 SER C C 1.754 3.845 5.575 . . . 1.0 . . . . . . . . . . . . A . 14 SER C . . . . . . . . . c30244_5us3 1 . 2 . 737 . 1 1 14 SER CA C 2.908 4.676 5.007 . . . 1.0 . . . . . . . . . . . . A . 14 SER CA . . . . . . . . . c30244_5us3 1 . 2 . 738 . 1 1 14 SER CB C 4.148 4.527 5.892 . . . 1.0 . . . . . . . . . . . . A . 14 SER CB . . . . . . . . . c30244_5us3 1 . 2 . 739 . 1 1 14 SER H H 2.699 6.683 5.641 . . . 1.0 . . . . . . . . . . . . A . 14 SER H . . . . . . . . . c30244_5us3 1 . 2 . 740 . 1 1 14 SER HA H 3.139 4.321 4.012 . . . 1.0 . . . . . . . . . . . . A . 14 SER HA . . . . . . . . . c30244_5us3 1 . 2 . 741 . 1 1 14 SER HB2 H 4.892 5.250 5.594 . . . 1.0 . . . . . . . . . . . . A . 14 SER HB2 . . . . . . . . . c30244_5us3 1 . 2 . 742 . 1 1 14 SER HB3 H 3.874 4.701 6.923 . . . 1.0 . . . . . . . . . . . . A . 14 SER HB3 . . . . . . . . . c30244_5us3 1 . 2 . 743 . 1 1 14 SER HG H 4.648 2.781 6.631 . . . 1.0 . . . . . . . . . . . . A . 14 SER HG . . . . . . . . . c30244_5us3 1 . 2 . 744 . 1 1 14 SER N N 2.539 6.081 4.884 . . . 1.0 . . . . . . . . . . . . A . 14 SER N . . . . . . . . . c30244_5us3 1 . 2 . 745 . 1 1 14 SER O O 1.520 2.723 5.124 . . . 1.0 . . . . . . . . . . . . A . 14 SER O . . . . . . . . . c30244_5us3 1 . 2 . 746 . 1 1 14 SER OG O 4.706 3.228 5.782 . . . 1.0 . . . . . . . . . . . . A . 14 SER OG . . . . . . . . . c30244_5us3 1 . 2 . 747 . 1 1 15 B3D C C -2.085 4.150 5.695 . . . 1.0 . . . . . . . . . . . . A . 15 B3D C . . . . . . . . . c30244_5us3 1 . 2 . 748 . 1 1 15 B3D CA C -1.377 4.500 6.975 . . . 1.0 . . . . . . . . . . . . A . 15 B3D CA . . . . . . . . . c30244_5us3 1 . 2 . 749 . 1 1 15 B3D CB C -0.071 3.720 7.177 . . . 1.0 . . . . . . . . . . . . A . 15 B3D CB . . . . . . . . . c30244_5us3 1 . 2 . 750 . 1 1 15 B3D CD C 1.351 2.741 9.055 . . . 1.0 . . . . . . . . . . . . A . 15 B3D CD . . . . . . . . . c30244_5us3 1 . 2 . 751 . 1 1 15 B3D CG C 0.159 3.615 8.699 . . . 1.0 . . . . . . . . . . . . A . 15 B3D CG . . . . . . . . . c30244_5us3 1 . 2 . 752 . 1 1 15 B3D H H 1.296 5.292 6.893 . . . 1.0 . . . . . . . . . . . . A . 15 B3D H . . . . . . . . . c30244_5us3 1 . 2 . 753 . 1 1 15 B3D HA1 H -1.156 5.556 6.960 . . . 1.0 . . . . . . . . . . . . A . 15 B3D HA1 . . . . . . . . . c30244_5us3 1 . 2 . 754 . 1 1 15 B3D HA2 H -2.046 4.292 7.797 . . . 1.0 . . . . . . . . . . . . A . 15 B3D HA2 . . . . . . . . . c30244_5us3 1 . 2 . 755 . 1 1 15 B3D HB H -0.132 2.731 6.678 . . . 1.0 . . . . . . . . . . . . A . 15 B3D HB . . . . . . . . . c30244_5us3 1 . 2 . 756 . 1 1 15 B3D HG2 H -0.720 3.193 9.163 . . . 1.0 . . . . . . . . . . . . A . 15 B3D HG2 . . . . . . . . . c30244_5us3 1 . 2 . 757 . 1 1 15 B3D HG3 H 0.332 4.602 9.100 . . . 1.0 . . . . . . . . . . . . A . 15 B3D HG3 . . . . . . . . . c30244_5us3 1 . 2 . 758 . 1 1 15 B3D N N 1.047 4.400 6.570 . . . 1.0 . . . . . . . . . . . . A . 15 B3D N . . . . . . . . . c30244_5us3 1 . 2 . 759 . 1 1 15 B3D O O -2.595 3.025 5.526 . . . 1.0 . . . . . . . . . . . . A . 15 B3D O . . . . . . . . . c30244_5us3 1 . 2 . 760 . 1 1 15 B3D OE1 O 1.138 1.562 9.410 . . . 1.0 . . . . . . . . . . . . A . 15 B3D OE1 . . . . . . . . . c30244_5us3 1 . 2 . 761 . 1 1 15 B3D OE2 O 2.495 3.237 8.981 . . . 1.0 . . . . . . . . . . . . A . 15 B3D OE2 . . . . . . . . . c30244_5us3 1 . 2 . 762 . 1 1 16 HIS C C -2.109 3.814 2.669 . . . 1.0 . . . . . . . . . . . . A . 16 HIS C . . . . . . . . . c30244_5us3 1 . 2 . 763 . 1 1 16 HIS CA C -2.719 4.974 3.450 . . . 1.0 . . . . . . . . . . . . A . 16 HIS CA . . . . . . . . . c30244_5us3 1 . 2 . 764 . 1 1 16 HIS CB C -2.601 6.269 2.646 . . . 1.0 . . . . . . . . . . . . A . 16 HIS CB . . . . . . . . . c30244_5us3 1 . 2 . 765 . 1 1 16 HIS CD2 C -4.611 7.850 2.212 . . . 1.0 . . . . . . . . . . . . A . 16 HIS CD2 . . . . . . . . . c30244_5us3 1 . 2 . 766 . 1 1 16 HIS CE1 C -4.829 8.658 4.239 . . . 1.0 . . . . . . . . . . . . A . 16 HIS CE1 . . . . . . . . . c30244_5us3 1 . 2 . 767 . 1 1 16 HIS CG C -3.655 7.278 2.983 . . . 1.0 . . . . . . . . . . . . A . 16 HIS CG . . . . . . . . . c30244_5us3 1 . 2 . 768 . 1 1 16 HIS H H -1.649 5.975 4.980 . . . 1.0 . . . . . . . . . . . . A . 16 HIS H . . . . . . . . . c30244_5us3 1 . 2 . 769 . 1 1 16 HIS HA H -3.766 4.763 3.613 . . . 1.0 . . . . . . . . . . . . A . 16 HIS HA . . . . . . . . . c30244_5us3 1 . 2 . 770 . 1 1 16 HIS HB2 H -1.639 6.715 2.838 . . . 1.0 . . . . . . . . . . . . A . 16 HIS HB2 . . . . . . . . . c30244_5us3 1 . 2 . 771 . 1 1 16 HIS HB3 H -2.683 6.040 1.593 . . . 1.0 . . . . . . . . . . . . A . 16 HIS HB3 . . . . . . . . . c30244_5us3 1 . 2 . 772 . 1 1 16 HIS HD1 H -3.275 7.589 5.033 . . . 1.0 . . . . . . . . . . . . A . 16 HIS HD1 . . . . . . . . . c30244_5us3 1 . 2 . 773 . 1 1 16 HIS HD2 H -4.779 7.669 1.160 . . . 1.0 . . . . . . . . . . . . A . 16 HIS HD2 . . . . . . . . . c30244_5us3 1 . 2 . 774 . 1 1 16 HIS HE1 H -5.187 9.223 5.087 . . . 1.0 . . . . . . . . . . . . A . 16 HIS HE1 . . . . . . . . . c30244_5us3 1 . 2 . 775 . 1 1 16 HIS HE2 H -6.137 9.187 2.754 . . . 1.0 . . . . . . . . . . . . A . 16 HIS HE2 . . . . . . . . . c30244_5us3 1 . 2 . 776 . 1 1 16 HIS N N -2.088 5.124 4.767 . . . 1.0 . . . . . . . . . . . . A . 16 HIS N . . . . . . . . . c30244_5us3 1 . 2 . 777 . 1 1 16 HIS ND1 N -3.819 7.807 4.247 . . . 1.0 . . . . . . . . . . . . A . 16 HIS ND1 . . . . . . . . . c30244_5us3 1 . 2 . 778 . 1 1 16 HIS NE2 N -5.326 8.703 3.017 . . . 1.0 . . . . . . . . . . . . A . 16 HIS NE2 . . . . . . . . . c30244_5us3 1 . 2 . 779 . 1 1 16 HIS O O -2.826 3.106 1.965 . . . 1.0 . . . . . . . . . . . . A . 16 HIS O . . . . . . . . . c30244_5us3 1 . 2 . 780 . 1 1 17 LEU C C -0.357 1.208 2.839 . . . 1.0 . . . . . . . . . . . . A . 17 LEU C . . . . . . . . . c30244_5us3 1 . 2 . 781 . 1 1 17 LEU CA C -0.086 2.534 2.131 . . . 1.0 . . . . . . . . . . . . A . 17 LEU CA . . . . . . . . . c30244_5us3 1 . 2 . 782 . 1 1 17 LEU CB C 1.433 2.751 2.055 . . . 1.0 . . . . . . . . . . . . A . 17 LEU CB . . . . . . . . . c30244_5us3 1 . 2 . 783 . 1 1 17 LEU CD1 C 2.156 1.409 0.019 . . . 1.0 . . . . . . . . . . . . A . 17 LEU CD1 . . . . . . . . . c30244_5us3 1 . 2 . 784 . 1 1 17 LEU CD2 C 3.666 1.601 1.997 . . . 1.0 . . . . . . . . . . . . A . 17 LEU CD2 . . . . . . . . . c30244_5us3 1 . 2 . 785 . 1 1 17 LEU CG C 2.233 1.536 1.535 . . . 1.0 . . . . . . . . . . . . A . 17 LEU CG . . . . . . . . . c30244_5us3 1 . 2 . 786 . 1 1 17 LEU H H -0.254 4.285 3.279 . . . 1.0 . . . . . . . . . . . . A . 17 LEU H . . . . . . . . . c30244_5us3 1 . 2 . 787 . 1 1 17 LEU HA H -0.482 2.471 1.128 . . . 1.0 . . . . . . . . . . . . A . 17 LEU HA . . . . . . . . . c30244_5us3 1 . 2 . 788 . 1 1 17 LEU HB2 H 1.632 3.597 1.418 . . . 1.0 . . . . . . . . . . . . A . 17 LEU HB2 . . . . . . . . . c30244_5us3 1 . 2 . 789 . 1 1 17 LEU HB3 H 1.783 2.980 3.046 . . . 1.0 . . . . . . . . . . . . A . 17 LEU HB3 . . . . . . . . . c30244_5us3 1 . 2 . 790 . 1 1 17 LEU HD11 H 2.794 2.150 -0.455 . . . 1.0 . . . . . . . . . . . . A . 17 LEU HD11 . . . . . . . . . c30244_5us3 1 . 2 . 791 . 1 1 17 LEU HD12 H 1.131 1.560 -0.293 . . . 1.0 . . . . . . . . . . . . A . 17 LEU HD12 . . . . . . . . . c30244_5us3 1 . 2 . 792 . 1 1 17 LEU HD13 H 2.471 0.406 -0.281 . . . 1.0 . . . . . . . . . . . . A . 17 LEU HD13 . . . . . . . . . c30244_5us3 1 . 2 . 793 . 1 1 17 LEU HD21 H 3.692 1.681 3.073 . . . 1.0 . . . . . . . . . . . . A . 17 LEU HD21 . . . . . . . . . c30244_5us3 1 . 2 . 794 . 1 1 17 LEU HD22 H 4.148 2.460 1.554 . . . 1.0 . . . . . . . . . . . . A . 17 LEU HD22 . . . . . . . . . c30244_5us3 1 . 2 . 795 . 1 1 17 LEU HD23 H 4.178 0.699 1.689 . . . 1.0 . . . . . . . . . . . . A . 17 LEU HD23 . . . . . . . . . c30244_5us3 1 . 2 . 796 . 1 1 17 LEU HG H 1.798 0.641 1.953 . . . 1.0 . . . . . . . . . . . . A . 17 LEU HG . . . . . . . . . c30244_5us3 1 . 2 . 797 . 1 1 17 LEU N N -0.778 3.638 2.784 . . . 1.0 . . . . . . . . . . . . A . 17 LEU N . . . . . . . . . c30244_5us3 1 . 2 . 798 . 1 1 17 LEU O O -0.384 0.178 2.189 . . . 1.0 . . . . . . . . . . . . A . 17 LEU O . . . . . . . . . c30244_5us3 1 . 2 . 799 . 1 1 18 SER C C -2.071 -0.627 4.425 . . . 1.0 . . . . . . . . . . . . A . 18 SER C . . . . . . . . . c30244_5us3 1 . 2 . 800 . 1 1 18 SER CA C -0.781 0.012 4.940 . . . 1.0 . . . . . . . . . . . . A . 18 SER CA . . . . . . . . . c30244_5us3 1 . 2 . 801 . 1 1 18 SER CB C -0.887 0.308 6.440 . . . 1.0 . . . . . . . . . . . . A . 18 SER CB . . . . . . . . . c30244_5us3 1 . 2 . 802 . 1 1 18 SER H H -0.354 2.077 4.650 . . . 1.0 . . . . . . . . . . . . A . 18 SER H . . . . . . . . . c30244_5us3 1 . 2 . 803 . 1 1 18 SER HA H 0.033 -0.680 4.774 . . . 1.0 . . . . . . . . . . . . A . 18 SER HA . . . . . . . . . c30244_5us3 1 . 2 . 804 . 1 1 18 SER HB2 H -1.625 1.078 6.604 . . . 1.0 . . . . . . . . . . . . A . 18 SER HB2 . . . . . . . . . c30244_5us3 1 . 2 . 805 . 1 1 18 SER HB3 H -1.185 -0.591 6.961 . . . 1.0 . . . . . . . . . . . . A . 18 SER HB3 . . . . . . . . . c30244_5us3 1 . 2 . 806 . 1 1 18 SER HG H 0.763 0.030 7.458 . . . 1.0 . . . . . . . . . . . . A . 18 SER HG . . . . . . . . . c30244_5us3 1 . 2 . 807 . 1 1 18 SER N N -0.489 1.232 4.174 . . . 1.0 . . . . . . . . . . . . A . 18 SER N . . . . . . . . . c30244_5us3 1 . 2 . 808 . 1 1 18 SER O O -2.063 -1.775 3.972 . . . 1.0 . . . . . . . . . . . . A . 18 SER O . . . . . . . . . c30244_5us3 1 . 2 . 809 . 1 1 18 SER OG O 0.356 0.743 6.961 . . . 1.0 . . . . . . . . . . . . A . 18 SER OG . . . . . . . . . c30244_5us3 1 . 2 . 810 . 1 1 19 B3K C C -4.293 -0.032 1.420 . . . 1.0 . . . . . . . . . . . . A . 19 B3K C . . . . . . . . . c30244_5us3 1 . 2 . 811 . 1 1 19 B3K CA C -4.866 0.463 2.725 . . . 1.0 . . . . . . . . . . . . A . 19 B3K CA . . . . . . . . . c30244_5us3 1 . 2 . 812 . 1 1 19 B3K CB C -4.425 -0.337 3.955 . . . 1.0 . . . . . . . . . . . . A . 19 B3K CB . . . . . . . . . c30244_5us3 1 . 2 . 813 . 1 1 19 B3K CD C -5.320 -1.012 6.274 . . . 1.0 . . . . . . . . . . . . A . 19 B3K CD . . . . . . . . . c30244_5us3 1 . 2 . 814 . 1 1 19 B3K CE C -6.406 -0.755 7.308 . . . 1.0 . . . . . . . . . . . . A . 19 B3K CE . . . . . . . . . c30244_5us3 1 . 2 . 815 . 1 1 19 B3K CF C -6.234 -1.634 8.540 . . . 1.0 . . . . . . . . . . . . A . 19 B3K CF . . . . . . . . . c30244_5us3 1 . 2 . 816 . 1 1 19 B3K CG C -5.506 -0.137 5.040 . . . 1.0 . . . . . . . . . . . . A . 19 B3K CG . . . . . . . . . c30244_5us3 1 . 2 . 817 . 1 1 19 B3K H H -3.095 1.070 4.799 . . . 1.0 . . . . . . . . . . . . A . 19 B3K H . . . . . . . . . c30244_5us3 1 . 2 . 818 . 1 1 19 B3K HA1 H -5.942 0.424 2.650 . . . 1.0 . . . . . . . . . . . . A . 19 B3K HA1 . . . . . . . . . c30244_5us3 1 . 2 . 819 . 1 1 19 B3K HA2 H -4.562 1.490 2.854 . . . 1.0 . . . . . . . . . . . . A . 19 B3K HA2 . . . . . . . . . c30244_5us3 1 . 2 . 820 . 1 1 19 B3K HB H -4.263 -1.403 3.687 . . . 1.0 . . . . . . . . . . . . A . 19 B3K HB . . . . . . . . . c30244_5us3 1 . 2 . 821 . 1 1 19 B3K HD2 H -4.357 -0.796 6.714 . . . 1.0 . . . . . . . . . . . . A . 19 B3K HD2 . . . . . . . . . c30244_5us3 1 . 2 . 822 . 1 1 19 B3K HD3 H -5.357 -2.049 5.977 . . . 1.0 . . . . . . . . . . . . A . 19 B3K HD3 . . . . . . . . . c30244_5us3 1 . 2 . 823 . 1 1 19 B3K HE2 H -7.368 -0.961 6.862 . . . 1.0 . . . . . . . . . . . . A . 19 B3K HE2 . . . . . . . . . c30244_5us3 1 . 2 . 824 . 1 1 19 B3K HE3 H -6.363 0.280 7.611 . . . 1.0 . . . . . . . . . . . . A . 19 B3K HE3 . . . . . . . . . c30244_5us3 1 . 2 . 825 . 1 1 19 B3K HF1 H -6.059 -2.650 8.217 . . . 1.0 . . . . . . . . . . . . A . 19 B3K HF1 . . . . . . . . . c30244_5us3 1 . 2 . 826 . 1 1 19 B3K HF2 H -7.140 -1.594 9.124 . . . 1.0 . . . . . . . . . . . . A . 19 B3K HF2 . . . . . . . . . c30244_5us3 1 . 2 . 827 . 1 1 19 B3K HG2 H -6.473 -0.363 4.615 . . . 1.0 . . . . . . . . . . . . A . 19 B3K HG2 . . . . . . . . . c30244_5us3 1 . 2 . 828 . 1 1 19 B3K HG3 H -5.496 0.895 5.356 . . . 1.0 . . . . . . . . . . . . A . 19 B3K HG3 . . . . . . . . . c30244_5us3 1 . 2 . 829 . 1 1 19 B3K HNZ1 H -4.205 -1.232 8.848 . . . 1.0 . . . . . . . . . . . . A . 19 B3K HNZ1 . . . . . . . . . c30244_5us3 1 . 2 . 830 . 1 1 19 B3K HNZ2 H -5.003 -1.814 10.221 . . . 1.0 . . . . . . . . . . . . A . 19 B3K HNZ2 . . . . . . . . . c30244_5us3 1 . 2 . 831 . 1 1 19 B3K N N -3.161 0.147 4.443 . . . 1.0 . . . . . . . . . . . . A . 19 B3K N . . . . . . . . . c30244_5us3 1 . 2 . 832 . 1 1 19 B3K NZ N -5.091 -1.193 9.391 . . . 1.0 . . . . . . . . . . . . A . 19 B3K NZ . . . . . . . . . c30244_5us3 1 . 2 . 833 . 1 1 19 B3K O O -4.730 -1.058 0.873 . . . 1.0 . . . . . . . . . . . . A . 19 B3K O . . . . . . . . . c30244_5us3 1 . 2 . 834 . 1 1 20 HIS C C -2.076 -1.052 -0.454 . . . 1.0 . . . . . . . . . . . . A . 20 HIS C . . . . . . . . . c30244_5us3 1 . 2 . 835 . 1 1 20 HIS CA C -2.595 0.391 -0.324 . . . 1.0 . . . . . . . . . . . . A . 20 HIS CA . . . . . . . . . c30244_5us3 1 . 2 . 836 . 1 1 20 HIS CB C -1.444 1.348 -0.510 . . . 1.0 . . . . . . . . . . . . A . 20 HIS CB . . . . . . . . . c30244_5us3 1 . 2 . 837 . 1 1 20 HIS CD2 C 0.250 0.305 -2.091 . . . 1.0 . . . . . . . . . . . . A . 20 HIS CD2 . . . . . . . . . c30244_5us3 1 . 2 . 838 . 1 1 20 HIS CE1 C -0.409 1.165 -3.946 . . . 1.0 . . . . . . . . . . . . A . 20 HIS CE1 . . . . . . . . . c30244_5us3 1 . 2 . 839 . 1 1 20 HIS CG C -0.766 1.131 -1.801 . . . 1.0 . . . . . . . . . . . . A . 20 HIS CG . . . . . . . . . c30244_5us3 1 . 2 . 840 . 1 1 20 HIS H H -2.869 1.388 1.500 . . . 1.0 . . . . . . . . . . . . A . 20 HIS H . . . . . . . . . c30244_5us3 1 . 2 . 841 . 1 1 20 HIS HA H -3.285 0.595 -1.106 . . . 1.0 . . . . . . . . . . . . A . 20 HIS HA . . . . . . . . . c30244_5us3 1 . 2 . 842 . 1 1 20 HIS HB2 H -1.806 2.367 -0.474 . . . 1.0 . . . . . . . . . . . . A . 20 HIS HB2 . . . . . . . . . c30244_5us3 1 . 2 . 843 . 1 1 20 HIS HB3 H -0.731 1.180 0.276 . . . 1.0 . . . . . . . . . . . . A . 20 HIS HB3 . . . . . . . . . c30244_5us3 1 . 2 . 844 . 1 1 20 HIS HD1 H -1.896 2.335 -3.109 . . . 1.0 . . . . . . . . . . . . A . 20 HIS HD1 . . . . . . . . . c30244_5us3 1 . 2 . 845 . 1 1 20 HIS HD2 H 0.765 -0.353 -1.386 . . . 1.0 . . . . . . . . . . . . A . 20 HIS HD2 . . . . . . . . . c30244_5us3 1 . 2 . 846 . 1 1 20 HIS HE1 H -0.547 1.337 -4.993 . . . 1.0 . . . . . . . . . . . . A . 20 HIS HE1 . . . . . . . . . c30244_5us3 1 . 2 . 847 . 1 1 20 HIS N N -3.247 0.671 0.948 . . . 1.0 . . . . . . . . . . . . A . 20 HIS N . . . . . . . . . c30244_5us3 1 . 2 . 848 . 1 1 20 HIS ND1 N -1.175 1.683 -2.988 . . . 1.0 . . . . . . . . . . . . A . 20 HIS ND1 . . . . . . . . . c30244_5us3 1 . 2 . 849 . 1 1 20 HIS NE2 N 0.474 0.336 -3.437 . . . 1.0 . . . . . . . . . . . . A . 20 HIS NE2 . . . . . . . . . c30244_5us3 1 . 2 . 850 . 1 1 20 HIS O O -2.168 -1.669 -1.516 . . . 1.0 . . . . . . . . . . . . A . 20 HIS O . . . . . . . . . c30244_5us3 1 . 2 . 851 . 1 1 21 ILE C C -1.836 -3.909 1.243 . . . 1.0 . . . . . . . . . . . . A . 21 ILE C . . . . . . . . . c30244_5us3 1 . 2 . 852 . 1 1 21 ILE CA C -0.911 -2.876 0.600 . . . 1.0 . . . . . . . . . . . . A . 21 ILE CA . . . . . . . . . c30244_5us3 1 . 2 . 853 . 1 1 21 ILE CB C 0.525 -2.882 1.195 . . . 1.0 . . . . . . . . . . . . A . 21 ILE CB . . . . . . . . . c30244_5us3 1 . 2 . 854 . 1 1 21 ILE CD1 C 0.675 -3.956 3.512 . . . 1.0 . . . . . . . . . . . . A . 21 ILE CD1 . . . . . . . . . c30244_5us3 1 . 2 . 855 . 1 1 21 ILE CG1 C 0.561 -2.670 2.720 . . . 1.0 . . . . . . . . . . . . A . 21 ILE CG1 . . . . . . . . . c30244_5us3 1 . 2 . 856 . 1 1 21 ILE CG2 C 1.370 -1.855 0.501 . . . 1.0 . . . . . . . . . . . . A . 21 ILE CG2 . . . . . . . . . c30244_5us3 1 . 2 . 857 . 1 1 21 ILE H H -1.411 -1.012 1.407 . . . 1.0 . . . . . . . . . . . . A . 21 ILE H . . . . . . . . . c30244_5us3 1 . 2 . 858 . 1 1 21 ILE HA H -0.821 -3.141 -0.438 . . . 1.0 . . . . . . . . . . . . A . 21 ILE HA . . . . . . . . . c30244_5us3 1 . 2 . 859 . 1 1 21 ILE HB H 0.962 -3.802 0.950 . . . 1.0 . . . . . . . . . . . . A . 21 ILE HB . . . . . . . . . c30244_5us3 1 . 2 . 860 . 1 1 21 ILE HD11 H 1.584 -4.471 3.233 . . . 1.0 . . . . . . . . . . . . A . 21 ILE HD11 . . . . . . . . . c30244_5us3 1 . 2 . 861 . 1 1 21 ILE HD12 H -0.176 -4.587 3.299 . . . 1.0 . . . . . . . . . . . . A . 21 ILE HD12 . . . . . . . . . c30244_5us3 1 . 2 . 862 . 1 1 21 ILE HD13 H 0.700 -3.729 4.567 . . . 1.0 . . . . . . . . . . . . A . 21 ILE HD13 . . . . . . . . . c30244_5us3 1 . 2 . 863 . 1 1 21 ILE HG12 H 1.409 -2.052 2.971 . . . 1.0 . . . . . . . . . . . . A . 21 ILE HG12 . . . . . . . . . c30244_5us3 1 . 2 . 864 . 1 1 21 ILE HG13 H -0.346 -2.171 3.027 . . . 1.0 . . . . . . . . . . . . A . 21 ILE HG13 . . . . . . . . . c30244_5us3 1 . 2 . 865 . 1 1 21 ILE HG21 H 0.862 -0.907 0.537 . . . 1.0 . . . . . . . . . . . . A . 21 ILE HG21 . . . . . . . . . c30244_5us3 1 . 2 . 866 . 1 1 21 ILE HG22 H 1.511 -2.162 -0.525 . . . 1.0 . . . . . . . . . . . . A . 21 ILE HG22 . . . . . . . . . c30244_5us3 1 . 2 . 867 . 1 1 21 ILE HG23 H 2.324 -1.779 0.994 . . . 1.0 . . . . . . . . . . . . A . 21 ILE HG23 . . . . . . . . . c30244_5us3 1 . 2 . 868 . 1 1 21 ILE N N -1.483 -1.551 0.609 . . . 1.0 . . . . . . . . . . . . A . 21 ILE N . . . . . . . . . c30244_5us3 1 . 2 . 869 . 1 1 21 ILE O O -1.600 -5.111 1.129 . . . 1.0 . . . . . . . . . . . . A . 21 ILE O . . . . . . . . . c30244_5us3 1 . 2 . 870 . 1 1 22 B3K C C -5.400 -4.079 0.470 . . . 1.0 . . . . . . . . . . . . A . 22 B3K C . . . . . . . . . c30244_5us3 1 . 2 . 871 . 1 1 22 B3K CA C -5.233 -3.894 1.971 . . . 1.0 . . . . . . . . . . . . A . 22 B3K CA . . . . . . . . . c30244_5us3 1 . 2 . 872 . 1 1 22 B3K CB C -3.848 -4.267 2.529 . . . 1.0 . . . . . . . . . . . . A . 22 B3K CB . . . . . . . . . c30244_5us3 1 . 2 . 873 . 1 1 22 B3K CD C -3.731 -5.315 4.862 . . . 1.0 . . . . . . . . . . . . A . 22 B3K CD . . . . . . . . . c30244_5us3 1 . 2 . 874 . 1 1 22 B3K CE C -3.729 -5.031 6.356 . . . 1.0 . . . . . . . . . . . . A . 22 B3K CE . . . . . . . . . c30244_5us3 1 . 2 . 875 . 1 1 22 B3K CF C -3.525 -6.301 7.164 . . . 1.0 . . . . . . . . . . . . A . 22 B3K CF . . . . . . . . . c30244_5us3 1 . 2 . 876 . 1 1 22 B3K CG C -3.898 -4.040 4.052 . . . 1.0 . . . . . . . . . . . . A . 22 B3K CG . . . . . . . . . c30244_5us3 1 . 2 . 877 . 1 1 22 B3K H H -2.890 -2.454 2.132 . . . 1.0 . . . . . . . . . . . . A . 22 B3K H . . . . . . . . . c30244_5us3 1 . 2 . 878 . 1 1 22 B3K HA1 H -5.427 -2.856 2.198 . . . 1.0 . . . . . . . . . . . . A . 22 B3K HA1 . . . . . . . . . c30244_5us3 1 . 2 . 879 . 1 1 22 B3K HA2 H -5.977 -4.502 2.464 . . . 1.0 . . . . . . . . . . . . A . 22 B3K HA2 . . . . . . . . . c30244_5us3 1 . 2 . 880 . 1 1 22 B3K HB H -3.574 -5.307 2.247 . . . 1.0 . . . . . . . . . . . . A . 22 B3K HB . . . . . . . . . c30244_5us3 1 . 2 . 881 . 1 1 22 B3K HD2 H -2.794 -5.781 4.593 . . . 1.0 . . . . . . . . . . . . A . 22 B3K HD2 . . . . . . . . . c30244_5us3 1 . 2 . 882 . 1 1 22 B3K HD3 H -4.546 -5.985 4.635 . . . 1.0 . . . . . . . . . . . . A . 22 B3K HD3 . . . . . . . . . c30244_5us3 1 . 2 . 883 . 1 1 22 B3K HE2 H -4.676 -4.590 6.629 . . . 1.0 . . . . . . . . . . . . A . 22 B3K HE2 . . . . . . . . . c30244_5us3 1 . 2 . 884 . 1 1 22 B3K HE3 H -2.930 -4.341 6.580 . . . 1.0 . . . . . . . . . . . . A . 22 B3K HE3 . . . . . . . . . c30244_5us3 1 . 2 . 885 . 1 1 22 B3K HF1 H -2.586 -6.750 6.875 . . . 1.0 . . . . . . . . . . . . A . 22 B3K HF1 . . . . . . . . . c30244_5us3 1 . 2 . 886 . 1 1 22 B3K HF2 H -4.332 -6.985 6.948 . . . 1.0 . . . . . . . . . . . . A . 22 B3K HF2 . . . . . . . . . c30244_5us3 1 . 2 . 887 . 1 1 22 B3K HG2 H -4.849 -3.599 4.309 . . . 1.0 . . . . . . . . . . . . A . 22 B3K HG2 . . . . . . . . . c30244_5us3 1 . 2 . 888 . 1 1 22 B3K HG3 H -3.107 -3.357 4.329 . . . 1.0 . . . . . . . . . . . . A . 22 B3K HG3 . . . . . . . . . c30244_5us3 1 . 2 . 889 . 1 1 22 B3K HNZ1 H -2.728 -5.373 8.857 . . . 1.0 . . . . . . . . . . . . A . 22 B3K HNZ1 . . . . . . . . . c30244_5us3 1 . 2 . 890 . 1 1 22 B3K HNZ2 H -3.354 -6.915 9.154 . . . 1.0 . . . . . . . . . . . . A . 22 B3K HNZ2 . . . . . . . . . c30244_5us3 1 . 2 . 891 . 1 1 22 B3K N N -2.851 -3.421 1.956 . . . 1.0 . . . . . . . . . . . . A . 22 B3K N . . . . . . . . . c30244_5us3 1 . 2 . 892 . 1 1 22 B3K NZ N -3.501 -6.030 8.628 . . . 1.0 . . . . . . . . . . . . A . 22 B3K NZ . . . . . . . . . c30244_5us3 1 . 2 . 893 . 1 1 22 B3K O O -6.293 -4.828 0.038 . . . 1.0 . . . . . . . . . . . . A . 22 B3K O . . . . . . . . . c30244_5us3 1 . 2 . 894 . 1 1 23 THR C C -3.653 -4.554 -2.337 . . . 1.0 . . . . . . . . . . . . A . 23 THR C . . . . . . . . . c30244_5us3 1 . 2 . 895 . 1 1 23 THR CA C -4.638 -3.526 -1.807 . . . 1.0 . . . . . . . . . . . . A . 23 THR CA . . . . . . . . . c30244_5us3 1 . 2 . 896 . 1 1 23 THR CB C -4.463 -2.164 -2.538 . . . 1.0 . . . . . . . . . . . . A . 23 THR CB . . . . . . . . . c30244_5us3 1 . 2 . 897 . 1 1 23 THR CG2 C -5.095 -2.203 -3.923 . . . 1.0 . . . . . . . . . . . . A . 23 THR CG2 . . . . . . . . . c30244_5us3 1 . 2 . 898 . 1 1 23 THR H H -3.779 -2.904 0.050 . . . 1.0 . . . . . . . . . . . . A . 23 THR H . . . . . . . . . c30244_5us3 1 . 2 . 899 . 1 1 23 THR HA H -5.630 -3.893 -2.016 . . . 1.0 . . . . . . . . . . . . A . 23 THR HA . . . . . . . . . c30244_5us3 1 . 2 . 900 . 1 1 23 THR HB H -3.402 -1.947 -2.650 . . . 1.0 . . . . . . . . . . . . A . 23 THR HB . . . . . . . . . c30244_5us3 1 . 2 . 901 . 1 1 23 THR HG1 H -4.633 -0.284 -1.962 . . . 1.0 . . . . . . . . . . . . A . 23 THR HG1 . . . . . . . . . c30244_5us3 1 . 2 . 902 . 1 1 23 THR HG21 H -4.670 -3.022 -4.484 . . . 1.0 . . . . . . . . . . . . A . 23 THR HG21 . . . . . . . . . c30244_5us3 1 . 2 . 903 . 1 1 23 THR HG22 H -4.898 -1.273 -4.434 . . . 1.0 . . . . . . . . . . . . A . 23 THR HG22 . . . . . . . . . c30244_5us3 1 . 2 . 904 . 1 1 23 THR HG23 H -6.161 -2.345 -3.828 . . . 1.0 . . . . . . . . . . . . A . 23 THR HG23 . . . . . . . . . c30244_5us3 1 . 2 . 905 . 1 1 23 THR N N -4.530 -3.424 -0.345 . . . 1.0 . . . . . . . . . . . . A . 23 THR N . . . . . . . . . c30244_5us3 1 . 2 . 906 . 1 1 23 THR O O -4.025 -5.388 -3.170 . . . 1.0 . . . . . . . . . . . . A . 23 THR O . . . . . . . . . c30244_5us3 1 . 2 . 907 . 1 1 23 THR OG1 O -5.076 -1.115 -1.777 . . . 1.0 . . . . . . . . . . . . A . 23 THR OG1 . . . . . . . . . c30244_5us3 1 . 2 . 908 . 1 1 24 HIS C C -1.830 -6.863 -1.776 . . . 1.0 . . . . . . . . . . . . A . 24 HIS C . . . . . . . . . c30244_5us3 1 . 2 . 909 . 1 1 24 HIS CA C -1.390 -5.503 -2.260 . . . 1.0 . . . . . . . . . . . . A . 24 HIS CA . . . . . . . . . c30244_5us3 1 . 2 . 910 . 1 1 24 HIS CB C -0.015 -5.171 -1.703 . . . 1.0 . . . . . . . . . . . . A . 24 HIS CB . . . . . . . . . c30244_5us3 1 . 2 . 911 . 1 1 24 HIS CD2 C 0.622 -2.891 -2.719 . . . 1.0 . . . . . . . . . . . . A . 24 HIS CD2 . . . . . . . . . c30244_5us3 1 . 2 . 912 . 1 1 24 HIS CE1 C 2.173 -3.503 -4.068 . . . 1.0 . . . . . . . . . . . . A . 24 HIS CE1 . . . . . . . . . c30244_5us3 1 . 2 . 913 . 1 1 24 HIS CG C 0.760 -4.227 -2.557 . . . 1.0 . . . . . . . . . . . . A . 24 HIS CG . . . . . . . . . c30244_5us3 1 . 2 . 914 . 1 1 24 HIS H H -2.138 -3.760 -1.268 . . . 1.0 . . . . . . . . . . . . A . 24 HIS H . . . . . . . . . c30244_5us3 1 . 2 . 915 . 1 1 24 HIS HA H -1.377 -5.517 -3.309 . . . 1.0 . . . . . . . . . . . . A . 24 HIS HA . . . . . . . . . c30244_5us3 1 . 2 . 916 . 1 1 24 HIS HB2 H -0.149 -4.717 -0.732 . . . 1.0 . . . . . . . . . . . . A . 24 HIS HB2 . . . . . . . . . c30244_5us3 1 . 2 . 917 . 1 1 24 HIS HB3 H 0.556 -6.080 -1.596 . . . 1.0 . . . . . . . . . . . . A . 24 HIS HB3 . . . . . . . . . c30244_5us3 1 . 2 . 918 . 1 1 24 HIS HD1 H 2.155 -5.498 -3.527 . . . 1.0 . . . . . . . . . . . . A . 24 HIS HD1 . . . . . . . . . c30244_5us3 1 . 2 . 919 . 1 1 24 HIS HD2 H 0.032 -2.218 -2.104 . . . 1.0 . . . . . . . . . . . . A . 24 HIS HD2 . . . . . . . . . c30244_5us3 1 . 2 . 920 . 1 1 24 HIS HE1 H 3.004 -3.431 -4.751 . . . 1.0 . . . . . . . . . . . . A . 24 HIS HE1 . . . . . . . . . c30244_5us3 1 . 2 . 921 . 1 1 24 HIS N N -2.396 -4.499 -1.865 . . . 1.0 . . . . . . . . . . . . A . 24 HIS N . . . . . . . . . c30244_5us3 1 . 2 . 922 . 1 1 24 HIS ND1 N 1.771 -4.604 -3.428 . . . 1.0 . . . . . . . . . . . . A . 24 HIS ND1 . . . . . . . . . c30244_5us3 1 . 2 . 923 . 1 1 24 HIS NE2 N 1.505 -2.481 -3.686 . . . 1.0 . . . . . . . . . . . . A . 24 HIS NE2 . . . . . . . . . c30244_5us3 1 . 2 . 924 . 1 1 24 HIS O O -1.511 -7.911 -2.345 . . . 1.0 . . . . . . . . . . . . A . 24 HIS O . . . . . . . . . c30244_5us3 1 . 2 . 925 . 1 1 25 . C C -5.722 -8.341 -0.204 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q C . . . . . . . . . c30244_5us3 1 . 2 . 926 . 1 1 25 . CA C -4.619 -7.357 0.114 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q CA . . . . . . . . . c30244_5us3 1 . 2 . 927 . 1 1 25 . CB C -3.213 -7.871 -0.064 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q CB . . . . . . . . . c30244_5us3 1 . 2 . 928 . 1 1 25 . CD C -1.183 -8.803 1.202 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q CD . . . . . . . . . c30244_5us3 1 . 2 . 929 . 1 1 25 . CE C -0.117 -7.862 1.734 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q CE . . . . . . . . . c30244_5us3 1 . 2 . 930 . 1 1 25 . CG C -2.585 -8.209 1.297 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q CG . . . . . . . . . c30244_5us3 1 . 2 . 931 . 1 1 25 . H11 H 0.104 -7.053 -0.069 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q H11 . . . . . . . . . c30244_5us3 1 . 2 . 932 . 1 1 25 . H12 H 1.111 -6.401 1.175 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q H12 . . . . . . . . . c30244_5us3 1 . 2 . 933 . 1 1 25 . H8 H -0.967 -9.019 0.167 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q H8 . . . . . . . . . c30244_5us3 1 . 2 . 934 . 1 1 25 . H9 H -1.150 -9.718 1.776 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q H9 . . . . . . . . . c30244_5us3 1 . 2 . 935 . 1 1 25 . HA H -4.743 -7.011 1.126 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q HA . . . . . . . . . c30244_5us3 1 . 2 . 936 . 1 1 25 . HAA H -4.713 -6.508 -0.571 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q HAA . . . . . . . . . c30244_5us3 1 . 2 . 937 . 1 1 25 . HB H -3.202 -8.728 -0.730 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q HB . . . . . . . . . c30244_5us3 1 . 2 . 938 . 1 1 25 . HG H -3.222 -8.918 1.805 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q HG . . . . . . . . . c30244_5us3 1 . 2 . 939 . 1 1 25 . HGA H -2.528 -7.306 1.885 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q HGA . . . . . . . . . c30244_5us3 1 . 2 . 940 . 1 1 25 . HN H -2.701 -5.861 -0.332 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q HN . . . . . . . . . c30244_5us3 1 . 2 . 941 . 1 1 25 . N N -2.567 -6.771 -0.708 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q N . . . . . . . . . c30244_5us3 1 . 2 . 942 . 1 1 25 . NF2 N 0.420 -7.021 0.858 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q NF2 . . . . . . . . . c30244_5us3 1 . 2 . 943 . 1 1 25 . O O -5.528 -9.563 -0.188 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q O . . . . . . . . . c30244_5us3 1 . 2 . 944 . 1 1 25 . OF1 O 0.217 -7.891 2.918 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q OF1 . . . . . . . . . c30244_5us3 1 . 2 . 945 . 1 1 26 ASN C C -8.268 -8.654 -2.337 . . . 1.0 . . . . . . . . . . . . A . 26 ASN C . . . . . . . . . c30244_5us3 1 . 2 . 946 . 1 1 26 ASN CA C -8.089 -8.561 -0.824 . . . 1.0 . . . . . . . . . . . . A . 26 ASN CA . . . . . . . . . c30244_5us3 1 . 2 . 947 . 1 1 26 ASN CB C -9.340 -7.942 -0.190 . . . 1.0 . . . . . . . . . . . . A . 26 ASN CB . . . . . . . . . c30244_5us3 1 . 2 . 948 . 1 1 26 ASN CG C -9.370 -8.102 1.320 . . . 1.0 . . . . . . . . . . . . A . 26 ASN CG . . . . . . . . . c30244_5us3 1 . 2 . 949 . 1 1 26 ASN H H -6.968 -6.789 -0.458 . . . 1.0 . . . . . . . . . . . . A . 26 ASN H . . . . . . . . . c30244_5us3 1 . 2 . 950 . 1 1 26 ASN HA H -7.951 -9.556 -0.428 . . . 1.0 . . . . . . . . . . . . A . 26 ASN HA . . . . . . . . . c30244_5us3 1 . 2 . 951 . 1 1 26 ASN HB2 H -9.368 -6.888 -0.421 . . . 1.0 . . . . . . . . . . . . A . 26 ASN HB2 . . . . . . . . . c30244_5us3 1 . 2 . 952 . 1 1 26 ASN HB3 H -10.217 -8.420 -0.601 . . . 1.0 . . . . . . . . . . . . A . 26 ASN HB3 . . . . . . . . . c30244_5us3 1 . 2 . 953 . 1 1 26 ASN HD21 H -10.330 -9.834 1.143 . . . 1.0 . . . . . . . . . . . . A . 26 ASN HD21 . . . . . . . . . c30244_5us3 1 . 2 . 954 . 1 1 26 ASN HD22 H -9.989 -9.326 2.759 . . . 1.0 . . . . . . . . . . . . A . 26 ASN HD22 . . . . . . . . . c30244_5us3 1 . 2 . 955 . 1 1 26 ASN N N -6.900 -7.775 -0.486 . . . 1.0 . . . . . . . . . . . . A . 26 ASN N . . . . . . . . . c30244_5us3 1 . 2 . 956 . 1 1 26 ASN ND2 N -9.956 -9.198 1.788 . . . 1.0 . . . . . . . . . . . . A . 26 ASN ND2 . . . . . . . . . c30244_5us3 1 . 2 . 957 . 1 1 26 ASN O O -7.905 -7.728 -3.069 . . . 1.0 . . . . . . . . . . . . A . 26 ASN O . . . . . . . . . c30244_5us3 1 . 2 . 958 . 1 1 26 ASN OD1 O -8.872 -7.249 2.056 . . . 1.0 . . . . . . . . . . . . A . 26 ASN OD1 . . . . . . . . . c30244_5us3 1 . 2 . 959 . 1 1 27 LYS C C -10.514 -9.700 -4.584 . . . 1.0 . . . . . . . . . . . . A . 27 LYS C . . . . . . . . . c30244_5us3 1 . 2 . 960 . 1 1 27 LYS CA C -9.064 -10.016 -4.216 . . . 1.0 . . . . . . . . . . . . A . 27 LYS CA . . . . . . . . . c30244_5us3 1 . 2 . 961 . 1 1 27 LYS CB C -8.729 -11.469 -4.572 . . . 1.0 . . . . . . . . . . . . A . 27 LYS CB . . . . . . . . . c30244_5us3 1 . 2 . 962 . 1 1 27 LYS CD C -7.889 -13.113 -6.281 . . . 1.0 . . . . . . . . . . . . A . 27 LYS CD . . . . . . . . . c30244_5us3 1 . 2 . 963 . 1 1 27 LYS CE C -7.364 -13.298 -7.696 . . . 1.0 . . . . . . . . . . . . A . 27 LYS CE . . . . . . . . . c30244_5us3 1 . 2 . 964 . 1 1 27 LYS CG C -8.214 -11.656 -5.994 . . . 1.0 . . . . . . . . . . . . A . 27 LYS CG . . . . . . . . . c30244_5us3 1 . 2 . 965 . 1 1 27 LYS H H -9.093 -10.470 -2.148 . . . 1.0 . . . . . . . . . . . . A . 27 LYS H . . . . . . . . . c30244_5us3 1 . 2 . 966 . 1 1 27 LYS HA H -8.412 -9.358 -4.773 . . . 1.0 . . . . . . . . . . . . A . 27 LYS HA . . . . . . . . . c30244_5us3 1 . 2 . 967 . 1 1 27 LYS HB2 H -7.972 -11.828 -3.890 . . . 1.0 . . . . . . . . . . . . A . 27 LYS HB2 . . . . . . . . . c30244_5us3 1 . 2 . 968 . 1 1 27 LYS HB3 H -9.619 -12.069 -4.454 . . . 1.0 . . . . . . . . . . . . A . 27 LYS HB3 . . . . . . . . . c30244_5us3 1 . 2 . 969 . 1 1 27 LYS HD2 H -7.137 -13.449 -5.583 . . . 1.0 . . . . . . . . . . . . A . 27 LYS HD2 . . . . . . . . . c30244_5us3 1 . 2 . 970 . 1 1 27 LYS HD3 H -8.786 -13.702 -6.160 . . . 1.0 . . . . . . . . . . . . A . 27 LYS HD3 . . . . . . . . . c30244_5us3 1 . 2 . 971 . 1 1 27 LYS HE2 H -8.116 -12.960 -8.393 . . . 1.0 . . . . . . . . . . . . A . 27 LYS HE2 . . . . . . . . . c30244_5us3 1 . 2 . 972 . 1 1 27 LYS HE3 H -6.471 -12.702 -7.815 . . . 1.0 . . . . . . . . . . . . A . 27 LYS HE3 . . . . . . . . . c30244_5us3 1 . 2 . 973 . 1 1 27 LYS HG2 H -8.970 -11.323 -6.687 . . . 1.0 . . . . . . . . . . . . A . 27 LYS HG2 . . . . . . . . . c30244_5us3 1 . 2 . 974 . 1 1 27 LYS HG3 H -7.319 -11.065 -6.122 . . . 1.0 . . . . . . . . . . . . A . 27 LYS HG3 . . . . . . . . . c30244_5us3 1 . 2 . 975 . 1 1 27 LYS HZ1 H -6.311 -15.065 -7.327 . . . 1.0 . . . . . . . . . . . . A . 27 LYS HZ1 . . . . . . . . . c30244_5us3 1 . 2 . 976 . 1 1 27 LYS HZ2 H -6.681 -14.815 -8.959 . . . 1.0 . . . . . . . . . . . . A . 27 LYS HZ2 . . . . . . . . . c30244_5us3 1 . 2 . 977 . 1 1 27 LYS HZ3 H -7.890 -15.310 -7.886 . . . 1.0 . . . . . . . . . . . . A . 27 LYS HZ3 . . . . . . . . . c30244_5us3 1 . 2 . 978 . 1 1 27 LYS N N -8.828 -9.779 -2.791 . . . 1.0 . . . . . . . . . . . . A . 27 LYS N . . . . . . . . . c30244_5us3 1 . 2 . 979 . 1 1 27 LYS NZ N -7.039 -14.721 -7.987 . . . 1.0 . . . . . . . . . . . . A . 27 LYS NZ . . . . . . . . . c30244_5us3 1 . 2 . 980 . 1 1 27 LYS O O -11.435 -10.003 -3.821 . . . 1.0 . . . . . . . . . . . . A . 27 LYS O . . . . . . . . . c30244_5us3 1 . 2 . 981 . 1 1 28 LYS C C -12.541 -9.751 -7.265 . . . 1.0 . . . . . . . . . . . . A . 28 LYS C . . . . . . . . . c30244_5us3 1 . 2 . 982 . 1 1 28 LYS CA C -12.028 -8.724 -6.252 . . . 1.0 . . . . . . . . . . . . A . 28 LYS CA . . . . . . . . . c30244_5us3 1 . 2 . 983 . 1 1 28 LYS CB C -12.005 -7.318 -6.881 . . . 1.0 . . . . . . . . . . . . A . 28 LYS CB . . . . . . . . . c30244_5us3 1 . 2 . 984 . 1 1 28 LYS CD C -10.379 -5.908 -5.553 . . . 1.0 . . . . . . . . . . . . A . 28 LYS CD . . . . . . . . . c30244_5us3 1 . 2 . 985 . 1 1 28 LYS CE C -10.221 -4.767 -4.555 . . . 1.0 . . . . . . . . . . . . A . 28 LYS CE . . . . . . . . . c30244_5us3 1 . 2 . 986 . 1 1 28 LYS CG C -11.845 -6.180 -5.875 . . . 1.0 . . . . . . . . . . . . A . 28 LYS CG . . . . . . . . . c30244_5us3 1 . 2 . 987 . 1 1 28 LYS H H -9.915 -8.883 -6.313 . . . 1.0 . . . . . . . . . . . . A . 28 LYS H . . . . . . . . . c30244_5us3 1 . 2 . 988 . 1 1 28 LYS HA H -12.697 -8.716 -5.405 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HA . . . . . . . . . c30244_5us3 1 . 2 . 989 . 1 1 28 LYS HB2 H -11.185 -7.266 -7.580 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HB2 . . . . . . . . . c30244_5us3 1 . 2 . 990 . 1 1 28 LYS HB3 H -12.931 -7.167 -7.418 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HB3 . . . . . . . . . c30244_5us3 1 . 2 . 991 . 1 1 28 LYS HD2 H -9.941 -6.800 -5.133 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HD2 . . . . . . . . . c30244_5us3 1 . 2 . 992 . 1 1 28 LYS HD3 H -9.862 -5.647 -6.466 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HD3 . . . . . . . . . c30244_5us3 1 . 2 . 993 . 1 1 28 LYS HE2 H -10.909 -4.925 -3.738 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HE2 . . . . . . . . . c30244_5us3 1 . 2 . 994 . 1 1 28 LYS HE3 H -9.209 -4.775 -4.177 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HE3 . . . . . . . . . c30244_5us3 1 . 2 . 995 . 1 1 28 LYS HG2 H -12.282 -5.283 -6.287 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HG2 . . . . . . . . . c30244_5us3 1 . 2 . 996 . 1 1 28 LYS HG3 H -12.360 -6.445 -4.963 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HG3 . . . . . . . . . c30244_5us3 1 . 2 . 997 . 1 1 28 LYS HZ1 H -11.472 -3.410 -5.534 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HZ1 . . . . . . . . . c30244_5us3 1 . 2 . 998 . 1 1 28 LYS HZ2 H -9.841 -3.264 -5.956 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HZ2 . . . . . . . . . c30244_5us3 1 . 2 . 999 . 1 1 28 LYS HZ3 H -10.381 -2.685 -4.462 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HZ3 . . . . . . . . . c30244_5us3 1 . 2 . 1000 . 1 1 28 LYS N N -10.697 -9.091 -5.760 . . . 1.0 . . . . . . . . . . . . A . 28 LYS N . . . . . . . . . c30244_5us3 1 . 2 . 1001 . 1 1 28 LYS NZ N -10.499 -3.438 -5.170 . . . 1.0 . . . . . . . . . . . . A . 28 LYS NZ . . . . . . . . . c30244_5us3 1 . 2 . 1002 . 1 1 28 LYS O O -13.657 -10.254 -7.141 . . . 1.0 . . . . . . . . . . . . A . 28 LYS O . . . . . . . . . c30244_5us3 1 . 2 . 1003 . 1 1 29 NH2 HN1 H -10.847 -9.624 -8.306 . . . 1.0 . . . . . . . . . . . . A . 29 NH2 HN1 . . . . . . . . . c30244_5us3 1 . 2 . 1004 . 1 1 29 NH2 HN2 H -12.030 -10.717 -8.930 . . . 1.0 . . . . . . . . . . . . A . 29 NH2 HN2 . . . . . . . . . c30244_5us3 1 . 2 . 1005 . 1 1 29 NH2 N N -11.722 -10.062 -8.269 . . . 1.0 . . . . . . . . . . . . A . 29 NH2 N . . . . . . . . . c30244_5us3 1 . 2 . 1006 . 2 2 1 ZN ZN Zn 1.806 -0.734 -4.337 . . . 1.0 . . . . . . . . . . . . A . 101 ZN ZN . . . . . . . . . c30244_5us3 1 . 3 . 1007 . 1 1 1 LYS C C 7.627 2.885 5.218 . . . 1.0 . . . . . . . . . . . . A . 1 LYS C . . . . . . . . . c30244_5us3 1 . 3 . 1008 . 1 1 1 LYS CA C 8.460 1.960 6.108 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CA . . . . . . . . . c30244_5us3 1 . 3 . 1009 . 1 1 1 LYS CB C 8.837 2.684 7.407 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CB . . . . . . . . . c30244_5us3 1 . 3 . 1010 . 1 1 1 LYS CD C 9.741 2.533 9.750 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CD . . . . . . . . . c30244_5us3 1 . 3 . 1011 . 1 1 1 LYS CE C 10.269 1.610 10.836 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CE . . . . . . . . . c30244_5us3 1 . 3 . 1012 . 1 1 1 LYS CG C 9.354 1.759 8.501 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CG . . . . . . . . . c30244_5us3 1 . 3 . 1013 . 1 1 1 LYS H1 H 10.237 0.866 6.019 . . . 1.0 . . . . . . . . . . . . A . 1 LYS H1 . . . . . . . . . c30244_5us3 1 . 3 . 1014 . 1 1 1 LYS H2 H 10.274 2.305 5.131 . . . 1.0 . . . . . . . . . . . . A . 1 LYS H2 . . . . . . . . . c30244_5us3 1 . 3 . 1015 . 1 1 1 LYS H3 H 9.420 0.969 4.540 . . . 1.0 . . . . . . . . . . . . A . 1 LYS H3 . . . . . . . . . c30244_5us3 1 . 3 . 1016 . 1 1 1 LYS HA H 7.863 1.092 6.352 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HA . . . . . . . . . c30244_5us3 1 . 3 . 1017 . 1 1 1 LYS HB2 H 9.606 3.411 7.190 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HB2 . . . . . . . . . c30244_5us3 1 . 3 . 1018 . 1 1 1 LYS HB3 H 7.966 3.199 7.784 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HB3 . . . . . . . . . c30244_5us3 1 . 3 . 1019 . 1 1 1 LYS HD2 H 10.509 3.249 9.495 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HD2 . . . . . . . . . c30244_5us3 1 . 3 . 1020 . 1 1 1 LYS HD3 H 8.872 3.054 10.124 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HD3 . . . . . . . . . c30244_5us3 1 . 3 . 1021 . 1 1 1 LYS HE2 H 9.498 0.899 11.091 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HE2 . . . . . . . . . c30244_5us3 1 . 3 . 1022 . 1 1 1 LYS HE3 H 11.132 1.084 10.456 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HE3 . . . . . . . . . c30244_5us3 1 . 3 . 1023 . 1 1 1 LYS HG2 H 8.580 1.051 8.755 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HG2 . . . . . . . . . c30244_5us3 1 . 3 . 1024 . 1 1 1 LYS HG3 H 10.221 1.231 8.131 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HG3 . . . . . . . . . c30244_5us3 1 . 3 . 1025 . 1 1 1 LYS HZ1 H 11.406 3.049 11.836 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HZ1 . . . . . . . . . c30244_5us3 1 . 3 . 1026 . 1 1 1 LYS HZ2 H 11.016 1.705 12.785 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HZ2 . . . . . . . . . c30244_5us3 1 . 3 . 1027 . 1 1 1 LYS HZ3 H 9.838 2.870 12.446 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HZ3 . . . . . . . . . c30244_5us3 1 . 3 . 1028 . 1 1 1 LYS N N 9.683 1.492 5.400 . . . 1.0 . . . . . . . . . . . . A . 1 LYS N . . . . . . . . . c30244_5us3 1 . 3 . 1029 . 1 1 1 LYS NZ N 10.659 2.361 12.061 . . . 1.0 . . . . . . . . . . . . A . 1 LYS NZ . . . . . . . . . c30244_5us3 1 . 3 . 1030 . 1 1 1 LYS O O 6.401 2.761 5.167 . . . 1.0 . . . . . . . . . . . . A . 1 LYS O . . . . . . . . . c30244_5us3 1 . 3 . 1031 . 1 1 2 TYR C C 7.571 4.212 2.187 . . . 1.0 . . . . . . . . . . . . A . 2 TYR C . . . . . . . . . c30244_5us3 1 . 3 . 1032 . 1 1 2 TYR CA C 7.648 4.762 3.623 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CA . . . . . . . . . c30244_5us3 1 . 3 . 1033 . 1 1 2 TYR CB C 8.405 6.094 3.632 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CB . . . . . . . . . c30244_5us3 1 . 3 . 1034 . 1 1 2 TYR CD1 C 9.083 6.726 5.982 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CD1 . . . . . . . . . c30244_5us3 1 . 3 . 1035 . 1 1 2 TYR CD2 C 7.183 7.808 5.029 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CD2 . . . . . . . . . c30244_5us3 1 . 3 . 1036 . 1 1 2 TYR CE1 C 8.916 7.450 7.146 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CE1 . . . . . . . . . c30244_5us3 1 . 3 . 1037 . 1 1 2 TYR CE2 C 7.011 8.536 6.190 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CE2 . . . . . . . . . c30244_5us3 1 . 3 . 1038 . 1 1 2 TYR CG C 8.221 6.891 4.905 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CG . . . . . . . . . c30244_5us3 1 . 3 . 1039 . 1 1 2 TYR CZ C 7.880 8.354 7.245 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CZ . . . . . . . . . c30244_5us3 1 . 3 . 1040 . 1 1 2 TYR H H 9.283 3.838 4.607 . . . 1.0 . . . . . . . . . . . . A . 2 TYR H . . . . . . . . . c30244_5us3 1 . 3 . 1041 . 1 1 2 TYR HA H 6.647 4.921 3.993 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HA . . . . . . . . . c30244_5us3 1 . 3 . 1042 . 1 1 2 TYR HB2 H 9.461 5.899 3.517 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HB2 . . . . . . . . . c30244_5us3 1 . 3 . 1043 . 1 1 2 TYR HB3 H 8.067 6.701 2.807 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HB3 . . . . . . . . . c30244_5us3 1 . 3 . 1044 . 1 1 2 TYR HD1 H 9.893 6.016 5.901 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HD1 . . . . . . . . . c30244_5us3 1 . 3 . 1045 . 1 1 2 TYR HD2 H 6.505 7.947 4.201 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HD2 . . . . . . . . . c30244_5us3 1 . 3 . 1046 . 1 1 2 TYR HE1 H 9.597 7.308 7.973 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HE1 . . . . . . . . . c30244_5us3 1 . 3 . 1047 . 1 1 2 TYR HE2 H 6.199 9.245 6.267 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HE2 . . . . . . . . . c30244_5us3 1 . 3 . 1048 . 1 1 2 TYR HH H 6.782 9.083 8.645 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HH . . . . . . . . . c30244_5us3 1 . 3 . 1049 . 1 1 2 TYR N N 8.308 3.804 4.518 . . . 1.0 . . . . . . . . . . . . A . 2 TYR N . . . . . . . . . c30244_5us3 1 . 3 . 1050 . 1 1 2 TYR O O 8.445 3.430 1.798 . . . 1.0 . . . . . . . . . . . . A . 2 TYR O . . . . . . . . . c30244_5us3 1 . 3 . 1051 . 1 1 2 TYR OH O 7.711 9.079 8.403 . . . 1.0 . . . . . . . . . . . . A . 2 TYR OH . . . . . . . . . c30244_5us3 1 . 3 . 1052 . 1 1 3 . C C 6.034 2.643 -0.115 . . . 1.0 . . . . . . . . . . . . A . 3 MAA C . . . . . . . . . c30244_5us3 1 . 3 . 1053 . 1 1 3 . CA C 6.368 4.111 -0.044 . . . 1.0 . . . . . . . . . . . . A . 3 MAA CA . . . . . . . . . c30244_5us3 1 . 3 . 1054 . 1 1 3 . CB C 7.627 4.322 -0.865 . . . 1.0 . . . . . . . . . . . . A . 3 MAA CB . . . . . . . . . c30244_5us3 1 . 3 . 1055 . 1 1 3 . CM C 5.445 5.485 1.880 . . . 1.0 . . . . . . . . . . . . A . 3 MAA CM . . . . . . . . . c30244_5us3 1 . 3 . 1056 . 1 1 3 . HA H 5.564 4.645 -0.558 . . . 1.0 . . . . . . . . . . . . A . 3 MAA HA . . . . . . . . . c30244_5us3 1 . 3 . 1057 . 1 1 3 . HB1 H 7.528 3.755 -1.783 . . . 1.0 . . . . . . . . . . . . A . 3 MAA HB1 . . . . . . . . . c30244_5us3 1 . 3 . 1058 . 1 1 3 . HB2 H 8.478 3.962 -0.310 . . . 1.0 . . . . . . . . . . . . A . 3 MAA HB2 . . . . . . . . . c30244_5us3 1 . 3 . 1059 . 1 1 3 . HB3 H 7.748 5.367 -1.089 . . . 1.0 . . . . . . . . . . . . A . 3 MAA HB3 . . . . . . . . . c30244_5us3 1 . 3 . 1060 . 1 1 3 . HM1 H 4.833 4.941 2.582 . . . 1.0 . . . . . . . . . . . . A . 3 MAA HM1 . . . . . . . . . c30244_5us3 1 . 3 . 1061 . 1 1 3 . HM2 H 4.830 5.826 1.061 . . . 1.0 . . . . . . . . . . . . A . 3 MAA HM2 . . . . . . . . . c30244_5us3 1 . 3 . 1062 . 1 1 3 . HM3 H 5.888 6.336 2.373 . . . 1.0 . . . . . . . . . . . . A . 3 MAA HM3 . . . . . . . . . c30244_5us3 1 . 3 . 1063 . 1 1 3 . N N 6.515 4.592 1.364 . . . 1.0 . . . . . . . . . . . . A . 3 MAA N . . . . . . . . . c30244_5us3 1 . 3 . 1064 . 1 1 3 . O O 6.298 1.869 0.809 . . . 1.0 . . . . . . . . . . . . A . 3 MAA O . . . . . . . . . c30244_5us3 1 . 3 . 1065 . 1 1 4 CYS C C 6.248 -0.013 -1.776 . . . 1.0 . . . . . . . . . . . . A . 4 CYS C . . . . . . . . . c30244_5us3 1 . 3 . 1066 . 1 1 4 CYS CA C 5.083 0.948 -1.595 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CA . . . . . . . . . c30244_5us3 1 . 3 . 1067 . 1 1 4 CYS CB C 4.258 1.030 -2.835 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CB . . . . . . . . . c30244_5us3 1 . 3 . 1068 . 1 1 4 CYS H H 5.369 2.985 -1.944 . . . 1.0 . . . . . . . . . . . . A . 4 CYS H . . . . . . . . . c30244_5us3 1 . 3 . 1069 . 1 1 4 CYS HA H 4.472 0.554 -0.808 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HA . . . . . . . . . c30244_5us3 1 . 3 . 1070 . 1 1 4 CYS HB2 H 3.322 1.533 -2.612 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB2 . . . . . . . . . c30244_5us3 1 . 3 . 1071 . 1 1 4 CYS HB3 H 4.800 1.601 -3.565 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB3 . . . . . . . . . c30244_5us3 1 . 3 . 1072 . 1 1 4 CYS N N 5.496 2.289 -1.267 . . . 1.0 . . . . . . . . . . . . A . 4 CYS N . . . . . . . . . c30244_5us3 1 . 3 . 1073 . 1 1 4 CYS O O 7.304 0.349 -2.301 . . . 1.0 . . . . . . . . . . . . A . 4 CYS O . . . . . . . . . c30244_5us3 1 . 3 . 1074 . 1 1 4 CYS SG S 3.891 -0.558 -3.561 . . . 1.0 . . . . . . . . . . . . A . 4 CYS SG . . . . . . . . . c30244_5us3 1 . 3 . 1075 . 1 1 5 PRO C C 7.028 -3.201 -2.647 . . . 1.0 . . . . . . . . . . . . A . 5 PRO C . . . . . . . . . c30244_5us3 1 . 3 . 1076 . 1 1 5 PRO CA C 7.031 -2.334 -1.378 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CA . . . . . . . . . c30244_5us3 1 . 3 . 1077 . 1 1 5 PRO CB C 6.558 -3.148 -0.184 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CB . . . . . . . . . c30244_5us3 1 . 3 . 1078 . 1 1 5 PRO CD C 4.772 -1.736 -0.657 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CD . . . . . . . . . c30244_5us3 1 . 3 . 1079 . 1 1 5 PRO CG C 5.084 -3.158 -0.362 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CG . . . . . . . . . c30244_5us3 1 . 3 . 1080 . 1 1 5 PRO HA H 8.021 -1.964 -1.195 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HA . . . . . . . . . c30244_5us3 1 . 3 . 1081 . 1 1 5 PRO HB2 H 6.977 -4.143 -0.204 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HB2 . . . . . . . . . c30244_5us3 1 . 3 . 1082 . 1 1 5 PRO HB3 H 6.805 -2.631 0.727 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HB3 . . . . . . . . . c30244_5us3 1 . 3 . 1083 . 1 1 5 PRO HD2 H 3.922 -1.661 -1.321 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HD2 . . . . . . . . . c30244_5us3 1 . 3 . 1084 . 1 1 5 PRO HD3 H 4.595 -1.195 0.259 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HD3 . . . . . . . . . c30244_5us3 1 . 3 . 1085 . 1 1 5 PRO HG2 H 4.815 -3.780 -1.213 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HG2 . . . . . . . . . c30244_5us3 1 . 3 . 1086 . 1 1 5 PRO HG3 H 4.586 -3.475 0.537 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HG3 . . . . . . . . . c30244_5us3 1 . 3 . 1087 . 1 1 5 PRO N N 6.030 -1.262 -1.326 . . . 1.0 . . . . . . . . . . . . A . 5 PRO N . . . . . . . . . c30244_5us3 1 . 3 . 1088 . 1 1 5 PRO O O 8.030 -3.855 -2.950 . . . 1.0 . . . . . . . . . . . . A . 5 PRO O . . . . . . . . . c30244_5us3 1 . 3 . 1089 . 1 1 6 GLU C C 5.429 -3.277 -5.842 . . . 1.0 . . . . . . . . . . . . A . 6 GLU C . . . . . . . . . c30244_5us3 1 . 3 . 1090 . 1 1 6 GLU CA C 5.787 -4.059 -4.567 . . . 1.0 . . . . . . . . . . . . A . 6 GLU CA . . . . . . . . . c30244_5us3 1 . 3 . 1091 . 1 1 6 GLU CB C 4.794 -5.209 -4.279 . . . 1.0 . . . . . . . . . . . . A . 6 GLU CB . . . . . . . . . c30244_5us3 1 . 3 . 1092 . 1 1 6 GLU CD C 3.451 -7.177 -5.139 . . . 1.0 . . . . . . . . . . . . A . 6 GLU CD . . . . . . . . . c30244_5us3 1 . 3 . 1093 . 1 1 6 GLU CG C 4.450 -6.088 -5.478 . . . 1.0 . . . . . . . . . . . . A . 6 GLU CG . . . . . . . . . c30244_5us3 1 . 3 . 1094 . 1 1 6 GLU H H 5.167 -2.588 -3.127 . . . 1.0 . . . . . . . . . . . . A . 6 GLU H . . . . . . . . . c30244_5us3 1 . 3 . 1095 . 1 1 6 GLU HA H 6.753 -4.502 -4.724 . . . 1.0 . . . . . . . . . . . . A . 6 GLU HA . . . . . . . . . c30244_5us3 1 . 3 . 1096 . 1 1 6 GLU HB2 H 5.225 -5.845 -3.520 . . . 1.0 . . . . . . . . . . . . A . 6 GLU HB2 . . . . . . . . . c30244_5us3 1 . 3 . 1097 . 1 1 6 GLU HB3 H 3.879 -4.791 -3.891 . . . 1.0 . . . . . . . . . . . . A . 6 GLU HB3 . . . . . . . . . c30244_5us3 1 . 3 . 1098 . 1 1 6 GLU HG2 H 4.030 -5.461 -6.250 . . . 1.0 . . . . . . . . . . . . A . 6 GLU HG2 . . . . . . . . . c30244_5us3 1 . 3 . 1099 . 1 1 6 GLU HG3 H 5.357 -6.547 -5.842 . . . 1.0 . . . . . . . . . . . . A . 6 GLU HG3 . . . . . . . . . c30244_5us3 1 . 3 . 1100 . 1 1 6 GLU N N 5.908 -3.201 -3.378 . . . 1.0 . . . . . . . . . . . . A . 6 GLU N . . . . . . . . . c30244_5us3 1 . 3 . 1101 . 1 1 6 GLU O O 5.704 -3.751 -6.949 . . . 1.0 . . . . . . . . . . . . A . 6 GLU O . . . . . . . . . c30244_5us3 1 . 3 . 1102 . 1 1 6 GLU OE1 O 3.885 -8.276 -4.738 . . . 1.0 . . . . . . . . . . . . A . 6 GLU OE1 . . . . . . . . . c30244_5us3 1 . 3 . 1103 . 1 1 6 GLU OE2 O 2.234 -6.929 -5.273 . . . 1.0 . . . . . . . . . . . . A . 6 GLU OE2 . . . . . . . . . c30244_5us3 1 . 3 . 1104 . 1 1 7 CYS C C 4.766 0.227 -6.633 . . . 1.0 . . . . . . . . . . . . A . 7 CYS C . . . . . . . . . c30244_5us3 1 . 3 . 1105 . 1 1 7 CYS CA C 4.478 -1.269 -6.860 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CA . . . . . . . . . c30244_5us3 1 . 3 . 1106 . 1 1 7 CYS CB C 3.033 -1.478 -7.360 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CB . . . . . . . . . c30244_5us3 1 . 3 . 1107 . 1 1 7 CYS H H 4.676 -1.754 -4.786 . . . 1.0 . . . . . . . . . . . . A . 7 CYS H . . . . . . . . . c30244_5us3 1 . 3 . 1108 . 1 1 7 CYS HA H 5.129 -1.607 -7.640 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HA . . . . . . . . . c30244_5us3 1 . 3 . 1109 . 1 1 7 CYS HB2 H 3.012 -1.245 -8.409 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB2 . . . . . . . . . c30244_5us3 1 . 3 . 1110 . 1 1 7 CYS HB3 H 2.761 -2.509 -7.220 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB3 . . . . . . . . . c30244_5us3 1 . 3 . 1111 . 1 1 7 CYS N N 4.833 -2.092 -5.692 . . . 1.0 . . . . . . . . . . . . A . 7 CYS N . . . . . . . . . c30244_5us3 1 . 3 . 1112 . 1 1 7 CYS O O 4.207 0.834 -5.732 . . . 1.0 . . . . . . . . . . . . A . 7 CYS O . . . . . . . . . c30244_5us3 1 . 3 . 1113 . 1 1 7 CYS SG S 1.744 -0.454 -6.595 . . . 1.0 . . . . . . . . . . . . A . 7 CYS SG . . . . . . . . . c30244_5us3 1 . 3 . 1114 . 1 1 8 PRO C C 4.887 3.281 -7.471 . . . 1.0 . . . . . . . . . . . . A . 8 PRO C . . . . . . . . . c30244_5us3 1 . 3 . 1115 . 1 1 8 PRO CA C 6.048 2.265 -7.427 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CA . . . . . . . . . c30244_5us3 1 . 3 . 1116 . 1 1 8 PRO CB C 6.947 2.424 -8.662 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CB . . . . . . . . . c30244_5us3 1 . 3 . 1117 . 1 1 8 PRO CD C 6.344 0.129 -8.560 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CD . . . . . . . . . c30244_5us3 1 . 3 . 1118 . 1 1 8 PRO CG C 7.451 1.060 -8.952 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CG . . . . . . . . . c30244_5us3 1 . 3 . 1119 . 1 1 8 PRO HA H 6.637 2.457 -6.541 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HA . . . . . . . . . c30244_5us3 1 . 3 . 1120 . 1 1 8 PRO HB2 H 6.365 2.807 -9.492 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HB2 . . . . . . . . . c30244_5us3 1 . 3 . 1121 . 1 1 8 PRO HB3 H 7.769 3.087 -8.444 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HB3 . . . . . . . . . c30244_5us3 1 . 3 . 1122 . 1 1 8 PRO HD2 H 5.672 -0.042 -9.380 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HD2 . . . . . . . . . c30244_5us3 1 . 3 . 1123 . 1 1 8 PRO HD3 H 6.741 -0.804 -8.188 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HD3 . . . . . . . . . c30244_5us3 1 . 3 . 1124 . 1 1 8 PRO HG2 H 7.674 0.966 -10.007 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HG2 . . . . . . . . . c30244_5us3 1 . 3 . 1125 . 1 1 8 PRO HG3 H 8.331 0.857 -8.360 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HG3 . . . . . . . . . c30244_5us3 1 . 3 . 1126 . 1 1 8 PRO N N 5.644 0.832 -7.485 . . . 1.0 . . . . . . . . . . . . A . 8 PRO N . . . . . . . . . c30244_5us3 1 . 3 . 1127 . 1 1 8 PRO O O 4.957 4.303 -8.167 . . . 1.0 . . . . . . . . . . . . A . 8 PRO O . . . . . . . . . c30244_5us3 1 . 3 . 1128 . 1 1 9 LYS C C 2.988 5.115 -5.728 . . . 1.0 . . . . . . . . . . . . A . 9 LYS C . . . . . . . . . c30244_5us3 1 . 3 . 1129 . 1 1 9 LYS CA C 2.672 3.871 -6.576 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CA . . . . . . . . . c30244_5us3 1 . 3 . 1130 . 1 1 9 LYS CB C 1.462 3.063 -6.076 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CB . . . . . . . . . c30244_5us3 1 . 3 . 1131 . 1 1 9 LYS CD C -0.198 2.804 -7.962 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CD . . . . . . . . . c30244_5us3 1 . 3 . 1132 . 1 1 9 LYS CE C -1.526 3.265 -8.540 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CE . . . . . . . . . c30244_5us3 1 . 3 . 1133 . 1 1 9 LYS CG C 0.128 3.529 -6.662 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CG . . . . . . . . . c30244_5us3 1 . 3 . 1134 . 1 1 9 LYS H H 3.814 2.149 -6.211 . . . 1.0 . . . . . . . . . . . . A . 9 LYS H . . . . . . . . . c30244_5us3 1 . 3 . 1135 . 1 1 9 LYS HA H 2.453 4.227 -7.506 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HA . . . . . . . . . c30244_5us3 1 . 3 . 1136 . 1 1 9 LYS HB2 H 1.605 2.029 -6.356 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB2 . . . . . . . . . c30244_5us3 1 . 3 . 1137 . 1 1 9 LYS HB3 H 1.412 3.125 -5.003 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB3 . . . . . . . . . c30244_5us3 1 . 3 . 1138 . 1 1 9 LYS HD2 H 0.583 3.005 -8.680 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD2 . . . . . . . . . c30244_5us3 1 . 3 . 1139 . 1 1 9 LYS HD3 H -0.248 1.742 -7.769 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD3 . . . . . . . . . c30244_5us3 1 . 3 . 1140 . 1 1 9 LYS HE2 H -2.310 3.044 -7.830 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE2 . . . . . . . . . c30244_5us3 1 . 3 . 1141 . 1 1 9 LYS HE3 H -1.482 4.331 -8.706 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE3 . . . . . . . . . c30244_5us3 1 . 3 . 1142 . 1 1 9 LYS HG2 H -0.661 3.335 -5.952 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG2 . . . . . . . . . c30244_5us3 1 . 3 . 1143 . 1 1 9 LYS HG3 H 0.185 4.589 -6.859 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG3 . . . . . . . . . c30244_5us3 1 . 3 . 1144 . 1 1 9 LYS HZ1 H -1.883 1.556 -9.687 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ1 . . . . . . . . . c30244_5us3 1 . 3 . 1145 . 1 1 9 LYS HZ2 H -1.099 2.796 -10.529 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ2 . . . . . . . . . c30244_5us3 1 . 3 . 1146 . 1 1 9 LYS HZ3 H -2.753 2.916 -10.195 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ3 . . . . . . . . . c30244_5us3 1 . 3 . 1147 . 1 1 9 LYS N N 3.827 2.996 -6.701 . . . 1.0 . . . . . . . . . . . . A . 9 LYS N . . . . . . . . . c30244_5us3 1 . 3 . 1148 . 1 1 9 LYS NZ N -1.837 2.586 -9.828 . . . 1.0 . . . . . . . . . . . . A . 9 LYS NZ . . . . . . . . . c30244_5us3 1 . 3 . 1149 . 1 1 9 LYS O O 2.479 6.189 -6.043 . . . 1.0 . . . . . . . . . . . . A . 9 LYS O . . . . . . . . . c30244_5us3 1 . 3 . 1150 . 1 1 10 MMO C C 3.412 7.326 -3.728 . . . 1.0 . . . . . . . . . . . . A . 10 MMO C . . . . . . . . . c30244_5us3 1 . 3 . 1151 . 1 1 10 MMO CA C 4.280 6.066 -3.755 . . . 1.0 . . . . . . . . . . . . A . 10 MMO CA . . . . . . . . . c30244_5us3 1 . 3 . 1152 . 1 1 10 MMO CB C 5.727 6.381 -4.187 . . . 1.0 . . . . . . . . . . . . A . 10 MMO CB . . . . . . . . . c30244_5us3 1 . 3 . 1153 . 1 1 10 MMO CD C 8.043 6.764 -3.330 . . . 1.0 . . . . . . . . . . . . A . 10 MMO CD . . . . . . . . . c30244_5us3 1 . 3 . 1154 . 1 1 10 MMO CG C 6.571 7.082 -3.134 . . . 1.0 . . . . . . . . . . . . A . 10 MMO CG . . . . . . . . . c30244_5us3 1 . 3 . 1155 . 1 1 10 MMO CN C 4.286 3.639 -4.268 . . . 1.0 . . . . . . . . . . . . A . 10 MMO CN . . . . . . . . . c30244_5us3 1 . 3 . 1156 . 1 1 10 MMO CZ C 10.217 7.249 -2.221 . . . 1.0 . . . . . . . . . . . . A . 10 MMO CZ . . . . . . . . . c30244_5us3 1 . 3 . 1157 . 1 1 10 MMO HA H 4.284 5.650 -2.778 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HA . . . . . . . . . c30244_5us3 1 . 3 . 1158 . 1 1 10 MMO HC1 H 4.221 3.532 -3.198 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HC1 . . . . . . . . . c30244_5us3 1 . 3 . 1159 . 1 1 10 MMO HC2 H 5.306 3.494 -4.592 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HC2 . . . . . . . . . c30244_5us3 1 . 3 . 1160 . 1 1 10 MMO HC3 H 3.648 2.909 -4.745 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HC3 . . . . . . . . . c30244_5us3 1 . 3 . 1161 . 1 1 10 MMO HCB1 H 5.700 7.000 -5.071 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HCB1 . . . . . . . . . c30244_5us3 1 . 3 . 1162 . 1 1 10 MMO HCB2 H 6.216 5.451 -4.425 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HCB2 . . . . . . . . . c30244_5us3 1 . 3 . 1163 . 1 1 10 MMO HCD1 H 8.348 7.126 -4.300 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HCD1 . . . . . . . . . c30244_5us3 1 . 3 . 1164 . 1 1 10 MMO HCD2 H 8.172 5.691 -3.293 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HCD2 . . . . . . . . . c30244_5us3 1 . 3 . 1165 . 1 1 10 MMO HCG1 H 6.265 6.747 -2.155 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HCG1 . . . . . . . . . c30244_5us3 1 . 3 . 1166 . 1 1 10 MMO HCG2 H 6.428 8.149 -3.217 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HCG2 . . . . . . . . . c30244_5us3 1 . 3 . 1167 . 1 1 10 MMO HH11 H 11.883 6.425 -3.028 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HH11 . . . . . . . . . c30244_5us3 1 . 3 . 1168 . 1 1 10 MMO HH12 H 10.402 6.052 -3.845 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HH12 . . . . . . . . . c30244_5us3 1 . 3 . 1169 . 1 1 10 MMO HH21 H 10.383 8.410 -0.576 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HH21 . . . . . . . . . c30244_5us3 1 . 3 . 1170 . 1 1 10 MMO HH22 H 11.871 7.760 -1.179 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HH22 . . . . . . . . . c30244_5us3 1 . 3 . 1171 . 1 1 10 MMO N N 3.833 4.980 -4.654 . . . 1.0 . . . . . . . . . . . . A . 10 MMO N . . . . . . . . . c30244_5us3 1 . 3 . 1172 . 1 1 10 MMO NE N 8.885 7.383 -2.301 . . . 1.0 . . . . . . . . . . . . A . 10 MMO NE . . . . . . . . . c30244_5us3 1 . 3 . 1173 . 1 1 10 MMO NH1 N 10.889 6.514 -3.104 . . . 1.0 . . . . . . . . . . . . A . 10 MMO NH1 . . . . . . . . . c30244_5us3 1 . 3 . 1174 . 1 1 10 MMO NH2 N 10.878 7.856 -1.245 . . . 1.0 . . . . . . . . . . . . A . 10 MMO NH2 . . . . . . . . . c30244_5us3 1 . 3 . 1175 . 1 1 10 MMO O O 3.155 7.955 -4.758 . . . 1.0 . . . . . . . . . . . . A . 10 MMO O . . . . . . . . . c30244_5us3 1 . 3 . 1176 . 1 1 11 PHE C C 2.680 9.820 -1.307 . . . 1.0 . . . . . . . . . . . . A . 11 PHE C . . . . . . . . . c30244_5us3 1 . 3 . 1177 . 1 1 11 PHE CA C 2.105 8.810 -2.296 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CA . . . . . . . . . c30244_5us3 1 . 3 . 1178 . 1 1 11 PHE CB C 0.752 8.206 -1.816 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CB . . . . . . . . . c30244_5us3 1 . 3 . 1179 . 1 1 11 PHE CD1 C 0.690 5.792 -1.012 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CD1 . . . . . . . . . c30244_5us3 1 . 3 . 1180 . 1 1 11 PHE CD2 C 0.656 6.214 -3.358 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CD2 . . . . . . . . . c30244_5us3 1 . 3 . 1181 . 1 1 11 PHE CE1 C 0.678 4.439 -1.267 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CE1 . . . . . . . . . c30244_5us3 1 . 3 . 1182 . 1 1 11 PHE CE2 C 0.652 4.874 -3.606 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CE2 . . . . . . . . . c30244_5us3 1 . 3 . 1183 . 1 1 11 PHE CG C 0.681 6.707 -2.060 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CG . . . . . . . . . c30244_5us3 1 . 3 . 1184 . 1 1 11 PHE CZ C 0.668 3.983 -2.580 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CZ . . . . . . . . . c30244_5us3 1 . 3 . 1185 . 1 1 11 PHE H H 3.374 7.229 -1.732 . . . 1.0 . . . . . . . . . . . . A . 11 PHE H . . . . . . . . . c30244_5us3 1 . 3 . 1186 . 1 1 11 PHE HA H 1.950 9.301 -3.244 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HA . . . . . . . . . c30244_5us3 1 . 3 . 1187 . 1 1 11 PHE HB2 H 0.637 8.383 -0.758 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HB2 . . . . . . . . . c30244_5us3 1 . 3 . 1188 . 1 1 11 PHE HB3 H -0.061 8.673 -2.351 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HB3 . . . . . . . . . c30244_5us3 1 . 3 . 1189 . 1 1 11 PHE HD1 H 0.733 6.137 0.010 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HD1 . . . . . . . . . c30244_5us3 1 . 3 . 1190 . 1 1 11 PHE HD2 H 0.653 6.903 -4.181 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HD2 . . . . . . . . . c30244_5us3 1 . 3 . 1191 . 1 1 11 PHE HE1 H 0.675 3.747 -0.444 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HE1 . . . . . . . . . c30244_5us3 1 . 3 . 1192 . 1 1 11 PHE HE2 H 0.683 4.511 -4.626 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HE2 . . . . . . . . . c30244_5us3 1 . 3 . 1193 . 1 1 11 PHE HZ H 0.662 2.926 -2.810 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HZ . . . . . . . . . c30244_5us3 1 . 3 . 1194 . 1 1 11 PHE N N 3.023 7.704 -2.512 . . . 1.0 . . . . . . . . . . . . A . 11 PHE N . . . . . . . . . c30244_5us3 1 . 3 . 1195 . 1 1 11 PHE O O 3.270 10.822 -1.724 . . . 1.0 . . . . . . . . . . . . A . 11 PHE O . . . . . . . . . c30244_5us3 1 . 3 . 1196 . 1 1 12 NLE C C 2.704 9.847 2.449 . . . 1.0 . . . . . . . . . . . . A . 12 NLE C . . . . . . . . . c30244_5us3 1 . 3 . 1197 . 1 1 12 NLE CA C 3.012 10.433 1.067 . . . 1.0 . . . . . . . . . . . . A . 12 NLE CA . . . . . . . . . c30244_5us3 1 . 3 . 1198 . 1 1 12 NLE CB C 2.374 11.835 0.945 . . . 1.0 . . . . . . . . . . . . A . 12 NLE CB . . . . . . . . . c30244_5us3 1 . 3 . 1199 . 1 1 12 NLE CD C 3.147 13.333 2.830 . . . 1.0 . . . . . . . . . . . . A . 12 NLE CD . . . . . . . . . c30244_5us3 1 . 3 . 1200 . 1 1 12 NLE CE C 4.076 14.471 3.195 . . . 1.0 . . . . . . . . . . . . A . 12 NLE CE . . . . . . . . . c30244_5us3 1 . 3 . 1201 . 1 1 12 NLE CG C 3.287 12.993 1.353 . . . 1.0 . . . . . . . . . . . . A . 12 NLE CG . . . . . . . . . c30244_5us3 1 . 3 . 1202 . 1 1 12 NLE H H 2.052 8.725 0.255 . . . 1.0 . . . . . . . . . . . . A . 12 NLE H . . . . . . . . . c30244_5us3 1 . 3 . 1203 . 1 1 12 NLE HA H 4.082 10.519 0.955 . . . 1.0 . . . . . . . . . . . . A . 12 NLE HA . . . . . . . . . c30244_5us3 1 . 3 . 1204 . 1 1 12 NLE HB2 H 1.491 11.864 1.565 . . . 1.0 . . . . . . . . . . . . A . 12 NLE HB2 . . . . . . . . . c30244_5us3 1 . 3 . 1205 . 1 1 12 NLE HB3 H 2.082 11.981 -0.084 . . . 1.0 . . . . . . . . . . . . A . 12 NLE HB3 . . . . . . . . . c30244_5us3 1 . 3 . 1206 . 1 1 12 NLE HD2 H 3.407 12.468 3.425 . . . 1.0 . . . . . . . . . . . . A . 12 NLE HD2 . . . . . . . . . c30244_5us3 1 . 3 . 1207 . 1 1 12 NLE HD3 H 2.131 13.634 3.037 . . . 1.0 . . . . . . . . . . . . A . 12 NLE HD3 . . . . . . . . . c30244_5us3 1 . 3 . 1208 . 1 1 12 NLE HE1 H 5.096 14.183 2.991 . . . 1.0 . . . . . . . . . . . . A . 12 NLE HE1 . . . . . . . . . c30244_5us3 1 . 3 . 1209 . 1 1 12 NLE HE2 H 3.969 14.701 4.245 . . . 1.0 . . . . . . . . . . . . A . 12 NLE HE2 . . . . . . . . . c30244_5us3 1 . 3 . 1210 . 1 1 12 NLE HE3 H 3.824 15.342 2.608 . . . 1.0 . . . . . . . . . . . . A . 12 NLE HE3 . . . . . . . . . c30244_5us3 1 . 3 . 1211 . 1 1 12 NLE HG2 H 3.026 13.864 0.770 . . . 1.0 . . . . . . . . . . . . A . 12 NLE HG2 . . . . . . . . . c30244_5us3 1 . 3 . 1212 . 1 1 12 NLE HG3 H 4.312 12.722 1.155 . . . 1.0 . . . . . . . . . . . . A . 12 NLE HG3 . . . . . . . . . c30244_5us3 1 . 3 . 1213 . 1 1 12 NLE N N 2.518 9.549 0.000 . . . 1.0 . . . . . . . . . . . . A . 12 NLE N . . . . . . . . . c30244_5us3 1 . 3 . 1214 . 1 1 12 NLE O O 3.160 10.382 3.466 . . . 1.0 . . . . . . . . . . . . A . 12 NLE O . . . . . . . . . c30244_5us3 1 . 3 . 1215 . 1 1 13 ARG C C 1.907 6.635 3.738 . . . 1.0 . . . . . . . . . . . . A . 13 ARG C . . . . . . . . . c30244_5us3 1 . 3 . 1216 . 1 1 13 ARG CA C 1.578 8.115 3.751 . . . 1.0 . . . . . . . . . . . . A . 13 ARG CA . . . . . . . . . c30244_5us3 1 . 3 . 1217 . 1 1 13 ARG CB C 0.089 8.336 4.034 . . . 1.0 . . . . . . . . . . . . A . 13 ARG CB . . . . . . . . . c30244_5us3 1 . 3 . 1218 . 1 1 13 ARG CD C -0.186 9.539 6.238 . . . 1.0 . . . . . . . . . . . . A . 13 ARG CD . . . . . . . . . c30244_5us3 1 . 3 . 1219 . 1 1 13 ARG CG C -0.221 9.662 4.720 . . . 1.0 . . . . . . . . . . . . A . 13 ARG CG . . . . . . . . . c30244_5us3 1 . 3 . 1220 . 1 1 13 ARG CZ C -1.012 10.923 8.135 . . . 1.0 . . . . . . . . . . . . A . 13 ARG CZ . . . . . . . . . c30244_5us3 1 . 3 . 1221 . 1 1 13 ARG H H 1.659 8.310 1.637 . . . 1.0 . . . . . . . . . . . . A . 13 ARG H . . . . . . . . . c30244_5us3 1 . 3 . 1222 . 1 1 13 ARG HA H 2.155 8.589 4.531 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HA . . . . . . . . . c30244_5us3 1 . 3 . 1223 . 1 1 13 ARG HB2 H -0.444 8.312 3.097 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HB2 . . . . . . . . . c30244_5us3 1 . 3 . 1224 . 1 1 13 ARG HB3 H -0.269 7.535 4.664 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HB3 . . . . . . . . . c30244_5us3 1 . 3 . 1225 . 1 1 13 ARG HD2 H -0.906 8.795 6.544 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HD2 . . . . . . . . . c30244_5us3 1 . 3 . 1226 . 1 1 13 ARG HD3 H 0.803 9.228 6.539 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HD3 . . . . . . . . . c30244_5us3 1 . 3 . 1227 . 1 1 13 ARG HE H -0.339 11.631 6.390 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HE . . . . . . . . . c30244_5us3 1 . 3 . 1228 . 1 1 13 ARG HG2 H 0.514 10.392 4.415 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HG2 . . . . . . . . . c30244_5us3 1 . 3 . 1229 . 1 1 13 ARG HG3 H -1.204 9.992 4.419 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HG3 . . . . . . . . . c30244_5us3 1 . 3 . 1230 . 1 1 13 ARG HH11 H -1.076 8.933 8.514 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HH11 . . . . . . . . . c30244_5us3 1 . 3 . 1231 . 1 1 13 ARG HH12 H -1.639 9.949 9.799 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HH12 . . . . . . . . . c30244_5us3 1 . 3 . 1232 . 1 1 13 ARG HH21 H -1.643 12.216 9.554 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HH21 . . . . . . . . . c30244_5us3 1 . 3 . 1233 . 1 1 13 ARG HH22 H -1.085 12.941 8.084 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HH22 . . . . . . . . . c30244_5us3 1 . 3 . 1234 . 1 1 13 ARG N N 1.949 8.737 2.485 . . . 1.0 . . . . . . . . . . . . A . 13 ARG N . . . . . . . . . c30244_5us3 1 . 3 . 1235 . 1 1 13 ARG NE N -0.508 10.810 6.898 . . . 1.0 . . . . . . . . . . . . A . 13 ARG NE . . . . . . . . . c30244_5us3 1 . 3 . 1236 . 1 1 13 ARG NH1 N -1.263 9.845 8.878 . . . 1.0 . . . . . . . . . . . . A . 13 ARG NH1 . . . . . . . . . c30244_5us3 1 . 3 . 1237 . 1 1 13 ARG NH2 N -1.268 12.125 8.632 . . . 1.0 . . . . . . . . . . . . A . 13 ARG NH2 . . . . . . . . . c30244_5us3 1 . 3 . 1238 . 1 1 13 ARG O O 1.658 5.944 2.745 . . . 1.0 . . . . . . . . . . . . A . 13 ARG O . . . . . . . . . c30244_5us3 1 . 3 . 1239 . 1 1 14 SER C C 1.716 3.911 5.560 . . . 1.0 . . . . . . . . . . . . A . 14 SER C . . . . . . . . . c30244_5us3 1 . 3 . 1240 . 1 1 14 SER CA C 2.854 4.758 4.983 . . . 1.0 . . . . . . . . . . . . A . 14 SER CA . . . . . . . . . c30244_5us3 1 . 3 . 1241 . 1 1 14 SER CB C 4.099 4.633 5.862 . . . 1.0 . . . . . . . . . . . . A . 14 SER CB . . . . . . . . . c30244_5us3 1 . 3 . 1242 . 1 1 14 SER H H 2.625 6.767 5.602 . . . 1.0 . . . . . . . . . . . . A . 14 SER H . . . . . . . . . c30244_5us3 1 . 3 . 1243 . 1 1 14 SER HA H 3.085 4.397 3.990 . . . 1.0 . . . . . . . . . . . . A . 14 SER HA . . . . . . . . . c30244_5us3 1 . 3 . 1244 . 1 1 14 SER HB2 H 3.875 4.994 6.854 . . . 1.0 . . . . . . . . . . . . A . 14 SER HB2 . . . . . . . . . c30244_5us3 1 . 3 . 1245 . 1 1 14 SER HB3 H 4.396 3.595 5.915 . . . 1.0 . . . . . . . . . . . . A . 14 SER HB3 . . . . . . . . . c30244_5us3 1 . 3 . 1246 . 1 1 14 SER HG H 5.163 6.270 5.711 . . . 1.0 . . . . . . . . . . . . A . 14 SER HG . . . . . . . . . c30244_5us3 1 . 3 . 1247 . 1 1 14 SER N N 2.467 6.158 4.850 . . . 1.0 . . . . . . . . . . . . A . 14 SER N . . . . . . . . . c30244_5us3 1 . 3 . 1248 . 1 1 14 SER O O 1.498 2.784 5.110 . . . 1.0 . . . . . . . . . . . . A . 14 SER O . . . . . . . . . c30244_5us3 1 . 3 . 1249 . 1 1 14 SER OG O 5.175 5.388 5.333 . . . 1.0 . . . . . . . . . . . . A . 14 SER OG . . . . . . . . . c30244_5us3 1 . 3 . 1250 . 1 1 15 B3D C C -2.112 4.150 5.684 . . . 1.0 . . . . . . . . . . . . A . 15 B3D C . . . . . . . . . c30244_5us3 1 . 3 . 1251 . 1 1 15 B3D CA C -1.416 4.506 6.968 . . . 1.0 . . . . . . . . . . . . A . 15 B3D CA . . . . . . . . . c30244_5us3 1 . 3 . 1252 . 1 1 15 B3D CB C -0.096 3.754 7.171 . . . 1.0 . . . . . . . . . . . . A . 15 B3D CB . . . . . . . . . c30244_5us3 1 . 3 . 1253 . 1 1 15 B3D CD C 1.345 2.806 9.051 . . . 1.0 . . . . . . . . . . . . A . 15 B3D CD . . . . . . . . . c30244_5us3 1 . 3 . 1254 . 1 1 15 B3D CG C 0.141 3.661 8.694 . . . 1.0 . . . . . . . . . . . . A . 15 B3D CG . . . . . . . . . c30244_5us3 1 . 3 . 1255 . 1 1 15 B3D H H 1.244 5.349 6.882 . . . 1.0 . . . . . . . . . . . . A . 15 B3D H . . . . . . . . . c30244_5us3 1 . 3 . 1256 . 1 1 15 B3D HA1 H -1.217 5.568 6.959 . . . 1.0 . . . . . . . . . . . . A . 15 B3D HA1 . . . . . . . . . c30244_5us3 1 . 3 . 1257 . 1 1 15 B3D HA2 H -2.083 4.279 7.786 . . . 1.0 . . . . . . . . . . . . A . 15 B3D HA2 . . . . . . . . . c30244_5us3 1 . 3 . 1258 . 1 1 15 B3D HB H -0.137 2.761 6.676 . . . 1.0 . . . . . . . . . . . . A . 15 B3D HB . . . . . . . . . c30244_5us3 1 . 3 . 1259 . 1 1 15 B3D HG2 H -0.731 3.229 9.163 . . . 1.0 . . . . . . . . . . . . A . 15 B3D HG2 . . . . . . . . . c30244_5us3 1 . 3 . 1260 . 1 1 15 B3D HG3 H 0.300 4.653 9.088 . . . 1.0 . . . . . . . . . . . . A . 15 B3D HG3 . . . . . . . . . c30244_5us3 1 . 3 . 1261 . 1 1 15 B3D N N 1.007 4.454 6.559 . . . 1.0 . . . . . . . . . . . . A . 15 B3D N . . . . . . . . . c30244_5us3 1 . 3 . 1262 . 1 1 15 B3D O O -2.625 3.025 5.517 . . . 1.0 . . . . . . . . . . . . A . 15 B3D O . . . . . . . . . c30244_5us3 1 . 3 . 1263 . 1 1 15 B3D OE1 O 1.149 1.627 9.416 . . . 1.0 . . . . . . . . . . . . A . 15 B3D OE1 . . . . . . . . . c30244_5us3 1 . 3 . 1264 . 1 1 15 B3D OE2 O 2.481 3.316 8.966 . . . 1.0 . . . . . . . . . . . . A . 15 B3D OE2 . . . . . . . . . c30244_5us3 1 . 3 . 1265 . 1 1 16 HIS C C -2.114 3.797 2.653 . . . 1.0 . . . . . . . . . . . . A . 16 HIS C . . . . . . . . . c30244_5us3 1 . 3 . 1266 . 1 1 16 HIS CA C -2.727 4.959 3.427 . . . 1.0 . . . . . . . . . . . . A . 16 HIS CA . . . . . . . . . c30244_5us3 1 . 3 . 1267 . 1 1 16 HIS CB C -2.607 6.246 2.610 . . . 1.0 . . . . . . . . . . . . A . 16 HIS CB . . . . . . . . . c30244_5us3 1 . 3 . 1268 . 1 1 16 HIS CD2 C -3.324 8.168 4.209 . . . 1.0 . . . . . . . . . . . . A . 16 HIS CD2 . . . . . . . . . c30244_5us3 1 . 3 . 1269 . 1 1 16 HIS CE1 C -5.142 8.795 3.156 . . . 1.0 . . . . . . . . . . . . A . 16 HIS CE1 . . . . . . . . . c30244_5us3 1 . 3 . 1270 . 1 1 16 HIS CG C -3.459 7.372 3.119 . . . 1.0 . . . . . . . . . . . . A . 16 HIS CG . . . . . . . . . c30244_5us3 1 . 3 . 1271 . 1 1 16 HIS H H -1.660 5.965 4.958 . . . 1.0 . . . . . . . . . . . . A . 16 HIS H . . . . . . . . . c30244_5us3 1 . 3 . 1272 . 1 1 16 HIS HA H -3.775 4.747 3.587 . . . 1.0 . . . . . . . . . . . . A . 16 HIS HA . . . . . . . . . c30244_5us3 1 . 3 . 1273 . 1 1 16 HIS HB2 H -1.582 6.572 2.620 . . . 1.0 . . . . . . . . . . . . A . 16 HIS HB2 . . . . . . . . . c30244_5us3 1 . 3 . 1274 . 1 1 16 HIS HB3 H -2.903 6.043 1.591 . . . 1.0 . . . . . . . . . . . . A . 16 HIS HB3 . . . . . . . . . c30244_5us3 1 . 3 . 1275 . 1 1 16 HIS HD1 H -4.978 7.409 1.659 . . . 1.0 . . . . . . . . . . . . A . 16 HIS HD1 . . . . . . . . . c30244_5us3 1 . 3 . 1276 . 1 1 16 HIS HD2 H -2.531 8.121 4.943 . . . 1.0 . . . . . . . . . . . . A . 16 HIS HD2 . . . . . . . . . c30244_5us3 1 . 3 . 1277 . 1 1 16 HIS HE1 H -6.046 9.323 2.893 . . . 1.0 . . . . . . . . . . . . A . 16 HIS HE1 . . . . . . . . . c30244_5us3 1 . 3 . 1278 . 1 1 16 HIS HE2 H -4.494 9.799 4.820 . . . 1.0 . . . . . . . . . . . . A . 16 HIS HE2 . . . . . . . . . c30244_5us3 1 . 3 . 1279 . 1 1 16 HIS N N -2.103 5.116 4.749 . . . 1.0 . . . . . . . . . . . . A . 16 HIS N . . . . . . . . . c30244_5us3 1 . 3 . 1280 . 1 1 16 HIS ND1 N -4.609 7.791 2.483 . . . 1.0 . . . . . . . . . . . . A . 16 HIS ND1 . . . . . . . . . c30244_5us3 1 . 3 . 1281 . 1 1 16 HIS NE2 N -4.382 9.043 4.207 . . . 1.0 . . . . . . . . . . . . A . 16 HIS NE2 . . . . . . . . . c30244_5us3 1 . 3 . 1282 . 1 1 16 HIS O O -2.824 3.105 1.930 . . . 1.0 . . . . . . . . . . . . A . 16 HIS O . . . . . . . . . c30244_5us3 1 . 3 . 1283 . 1 1 17 LEU C C -0.366 1.176 2.859 . . . 1.0 . . . . . . . . . . . . A . 17 LEU C . . . . . . . . . c30244_5us3 1 . 3 . 1284 . 1 1 17 LEU CA C -0.096 2.497 2.142 . . . 1.0 . . . . . . . . . . . . A . 17 LEU CA . . . . . . . . . c30244_5us3 1 . 3 . 1285 . 1 1 17 LEU CB C 1.424 2.705 2.052 . . . 1.0 . . . . . . . . . . . . A . 17 LEU CB . . . . . . . . . c30244_5us3 1 . 3 . 1286 . 1 1 17 LEU CD1 C 2.134 1.395 -0.011 . . . 1.0 . . . . . . . . . . . . A . 17 LEU CD1 . . . . . . . . . c30244_5us3 1 . 3 . 1287 . 1 1 17 LEU CD2 C 3.643 1.519 1.976 . . . 1.0 . . . . . . . . . . . . A . 17 LEU CD2 . . . . . . . . . c30244_5us3 1 . 3 . 1288 . 1 1 17 LEU CG C 2.209 1.489 1.508 . . . 1.0 . . . . . . . . . . . . A . 17 LEU CG . . . . . . . . . c30244_5us3 1 . 3 . 1289 . 1 1 17 LEU H H -0.265 4.240 3.305 . . . 1.0 . . . . . . . . . . . . A . 17 LEU H . . . . . . . . . c30244_5us3 1 . 3 . 1290 . 1 1 17 LEU HA H -0.500 2.427 1.142 . . . 1.0 . . . . . . . . . . . . A . 17 LEU HA . . . . . . . . . c30244_5us3 1 . 3 . 1291 . 1 1 17 LEU HB2 H 1.623 3.557 1.421 . . . 1.0 . . . . . . . . . . . . A . 17 LEU HB2 . . . . . . . . . c30244_5us3 1 . 3 . 1292 . 1 1 17 LEU HB3 H 1.788 2.920 3.043 . . . 1.0 . . . . . . . . . . . . A . 17 LEU HB3 . . . . . . . . . c30244_5us3 1 . 3 . 1293 . 1 1 17 LEU HD11 H 2.781 2.138 -0.463 . . . 1.0 . . . . . . . . . . . . A . 17 LEU HD11 . . . . . . . . . c30244_5us3 1 . 3 . 1294 . 1 1 17 LEU HD12 H 1.112 1.567 -0.321 . . . 1.0 . . . . . . . . . . . . A . 17 LEU HD12 . . . . . . . . . c30244_5us3 1 . 3 . 1295 . 1 1 17 LEU HD13 H 2.438 0.394 -0.333 . . . 1.0 . . . . . . . . . . . . A . 17 LEU HD13 . . . . . . . . . c30244_5us3 1 . 3 . 1296 . 1 1 17 LEU HD21 H 4.141 0.619 1.643 . . . 1.0 . . . . . . . . . . . . A . 17 LEU HD21 . . . . . . . . . c30244_5us3 1 . 3 . 1297 . 1 1 17 LEU HD22 H 3.666 1.571 3.053 . . . 1.0 . . . . . . . . . . . . A . 17 LEU HD22 . . . . . . . . . c30244_5us3 1 . 3 . 1298 . 1 1 17 LEU HD23 H 4.139 2.383 1.558 . . . 1.0 . . . . . . . . . . . . A . 17 LEU HD23 . . . . . . . . . c30244_5us3 1 . 3 . 1299 . 1 1 17 LEU HG H 1.759 0.591 1.907 . . . 1.0 . . . . . . . . . . . . A . 17 LEU HG . . . . . . . . . c30244_5us3 1 . 3 . 1300 . 1 1 17 LEU N N -0.786 3.605 2.792 . . . 1.0 . . . . . . . . . . . . A . 17 LEU N . . . . . . . . . c30244_5us3 1 . 3 . 1301 . 1 1 17 LEU O O -0.410 0.142 2.214 . . . 1.0 . . . . . . . . . . . . A . 17 LEU O . . . . . . . . . c30244_5us3 1 . 3 . 1302 . 1 1 18 SER C C -2.057 -0.651 4.463 . . . 1.0 . . . . . . . . . . . . A . 18 SER C . . . . . . . . . c30244_5us3 1 . 3 . 1303 . 1 1 18 SER CA C -0.768 -0.006 4.972 . . . 1.0 . . . . . . . . . . . . A . 18 SER CA . . . . . . . . . c30244_5us3 1 . 3 . 1304 . 1 1 18 SER CB C -0.874 0.305 6.470 . . . 1.0 . . . . . . . . . . . . A . 18 SER CB . . . . . . . . . c30244_5us3 1 . 3 . 1305 . 1 1 18 SER H H -0.339 2.056 4.663 . . . 1.0 . . . . . . . . . . . . A . 18 SER H . . . . . . . . . c30244_5us3 1 . 3 . 1306 . 1 1 18 SER HA H 0.049 -0.696 4.814 . . . 1.0 . . . . . . . . . . . . A . 18 SER HA . . . . . . . . . c30244_5us3 1 . 3 . 1307 . 1 1 18 SER HB2 H -1.625 1.065 6.627 . . . 1.0 . . . . . . . . . . . . A . 18 SER HB2 . . . . . . . . . c30244_5us3 1 . 3 . 1308 . 1 1 18 SER HB3 H -1.154 -0.593 7.002 . . . 1.0 . . . . . . . . . . . . A . 18 SER HB3 . . . . . . . . . c30244_5us3 1 . 3 . 1309 . 1 1 18 SER HG H 1.008 0.061 6.952 . . . 1.0 . . . . . . . . . . . . A . 18 SER HG . . . . . . . . . c30244_5us3 1 . 3 . 1310 . 1 1 18 SER N N -0.479 1.208 4.195 . . . 1.0 . . . . . . . . . . . . A . 18 SER N . . . . . . . . . c30244_5us3 1 . 3 . 1311 . 1 1 18 SER O O -2.049 -1.808 4.030 . . . 1.0 . . . . . . . . . . . . A . 18 SER O . . . . . . . . . c30244_5us3 1 . 3 . 1312 . 1 1 18 SER OG O 0.362 0.770 6.983 . . . 1.0 . . . . . . . . . . . . A . 18 SER OG . . . . . . . . . c30244_5us3 1 . 3 . 1313 . 1 1 19 B3K C C -4.302 -0.041 1.441 . . . 1.0 . . . . . . . . . . . . A . 19 B3K C . . . . . . . . . c30244_5us3 1 . 3 . 1314 . 1 1 19 B3K CA C -4.857 0.450 2.757 . . . 1.0 . . . . . . . . . . . . A . 19 B3K CA . . . . . . . . . c30244_5us3 1 . 3 . 1315 . 1 1 19 B3K CB C -4.405 -0.359 3.976 . . . 1.0 . . . . . . . . . . . . A . 19 B3K CB . . . . . . . . . c30244_5us3 1 . 3 . 1316 . 1 1 19 B3K CD C -5.269 -1.040 6.305 . . . 1.0 . . . . . . . . . . . . A . 19 B3K CD . . . . . . . . . c30244_5us3 1 . 3 . 1317 . 1 1 19 B3K CE C -6.348 -0.798 7.348 . . . 1.0 . . . . . . . . . . . . A . 19 B3K CE . . . . . . . . . c30244_5us3 1 . 3 . 1318 . 1 1 19 B3K CF C -6.141 -1.668 8.577 . . . 1.0 . . . . . . . . . . . . A . 19 B3K CF . . . . . . . . . c30244_5us3 1 . 3 . 1319 . 1 1 19 B3K CG C -5.484 -0.178 5.067 . . . 1.0 . . . . . . . . . . . . A . 19 B3K CG . . . . . . . . . c30244_5us3 1 . 3 . 1320 . 1 1 19 B3K H H -3.076 1.056 4.802 . . . 1.0 . . . . . . . . . . . . A . 19 B3K H . . . . . . . . . c30244_5us3 1 . 3 . 1321 . 1 1 19 B3K HA1 H -5.934 0.418 2.695 . . . 1.0 . . . . . . . . . . . . A . 19 B3K HA1 . . . . . . . . . c30244_5us3 1 . 3 . 1322 . 1 1 19 B3K HA2 H -4.546 1.475 2.889 . . . 1.0 . . . . . . . . . . . . A . 19 B3K HA2 . . . . . . . . . c30244_5us3 1 . 3 . 1323 . 1 1 19 B3K HB H -4.238 -1.421 3.696 . . . 1.0 . . . . . . . . . . . . A . 19 B3K HB . . . . . . . . . c30244_5us3 1 . 3 . 1324 . 1 1 19 B3K HD2 H -4.306 -0.801 6.735 . . . 1.0 . . . . . . . . . . . . A . 19 B3K HD2 . . . . . . . . . c30244_5us3 1 . 3 . 1325 . 1 1 19 B3K HD3 H -5.289 -2.080 6.017 . . . 1.0 . . . . . . . . . . . . A . 19 B3K HD3 . . . . . . . . . c30244_5us3 1 . 3 . 1326 . 1 1 19 B3K HE2 H -7.312 -1.026 6.915 . . . 1.0 . . . . . . . . . . . . A . 19 B3K HE2 . . . . . . . . . c30244_5us3 1 . 3 . 1327 . 1 1 19 B3K HE3 H -6.322 0.240 7.645 . . . 1.0 . . . . . . . . . . . . A . 19 B3K HE3 . . . . . . . . . c30244_5us3 1 . 3 . 1328 . 1 1 19 B3K HF1 H -5.176 -1.437 9.007 . . . 1.0 . . . . . . . . . . . . A . 19 B3K HF1 . . . . . . . . . c30244_5us3 1 . 3 . 1329 . 1 1 19 B3K HF2 H -6.160 -2.704 8.276 . . . 1.0 . . . . . . . . . . . . A . 19 B3K HF2 . . . . . . . . . c30244_5us3 1 . 3 . 1330 . 1 1 19 B3K HG2 H -6.448 -0.430 4.649 . . . 1.0 . . . . . . . . . . . . A . 19 B3K HG2 . . . . . . . . . c30244_5us3 1 . 3 . 1331 . 1 1 19 B3K HG3 H -5.497 0.856 5.375 . . . 1.0 . . . . . . . . . . . . A . 19 B3K HG3 . . . . . . . . . c30244_5us3 1 . 3 . 1332 . 1 1 19 B3K HNZ1 H -7.189 -0.449 9.910 . . . 1.0 . . . . . . . . . . . . A . 19 B3K HNZ1 . . . . . . . . . c30244_5us3 1 . 3 . 1333 . 1 1 19 B3K HNZ2 H -7.027 -2.050 10.430 . . . 1.0 . . . . . . . . . . . . A . 19 B3K HNZ2 . . . . . . . . . c30244_5us3 1 . 3 . 1334 . 1 1 19 B3K N N -3.143 0.127 4.463 . . . 1.0 . . . . . . . . . . . . A . 19 B3K N . . . . . . . . . c30244_5us3 1 . 3 . 1335 . 1 1 19 B3K NZ N -7.195 -1.442 9.603 . . . 1.0 . . . . . . . . . . . . A . 19 B3K NZ . . . . . . . . . c30244_5us3 1 . 3 . 1336 . 1 1 19 B3K O O -4.744 -1.066 0.900 . . . 1.0 . . . . . . . . . . . . A . 19 B3K O . . . . . . . . . c30244_5us3 1 . 3 . 1337 . 1 1 20 HIS C C -2.112 -1.048 -0.470 . . . 1.0 . . . . . . . . . . . . A . 20 HIS C . . . . . . . . . c30244_5us3 1 . 3 . 1338 . 1 1 20 HIS CA C -2.629 0.393 -0.327 . . . 1.0 . . . . . . . . . . . . A . 20 HIS CA . . . . . . . . . c30244_5us3 1 . 3 . 1339 . 1 1 20 HIS CB C -1.478 1.349 -0.523 . . . 1.0 . . . . . . . . . . . . A . 20 HIS CB . . . . . . . . . c30244_5us3 1 . 3 . 1340 . 1 1 20 HIS CD2 C 0.222 0.328 -2.112 . . . 1.0 . . . . . . . . . . . . A . 20 HIS CD2 . . . . . . . . . c30244_5us3 1 . 3 . 1341 . 1 1 20 HIS CE1 C -0.464 1.168 -3.968 . . . 1.0 . . . . . . . . . . . . A . 20 HIS CE1 . . . . . . . . . c30244_5us3 1 . 3 . 1342 . 1 1 20 HIS CG C -0.811 1.133 -1.820 . . . 1.0 . . . . . . . . . . . . A . 20 HIS CG . . . . . . . . . c30244_5us3 1 . 3 . 1343 . 1 1 20 HIS H H -2.877 1.380 1.506 . . . 1.0 . . . . . . . . . . . . A . 20 HIS H . . . . . . . . . c30244_5us3 1 . 3 . 1344 . 1 1 20 HIS HA H -3.330 0.601 -1.096 . . . 1.0 . . . . . . . . . . . . A . 20 HIS HA . . . . . . . . . c30244_5us3 1 . 3 . 1345 . 1 1 20 HIS HB2 H -1.838 2.368 -0.482 . . . 1.0 . . . . . . . . . . . . A . 20 HIS HB2 . . . . . . . . . c30244_5us3 1 . 3 . 1346 . 1 1 20 HIS HB3 H -0.760 1.178 0.257 . . . 1.0 . . . . . . . . . . . . A . 20 HIS HB3 . . . . . . . . . c30244_5us3 1 . 3 . 1347 . 1 1 20 HIS HD1 H -1.974 2.306 -3.128 . . . 1.0 . . . . . . . . . . . . A . 20 HIS HD1 . . . . . . . . . c30244_5us3 1 . 3 . 1348 . 1 1 20 HIS HD2 H 0.753 -0.320 -1.408 . . . 1.0 . . . . . . . . . . . . A . 20 HIS HD2 . . . . . . . . . c30244_5us3 1 . 3 . 1349 . 1 1 20 HIS HE1 H -0.615 1.329 -5.017 . . . 1.0 . . . . . . . . . . . . A . 20 HIS HE1 . . . . . . . . . c30244_5us3 1 . 3 . 1350 . 1 1 20 HIS N N -3.263 0.666 0.956 . . . 1.0 . . . . . . . . . . . . A . 20 HIS N . . . . . . . . . c30244_5us3 1 . 3 . 1351 . 1 1 20 HIS ND1 N -1.237 1.672 -3.008 . . . 1.0 . . . . . . . . . . . . A . 20 HIS ND1 . . . . . . . . . c30244_5us3 1 . 3 . 1352 . 1 1 20 HIS NE2 N 0.440 0.360 -3.459 . . . 1.0 . . . . . . . . . . . . A . 20 HIS NE2 . . . . . . . . . c30244_5us3 1 . 3 . 1353 . 1 1 20 HIS O O -2.213 -1.657 -1.537 . . . 1.0 . . . . . . . . . . . . A . 20 HIS O . . . . . . . . . c30244_5us3 1 . 3 . 1354 . 1 1 21 ILE C C -1.860 -3.918 1.200 . . . 1.0 . . . . . . . . . . . . A . 21 ILE C . . . . . . . . . c30244_5us3 1 . 3 . 1355 . 1 1 21 ILE CA C -0.939 -2.881 0.562 . . . 1.0 . . . . . . . . . . . . A . 21 ILE CA . . . . . . . . . c30244_5us3 1 . 3 . 1356 . 1 1 21 ILE CB C 0.499 -2.896 1.151 . . . 1.0 . . . . . . . . . . . . A . 21 ILE CB . . . . . . . . . c30244_5us3 1 . 3 . 1357 . 1 1 21 ILE CD1 C 0.654 -3.995 3.456 . . . 1.0 . . . . . . . . . . . . A . 21 ILE CD1 . . . . . . . . . c30244_5us3 1 . 3 . 1358 . 1 1 21 ILE CG1 C 0.543 -2.701 2.678 . . . 1.0 . . . . . . . . . . . . A . 21 ILE CG1 . . . . . . . . . c30244_5us3 1 . 3 . 1359 . 1 1 21 ILE CG2 C 1.342 -1.864 0.464 . . . 1.0 . . . . . . . . . . . . A . 21 ILE CG2 . . . . . . . . . c30244_5us3 1 . 3 . 1360 . 1 1 21 ILE H H -1.429 -1.021 1.386 . . . 1.0 . . . . . . . . . . . . A . 21 ILE H . . . . . . . . . c30244_5us3 1 . 3 . 1361 . 1 1 21 ILE HA H -0.854 -3.136 -0.478 . . . 1.0 . . . . . . . . . . . . A . 21 ILE HA . . . . . . . . . c30244_5us3 1 . 3 . 1362 . 1 1 21 ILE HB H 0.933 -3.814 0.893 . . . 1.0 . . . . . . . . . . . . A . 21 ILE HB . . . . . . . . . c30244_5us3 1 . 3 . 1363 . 1 1 21 ILE HD11 H 0.679 -3.778 4.514 . . . 1.0 . . . . . . . . . . . . A . 21 ILE HD11 . . . . . . . . . c30244_5us3 1 . 3 . 1364 . 1 1 21 ILE HD12 H 1.561 -4.509 3.173 . . . 1.0 . . . . . . . . . . . . A . 21 ILE HD12 . . . . . . . . . c30244_5us3 1 . 3 . 1365 . 1 1 21 ILE HD13 H -0.197 -4.622 3.237 . . . 1.0 . . . . . . . . . . . . A . 21 ILE HD13 . . . . . . . . . c30244_5us3 1 . 3 . 1366 . 1 1 21 ILE HG12 H 1.396 -2.090 2.931 . . . 1.0 . . . . . . . . . . . . A . 21 ILE HG12 . . . . . . . . . c30244_5us3 1 . 3 . 1367 . 1 1 21 ILE HG13 H -0.359 -2.198 2.995 . . . 1.0 . . . . . . . . . . . . A . 21 ILE HG13 . . . . . . . . . c30244_5us3 1 . 3 . 1368 . 1 1 21 ILE HG21 H 2.289 -1.778 0.968 . . . 1.0 . . . . . . . . . . . . A . 21 ILE HG21 . . . . . . . . . c30244_5us3 1 . 3 . 1369 . 1 1 21 ILE HG22 H 0.824 -0.922 0.490 . . . 1.0 . . . . . . . . . . . . A . 21 ILE HG22 . . . . . . . . . c30244_5us3 1 . 3 . 1370 . 1 1 21 ILE HG23 H 1.499 -2.173 -0.559 . . . 1.0 . . . . . . . . . . . . A . 21 ILE HG23 . . . . . . . . . c30244_5us3 1 . 3 . 1371 . 1 1 21 ILE N N -1.509 -1.555 0.585 . . . 1.0 . . . . . . . . . . . . A . 21 ILE N . . . . . . . . . c30244_5us3 1 . 3 . 1372 . 1 1 21 ILE O O -1.650 -5.118 1.034 . . . 1.0 . . . . . . . . . . . . A . 21 ILE O . . . . . . . . . c30244_5us3 1 . 3 . 1373 . 1 1 22 B3K C C -5.419 -4.101 0.515 . . . 1.0 . . . . . . . . . . . . A . 22 B3K C . . . . . . . . . c30244_5us3 1 . 3 . 1374 . 1 1 22 B3K CA C -5.217 -3.919 2.012 . . . 1.0 . . . . . . . . . . . . A . 22 B3K CA . . . . . . . . . c30244_5us3 1 . 3 . 1375 . 1 1 22 B3K CB C -3.824 -4.302 2.541 . . . 1.0 . . . . . . . . . . . . A . 22 B3K CB . . . . . . . . . c30244_5us3 1 . 3 . 1376 . 1 1 22 B3K CD C -3.829 -5.421 4.844 . . . 1.0 . . . . . . . . . . . . A . 22 B3K CD . . . . . . . . . c30244_5us3 1 . 3 . 1377 . 1 1 22 B3K CE C -3.854 -5.181 6.346 . . . 1.0 . . . . . . . . . . . . A . 22 B3K CE . . . . . . . . . c30244_5us3 1 . 3 . 1378 . 1 1 22 B3K CF C -3.830 -6.488 7.119 . . . 1.0 . . . . . . . . . . . . A . 22 B3K CF . . . . . . . . . c30244_5us3 1 . 3 . 1379 . 1 1 22 B3K CG C -3.851 -4.112 4.069 . . . 1.0 . . . . . . . . . . . . A . 22 B3K CG . . . . . . . . . c30244_5us3 1 . 3 . 1380 . 1 1 22 B3K H H -2.860 -2.483 2.184 . . . 1.0 . . . . . . . . . . . . A . 22 B3K H . . . . . . . . . c30244_5us3 1 . 3 . 1381 . 1 1 22 B3K HA1 H -5.400 -2.880 2.244 . . . 1.0 . . . . . . . . . . . . A . 22 B3K HA1 . . . . . . . . . c30244_5us3 1 . 3 . 1382 . 1 1 22 B3K HA2 H -5.955 -4.522 2.520 . . . 1.0 . . . . . . . . . . . . A . 22 B3K HA2 . . . . . . . . . c30244_5us3 1 . 3 . 1383 . 1 1 22 B3K HB H -3.553 -5.334 2.230 . . . 1.0 . . . . . . . . . . . . A . 22 B3K HB . . . . . . . . . c30244_5us3 1 . 3 . 1384 . 1 1 22 B3K HD2 H -2.930 -5.963 4.591 . . . 1.0 . . . . . . . . . . . . A . 22 B3K HD2 . . . . . . . . . c30244_5us3 1 . 3 . 1385 . 1 1 22 B3K HD3 H -4.694 -6.006 4.569 . . . 1.0 . . . . . . . . . . . . A . 22 B3K HD3 . . . . . . . . . c30244_5us3 1 . 3 . 1386 . 1 1 22 B3K HE2 H -4.754 -4.639 6.598 . . . 1.0 . . . . . . . . . . . . A . 22 B3K HE2 . . . . . . . . . c30244_5us3 1 . 3 . 1387 . 1 1 22 B3K HE3 H -2.990 -4.595 6.621 . . . 1.0 . . . . . . . . . . . . A . 22 B3K HE3 . . . . . . . . . c30244_5us3 1 . 3 . 1388 . 1 1 22 B3K HF1 H -2.933 -7.030 6.859 . . . 1.0 . . . . . . . . . . . . A . 22 B3K HF1 . . . . . . . . . c30244_5us3 1 . 3 . 1389 . 1 1 22 B3K HF2 H -4.695 -7.073 6.842 . . . 1.0 . . . . . . . . . . . . A . 22 B3K HF2 . . . . . . . . . c30244_5us3 1 . 3 . 1390 . 1 1 22 B3K HG2 H -4.749 -3.578 4.339 . . . 1.0 . . . . . . . . . . . . A . 22 B3K HG2 . . . . . . . . . c30244_5us3 1 . 3 . 1391 . 1 1 22 B3K HG3 H -2.991 -3.529 4.365 . . . 1.0 . . . . . . . . . . . . A . 22 B3K HG3 . . . . . . . . . c30244_5us3 1 . 3 . 1392 . 1 1 22 B3K HNZ1 H -3.021 -5.706 8.879 . . . 1.0 . . . . . . . . . . . . A . 22 B3K HNZ1 . . . . . . . . . c30244_5us3 1 . 3 . 1393 . 1 1 22 B3K HNZ2 H -3.833 -7.174 9.093 . . . 1.0 . . . . . . . . . . . . A . 22 B3K HNZ2 . . . . . . . . . c30244_5us3 1 . 3 . 1394 . 1 1 22 B3K N N -2.840 -3.444 1.969 . . . 1.0 . . . . . . . . . . . . A . 22 B3K N . . . . . . . . . c30244_5us3 1 . 3 . 1395 . 1 1 22 B3K NZ N -3.850 -6.264 8.591 . . . 1.0 . . . . . . . . . . . . A . 22 B3K NZ . . . . . . . . . c30244_5us3 1 . 3 . 1396 . 1 1 22 B3K O O -6.314 -4.861 0.105 . . . 1.0 . . . . . . . . . . . . A . 22 B3K O . . . . . . . . . c30244_5us3 1 . 3 . 1397 . 1 1 23 THR C C -3.737 -4.541 -2.347 . . . 1.0 . . . . . . . . . . . . A . 23 THR C . . . . . . . . . c30244_5us3 1 . 3 . 1398 . 1 1 23 THR CA C -4.712 -3.524 -1.781 . . . 1.0 . . . . . . . . . . . . A . 23 THR CA . . . . . . . . . c30244_5us3 1 . 3 . 1399 . 1 1 23 THR CB C -4.558 -2.153 -2.503 . . . 1.0 . . . . . . . . . . . . A . 23 THR CB . . . . . . . . . c30244_5us3 1 . 3 . 1400 . 1 1 23 THR CG2 C -5.228 -2.176 -3.872 . . . 1.0 . . . . . . . . . . . . A . 23 THR CG2 . . . . . . . . . c30244_5us3 1 . 3 . 1401 . 1 1 23 THR H H -3.814 -2.913 0.061 . . . 1.0 . . . . . . . . . . . . A . 23 THR H . . . . . . . . . c30244_5us3 1 . 3 . 1402 . 1 1 23 THR HA H -5.707 -3.891 -1.972 . . . 1.0 . . . . . . . . . . . . A . 23 THR HA . . . . . . . . . c30244_5us3 1 . 3 . 1403 . 1 1 23 THR HB H -3.499 -1.933 -2.643 . . . 1.0 . . . . . . . . . . . . A . 23 THR HB . . . . . . . . . c30244_5us3 1 . 3 . 1404 . 1 1 23 THR HG1 H -6.026 -0.914 -2.052 . . . 1.0 . . . . . . . . . . . . A . 23 THR HG1 . . . . . . . . . c30244_5us3 1 . 3 . 1405 . 1 1 23 THR HG21 H -5.055 -1.237 -4.374 . . . 1.0 . . . . . . . . . . . . A . 23 THR HG21 . . . . . . . . . c30244_5us3 1 . 3 . 1406 . 1 1 23 THR HG22 H -6.290 -2.330 -3.748 . . . 1.0 . . . . . . . . . . . . A . 23 THR HG22 . . . . . . . . . c30244_5us3 1 . 3 . 1407 . 1 1 23 THR HG23 H -4.813 -2.983 -4.457 . . . 1.0 . . . . . . . . . . . . A . 23 THR HG23 . . . . . . . . . c30244_5us3 1 . 3 . 1408 . 1 1 23 THR N N -4.572 -3.433 -0.319 . . . 1.0 . . . . . . . . . . . . A . 23 THR N . . . . . . . . . c30244_5us3 1 . 3 . 1409 . 1 1 23 THR O O -4.128 -5.373 -3.172 . . . 1.0 . . . . . . . . . . . . A . 23 THR O . . . . . . . . . c30244_5us3 1 . 3 . 1410 . 1 1 23 THR OG1 O -5.149 -1.111 -1.716 . . . 1.0 . . . . . . . . . . . . A . 23 THR OG1 . . . . . . . . . c30244_5us3 1 . 3 . 1411 . 1 1 24 HIS C C -1.883 -6.841 -1.890 . . . 1.0 . . . . . . . . . . . . A . 24 HIS C . . . . . . . . . c30244_5us3 1 . 3 . 1412 . 1 1 24 HIS CA C -1.460 -5.468 -2.353 . . . 1.0 . . . . . . . . . . . . A . 24 HIS CA . . . . . . . . . c30244_5us3 1 . 3 . 1413 . 1 1 24 HIS CB C -0.078 -5.143 -1.806 . . . 1.0 . . . . . . . . . . . . A . 24 HIS CB . . . . . . . . . c30244_5us3 1 . 3 . 1414 . 1 1 24 HIS CD2 C 0.603 -2.856 -2.769 . . . 1.0 . . . . . . . . . . . . A . 24 HIS CD2 . . . . . . . . . c30244_5us3 1 . 3 . 1415 . 1 1 24 HIS CE1 C 2.057 -3.477 -4.216 . . . 1.0 . . . . . . . . . . . . A . 24 HIS CE1 . . . . . . . . . c30244_5us3 1 . 3 . 1416 . 1 1 24 HIS CG C 0.690 -4.201 -2.665 . . . 1.0 . . . . . . . . . . . . A . 24 HIS CG . . . . . . . . . c30244_5us3 1 . 3 . 1417 . 1 1 24 HIS H H -2.193 -3.741 -1.322 . . . 1.0 . . . . . . . . . . . . A . 24 HIS H . . . . . . . . . c30244_5us3 1 . 3 . 1418 . 1 1 24 HIS HA H -1.461 -5.456 -3.403 . . . 1.0 . . . . . . . . . . . . A . 24 HIS HA . . . . . . . . . c30244_5us3 1 . 3 . 1419 . 1 1 24 HIS HB2 H -0.200 -4.694 -0.833 . . . 1.0 . . . . . . . . . . . . A . 24 HIS HB2 . . . . . . . . . c30244_5us3 1 . 3 . 1420 . 1 1 24 HIS HB3 H 0.490 -6.055 -1.710 . . . 1.0 . . . . . . . . . . . . A . 24 HIS HB3 . . . . . . . . . c30244_5us3 1 . 3 . 1421 . 1 1 24 HIS HD1 H 1.982 -5.490 -3.749 . . . 1.0 . . . . . . . . . . . . A . 24 HIS HD1 . . . . . . . . . c30244_5us3 1 . 3 . 1422 . 1 1 24 HIS HD2 H 0.066 -2.185 -2.106 . . . 1.0 . . . . . . . . . . . . A . 24 HIS HD2 . . . . . . . . . c30244_5us3 1 . 3 . 1423 . 1 1 24 HIS HE1 H 2.852 -3.415 -4.939 . . . 1.0 . . . . . . . . . . . . A . 24 HIS HE1 . . . . . . . . . c30244_5us3 1 . 3 . 1424 . 1 1 24 HIS N N -2.463 -4.477 -1.916 . . . 1.0 . . . . . . . . . . . . A . 24 HIS N . . . . . . . . . c30244_5us3 1 . 3 . 1425 . 1 1 24 HIS ND1 N 1.640 -4.586 -3.599 . . . 1.0 . . . . . . . . . . . . A . 24 HIS ND1 . . . . . . . . . c30244_5us3 1 . 3 . 1426 . 1 1 24 HIS NE2 N 1.457 -2.444 -3.762 . . . 1.0 . . . . . . . . . . . . A . 24 HIS NE2 . . . . . . . . . c30244_5us3 1 . 3 . 1427 . 1 1 24 HIS O O -1.576 -7.876 -2.487 . . . 1.0 . . . . . . . . . . . . A . 24 HIS O . . . . . . . . . c30244_5us3 1 . 3 . 1428 . 1 1 25 . C C -5.742 -8.382 -0.084 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q C . . . . . . . . . c30244_5us3 1 . 3 . 1429 . 1 1 25 . CA C -4.631 -7.366 0.039 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q CA . . . . . . . . . c30244_5us3 1 . 3 . 1430 . 1 1 25 . CB C -3.222 -7.879 -0.153 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q CB . . . . . . . . . c30244_5us3 1 . 3 . 1431 . 1 1 25 . CD C -1.121 -8.704 1.067 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q CD . . . . . . . . . c30244_5us3 1 . 3 . 1432 . 1 1 25 . CE C -0.184 -8.021 2.045 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q CE . . . . . . . . . c30244_5us3 1 . 3 . 1433 . 1 1 25 . CG C -2.560 -8.210 1.192 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q CG . . . . . . . . . c30244_5us3 1 . 3 . 1434 . 1 1 25 . H11 H 0.183 -6.576 0.725 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q H11 . . . . . . . . . c30244_5us3 1 . 3 . 1435 . 1 1 25 . H12 H 1.003 -6.433 2.239 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q H12 . . . . . . . . . c30244_5us3 1 . 3 . 1436 . 1 1 25 . H8 H -0.774 -8.509 0.063 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q H8 . . . . . . . . . c30244_5us3 1 . 3 . 1437 . 1 1 25 . H9 H -1.098 -9.768 1.254 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q H9 . . . . . . . . . c30244_5us3 1 . 3 . 1438 . 1 1 25 . HA H -4.701 -6.901 1.007 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q HA . . . . . . . . . c30244_5us3 1 . 3 . 1439 . 1 1 25 . HAA H -4.778 -6.603 -0.731 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q HAA . . . . . . . . . c30244_5us3 1 . 3 . 1440 . 1 1 25 . HB H -3.214 -8.736 -0.811 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q HB . . . . . . . . . c30244_5us3 1 . 3 . 1441 . 1 1 25 . HG H -3.141 -8.975 1.687 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q HG . . . . . . . . . c30244_5us3 1 . 3 . 1442 . 1 1 25 . HGA H -2.555 -7.323 1.805 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q HGA . . . . . . . . . c30244_5us3 1 . 3 . 1443 . 1 1 25 . HN H -2.721 -5.865 -0.411 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q HN . . . . . . . . . c30244_5us3 1 . 3 . 1444 . 1 1 25 . N N -2.595 -6.769 -0.803 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q N . . . . . . . . . c30244_5us3 1 . 3 . 1445 . 1 1 25 . NF2 N 0.392 -6.897 1.627 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q NF2 . . . . . . . . . c30244_5us3 1 . 3 . 1446 . 1 1 25 . O O -5.512 -9.584 -0.267 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q O . . . . . . . . . c30244_5us3 1 . 3 . 1447 . 1 1 25 . OF1 O 0.019 -8.495 3.162 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q OF1 . . . . . . . . . c30244_5us3 1 . 3 . 1448 . 1 1 26 ASN C C -9.312 -7.910 -0.756 . . . 1.0 . . . . . . . . . . . . A . 26 ASN C . . . . . . . . . c30244_5us3 1 . 3 . 1449 . 1 1 26 ASN CA C -8.191 -8.678 -0.061 . . . 1.0 . . . . . . . . . . . . A . 26 ASN CA . . . . . . . . . c30244_5us3 1 . 3 . 1450 . 1 1 26 ASN CB C -8.654 -9.112 1.338 . . . 1.0 . . . . . . . . . . . . A . 26 ASN CB . . . . . . . . . c30244_5us3 1 . 3 . 1451 . 1 1 26 ASN CG C -7.735 -10.143 1.966 . . . 1.0 . . . . . . . . . . . . A . 26 ASN CG . . . . . . . . . c30244_5us3 1 . 3 . 1452 . 1 1 26 ASN H H -7.059 -6.884 0.156 . . . 1.0 . . . . . . . . . . . . A . 26 ASN H . . . . . . . . . c30244_5us3 1 . 3 . 1453 . 1 1 26 ASN HA H -7.959 -9.558 -0.643 . . . 1.0 . . . . . . . . . . . . A . 26 ASN HA . . . . . . . . . c30244_5us3 1 . 3 . 1454 . 1 1 26 ASN HB2 H -8.686 -8.247 1.983 . . . 1.0 . . . . . . . . . . . . A . 26 ASN HB2 . . . . . . . . . c30244_5us3 1 . 3 . 1455 . 1 1 26 ASN HB3 H -9.645 -9.537 1.265 . . . 1.0 . . . . . . . . . . . . A . 26 ASN HB3 . . . . . . . . . c30244_5us3 1 . 3 . 1456 . 1 1 26 ASN HD21 H -6.639 -8.702 2.787 . . . 1.0 . . . . . . . . . . . . A . 26 ASN HD21 . . . . . . . . . c30244_5us3 1 . 3 . 1457 . 1 1 26 ASN HD22 H -6.120 -10.317 3.113 . . . 1.0 . . . . . . . . . . . . A . 26 ASN HD22 . . . . . . . . . c30244_5us3 1 . 3 . 1458 . 1 1 26 ASN N N -6.972 -7.862 0.023 . . . 1.0 . . . . . . . . . . . . A . 26 ASN N . . . . . . . . . c30244_5us3 1 . 3 . 1459 . 1 1 26 ASN ND2 N -6.729 -9.673 2.696 . . . 1.0 . . . . . . . . . . . . A . 26 ASN ND2 . . . . . . . . . c30244_5us3 1 . 3 . 1460 . 1 1 26 ASN O O -9.348 -6.676 -0.714 . . . 1.0 . . . . . . . . . . . . A . 26 ASN O . . . . . . . . . c30244_5us3 1 . 3 . 1461 . 1 1 26 ASN OD1 O -7.926 -11.347 1.796 . . . 1.0 . . . . . . . . . . . . A . 26 ASN OD1 . . . . . . . . . c30244_5us3 1 . 3 . 1462 . 1 1 27 LYS C C -12.628 -8.100 -1.243 . . . 1.0 . . . . . . . . . . . . A . 27 LYS C . . . . . . . . . c30244_5us3 1 . 3 . 1463 . 1 1 27 LYS CA C -11.361 -8.060 -2.101 . . . 1.0 . . . . . . . . . . . . A . 27 LYS CA . . . . . . . . . c30244_5us3 1 . 3 . 1464 . 1 1 27 LYS CB C -11.607 -8.784 -3.430 . . . 1.0 . . . . . . . . . . . . A . 27 LYS CB . . . . . . . . . c30244_5us3 1 . 3 . 1465 . 1 1 27 LYS CD C -10.903 -9.167 -5.814 . . . 1.0 . . . . . . . . . . . . A . 27 LYS CD . . . . . . . . . c30244_5us3 1 . 3 . 1466 . 1 1 27 LYS CE C -9.913 -8.802 -6.913 . . . 1.0 . . . . . . . . . . . . A . 27 LYS CE . . . . . . . . . c30244_5us3 1 . 3 . 1467 . 1 1 27 LYS CG C -10.590 -8.446 -4.511 . . . 1.0 . . . . . . . . . . . . A . 27 LYS CG . . . . . . . . . c30244_5us3 1 . 3 . 1468 . 1 1 27 LYS H H -10.127 -9.628 -1.385 . . . 1.0 . . . . . . . . . . . . A . 27 LYS H . . . . . . . . . c30244_5us3 1 . 3 . 1469 . 1 1 27 LYS HA H -11.117 -7.029 -2.306 . . . 1.0 . . . . . . . . . . . . A . 27 LYS HA . . . . . . . . . c30244_5us3 1 . 3 . 1470 . 1 1 27 LYS HB2 H -11.574 -9.850 -3.257 . . . 1.0 . . . . . . . . . . . . A . 27 LYS HB2 . . . . . . . . . c30244_5us3 1 . 3 . 1471 . 1 1 27 LYS HB3 H -12.588 -8.519 -3.794 . . . 1.0 . . . . . . . . . . . . A . 27 LYS HB3 . . . . . . . . . c30244_5us3 1 . 3 . 1472 . 1 1 27 LYS HD2 H -10.858 -10.232 -5.644 . . . 1.0 . . . . . . . . . . . . A . 27 LYS HD2 . . . . . . . . . c30244_5us3 1 . 3 . 1473 . 1 1 27 LYS HD3 H -11.898 -8.894 -6.134 . . . 1.0 . . . . . . . . . . . . A . 27 LYS HD3 . . . . . . . . . c30244_5us3 1 . 3 . 1474 . 1 1 27 LYS HE2 H -10.307 -9.139 -7.859 . . . 1.0 . . . . . . . . . . . . A . 27 LYS HE2 . . . . . . . . . c30244_5us3 1 . 3 . 1475 . 1 1 27 LYS HE3 H -9.800 -7.728 -6.934 . . . 1.0 . . . . . . . . . . . . A . 27 LYS HE3 . . . . . . . . . c30244_5us3 1 . 3 . 1476 . 1 1 27 LYS HG2 H -10.608 -7.380 -4.687 . . . 1.0 . . . . . . . . . . . . A . 27 LYS HG2 . . . . . . . . . c30244_5us3 1 . 3 . 1477 . 1 1 27 LYS HG3 H -9.608 -8.741 -4.173 . . . 1.0 . . . . . . . . . . . . A . 27 LYS HG3 . . . . . . . . . c30244_5us3 1 . 3 . 1478 . 1 1 27 LYS HZ1 H -8.176 -9.110 -5.791 . . . 1.0 . . . . . . . . . . . . A . 27 LYS HZ1 . . . . . . . . . c30244_5us3 1 . 3 . 1479 . 1 1 27 LYS HZ2 H -7.928 -9.156 -7.463 . . . 1.0 . . . . . . . . . . . . A . 27 LYS HZ2 . . . . . . . . . c30244_5us3 1 . 3 . 1480 . 1 1 27 LYS HZ3 H -8.664 -10.463 -6.682 . . . 1.0 . . . . . . . . . . . . A . 27 LYS HZ3 . . . . . . . . . c30244_5us3 1 . 3 . 1481 . 1 1 27 LYS N N -10.223 -8.654 -1.392 . . . 1.0 . . . . . . . . . . . . A . 27 LYS N . . . . . . . . . c30244_5us3 1 . 3 . 1482 . 1 1 27 LYS NZ N -8.577 -9.426 -6.697 . . . 1.0 . . . . . . . . . . . . A . 27 LYS NZ . . . . . . . . . c30244_5us3 1 . 3 . 1483 . 1 1 27 LYS O O -13.390 -7.129 -1.212 . . . 1.0 . . . . . . . . . . . . A . 27 LYS O . . . . . . . . . c30244_5us3 1 . 3 . 1484 . 1 1 28 LYS C C -13.583 -9.687 1.754 . . . 1.0 . . . . . . . . . . . . A . 28 LYS C . . . . . . . . . c30244_5us3 1 . 3 . 1485 . 1 1 28 LYS CA C -14.010 -9.405 0.314 . . . 1.0 . . . . . . . . . . . . A . 28 LYS CA . . . . . . . . . c30244_5us3 1 . 3 . 1486 . 1 1 28 LYS CB C -14.901 -10.540 -0.209 . . . 1.0 . . . . . . . . . . . . A . 28 LYS CB . . . . . . . . . c30244_5us3 1 . 3 . 1487 . 1 1 28 LYS CD C -16.576 -11.328 -1.910 . . . 1.0 . . . . . . . . . . . . A . 28 LYS CD . . . . . . . . . c30244_5us3 1 . 3 . 1488 . 1 1 28 LYS CE C -17.383 -10.957 -3.143 . . . 1.0 . . . . . . . . . . . . A . 28 LYS CE . . . . . . . . . c30244_5us3 1 . 3 . 1489 . 1 1 28 LYS CG C -15.694 -10.175 -1.455 . . . 1.0 . . . . . . . . . . . . A . 28 LYS CG . . . . . . . . . c30244_5us3 1 . 3 . 1490 . 1 1 28 LYS H H -12.192 -9.956 -0.625 . . . 1.0 . . . . . . . . . . . . A . 28 LYS H . . . . . . . . . c30244_5us3 1 . 3 . 1491 . 1 1 28 LYS HA H -14.573 -8.483 0.296 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HA . . . . . . . . . c30244_5us3 1 . 3 . 1492 . 1 1 28 LYS HB2 H -14.278 -11.391 -0.443 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HB2 . . . . . . . . . c30244_5us3 1 . 3 . 1493 . 1 1 28 LYS HB3 H -15.598 -10.820 0.568 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HB3 . . . . . . . . . c30244_5us3 1 . 3 . 1494 . 1 1 28 LYS HD2 H -15.950 -12.176 -2.143 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HD2 . . . . . . . . . c30244_5us3 1 . 3 . 1495 . 1 1 28 LYS HD3 H -17.254 -11.587 -1.110 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HD3 . . . . . . . . . c30244_5us3 1 . 3 . 1496 . 1 1 28 LYS HE2 H -18.002 -10.103 -2.910 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HE2 . . . . . . . . . c30244_5us3 1 . 3 . 1497 . 1 1 28 LYS HE3 H -16.701 -10.700 -3.940 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HE3 . . . . . . . . . c30244_5us3 1 . 3 . 1498 . 1 1 28 LYS HG2 H -16.320 -9.323 -1.235 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HG2 . . . . . . . . . c30244_5us3 1 . 3 . 1499 . 1 1 28 LYS HG3 H -15.006 -9.925 -2.248 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HG3 . . . . . . . . . c30244_5us3 1 . 3 . 1500 . 1 1 28 LYS HZ1 H -17.677 -12.908 -3.831 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HZ1 . . . . . . . . . c30244_5us3 1 . 3 . 1501 . 1 1 28 LYS HZ2 H -18.796 -11.793 -4.435 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HZ2 . . . . . . . . . c30244_5us3 1 . 3 . 1502 . 1 1 28 LYS HZ3 H -18.923 -12.336 -2.838 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HZ3 . . . . . . . . . c30244_5us3 1 . 3 . 1503 . 1 1 28 LYS N N -12.841 -9.227 -0.551 . . . 1.0 . . . . . . . . . . . . A . 28 LYS N . . . . . . . . . c30244_5us3 1 . 3 . 1504 . 1 1 28 LYS NZ N -18.256 -12.077 -3.593 . . . 1.0 . . . . . . . . . . . . A . 28 LYS NZ . . . . . . . . . c30244_5us3 1 . 3 . 1505 . 1 1 28 LYS O O -12.946 -10.703 2.043 . . . 1.0 . . . . . . . . . . . . A . 28 LYS O . . . . . . . . . c30244_5us3 1 . 3 . 1506 . 1 1 29 NH2 HN1 H -14.431 -7.993 2.353 . . . 1.0 . . . . . . . . . . . . A . 29 NH2 HN1 . . . . . . . . . c30244_5us3 1 . 3 . 1507 . 1 1 29 NH2 HN2 H -13.658 -8.922 3.588 . . . 1.0 . . . . . . . . . . . . A . 29 NH2 HN2 . . . . . . . . . c30244_5us3 1 . 3 . 1508 . 1 1 29 NH2 N N -13.925 -8.776 2.656 . . . 1.0 . . . . . . . . . . . . A . 29 NH2 N . . . . . . . . . c30244_5us3 1 . 3 . 1509 . 2 2 1 ZN ZN Zn 1.800 -0.682 -4.351 . . . 1.0 . . . . . . . . . . . . A . 101 ZN ZN . . . . . . . . . c30244_5us3 1 . 4 . 1510 . 1 1 1 LYS C C 8.045 3.032 5.184 . . . 1.0 . . . . . . . . . . . . A . 1 LYS C . . . . . . . . . c30244_5us3 1 . 4 . 1511 . 1 1 1 LYS CA C 8.971 2.140 6.012 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CA . . . . . . . . . c30244_5us3 1 . 4 . 1512 . 1 1 1 LYS CB C 9.538 2.933 7.198 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CB . . . . . . . . . c30244_5us3 1 . 4 . 1513 . 1 1 1 LYS CD C 10.770 2.908 9.389 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CD . . . . . . . . . c30244_5us3 1 . 4 . 1514 . 1 1 1 LYS CE C 11.437 2.043 10.446 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CE . . . . . . . . . c30244_5us3 1 . 4 . 1515 . 1 1 1 LYS CG C 10.191 2.065 8.265 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CG . . . . . . . . . c30244_5us3 1 . 4 . 1516 . 1 1 1 LYS H1 H 9.687 1.023 4.399 . . . 1.0 . . . . . . . . . . . . A . 1 LYS H1 . . . . . . . . . c30244_5us3 1 . 4 . 1517 . 1 1 1 LYS H2 H 10.695 0.989 5.756 . . . 1.0 . . . . . . . . . . . . A . 1 LYS H2 . . . . . . . . . c30244_5us3 1 . 4 . 1518 . 1 1 1 LYS H3 H 10.641 2.368 4.779 . . . 1.0 . . . . . . . . . . . . A . 1 LYS H3 . . . . . . . . . c30244_5us3 1 . 4 . 1519 . 1 1 1 LYS HA H 8.395 1.309 6.392 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HA . . . . . . . . . c30244_5us3 1 . 4 . 1520 . 1 1 1 LYS HB2 H 10.277 3.628 6.830 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HB2 . . . . . . . . . c30244_5us3 1 . 4 . 1521 . 1 1 1 LYS HB3 H 8.735 3.488 7.661 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HB3 . . . . . . . . . c30244_5us3 1 . 4 . 1522 . 1 1 1 LYS HD2 H 11.503 3.586 8.979 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HD2 . . . . . . . . . c30244_5us3 1 . 4 . 1523 . 1 1 1 LYS HD3 H 9.971 3.472 9.850 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HD3 . . . . . . . . . c30244_5us3 1 . 4 . 1524 . 1 1 1 LYS HE2 H 10.701 1.370 10.860 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HE2 . . . . . . . . . c30244_5us3 1 . 4 . 1525 . 1 1 1 LYS HE3 H 12.225 1.471 9.979 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HE3 . . . . . . . . . c30244_5us3 1 . 4 . 1526 . 1 1 1 LYS HG2 H 9.451 1.395 8.673 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HG2 . . . . . . . . . c30244_5us3 1 . 4 . 1527 . 1 1 1 LYS HG3 H 10.987 1.493 7.810 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HG3 . . . . . . . . . c30244_5us3 1 . 4 . 1528 . 1 1 1 LYS HZ1 H 12.463 2.241 12.255 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HZ1 . . . . . . . . . c30244_5us3 1 . 4 . 1529 . 1 1 1 LYS HZ2 H 11.271 3.417 12.012 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HZ2 . . . . . . . . . c30244_5us3 1 . 4 . 1530 . 1 1 1 LYS HZ3 H 12.735 3.511 11.169 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HZ3 . . . . . . . . . c30244_5us3 1 . 4 . 1531 . 1 1 1 LYS N N 10.076 1.592 5.178 . . . 1.0 . . . . . . . . . . . . A . 1 LYS N . . . . . . . . . c30244_5us3 1 . 4 . 1532 . 1 1 1 LYS NZ N 12.017 2.860 11.547 . . . 1.0 . . . . . . . . . . . . A . 1 LYS NZ . . . . . . . . . c30244_5us3 1 . 4 . 1533 . 1 1 1 LYS O O 6.820 2.926 5.288 . . . 1.0 . . . . . . . . . . . . A . 1 LYS O . . . . . . . . . c30244_5us3 1 . 4 . 1534 . 1 1 2 TYR C C 7.739 4.255 2.084 . . . 1.0 . . . . . . . . . . . . A . 2 TYR C . . . . . . . . . c30244_5us3 1 . 4 . 1535 . 1 1 2 TYR CA C 7.888 4.824 3.506 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CA . . . . . . . . . c30244_5us3 1 . 4 . 1536 . 1 1 2 TYR CB C 8.589 6.186 3.456 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CB . . . . . . . . . c30244_5us3 1 . 4 . 1537 . 1 1 2 TYR CD1 C 7.384 7.873 4.898 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CD1 . . . . . . . . . c30244_5us3 1 . 4 . 1538 . 1 1 2 TYR CD2 C 9.373 6.877 5.756 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CD2 . . . . . . . . . c30244_5us3 1 . 4 . 1539 . 1 1 2 TYR CE1 C 7.250 8.614 6.058 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CE1 . . . . . . . . . c30244_5us3 1 . 4 . 1540 . 1 1 2 TYR CE2 C 9.245 7.613 6.918 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CE2 . . . . . . . . . c30244_5us3 1 . 4 . 1541 . 1 1 2 TYR CG C 8.446 6.994 4.727 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CG . . . . . . . . . c30244_5us3 1 . 4 . 1542 . 1 1 2 TYR CZ C 8.182 8.480 7.064 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CZ . . . . . . . . . c30244_5us3 1 . 4 . 1543 . 1 1 2 TYR H H 9.622 3.929 4.331 . . . 1.0 . . . . . . . . . . . . A . 2 TYR H . . . . . . . . . c30244_5us3 1 . 4 . 1544 . 1 1 2 TYR HA H 6.908 4.948 3.940 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HA . . . . . . . . . c30244_5us3 1 . 4 . 1545 . 1 1 2 TYR HB2 H 9.644 6.031 3.281 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HB2 . . . . . . . . . c30244_5us3 1 . 4 . 1546 . 1 1 2 TYR HB3 H 8.179 6.767 2.643 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HB3 . . . . . . . . . c30244_5us3 1 . 4 . 1547 . 1 1 2 TYR HD1 H 6.654 7.975 4.108 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HD1 . . . . . . . . . c30244_5us3 1 . 4 . 1548 . 1 1 2 TYR HD2 H 10.205 6.198 5.638 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HD2 . . . . . . . . . c30244_5us3 1 . 4 . 1549 . 1 1 2 TYR HE1 H 6.417 9.291 6.171 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HE1 . . . . . . . . . c30244_5us3 1 . 4 . 1550 . 1 1 2 TYR HE2 H 9.976 7.509 7.705 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HE2 . . . . . . . . . c30244_5us3 1 . 4 . 1551 . 1 1 2 TYR HH H 8.904 9.589 8.459 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HH . . . . . . . . . c30244_5us3 1 . 4 . 1552 . 1 1 2 TYR N N 8.643 3.904 4.361 . . . 1.0 . . . . . . . . . . . . A . 2 TYR N . . . . . . . . . c30244_5us3 1 . 4 . 1553 . 1 1 2 TYR O O 8.610 3.495 1.650 . . . 1.0 . . . . . . . . . . . . A . 2 TYR O . . . . . . . . . c30244_5us3 1 . 4 . 1554 . 1 1 2 TYR OH O 8.053 9.214 8.219 . . . 1.0 . . . . . . . . . . . . A . 2 TYR OH . . . . . . . . . c30244_5us3 1 . 4 . 1555 . 1 1 3 . C C 6.069 2.626 -0.111 . . . 1.0 . . . . . . . . . . . . A . 3 MAA C . . . . . . . . . c30244_5us3 1 . 4 . 1556 . 1 1 3 . CA C 6.404 4.097 -0.068 . . . 1.0 . . . . . . . . . . . . A . 3 MAA CA . . . . . . . . . c30244_5us3 1 . 4 . 1557 . 1 1 3 . CB C 7.616 4.306 -0.958 . . . 1.0 . . . . . . . . . . . . A . 3 MAA CB . . . . . . . . . c30244_5us3 1 . 4 . 1558 . 1 1 3 . CM C 5.556 5.454 1.902 . . . 1.0 . . . . . . . . . . . . A . 3 MAA CM . . . . . . . . . c30244_5us3 1 . 4 . 1559 . 1 1 3 . HA H 5.573 4.626 -0.544 . . . 1.0 . . . . . . . . . . . . A . 3 MAA HA . . . . . . . . . c30244_5us3 1 . 4 . 1560 . 1 1 3 . HB1 H 8.493 3.924 -0.463 . . . 1.0 . . . . . . . . . . . . A . 3 MAA HB1 . . . . . . . . . c30244_5us3 1 . 4 . 1561 . 1 1 3 . HB2 H 7.739 5.355 -1.168 . . . 1.0 . . . . . . . . . . . . A . 3 MAA HB2 . . . . . . . . . c30244_5us3 1 . 4 . 1562 . 1 1 3 . HB3 H 7.455 3.757 -1.878 . . . 1.0 . . . . . . . . . . . . A . 3 MAA HB3 . . . . . . . . . c30244_5us3 1 . 4 . 1563 . 1 1 3 . HM1 H 5.005 4.894 2.644 . . . 1.0 . . . . . . . . . . . . A . 3 MAA HM1 . . . . . . . . . c30244_5us3 1 . 4 . 1564 . 1 1 3 . HM2 H 4.881 5.771 1.121 . . . 1.0 . . . . . . . . . . . . A . 3 MAA HM2 . . . . . . . . . c30244_5us3 1 . 4 . 1565 . 1 1 3 . HM3 H 5.998 6.322 2.366 . . . 1.0 . . . . . . . . . . . . A . 3 MAA HM3 . . . . . . . . . c30244_5us3 1 . 4 . 1566 . 1 1 3 . N N 6.622 4.594 1.325 . . . 1.0 . . . . . . . . . . . . A . 3 MAA N . . . . . . . . . c30244_5us3 1 . 4 . 1567 . 1 1 3 . O O 6.351 1.865 0.818 . . . 1.0 . . . . . . . . . . . . A . 3 MAA O . . . . . . . . . c30244_5us3 1 . 4 . 1568 . 1 1 4 CYS C C 6.225 -0.071 -1.711 . . . 1.0 . . . . . . . . . . . . A . 4 CYS C . . . . . . . . . c30244_5us3 1 . 4 . 1569 . 1 1 4 CYS CA C 5.082 0.917 -1.563 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CA . . . . . . . . . c30244_5us3 1 . 4 . 1570 . 1 1 4 CYS CB C 4.272 1.002 -2.814 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CB . . . . . . . . . c30244_5us3 1 . 4 . 1571 . 1 1 4 CYS H H 5.373 2.950 -1.931 . . . 1.0 . . . . . . . . . . . . A . 4 CYS H . . . . . . . . . c30244_5us3 1 . 4 . 1572 . 1 1 4 CYS HA H 4.454 0.544 -0.783 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HA . . . . . . . . . c30244_5us3 1 . 4 . 1573 . 1 1 4 CYS HB2 H 3.324 1.486 -2.596 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB2 . . . . . . . . . c30244_5us3 1 . 4 . 1574 . 1 1 4 CYS HB3 H 4.813 1.593 -3.529 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB3 . . . . . . . . . c30244_5us3 1 . 4 . 1575 . 1 1 4 CYS N N 5.509 2.260 -1.249 . . . 1.0 . . . . . . . . . . . . A . 4 CYS N . . . . . . . . . c30244_5us3 1 . 4 . 1576 . 1 1 4 CYS O O 7.306 0.259 -2.206 . . . 1.0 . . . . . . . . . . . . A . 4 CYS O . . . . . . . . . c30244_5us3 1 . 4 . 1577 . 1 1 4 CYS SG S 3.939 -0.580 -3.566 . . . 1.0 . . . . . . . . . . . . A . 4 CYS SG . . . . . . . . . c30244_5us3 1 . 4 . 1578 . 1 1 5 PRO C C 6.960 -3.256 -2.572 . . . 1.0 . . . . . . . . . . . . A . 5 PRO C . . . . . . . . . c30244_5us3 1 . 4 . 1579 . 1 1 5 PRO CA C 6.923 -2.414 -1.286 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CA . . . . . . . . . c30244_5us3 1 . 4 . 1580 . 1 1 5 PRO CB C 6.384 -3.233 -0.125 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CB . . . . . . . . . c30244_5us3 1 . 4 . 1581 . 1 1 5 PRO CD C 4.666 -1.748 -0.631 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CD . . . . . . . . . c30244_5us3 1 . 4 . 1582 . 1 1 5 PRO CG C 4.918 -3.184 -0.341 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CG . . . . . . . . . c30244_5us3 1 . 4 . 1583 . 1 1 5 PRO HA H 7.912 -2.073 -1.055 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HA . . . . . . . . . c30244_5us3 1 . 4 . 1584 . 1 1 5 PRO HB2 H 6.766 -4.242 -0.154 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HB2 . . . . . . . . . c30244_5us3 1 . 4 . 1585 . 1 1 5 PRO HB3 H 6.625 -2.743 0.803 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HB3 . . . . . . . . . c30244_5us3 1 . 4 . 1586 . 1 1 5 PRO HD2 H 3.835 -1.637 -1.315 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HD2 . . . . . . . . . c30244_5us3 1 . 4 . 1587 . 1 1 5 PRO HD3 H 4.486 -1.208 0.286 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HD3 . . . . . . . . . c30244_5us3 1 . 4 . 1588 . 1 1 5 PRO HG2 H 4.650 -3.788 -1.199 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HG2 . . . . . . . . . c30244_5us3 1 . 4 . 1589 . 1 1 5 PRO HG3 H 4.385 -3.489 0.542 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HG3 . . . . . . . . . c30244_5us3 1 . 4 . 1590 . 1 1 5 PRO N N 5.955 -1.314 -1.265 . . . 1.0 . . . . . . . . . . . . A . 5 PRO N . . . . . . . . . c30244_5us3 1 . 4 . 1591 . 1 1 5 PRO O O 7.972 -3.913 -2.841 . . . 1.0 . . . . . . . . . . . . A . 5 PRO O . . . . . . . . . c30244_5us3 1 . 4 . 1592 . 1 1 6 GLU C C 5.473 -3.284 -5.840 . . . 1.0 . . . . . . . . . . . . A . 6 GLU C . . . . . . . . . c30244_5us3 1 . 4 . 1593 . 1 1 6 GLU CA C 5.840 -4.074 -4.585 . . . 1.0 . . . . . . . . . . . . A . 6 GLU CA . . . . . . . . . c30244_5us3 1 . 4 . 1594 . 1 1 6 GLU CB C 4.920 -5.313 -4.453 . . . 1.0 . . . . . . . . . . . . A . 6 GLU CB . . . . . . . . . c30244_5us3 1 . 4 . 1595 . 1 1 6 GLU CD C 4.278 -7.251 -2.960 . . . 1.0 . . . . . . . . . . . . A . 6 GLU CD . . . . . . . . . c30244_5us3 1 . 4 . 1596 . 1 1 6 GLU CG C 4.664 -5.786 -3.026 . . . 1.0 . . . . . . . . . . . . A . 6 GLU CG . . . . . . . . . c30244_5us3 1 . 4 . 1597 . 1 1 6 GLU H H 5.119 -2.631 -3.136 . . . 1.0 . . . . . . . . . . . . A . 6 GLU H . . . . . . . . . c30244_5us3 1 . 4 . 1598 . 1 1 6 GLU HA H 6.843 -4.436 -4.723 . . . 1.0 . . . . . . . . . . . . A . 6 GLU HA . . . . . . . . . c30244_5us3 1 . 4 . 1599 . 1 1 6 GLU HB2 H 3.971 -5.094 -4.908 . . . 1.0 . . . . . . . . . . . . A . 6 GLU HB2 . . . . . . . . . c30244_5us3 1 . 4 . 1600 . 1 1 6 GLU HB3 H 5.375 -6.130 -4.995 . . . 1.0 . . . . . . . . . . . . A . 6 GLU HB3 . . . . . . . . . c30244_5us3 1 . 4 . 1601 . 1 1 6 GLU HG2 H 5.558 -5.635 -2.441 . . . 1.0 . . . . . . . . . . . . A . 6 GLU HG2 . . . . . . . . . c30244_5us3 1 . 4 . 1602 . 1 1 6 GLU HG3 H 3.858 -5.200 -2.611 . . . 1.0 . . . . . . . . . . . . A . 6 GLU HG3 . . . . . . . . . c30244_5us3 1 . 4 . 1603 . 1 1 6 GLU N N 5.876 -3.239 -3.360 . . . 1.0 . . . . . . . . . . . . A . 6 GLU N . . . . . . . . . c30244_5us3 1 . 4 . 1604 . 1 1 6 GLU O O 5.749 -3.743 -6.953 . . . 1.0 . . . . . . . . . . . . A . 6 GLU O . . . . . . . . . c30244_5us3 1 . 4 . 1605 . 1 1 6 GLU OE1 O 5.178 -8.094 -2.766 . . . 1.0 . . . . . . . . . . . . A . 6 GLU OE1 . . . . . . . . . c30244_5us3 1 . 4 . 1606 . 1 1 6 GLU OE2 O 3.075 -7.555 -3.103 . . . 1.0 . . . . . . . . . . . . A . 6 GLU OE2 . . . . . . . . . c30244_5us3 1 . 4 . 1607 . 1 1 7 CYS C C 4.769 0.222 -6.577 . . . 1.0 . . . . . . . . . . . . A . 7 CYS C . . . . . . . . . c30244_5us3 1 . 4 . 1608 . 1 1 7 CYS CA C 4.500 -1.274 -6.830 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CA . . . . . . . . . c30244_5us3 1 . 4 . 1609 . 1 1 7 CYS CB C 3.067 -1.496 -7.355 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CB . . . . . . . . . c30244_5us3 1 . 4 . 1610 . 1 1 7 CYS H H 4.689 -1.787 -4.757 . . . 1.0 . . . . . . . . . . . . A . 7 CYS H . . . . . . . . . c30244_5us3 1 . 4 . 1611 . 1 1 7 CYS HA H 5.166 -1.593 -7.602 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HA . . . . . . . . . c30244_5us3 1 . 4 . 1612 . 1 1 7 CYS HB2 H 3.053 -1.213 -8.392 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB2 . . . . . . . . . c30244_5us3 1 . 4 . 1613 . 1 1 7 CYS HB3 H 2.821 -2.540 -7.269 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB3 . . . . . . . . . c30244_5us3 1 . 4 . 1614 . 1 1 7 CYS N N 4.858 -2.109 -5.672 . . . 1.0 . . . . . . . . . . . . A . 7 CYS N . . . . . . . . . c30244_5us3 1 . 4 . 1615 . 1 1 7 CYS O O 4.147 0.822 -5.711 . . . 1.0 . . . . . . . . . . . . A . 7 CYS O . . . . . . . . . c30244_5us3 1 . 4 . 1616 . 1 1 7 CYS SG S 1.738 -0.545 -6.565 . . . 1.0 . . . . . . . . . . . . A . 7 CYS SG . . . . . . . . . c30244_5us3 1 . 4 . 1617 . 1 1 8 PRO C C 4.929 3.287 -7.349 . . . 1.0 . . . . . . . . . . . . A . 8 PRO C . . . . . . . . . c30244_5us3 1 . 4 . 1618 . 1 1 8 PRO CA C 6.091 2.276 -7.262 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CA . . . . . . . . . c30244_5us3 1 . 4 . 1619 . 1 1 8 PRO CB C 7.054 2.461 -8.445 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CB . . . . . . . . . c30244_5us3 1 . 4 . 1620 . 1 1 8 PRO CD C 6.448 0.165 -8.424 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CD . . . . . . . . . c30244_5us3 1 . 4 . 1621 . 1 1 8 PRO CG C 7.575 1.104 -8.735 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CG . . . . . . . . . c30244_5us3 1 . 4 . 1622 . 1 1 8 PRO HA H 6.629 2.452 -6.343 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HA . . . . . . . . . c30244_5us3 1 . 4 . 1623 . 1 1 8 PRO HB2 H 6.517 2.861 -9.296 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HB2 . . . . . . . . . c30244_5us3 1 . 4 . 1624 . 1 1 8 PRO HB3 H 7.862 3.119 -8.169 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HB3 . . . . . . . . . c30244_5us3 1 . 4 . 1625 . 1 1 8 PRO HD2 H 5.819 0.019 -9.281 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HD2 . . . . . . . . . c30244_5us3 1 . 4 . 1626 . 1 1 8 PRO HD3 H 6.826 -0.776 -8.060 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HD3 . . . . . . . . . c30244_5us3 1 . 4 . 1627 . 1 1 8 PRO HG2 H 7.855 1.033 -9.779 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HG2 . . . . . . . . . c30244_5us3 1 . 4 . 1628 . 1 1 8 PRO HG3 H 8.420 0.888 -8.100 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HG3 . . . . . . . . . c30244_5us3 1 . 4 . 1629 . 1 1 8 PRO N N 5.695 0.843 -7.369 . . . 1.0 . . . . . . . . . . . . A . 8 PRO N . . . . . . . . . c30244_5us3 1 . 4 . 1630 . 1 1 8 PRO O O 5.021 4.311 -8.041 . . . 1.0 . . . . . . . . . . . . A . 8 PRO O . . . . . . . . . c30244_5us3 1 . 4 . 1631 . 1 1 9 LYS C C 2.961 5.122 -5.694 . . . 1.0 . . . . . . . . . . . . A . 9 LYS C . . . . . . . . . c30244_5us3 1 . 4 . 1632 . 1 1 9 LYS CA C 2.681 3.866 -6.537 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CA . . . . . . . . . c30244_5us3 1 . 4 . 1633 . 1 1 9 LYS CB C 1.460 3.056 -6.073 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CB . . . . . . . . . c30244_5us3 1 . 4 . 1634 . 1 1 9 LYS CD C -0.147 2.865 -8.017 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CD . . . . . . . . . c30244_5us3 1 . 4 . 1635 . 1 1 9 LYS CE C -1.458 3.350 -8.615 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CE . . . . . . . . . c30244_5us3 1 . 4 . 1636 . 1 1 9 LYS CG C 0.136 3.532 -6.675 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CG . . . . . . . . . c30244_5us3 1 . 4 . 1637 . 1 1 9 LYS H H 3.818 2.148 -6.133 . . . 1.0 . . . . . . . . . . . . A . 9 LYS H . . . . . . . . . c30244_5us3 1 . 4 . 1638 . 1 1 9 LYS HA H 2.493 4.211 -7.477 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HA . . . . . . . . . c30244_5us3 1 . 4 . 1639 . 1 1 9 LYS HB2 H 1.605 2.025 -6.365 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB2 . . . . . . . . . c30244_5us3 1 . 4 . 1640 . 1 1 9 LYS HB3 H 1.391 3.101 -5.000 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB3 . . . . . . . . . c30244_5us3 1 . 4 . 1641 . 1 1 9 LYS HD2 H 0.656 3.099 -8.700 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD2 . . . . . . . . . c30244_5us3 1 . 4 . 1642 . 1 1 9 LYS HD3 H -0.200 1.796 -7.872 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD3 . . . . . . . . . c30244_5us3 1 . 4 . 1643 . 1 1 9 LYS HE2 H -2.261 3.108 -7.933 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE2 . . . . . . . . . c30244_5us3 1 . 4 . 1644 . 1 1 9 LYS HE3 H -1.406 4.421 -8.744 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE3 . . . . . . . . . c30244_5us3 1 . 4 . 1645 . 1 1 9 LYS HG2 H -0.670 3.296 -5.997 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG2 . . . . . . . . . c30244_5us3 1 . 4 . 1646 . 1 1 9 LYS HG3 H 0.183 4.601 -6.822 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG3 . . . . . . . . . c30244_5us3 1 . 4 . 1647 . 1 1 9 LYS HZ1 H -1.793 1.682 -9.828 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ1 . . . . . . . . . c30244_5us3 1 . 4 . 1648 . 1 1 9 LYS HZ2 H -0.976 2.942 -10.606 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ2 . . . . . . . . . c30244_5us3 1 . 4 . 1649 . 1 1 9 LYS HZ3 H -2.637 3.065 -10.315 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ3 . . . . . . . . . c30244_5us3 1 . 4 . 1650 . 1 1 9 LYS N N 3.845 2.997 -6.620 . . . 1.0 . . . . . . . . . . . . A . 9 LYS N . . . . . . . . . c30244_5us3 1 . 4 . 1651 . 1 1 9 LYS NZ N -1.735 2.715 -9.933 . . . 1.0 . . . . . . . . . . . . A . 9 LYS NZ . . . . . . . . . c30244_5us3 1 . 4 . 1652 . 1 1 9 LYS O O 2.463 6.190 -6.046 . . . 1.0 . . . . . . . . . . . . A . 9 LYS O . . . . . . . . . c30244_5us3 1 . 4 . 1653 . 1 1 10 MMO C C 3.260 7.341 -3.680 . . . 1.0 . . . . . . . . . . . . A . 10 MMO C . . . . . . . . . c30244_5us3 1 . 4 . 1654 . 1 1 10 MMO CA C 4.174 6.112 -3.691 . . . 1.0 . . . . . . . . . . . . A . 10 MMO CA . . . . . . . . . c30244_5us3 1 . 4 . 1655 . 1 1 10 MMO CB C 5.610 6.473 -4.123 . . . 1.0 . . . . . . . . . . . . A . 10 MMO CB . . . . . . . . . c30244_5us3 1 . 4 . 1656 . 1 1 10 MMO CD C 7.923 6.901 -3.279 . . . 1.0 . . . . . . . . . . . . A . 10 MMO CD . . . . . . . . . c30244_5us3 1 . 4 . 1657 . 1 1 10 MMO CG C 6.445 7.157 -3.051 . . . 1.0 . . . . . . . . . . . . A . 10 MMO CG . . . . . . . . . c30244_5us3 1 . 4 . 1658 . 1 1 10 MMO CN C 4.208 3.675 -4.158 . . . 1.0 . . . . . . . . . . . . A . 10 MMO CN . . . . . . . . . c30244_5us3 1 . 4 . 1659 . 1 1 10 MMO CZ C 10.092 7.394 -2.161 . . . 1.0 . . . . . . . . . . . . A . 10 MMO CZ . . . . . . . . . c30244_5us3 1 . 4 . 1660 . 1 1 10 MMO HA H 4.189 5.702 -2.713 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HA . . . . . . . . . c30244_5us3 1 . 4 . 1661 . 1 1 10 MMO HC1 H 5.261 3.559 -4.367 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HC1 . . . . . . . . . c30244_5us3 1 . 4 . 1662 . 1 1 10 MMO HC2 H 3.647 2.932 -4.706 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HC2 . . . . . . . . . c30244_5us3 1 . 4 . 1663 . 1 1 10 MMO HC3 H 4.032 3.558 -3.101 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HC3 . . . . . . . . . c30244_5us3 1 . 4 . 1664 . 1 1 10 MMO HCB1 H 5.563 7.122 -4.984 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HCB1 . . . . . . . . . c30244_5us3 1 . 4 . 1665 . 1 1 10 MMO HCB2 H 6.117 5.563 -4.397 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HCB2 . . . . . . . . . c30244_5us3 1 . 4 . 1666 . 1 1 10 MMO HCD1 H 8.209 7.339 -4.223 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HCD1 . . . . . . . . . c30244_5us3 1 . 4 . 1667 . 1 1 10 MMO HCD2 H 8.086 5.832 -3.317 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HCD2 . . . . . . . . . c30244_5us3 1 . 4 . 1668 . 1 1 10 MMO HCG1 H 6.164 6.770 -2.083 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HCG1 . . . . . . . . . c30244_5us3 1 . 4 . 1669 . 1 1 10 MMO HCG2 H 6.262 8.221 -3.085 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HCG2 . . . . . . . . . c30244_5us3 1 . 4 . 1670 . 1 1 10 MMO HH11 H 11.781 6.710 -3.050 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HH11 . . . . . . . . . c30244_5us3 1 . 4 . 1671 . 1 1 10 MMO HH12 H 10.305 6.336 -3.876 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HH12 . . . . . . . . . c30244_5us3 1 . 4 . 1672 . 1 1 10 MMO HH21 H 10.234 8.430 -0.431 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HH21 . . . . . . . . . c30244_5us3 1 . 4 . 1673 . 1 1 10 MMO HH22 H 11.738 7.895 -1.102 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HH22 . . . . . . . . . c30244_5us3 1 . 4 . 1674 . 1 1 10 MMO N N 3.766 5.007 -4.586 . . . 1.0 . . . . . . . . . . . . A . 10 MMO N . . . . . . . . . c30244_5us3 1 . 4 . 1675 . 1 1 10 MMO NE N 8.754 7.476 -2.215 . . . 1.0 . . . . . . . . . . . . A . 10 MMO NE . . . . . . . . . c30244_5us3 1 . 4 . 1676 . 1 1 10 MMO NH1 N 10.783 6.760 -3.108 . . . 1.0 . . . . . . . . . . . . A . 10 MMO NH1 . . . . . . . . . c30244_5us3 1 . 4 . 1677 . 1 1 10 MMO NH2 N 10.742 7.952 -1.148 . . . 1.0 . . . . . . . . . . . . A . 10 MMO NH2 . . . . . . . . . c30244_5us3 1 . 4 . 1678 . 1 1 10 MMO O O 2.989 7.952 -4.716 . . . 1.0 . . . . . . . . . . . . A . 10 MMO O . . . . . . . . . c30244_5us3 1 . 4 . 1679 . 1 1 11 PHE C C 2.381 9.842 -1.299 . . . 1.0 . . . . . . . . . . . . A . 11 PHE C . . . . . . . . . c30244_5us3 1 . 4 . 1680 . 1 1 11 PHE CA C 1.877 8.790 -2.280 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CA . . . . . . . . . c30244_5us3 1 . 4 . 1681 . 1 1 11 PHE CB C 0.551 8.133 -1.810 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CB . . . . . . . . . c30244_5us3 1 . 4 . 1682 . 1 1 11 PHE CD1 C 0.682 5.734 -0.987 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CD1 . . . . . . . . . c30244_5us3 1 . 4 . 1683 . 1 1 11 PHE CD2 C 0.512 6.129 -3.332 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CD2 . . . . . . . . . c30244_5us3 1 . 4 . 1684 . 1 1 11 PHE CE1 C 0.751 4.384 -1.231 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CE1 . . . . . . . . . c30244_5us3 1 . 4 . 1685 . 1 1 11 PHE CE2 C 0.587 4.788 -3.568 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CE2 . . . . . . . . . c30244_5us3 1 . 4 . 1686 . 1 1 11 PHE CG C 0.561 6.634 -2.039 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CG . . . . . . . . . c30244_5us3 1 . 4 . 1687 . 1 1 11 PHE CZ C 0.712 3.914 -2.537 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CZ . . . . . . . . . c30244_5us3 1 . 4 . 1688 . 1 1 11 PHE H H 3.209 7.272 -1.679 . . . 1.0 . . . . . . . . . . . . A . 11 PHE H . . . . . . . . . c30244_5us3 1 . 4 . 1689 . 1 1 11 PHE HA H 1.713 9.260 -3.238 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HA . . . . . . . . . c30244_5us3 1 . 4 . 1690 . 1 1 11 PHE HB2 H 0.414 8.315 -0.754 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HB2 . . . . . . . . . c30244_5us3 1 . 4 . 1691 . 1 1 11 PHE HB3 H -0.278 8.553 -2.361 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HB3 . . . . . . . . . c30244_5us3 1 . 4 . 1692 . 1 1 11 PHE HD1 H 0.748 6.089 0.028 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HD1 . . . . . . . . . c30244_5us3 1 . 4 . 1693 . 1 1 11 PHE HD2 H 0.422 6.806 -4.159 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HD2 . . . . . . . . . c30244_5us3 1 . 4 . 1694 . 1 1 11 PHE HE1 H 0.830 3.705 -0.401 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HE1 . . . . . . . . . c30244_5us3 1 . 4 . 1695 . 1 1 11 PHE HE2 H 0.592 4.414 -4.584 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HE2 . . . . . . . . . c30244_5us3 1 . 4 . 1696 . 1 1 11 PHE HZ H 0.771 2.857 -2.759 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HZ . . . . . . . . . c30244_5us3 1 . 4 . 1697 . 1 1 11 PHE N N 2.845 7.719 -2.470 . . . 1.0 . . . . . . . . . . . . A . 11 PHE N . . . . . . . . . c30244_5us3 1 . 4 . 1698 . 1 1 11 PHE O O 2.855 10.902 -1.720 . . . 1.0 . . . . . . . . . . . . A . 11 PHE O . . . . . . . . . c30244_5us3 1 . 4 . 1699 . 1 1 12 NLE C C 2.654 9.849 2.447 . . . 1.0 . . . . . . . . . . . . A . 12 NLE C . . . . . . . . . c30244_5us3 1 . 4 . 1700 . 1 1 12 NLE CA C 2.715 10.486 1.056 . . . 1.0 . . . . . . . . . . . . A . 12 NLE CA . . . . . . . . . c30244_5us3 1 . 4 . 1701 . 1 1 12 NLE CB C 1.831 11.744 1.037 . . . 1.0 . . . . . . . . . . . . A . 12 NLE CB . . . . . . . . . c30244_5us3 1 . 4 . 1702 . 1 1 12 NLE CD C 1.423 13.821 2.383 . . . 1.0 . . . . . . . . . . . . A . 12 NLE CD . . . . . . . . . c30244_5us3 1 . 4 . 1703 . 1 1 12 NLE CE C 2.070 15.034 3.015 . . . 1.0 . . . . . . . . . . . . A . 12 NLE CE . . . . . . . . . c30244_5us3 1 . 4 . 1704 . 1 1 12 NLE CG C 2.466 12.974 1.678 . . . 1.0 . . . . . . . . . . . . A . 12 NLE CG . . . . . . . . . c30244_5us3 1 . 4 . 1705 . 1 1 12 NLE H H 1.910 8.685 0.275 . . . 1.0 . . . . . . . . . . . . A . 12 NLE H . . . . . . . . . c30244_5us3 1 . 4 . 1706 . 1 1 12 NLE HA H 3.736 10.771 0.846 . . . 1.0 . . . . . . . . . . . . A . 12 NLE HA . . . . . . . . . c30244_5us3 1 . 4 . 1707 . 1 1 12 NLE HB2 H 0.913 11.525 1.562 . . . 1.0 . . . . . . . . . . . . A . 12 NLE HB2 . . . . . . . . . c30244_5us3 1 . 4 . 1708 . 1 1 12 NLE HB3 H 1.596 11.979 0.009 . . . 1.0 . . . . . . . . . . . . A . 12 NLE HB3 . . . . . . . . . c30244_5us3 1 . 4 . 1709 . 1 1 12 NLE HD2 H 0.950 13.233 3.156 . . . 1.0 . . . . . . . . . . . . A . 12 NLE HD2 . . . . . . . . . c30244_5us3 1 . 4 . 1710 . 1 1 12 NLE HD3 H 0.686 14.153 1.666 . . . 1.0 . . . . . . . . . . . . A . 12 NLE HD3 . . . . . . . . . c30244_5us3 1 . 4 . 1711 . 1 1 12 NLE HE1 H 2.811 14.713 3.733 . . . 1.0 . . . . . . . . . . . . A . 12 NLE HE1 . . . . . . . . . c30244_5us3 1 . 4 . 1712 . 1 1 12 NLE HE2 H 1.317 15.625 3.515 . . . 1.0 . . . . . . . . . . . . A . 12 NLE HE2 . . . . . . . . . c30244_5us3 1 . 4 . 1713 . 1 1 12 NLE HE3 H 2.545 15.628 2.249 . . . 1.0 . . . . . . . . . . . . A . 12 NLE HE3 . . . . . . . . . c30244_5us3 1 . 4 . 1714 . 1 1 12 NLE HG2 H 2.943 13.567 0.910 . . . 1.0 . . . . . . . . . . . . A . 12 NLE HG2 . . . . . . . . . c30244_5us3 1 . 4 . 1715 . 1 1 12 NLE HG3 H 3.203 12.653 2.399 . . . 1.0 . . . . . . . . . . . . A . 12 NLE HG3 . . . . . . . . . c30244_5us3 1 . 4 . 1716 . 1 1 12 NLE N N 2.283 9.551 0.010 . . . 1.0 . . . . . . . . . . . . A . 12 NLE N . . . . . . . . . c30244_5us3 1 . 4 . 1717 . 1 1 12 NLE O O 3.251 10.379 3.389 . . . 1.0 . . . . . . . . . . . . A . 12 NLE O . . . . . . . . . c30244_5us3 1 . 4 . 1718 . 1 1 13 ARG C C 2.075 6.583 3.795 . . . 1.0 . . . . . . . . . . . . A . 13 ARG C . . . . . . . . . c30244_5us3 1 . 4 . 1719 . 1 1 13 ARG CA C 1.805 8.072 3.884 . . . 1.0 . . . . . . . . . . . . A . 13 ARG CA . . . . . . . . . c30244_5us3 1 . 4 . 1720 . 1 1 13 ARG CB C 0.414 8.329 4.473 . . . 1.0 . . . . . . . . . . . . A . 13 ARG CB . . . . . . . . . c30244_5us3 1 . 4 . 1721 . 1 1 13 ARG CD C -1.117 9.922 5.681 . . . 1.0 . . . . . . . . . . . . A . 13 ARG CD . . . . . . . . . c30244_5us3 1 . 4 . 1722 . 1 1 13 ARG CG C 0.278 9.699 5.121 . . . 1.0 . . . . . . . . . . . . A . 13 ARG CG . . . . . . . . . c30244_5us3 1 . 4 . 1723 . 1 1 13 ARG CZ C -2.257 11.531 7.199 . . . 1.0 . . . . . . . . . . . . A . 13 ARG CZ . . . . . . . . . c30244_5us3 1 . 4 . 1724 . 1 1 13 ARG H H 1.524 8.298 1.785 . . . 1.0 . . . . . . . . . . . . A . 13 ARG H . . . . . . . . . c30244_5us3 1 . 4 . 1725 . 1 1 13 ARG HA H 2.541 8.511 4.540 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HA . . . . . . . . . c30244_5us3 1 . 4 . 1726 . 1 1 13 ARG HB2 H -0.318 8.255 3.682 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HB2 . . . . . . . . . c30244_5us3 1 . 4 . 1727 . 1 1 13 ARG HB3 H 0.204 7.578 5.219 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HB3 . . . . . . . . . c30244_5us3 1 . 4 . 1728 . 1 1 13 ARG HD2 H -1.818 9.954 4.860 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HD2 . . . . . . . . . c30244_5us3 1 . 4 . 1729 . 1 1 13 ARG HD3 H -1.365 9.099 6.335 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HD3 . . . . . . . . . c30244_5us3 1 . 4 . 1730 . 1 1 13 ARG HE H -0.455 11.794 6.371 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HE . . . . . . . . . c30244_5us3 1 . 4 . 1731 . 1 1 13 ARG HG2 H 0.994 9.777 5.926 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HG2 . . . . . . . . . c30244_5us3 1 . 4 . 1732 . 1 1 13 ARG HG3 H 0.485 10.458 4.380 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HG3 . . . . . . . . . c30244_5us3 1 . 4 . 1733 . 1 1 13 ARG HH11 H -3.346 9.859 6.851 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HH11 . . . . . . . . . c30244_5us3 1 . 4 . 1734 . 1 1 13 ARG HH12 H -4.087 11.020 7.902 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HH12 . . . . . . . . . c30244_5us3 1 . 4 . 1735 . 1 1 13 ARG HH21 H -3.009 12.964 8.408 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HH21 . . . . . . . . . c30244_5us3 1 . 4 . 1736 . 1 1 13 ARG HH22 H -1.443 13.299 7.748 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HH22 . . . . . . . . . c30244_5us3 1 . 4 . 1737 . 1 1 13 ARG N N 1.941 8.719 2.582 . . . 1.0 . . . . . . . . . . . . A . 13 ARG N . . . . . . . . . c30244_5us3 1 . 4 . 1738 . 1 1 13 ARG NE N -1.213 11.176 6.435 . . . 1.0 . . . . . . . . . . . . A . 13 ARG NE . . . . . . . . . c30244_5us3 1 . 4 . 1739 . 1 1 13 ARG NH1 N -3.318 10.737 7.328 . . . 1.0 . . . . . . . . . . . . A . 13 ARG NH1 . . . . . . . . . c30244_5us3 1 . 4 . 1740 . 1 1 13 ARG NH2 N -2.234 12.693 7.837 . . . 1.0 . . . . . . . . . . . . A . 13 ARG NH2 . . . . . . . . . c30244_5us3 1 . 4 . 1741 . 1 1 13 ARG O O 1.796 5.949 2.774 . . . 1.0 . . . . . . . . . . . . A . 13 ARG O . . . . . . . . . c30244_5us3 1 . 4 . 1742 . 1 1 14 SER C C 1.783 3.802 5.521 . . . 1.0 . . . . . . . . . . . . A . 14 SER C . . . . . . . . . c30244_5us3 1 . 4 . 1743 . 1 1 14 SER CA C 2.950 4.620 4.961 . . . 1.0 . . . . . . . . . . . . A . 14 SER CA . . . . . . . . . c30244_5us3 1 . 4 . 1744 . 1 1 14 SER CB C 4.200 4.411 5.820 . . . 1.0 . . . . . . . . . . . . A . 14 SER CB . . . . . . . . . c30244_5us3 1 . 4 . 1745 . 1 1 14 SER H H 2.809 6.610 5.657 . . . 1.0 . . . . . . . . . . . . A . 14 SER H . . . . . . . . . c30244_5us3 1 . 4 . 1746 . 1 1 14 SER HA H 3.156 4.288 3.952 . . . 1.0 . . . . . . . . . . . . A . 14 SER HA . . . . . . . . . c30244_5us3 1 . 4 . 1747 . 1 1 14 SER HB2 H 4.376 3.353 5.943 . . . 1.0 . . . . . . . . . . . . A . 14 SER HB2 . . . . . . . . . c30244_5us3 1 . 4 . 1748 . 1 1 14 SER HB3 H 5.050 4.862 5.330 . . . 1.0 . . . . . . . . . . . . A . 14 SER HB3 . . . . . . . . . c30244_5us3 1 . 4 . 1749 . 1 1 14 SER HG H 3.242 4.673 7.510 . . . 1.0 . . . . . . . . . . . . A . 14 SER HG . . . . . . . . . c30244_5us3 1 . 4 . 1750 . 1 1 14 SER N N 2.622 6.038 4.884 . . . 1.0 . . . . . . . . . . . . A . 14 SER N . . . . . . . . . c30244_5us3 1 . 4 . 1751 . 1 1 14 SER O O 1.579 2.656 5.115 . . . 1.0 . . . . . . . . . . . . A . 14 SER O . . . . . . . . . c30244_5us3 1 . 4 . 1752 . 1 1 14 SER OG O 4.048 4.998 7.102 . . . 1.0 . . . . . . . . . . . . A . 14 SER OG . . . . . . . . . c30244_5us3 1 . 4 . 1753 . 1 1 15 B3D C C -2.105 4.190 5.580 . . . 1.0 . . . . . . . . . . . . A . 15 B3D C . . . . . . . . . c30244_5us3 1 . 4 . 1754 . 1 1 15 B3D CA C -1.393 4.533 6.856 . . . 1.0 . . . . . . . . . . . . A . 15 B3D CA . . . . . . . . . c30244_5us3 1 . 4 . 1755 . 1 1 15 B3D CB C -0.106 3.722 7.048 . . . 1.0 . . . . . . . . . . . . A . 15 B3D CB . . . . . . . . . c30244_5us3 1 . 4 . 1756 . 1 1 15 B3D CD C 1.264 2.631 8.900 . . . 1.0 . . . . . . . . . . . . A . 15 B3D CD . . . . . . . . . c30244_5us3 1 . 4 . 1757 . 1 1 15 B3D CG C 0.112 3.563 8.566 . . . 1.0 . . . . . . . . . . . . A . 15 B3D CG . . . . . . . . . c30244_5us3 1 . 4 . 1758 . 1 1 15 B3D H H 1.259 5.295 6.760 . . . 1.0 . . . . . . . . . . . . A . 15 B3D H . . . . . . . . . c30244_5us3 1 . 4 . 1759 . 1 1 15 B3D HA1 H -1.147 5.585 6.837 . . . 1.0 . . . . . . . . . . . . A . 15 B3D HA1 . . . . . . . . . c30244_5us3 1 . 4 . 1760 . 1 1 15 B3D HA2 H -2.064 4.341 7.680 . . . 1.0 . . . . . . . . . . . . A . 15 B3D HA2 . . . . . . . . . c30244_5us3 1 . 4 . 1761 . 1 1 15 B3D HB H -0.188 2.753 6.518 . . . 1.0 . . . . . . . . . . . . A . 15 B3D HB . . . . . . . . . c30244_5us3 1 . 4 . 1762 . 1 1 15 B3D HG2 H -0.787 3.165 9.015 . . . 1.0 . . . . . . . . . . . . A . 15 B3D HG2 . . . . . . . . . c30244_5us3 1 . 4 . 1763 . 1 1 15 B3D HG3 H 0.324 4.531 8.996 . . . 1.0 . . . . . . . . . . . . A . 15 B3D HG3 . . . . . . . . . c30244_5us3 1 . 4 . 1764 . 1 1 15 B3D N N 1.031 4.390 6.463 . . . 1.0 . . . . . . . . . . . . A . 15 B3D N . . . . . . . . . c30244_5us3 1 . 4 . 1765 . 1 1 15 B3D O O -2.647 3.080 5.420 . . . 1.0 . . . . . . . . . . . . A . 15 B3D O . . . . . . . . . c30244_5us3 1 . 4 . 1766 . 1 1 15 B3D OE1 O 1.010 1.426 9.108 . . . 1.0 . . . . . . . . . . . . A . 15 B3D OE1 . . . . . . . . . c30244_5us3 1 . 4 . 1767 . 1 1 15 B3D OE2 O 2.417 3.106 8.952 . . . 1.0 . . . . . . . . . . . . A . 15 B3D OE2 . . . . . . . . . c30244_5us3 1 . 4 . 1768 . 1 1 16 HIS C C -2.077 3.836 2.553 . . . 1.0 . . . . . . . . . . . . A . 16 HIS C . . . . . . . . . c30244_5us3 1 . 4 . 1769 . 1 1 16 HIS CA C -2.695 5.003 3.321 . . . 1.0 . . . . . . . . . . . . A . 16 HIS CA . . . . . . . . . c30244_5us3 1 . 4 . 1770 . 1 1 16 HIS CB C -2.559 6.296 2.512 . . . 1.0 . . . . . . . . . . . . A . 16 HIS CB . . . . . . . . . c30244_5us3 1 . 4 . 1771 . 1 1 16 HIS CD2 C -3.548 8.074 4.134 . . . 1.0 . . . . . . . . . . . . A . 16 HIS CD2 . . . . . . . . . c30244_5us3 1 . 4 . 1772 . 1 1 16 HIS CE1 C -5.115 8.865 2.821 . . . 1.0 . . . . . . . . . . . . A . 16 HIS CE1 . . . . . . . . . c30244_5us3 1 . 4 . 1773 . 1 1 16 HIS CG C -3.479 7.393 2.963 . . . 1.0 . . . . . . . . . . . . A . 16 HIS CG . . . . . . . . . c30244_5us3 1 . 4 . 1774 . 1 1 16 HIS H H -1.617 5.995 4.849 . . . 1.0 . . . . . . . . . . . . A . 16 HIS H . . . . . . . . . c30244_5us3 1 . 4 . 1775 . 1 1 16 HIS HA H -3.744 4.796 3.474 . . . 1.0 . . . . . . . . . . . . A . 16 HIS HA . . . . . . . . . c30244_5us3 1 . 4 . 1776 . 1 1 16 HIS HB2 H -1.546 6.658 2.594 . . . 1.0 . . . . . . . . . . . . A . 16 HIS HB2 . . . . . . . . . c30244_5us3 1 . 4 . 1777 . 1 1 16 HIS HB3 H -2.776 6.086 1.474 . . . 1.0 . . . . . . . . . . . . A . 16 HIS HB3 . . . . . . . . . c30244_5us3 1 . 4 . 1778 . 1 1 16 HIS HD1 H -4.684 7.627 1.249 . . . 1.0 . . . . . . . . . . . . A . 16 HIS HD1 . . . . . . . . . c30244_5us3 1 . 4 . 1779 . 1 1 16 HIS HD2 H -2.917 7.926 4.999 . . . 1.0 . . . . . . . . . . . . A . 16 HIS HD2 . . . . . . . . . c30244_5us3 1 . 4 . 1780 . 1 1 16 HIS HE1 H -5.942 9.446 2.444 . . . 1.0 . . . . . . . . . . . . A . 16 HIS HE1 . . . . . . . . . c30244_5us3 1 . 4 . 1781 . 1 1 16 HIS HE2 H -4.897 9.568 4.732 . . . 1.0 . . . . . . . . . . . . A . 16 HIS HE2 . . . . . . . . . c30244_5us3 1 . 4 . 1782 . 1 1 16 HIS N N -2.074 5.153 4.641 . . . 1.0 . . . . . . . . . . . . A . 16 HIS N . . . . . . . . . c30244_5us3 1 . 4 . 1783 . 1 1 16 HIS ND1 N -4.476 7.912 2.164 . . . 1.0 . . . . . . . . . . . . A . 16 HIS ND1 . . . . . . . . . c30244_5us3 1 . 4 . 1784 . 1 1 16 HIS NE2 N -4.571 8.982 4.018 . . . 1.0 . . . . . . . . . . . . A . 16 HIS NE2 . . . . . . . . . c30244_5us3 1 . 4 . 1785 . 1 1 16 HIS O O -2.765 3.178 1.773 . . . 1.0 . . . . . . . . . . . . A . 16 HIS O . . . . . . . . . c30244_5us3 1 . 4 . 1786 . 1 1 17 LEU C C -0.358 1.173 2.855 . . . 1.0 . . . . . . . . . . . . A . 17 LEU C . . . . . . . . . c30244_5us3 1 . 4 . 1787 . 1 1 17 LEU CA C -0.069 2.489 2.139 . . . 1.0 . . . . . . . . . . . . A . 17 LEU CA . . . . . . . . . c30244_5us3 1 . 4 . 1788 . 1 1 17 LEU CB C 1.452 2.697 2.086 . . . 1.0 . . . . . . . . . . . . A . 17 LEU CB . . . . . . . . . c30244_5us3 1 . 4 . 1789 . 1 1 17 LEU CD1 C 2.159 1.364 0.041 . . . 1.0 . . . . . . . . . . . . A . 17 LEU CD1 . . . . . . . . . c30244_5us3 1 . 4 . 1790 . 1 1 17 LEU CD2 C 3.689 1.551 2.004 . . . 1.0 . . . . . . . . . . . . A . 17 LEU CD2 . . . . . . . . . c30244_5us3 1 . 4 . 1791 . 1 1 17 LEU CG C 2.250 1.485 1.556 . . . 1.0 . . . . . . . . . . . . A . 17 LEU CG . . . . . . . . . c30244_5us3 1 . 4 . 1792 . 1 1 17 LEU H H -0.262 4.212 3.324 . . . 1.0 . . . . . . . . . . . . A . 17 LEU H . . . . . . . . . c30244_5us3 1 . 4 . 1793 . 1 1 17 LEU HA H -0.450 2.418 1.131 . . . 1.0 . . . . . . . . . . . . A . 17 LEU HA . . . . . . . . . c30244_5us3 1 . 4 . 1794 . 1 1 17 LEU HB2 H 1.666 3.553 1.468 . . . 1.0 . . . . . . . . . . . . A . 17 LEU HB2 . . . . . . . . . c30244_5us3 1 . 4 . 1795 . 1 1 17 LEU HB3 H 1.791 2.904 3.087 . . . 1.0 . . . . . . . . . . . . A . 17 LEU HB3 . . . . . . . . . c30244_5us3 1 . 4 . 1796 . 1 1 17 LEU HD11 H 2.789 2.109 -0.433 . . . 1.0 . . . . . . . . . . . . A . 17 LEU HD11 . . . . . . . . . c30244_5us3 1 . 4 . 1797 . 1 1 17 LEU HD12 H 1.131 1.515 -0.261 . . . 1.0 . . . . . . . . . . . . A . 17 LEU HD12 . . . . . . . . . c30244_5us3 1 . 4 . 1798 . 1 1 17 LEU HD13 H 2.472 0.363 -0.267 . . . 1.0 . . . . . . . . . . . . A . 17 LEU HD13 . . . . . . . . . c30244_5us3 1 . 4 . 1799 . 1 1 17 LEU HD21 H 4.200 0.653 1.686 . . . 1.0 . . . . . . . . . . . . A . 17 LEU HD21 . . . . . . . . . c30244_5us3 1 . 4 . 1800 . 1 1 17 LEU HD22 H 3.725 1.627 3.080 . . . 1.0 . . . . . . . . . . . . A . 17 LEU HD22 . . . . . . . . . c30244_5us3 1 . 4 . 1801 . 1 1 17 LEU HD23 H 4.164 2.414 1.560 . . . 1.0 . . . . . . . . . . . . A . 17 LEU HD23 . . . . . . . . . c30244_5us3 1 . 4 . 1802 . 1 1 17 LEU HG H 1.821 0.586 1.975 . . . 1.0 . . . . . . . . . . . . A . 17 LEU HG . . . . . . . . . c30244_5us3 1 . 4 . 1803 . 1 1 17 LEU N N -0.767 3.601 2.768 . . . 1.0 . . . . . . . . . . . . A . 17 LEU N . . . . . . . . . c30244_5us3 1 . 4 . 1804 . 1 1 17 LEU O O -0.410 0.142 2.207 . . . 1.0 . . . . . . . . . . . . A . 17 LEU O . . . . . . . . . c30244_5us3 1 . 4 . 1805 . 1 1 18 SER C C -2.080 -0.641 4.442 . . . 1.0 . . . . . . . . . . . . A . 18 SER C . . . . . . . . . c30244_5us3 1 . 4 . 1806 . 1 1 18 SER CA C -0.779 -0.019 4.960 . . . 1.0 . . . . . . . . . . . . A . 18 SER CA . . . . . . . . . c30244_5us3 1 . 4 . 1807 . 1 1 18 SER CB C -0.869 0.278 6.467 . . . 1.0 . . . . . . . . . . . . A . 18 SER CB . . . . . . . . . c30244_5us3 1 . 4 . 1808 . 1 1 18 SER H H -0.317 2.042 4.668 . . . 1.0 . . . . . . . . . . . . A . 18 SER H . . . . . . . . . c30244_5us3 1 . 4 . 1809 . 1 1 18 SER HA H 0.025 -0.720 4.789 . . . 1.0 . . . . . . . . . . . . A . 18 SER HA . . . . . . . . . c30244_5us3 1 . 4 . 1810 . 1 1 18 SER HB2 H 0.078 0.665 6.810 . . . 1.0 . . . . . . . . . . . . A . 18 SER HB2 . . . . . . . . . c30244_5us3 1 . 4 . 1811 . 1 1 18 SER HB3 H -1.645 1.010 6.643 . . . 1.0 . . . . . . . . . . . . A . 18 SER HB3 . . . . . . . . . c30244_5us3 1 . 4 . 1812 . 1 1 18 SER HG H -0.552 -0.975 7.942 . . . 1.0 . . . . . . . . . . . . A . 18 SER HG . . . . . . . . . c30244_5us3 1 . 4 . 1813 . 1 1 18 SER N N -0.473 1.199 4.193 . . . 1.0 . . . . . . . . . . . . A . 18 SER N . . . . . . . . . c30244_5us3 1 . 4 . 1814 . 1 1 18 SER O O -2.086 -1.793 3.998 . . . 1.0 . . . . . . . . . . . . A . 18 SER O . . . . . . . . . c30244_5us3 1 . 4 . 1815 . 1 1 18 SER OG O -1.169 -0.893 7.211 . . . 1.0 . . . . . . . . . . . . A . 18 SER OG . . . . . . . . . c30244_5us3 1 . 4 . 1816 . 1 1 19 B3K C C -4.295 -0.016 1.421 . . . 1.0 . . . . . . . . . . . . A . 19 B3K C . . . . . . . . . c30244_5us3 1 . 4 . 1817 . 1 1 19 B3K CA C -4.858 0.488 2.729 . . . 1.0 . . . . . . . . . . . . A . 19 B3K CA . . . . . . . . . c30244_5us3 1 . 4 . 1818 . 1 1 19 B3K CB C -4.424 -0.319 3.954 . . . 1.0 . . . . . . . . . . . . A . 19 B3K CB . . . . . . . . . c30244_5us3 1 . 4 . 1819 . 1 1 19 B3K CD C -5.334 -1.016 6.258 . . . 1.0 . . . . . . . . . . . . A . 19 B3K CD . . . . . . . . . c30244_5us3 1 . 4 . 1820 . 1 1 19 B3K CE C -6.430 -0.777 7.283 . . . 1.0 . . . . . . . . . . . . A . 19 B3K CE . . . . . . . . . c30244_5us3 1 . 4 . 1821 . 1 1 19 B3K CF C -6.273 -1.687 8.490 . . . 1.0 . . . . . . . . . . . . A . 19 B3K CF . . . . . . . . . c30244_5us3 1 . 4 . 1822 . 1 1 19 B3K CG C -5.506 -0.119 5.039 . . . 1.0 . . . . . . . . . . . . A . 19 B3K CG . . . . . . . . . c30244_5us3 1 . 4 . 1823 . 1 1 19 B3K H H -3.080 1.076 4.792 . . . 1.0 . . . . . . . . . . . . A . 19 B3K H . . . . . . . . . c30244_5us3 1 . 4 . 1824 . 1 1 19 B3K HA1 H -5.934 0.466 2.656 . . . 1.0 . . . . . . . . . . . . A . 19 B3K HA1 . . . . . . . . . c30244_5us3 1 . 4 . 1825 . 1 1 19 B3K HA2 H -4.538 1.511 2.858 . . . 1.0 . . . . . . . . . . . . A . 19 B3K HA2 . . . . . . . . . c30244_5us3 1 . 4 . 1826 . 1 1 19 B3K HB H -4.270 -1.385 3.681 . . . 1.0 . . . . . . . . . . . . A . 19 B3K HB . . . . . . . . . c30244_5us3 1 . 4 . 1827 . 1 1 19 B3K HD2 H -4.376 -0.809 6.713 . . . 1.0 . . . . . . . . . . . . A . 19 B3K HD2 . . . . . . . . . c30244_5us3 1 . 4 . 1828 . 1 1 19 B3K HD3 H -5.370 -2.047 5.942 . . . 1.0 . . . . . . . . . . . . A . 19 B3K HD3 . . . . . . . . . c30244_5us3 1 . 4 . 1829 . 1 1 19 B3K HE2 H -7.389 -0.966 6.822 . . . 1.0 . . . . . . . . . . . . A . 19 B3K HE2 . . . . . . . . . c30244_5us3 1 . 4 . 1830 . 1 1 19 B3K HE3 H -6.384 0.251 7.612 . . . 1.0 . . . . . . . . . . . . A . 19 B3K HE3 . . . . . . . . . c30244_5us3 1 . 4 . 1831 . 1 1 19 B3K HF1 H -5.317 -1.489 8.952 . . . 1.0 . . . . . . . . . . . . A . 19 B3K HF1 . . . . . . . . . c30244_5us3 1 . 4 . 1832 . 1 1 19 B3K HF2 H -6.306 -2.713 8.158 . . . 1.0 . . . . . . . . . . . . A . 19 B3K HF2 . . . . . . . . . c30244_5us3 1 . 4 . 1833 . 1 1 19 B3K HG2 H -6.475 -0.321 4.609 . . . 1.0 . . . . . . . . . . . . A . 19 B3K HG2 . . . . . . . . . c30244_5us3 1 . 4 . 1834 . 1 1 19 B3K HG3 H -5.479 0.909 5.371 . . . 1.0 . . . . . . . . . . . . A . 19 B3K HG3 . . . . . . . . . c30244_5us3 1 . 4 . 1835 . 1 1 19 B3K HNZ1 H -7.330 -0.486 9.834 . . . 1.0 . . . . . . . . . . . . A . 19 B3K HNZ1 . . . . . . . . . c30244_5us3 1 . 4 . 1836 . 1 1 19 B3K HNZ2 H -7.219 -2.106 10.305 . . . 1.0 . . . . . . . . . . . . A . 19 B3K HNZ2 . . . . . . . . . c30244_5us3 1 . 4 . 1837 . 1 1 19 B3K N N -3.157 0.151 4.447 . . . 1.0 . . . . . . . . . . . . A . 19 B3K N . . . . . . . . . c30244_5us3 1 . 4 . 1838 . 1 1 19 B3K NZ N -7.351 -1.469 9.494 . . . 1.0 . . . . . . . . . . . . A . 19 B3K NZ . . . . . . . . . c30244_5us3 1 . 4 . 1839 . 1 1 19 B3K O O -4.736 -1.044 0.884 . . . 1.0 . . . . . . . . . . . . A . 19 B3K O . . . . . . . . . c30244_5us3 1 . 4 . 1840 . 1 1 20 HIS C C -2.097 -1.050 -0.469 . . . 1.0 . . . . . . . . . . . . A . 20 HIS C . . . . . . . . . c30244_5us3 1 . 4 . 1841 . 1 1 20 HIS CA C -2.604 0.397 -0.334 . . . 1.0 . . . . . . . . . . . . A . 20 HIS CA . . . . . . . . . c30244_5us3 1 . 4 . 1842 . 1 1 20 HIS CB C -1.446 1.340 -0.524 . . . 1.0 . . . . . . . . . . . . A . 20 HIS CB . . . . . . . . . c30244_5us3 1 . 4 . 1843 . 1 1 20 HIS CD2 C 0.252 0.294 -2.096 . . . 1.0 . . . . . . . . . . . . A . 20 HIS CD2 . . . . . . . . . c30244_5us3 1 . 4 . 1844 . 1 1 20 HIS CE1 C -0.410 1.136 -3.960 . . . 1.0 . . . . . . . . . . . . A . 20 HIS CE1 . . . . . . . . . c30244_5us3 1 . 4 . 1845 . 1 1 20 HIS CG C -0.774 1.111 -1.816 . . . 1.0 . . . . . . . . . . . . A . 20 HIS CG . . . . . . . . . c30244_5us3 1 . 4 . 1846 . 1 1 20 HIS H H -2.869 1.406 1.488 . . . 1.0 . . . . . . . . . . . . A . 20 HIS H . . . . . . . . . c30244_5us3 1 . 4 . 1847 . 1 1 20 HIS HA H -3.294 0.609 -1.111 . . . 1.0 . . . . . . . . . . . . A . 20 HIS HA . . . . . . . . . c30244_5us3 1 . 4 . 1848 . 1 1 20 HIS HB2 H -1.796 2.363 -0.490 . . . 1.0 . . . . . . . . . . . . A . 20 HIS HB2 . . . . . . . . . c30244_5us3 1 . 4 . 1849 . 1 1 20 HIS HB3 H -0.735 1.165 0.261 . . . 1.0 . . . . . . . . . . . . A . 20 HIS HB3 . . . . . . . . . c30244_5us3 1 . 4 . 1850 . 1 1 20 HIS HD1 H -1.916 2.291 -3.136 . . . 1.0 . . . . . . . . . . . . A . 20 HIS HD1 . . . . . . . . . c30244_5us3 1 . 4 . 1851 . 1 1 20 HIS HD2 H 0.769 -0.358 -1.387 . . . 1.0 . . . . . . . . . . . . A . 20 HIS HD2 . . . . . . . . . c30244_5us3 1 . 4 . 1852 . 1 1 20 HIS HE1 H -0.543 1.302 -5.012 . . . 1.0 . . . . . . . . . . . . A . 20 HIS HE1 . . . . . . . . . c30244_5us3 1 . 4 . 1853 . 1 1 20 HIS N N -3.250 0.684 0.941 . . . 1.0 . . . . . . . . . . . . A . 20 HIS N . . . . . . . . . c30244_5us3 1 . 4 . 1854 . 1 1 20 HIS ND1 N -1.186 1.649 -3.009 . . . 1.0 . . . . . . . . . . . . A . 20 HIS ND1 . . . . . . . . . c30244_5us3 1 . 4 . 1855 . 1 1 20 HIS NE2 N 0.481 0.321 -3.442 . . . 1.0 . . . . . . . . . . . . A . 20 HIS NE2 . . . . . . . . . c30244_5us3 1 . 4 . 1856 . 1 1 20 HIS O O -2.197 -1.662 -1.532 . . . 1.0 . . . . . . . . . . . . A . 20 HIS O . . . . . . . . . c30244_5us3 1 . 4 . 1857 . 1 1 21 ILE C C -1.870 -3.920 1.208 . . . 1.0 . . . . . . . . . . . . A . 21 ILE C . . . . . . . . . c30244_5us3 1 . 4 . 1858 . 1 1 21 ILE CA C -0.939 -2.888 0.575 . . . 1.0 . . . . . . . . . . . . A . 21 ILE CA . . . . . . . . . c30244_5us3 1 . 4 . 1859 . 1 1 21 ILE CB C 0.494 -2.907 1.176 . . . 1.0 . . . . . . . . . . . . A . 21 ILE CB . . . . . . . . . c30244_5us3 1 . 4 . 1860 . 1 1 21 ILE CD1 C 0.629 -3.996 3.487 . . . 1.0 . . . . . . . . . . . . A . 21 ILE CD1 . . . . . . . . . c30244_5us3 1 . 4 . 1861 . 1 1 21 ILE CG1 C 0.527 -2.705 2.703 . . . 1.0 . . . . . . . . . . . . A . 21 ILE CG1 . . . . . . . . . c30244_5us3 1 . 4 . 1862 . 1 1 21 ILE CG2 C 1.348 -1.881 0.493 . . . 1.0 . . . . . . . . . . . . A . 21 ILE CG2 . . . . . . . . . c30244_5us3 1 . 4 . 1863 . 1 1 21 ILE H H -1.426 -1.023 1.391 . . . 1.0 . . . . . . . . . . . . A . 21 ILE H . . . . . . . . . c30244_5us3 1 . 4 . 1864 . 1 1 21 ILE HA H -0.846 -3.146 -0.463 . . . 1.0 . . . . . . . . . . . . A . 21 ILE HA . . . . . . . . . c30244_5us3 1 . 4 . 1865 . 1 1 21 ILE HB H 0.927 -3.829 0.927 . . . 1.0 . . . . . . . . . . . . A . 21 ILE HB . . . . . . . . . c30244_5us3 1 . 4 . 1866 . 1 1 21 ILE HD11 H 1.537 -4.513 3.212 . . . 1.0 . . . . . . . . . . . . A . 21 ILE HD11 . . . . . . . . . c30244_5us3 1 . 4 . 1867 . 1 1 21 ILE HD12 H -0.223 -4.622 3.264 . . . 1.0 . . . . . . . . . . . . A . 21 ILE HD12 . . . . . . . . . c30244_5us3 1 . 4 . 1868 . 1 1 21 ILE HD13 H 0.647 -3.776 4.544 . . . 1.0 . . . . . . . . . . . . A . 21 ILE HD13 . . . . . . . . . c30244_5us3 1 . 4 . 1869 . 1 1 21 ILE HG12 H 1.379 -2.095 2.960 . . . 1.0 . . . . . . . . . . . . A . 21 ILE HG12 . . . . . . . . . c30244_5us3 1 . 4 . 1870 . 1 1 21 ILE HG13 H -0.377 -2.200 3.011 . . . 1.0 . . . . . . . . . . . . A . 21 ILE HG13 . . . . . . . . . c30244_5us3 1 . 4 . 1871 . 1 1 21 ILE HG21 H 0.845 -0.932 0.529 . . . 1.0 . . . . . . . . . . . . A . 21 ILE HG21 . . . . . . . . . c30244_5us3 1 . 4 . 1872 . 1 1 21 ILE HG22 H 1.496 -2.184 -0.535 . . . 1.0 . . . . . . . . . . . . A . 21 ILE HG22 . . . . . . . . . c30244_5us3 1 . 4 . 1873 . 1 1 21 ILE HG23 H 2.300 -1.812 0.992 . . . 1.0 . . . . . . . . . . . . A . 21 ILE HG23 . . . . . . . . . c30244_5us3 1 . 4 . 1874 . 1 1 21 ILE N N -1.503 -1.559 0.590 . . . 1.0 . . . . . . . . . . . . A . 21 ILE N . . . . . . . . . c30244_5us3 1 . 4 . 1875 . 1 1 21 ILE O O -1.655 -5.123 1.061 . . . 1.0 . . . . . . . . . . . . A . 21 ILE O . . . . . . . . . c30244_5us3 1 . 4 . 1876 . 1 1 22 B3K C C -5.430 -4.066 0.473 . . . 1.0 . . . . . . . . . . . . A . 22 B3K C . . . . . . . . . c30244_5us3 1 . 4 . 1877 . 1 1 22 B3K CA C -5.251 -3.896 1.976 . . . 1.0 . . . . . . . . . . . . A . 22 B3K CA . . . . . . . . . c30244_5us3 1 . 4 . 1878 . 1 1 22 B3K CB C -3.863 -4.281 2.519 . . . 1.0 . . . . . . . . . . . . A . 22 B3K CB . . . . . . . . . c30244_5us3 1 . 4 . 1879 . 1 1 22 B3K CD C -3.598 -5.339 4.837 . . . 1.0 . . . . . . . . . . . . A . 22 B3K CD . . . . . . . . . c30244_5us3 1 . 4 . 1880 . 1 1 22 B3K CE C -3.624 -5.079 6.336 . . . 1.0 . . . . . . . . . . . . A . 22 B3K CE . . . . . . . . . c30244_5us3 1 . 4 . 1881 . 1 1 22 B3K CF C -3.237 -6.316 7.132 . . . 1.0 . . . . . . . . . . . . A . 22 B3K CF . . . . . . . . . c30244_5us3 1 . 4 . 1882 . 1 1 22 B3K CG C -3.897 -4.075 4.046 . . . 1.0 . . . . . . . . . . . . A . 22 B3K CG . . . . . . . . . c30244_5us3 1 . 4 . 1883 . 1 1 22 B3K H H -2.890 -2.471 2.149 . . . 1.0 . . . . . . . . . . . . A . 22 B3K H . . . . . . . . . c30244_5us3 1 . 4 . 1884 . 1 1 22 B3K HA1 H -5.438 -2.859 2.216 . . . 1.0 . . . . . . . . . . . . A . 22 B3K HA1 . . . . . . . . . c30244_5us3 1 . 4 . 1885 . 1 1 22 B3K HA2 H -5.994 -4.505 2.468 . . . 1.0 . . . . . . . . . . . . A . 22 B3K HA2 . . . . . . . . . c30244_5us3 1 . 4 . 1886 . 1 1 22 B3K HB H -3.596 -5.319 2.221 . . . 1.0 . . . . . . . . . . . . A . 22 B3K HB . . . . . . . . . c30244_5us3 1 . 4 . 1887 . 1 1 22 B3K HD2 H -2.619 -5.700 4.561 . . . 1.0 . . . . . . . . . . . . A . 22 B3K HD2 . . . . . . . . . c30244_5us3 1 . 4 . 1888 . 1 1 22 B3K HD3 H -4.340 -6.085 4.598 . . . 1.0 . . . . . . . . . . . . A . 22 B3K HD3 . . . . . . . . . c30244_5us3 1 . 4 . 1889 . 1 1 22 B3K HE2 H -4.622 -4.777 6.620 . . . 1.0 . . . . . . . . . . . . A . 22 B3K HE2 . . . . . . . . . c30244_5us3 1 . 4 . 1890 . 1 1 22 B3K HE3 H -2.929 -4.285 6.565 . . . 1.0 . . . . . . . . . . . . A . 22 B3K HE3 . . . . . . . . . c30244_5us3 1 . 4 . 1891 . 1 1 22 B3K HF1 H -3.039 -6.023 8.154 . . . 1.0 . . . . . . . . . . . . A . 22 B3K HF1 . . . . . . . . . c30244_5us3 1 . 4 . 1892 . 1 1 22 B3K HF2 H -2.341 -6.739 6.702 . . . 1.0 . . . . . . . . . . . . A . 22 B3K HF2 . . . . . . . . . c30244_5us3 1 . 4 . 1893 . 1 1 22 B3K HG2 H -4.877 -3.722 4.330 . . . 1.0 . . . . . . . . . . . . A . 22 B3K HG2 . . . . . . . . . c30244_5us3 1 . 4 . 1894 . 1 1 22 B3K HG3 H -3.164 -3.329 4.312 . . . 1.0 . . . . . . . . . . . . A . 22 B3K HG3 . . . . . . . . . c30244_5us3 1 . 4 . 1895 . 1 1 22 B3K HNZ1 H -4.510 -7.651 6.149 . . . 1.0 . . . . . . . . . . . . A . 22 B3K HNZ1 . . . . . . . . . c30244_5us3 1 . 4 . 1896 . 1 1 22 B3K HNZ2 H -5.181 -6.967 7.542 . . . 1.0 . . . . . . . . . . . . A . 22 B3K HNZ2 . . . . . . . . . c30244_5us3 1 . 4 . 1897 . 1 1 22 B3K N N -2.865 -3.435 1.951 . . . 1.0 . . . . . . . . . . . . A . 22 B3K N . . . . . . . . . c30244_5us3 1 . 4 . 1898 . 1 1 22 B3K NZ N -4.309 -7.352 7.124 . . . 1.0 . . . . . . . . . . . . A . 22 B3K NZ . . . . . . . . . c30244_5us3 1 . 4 . 1899 . 1 1 22 B3K O O -6.333 -4.805 0.044 . . . 1.0 . . . . . . . . . . . . A . 22 B3K O . . . . . . . . . c30244_5us3 1 . 4 . 1900 . 1 1 23 THR C C -3.702 -4.526 -2.357 . . . 1.0 . . . . . . . . . . . . A . 23 THR C . . . . . . . . . c30244_5us3 1 . 4 . 1901 . 1 1 23 THR CA C -4.681 -3.502 -1.807 . . . 1.0 . . . . . . . . . . . . A . 23 THR CA . . . . . . . . . c30244_5us3 1 . 4 . 1902 . 1 1 23 THR CB C -4.515 -2.133 -2.529 . . . 1.0 . . . . . . . . . . . . A . 23 THR CB . . . . . . . . . c30244_5us3 1 . 4 . 1903 . 1 1 23 THR CG2 C -5.160 -2.163 -3.909 . . . 1.0 . . . . . . . . . . . . A . 23 THR CG2 . . . . . . . . . c30244_5us3 1 . 4 . 1904 . 1 1 23 THR H H -3.804 -2.900 0.048 . . . 1.0 . . . . . . . . . . . . A . 23 THR H . . . . . . . . . c30244_5us3 1 . 4 . 1905 . 1 1 23 THR HA H -5.675 -3.867 -2.010 . . . 1.0 . . . . . . . . . . . . A . 23 THR HA . . . . . . . . . c30244_5us3 1 . 4 . 1906 . 1 1 23 THR HB H -3.456 -1.916 -2.649 . . . 1.0 . . . . . . . . . . . . A . 23 THR HB . . . . . . . . . c30244_5us3 1 . 4 . 1907 . 1 1 23 THR HG1 H -4.728 -1.073 -0.879 . . . 1.0 . . . . . . . . . . . . A . 23 THR HG1 . . . . . . . . . c30244_5us3 1 . 4 . 1908 . 1 1 23 THR HG21 H -4.967 -1.230 -4.417 . . . 1.0 . . . . . . . . . . . . A . 23 THR HG21 . . . . . . . . . c30244_5us3 1 . 4 . 1909 . 1 1 23 THR HG22 H -6.226 -2.303 -3.804 . . . 1.0 . . . . . . . . . . . . A . 23 THR HG22 . . . . . . . . . c30244_5us3 1 . 4 . 1910 . 1 1 23 THR HG23 H -4.743 -2.980 -4.478 . . . 1.0 . . . . . . . . . . . . A . 23 THR HG23 . . . . . . . . . c30244_5us3 1 . 4 . 1911 . 1 1 23 THR N N -4.561 -3.411 -0.344 . . . 1.0 . . . . . . . . . . . . A . 23 THR N . . . . . . . . . c30244_5us3 1 . 4 . 1912 . 1 1 23 THR O O -4.083 -5.346 -3.198 . . . 1.0 . . . . . . . . . . . . A . 23 THR O . . . . . . . . . c30244_5us3 1 . 4 . 1913 . 1 1 23 THR OG1 O -5.122 -1.091 -1.754 . . . 1.0 . . . . . . . . . . . . A . 23 THR OG1 . . . . . . . . . c30244_5us3 1 . 4 . 1914 . 1 1 24 HIS C C -1.891 -6.849 -1.859 . . . 1.0 . . . . . . . . . . . . A . 24 HIS C . . . . . . . . . c30244_5us3 1 . 4 . 1915 . 1 1 24 HIS CA C -1.439 -5.483 -2.314 . . . 1.0 . . . . . . . . . . . . A . 24 HIS CA . . . . . . . . . c30244_5us3 1 . 4 . 1916 . 1 1 24 HIS CB C -0.059 -5.175 -1.746 . . . 1.0 . . . . . . . . . . . . A . 24 HIS CB . . . . . . . . . c30244_5us3 1 . 4 . 1917 . 1 1 24 HIS CD2 C 0.620 -2.895 -2.735 . . . 1.0 . . . . . . . . . . . . A . 24 HIS CD2 . . . . . . . . . c30244_5us3 1 . 4 . 1918 . 1 1 24 HIS CE1 C 2.171 -3.513 -4.081 . . . 1.0 . . . . . . . . . . . . A . 24 HIS CE1 . . . . . . . . . c30244_5us3 1 . 4 . 1919 . 1 1 24 HIS CG C 0.737 -4.234 -2.588 . . . 1.0 . . . . . . . . . . . . A . 24 HIS CG . . . . . . . . . c30244_5us3 1 . 4 . 1920 . 1 1 24 HIS H H -2.172 -3.748 -1.294 . . . 1.0 . . . . . . . . . . . . A . 24 HIS H . . . . . . . . . c30244_5us3 1 . 4 . 1921 . 1 1 24 HIS HA H -1.424 -5.474 -3.364 . . . 1.0 . . . . . . . . . . . . A . 24 HIS HA . . . . . . . . . c30244_5us3 1 . 4 . 1922 . 1 1 24 HIS HB2 H -0.189 -4.731 -0.772 . . . 1.0 . . . . . . . . . . . . A . 24 HIS HB2 . . . . . . . . . c30244_5us3 1 . 4 . 1923 . 1 1 24 HIS HB3 H 0.499 -6.095 -1.647 . . . 1.0 . . . . . . . . . . . . A . 24 HIS HB3 . . . . . . . . . c30244_5us3 1 . 4 . 1924 . 1 1 24 HIS HD1 H 2.126 -5.513 -3.559 . . . 1.0 . . . . . . . . . . . . A . 24 HIS HD1 . . . . . . . . . c30244_5us3 1 . 4 . 1925 . 1 1 24 HIS HD2 H 0.036 -2.219 -2.116 . . . 1.0 . . . . . . . . . . . . A . 24 HIS HD2 . . . . . . . . . c30244_5us3 1 . 4 . 1926 . 1 1 24 HIS HE1 H 3.007 -3.444 -4.760 . . . 1.0 . . . . . . . . . . . . A . 24 HIS HE1 . . . . . . . . . c30244_5us3 1 . 4 . 1927 . 1 1 24 HIS N N -2.438 -4.479 -1.896 . . . 1.0 . . . . . . . . . . . . A . 24 HIS N . . . . . . . . . c30244_5us3 1 . 4 . 1928 . 1 1 24 HIS ND1 N 1.750 -4.615 -3.456 . . . 1.0 . . . . . . . . . . . . A . 24 HIS ND1 . . . . . . . . . c30244_5us3 1 . 4 . 1929 . 1 1 24 HIS NE2 N 1.514 -2.486 -3.692 . . . 1.0 . . . . . . . . . . . . A . 24 HIS NE2 . . . . . . . . . c30244_5us3 1 . 4 . 1930 . 1 1 24 HIS O O -1.589 -7.889 -2.452 . . . 1.0 . . . . . . . . . . . . A . 24 HIS O . . . . . . . . . c30244_5us3 1 . 4 . 1931 . 1 1 25 . C C -5.802 -8.329 -0.218 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q C . . . . . . . . . c30244_5us3 1 . 4 . 1932 . 1 1 25 . CA C -4.681 -7.341 0.023 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q CA . . . . . . . . . c30244_5us3 1 . 4 . 1933 . 1 1 25 . CB C -3.280 -7.874 -0.154 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q CB . . . . . . . . . c30244_5us3 1 . 4 . 1934 . 1 1 25 . CD C -1.258 -8.830 1.106 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q CD . . . . . . . . . c30244_5us3 1 . 4 . 1935 . 1 1 25 . CE C -0.195 -7.901 1.661 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q CE . . . . . . . . . c30244_5us3 1 . 4 . 1936 . 1 1 25 . CG C -2.660 -8.238 1.202 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q CG . . . . . . . . . c30244_5us3 1 . 4 . 1937 . 1 1 25 . H11 H 0.038 -7.059 -0.125 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q H11 . . . . . . . . . c30244_5us3 1 . 4 . 1938 . 1 1 25 . H12 H 1.037 -6.431 1.138 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q H12 . . . . . . . . . c30244_5us3 1 . 4 . 1939 . 1 1 25 . H8 H -1.036 -9.028 0.067 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q H8 . . . . . . . . . c30244_5us3 1 . 4 . 1940 . 1 1 25 . H9 H -1.228 -9.757 1.661 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q H9 . . . . . . . . . c30244_5us3 1 . 4 . 1941 . 1 1 25 . HA H -4.781 -6.944 1.018 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q HA . . . . . . . . . c30244_5us3 1 . 4 . 1942 . 1 1 25 . HAA H -4.783 -6.526 -0.699 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q HAA . . . . . . . . . c30244_5us3 1 . 4 . 1943 . 1 1 25 . HB H -3.277 -8.723 -0.826 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q HB . . . . . . . . . c30244_5us3 1 . 4 . 1944 . 1 1 25 . HG H -3.300 -8.956 1.694 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q HG . . . . . . . . . c30244_5us3 1 . 4 . 1945 . 1 1 25 . HGA H -2.606 -7.347 1.808 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q HGA . . . . . . . . . c30244_5us3 1 . 4 . 1946 . 1 1 25 . HN H -2.737 -5.867 -0.386 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q HN . . . . . . . . . c30244_5us3 1 . 4 . 1947 . 1 1 25 . N N -2.620 -6.770 -0.781 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q N . . . . . . . . . c30244_5us3 1 . 4 . 1948 . 1 1 25 . NF2 N 0.349 -7.044 0.804 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q NF2 . . . . . . . . . c30244_5us3 1 . 4 . 1949 . 1 1 25 . O O -5.597 -9.547 -0.275 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q O . . . . . . . . . c30244_5us3 1 . 4 . 1950 . 1 1 25 . OF1 O 0.133 -7.953 2.846 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q OF1 . . . . . . . . . c30244_5us3 1 . 4 . 1951 . 1 1 26 ASN C C -8.660 -8.450 -2.049 . . . 1.0 . . . . . . . . . . . . A . 26 ASN C . . . . . . . . . c30244_5us3 1 . 4 . 1952 . 1 1 26 ASN CA C -8.220 -8.552 -0.590 . . . 1.0 . . . . . . . . . . . . A . 26 ASN CA . . . . . . . . . c30244_5us3 1 . 4 . 1953 . 1 1 26 ASN CB C -9.352 -8.082 0.331 . . . 1.0 . . . . . . . . . . . . A . 26 ASN CB . . . . . . . . . c30244_5us3 1 . 4 . 1954 . 1 1 26 ASN CG C -9.114 -8.452 1.784 . . . 1.0 . . . . . . . . . . . . A . 26 ASN CG . . . . . . . . . c30244_5us3 1 . 4 . 1955 . 1 1 26 ASN H H -7.080 -6.781 -0.287 . . . 1.0 . . . . . . . . . . . . A . 26 ASN H . . . . . . . . . c30244_5us3 1 . 4 . 1956 . 1 1 26 ASN HA H -7.993 -9.584 -0.369 . . . 1.0 . . . . . . . . . . . . A . 26 ASN HA . . . . . . . . . c30244_5us3 1 . 4 . 1957 . 1 1 26 ASN HB2 H -9.440 -7.008 0.264 . . . 1.0 . . . . . . . . . . . . A . 26 ASN HB2 . . . . . . . . . c30244_5us3 1 . 4 . 1958 . 1 1 26 ASN HB3 H -10.279 -8.535 0.010 . . . 1.0 . . . . . . . . . . . . A . 26 ASN HB3 . . . . . . . . . c30244_5us3 1 . 4 . 1959 . 1 1 26 ASN HD21 H -8.167 -6.732 2.091 . . . 1.0 . . . . . . . . . . . . A . 26 ASN HD21 . . . . . . . . . c30244_5us3 1 . 4 . 1960 . 1 1 26 ASN HD22 H -8.290 -7.777 3.462 . . . 1.0 . . . . . . . . . . . . A . 26 ASN HD22 . . . . . . . . . c30244_5us3 1 . 4 . 1961 . 1 1 26 ASN N N -7.007 -7.766 -0.352 . . . 1.0 . . . . . . . . . . . . A . 26 ASN N . . . . . . . . . c30244_5us3 1 . 4 . 1962 . 1 1 26 ASN ND2 N -8.457 -7.564 2.520 . . . 1.0 . . . . . . . . . . . . A . 26 ASN ND2 . . . . . . . . . c30244_5us3 1 . 4 . 1963 . 1 1 26 ASN O O -8.369 -7.459 -2.726 . . . 1.0 . . . . . . . . . . . . A . 26 ASN O . . . . . . . . . c30244_5us3 1 . 4 . 1964 . 1 1 26 ASN OD1 O -9.516 -9.524 2.238 . . . 1.0 . . . . . . . . . . . . A . 26 ASN OD1 . . . . . . . . . c30244_5us3 1 . 4 . 1965 . 1 1 27 LYS C C -11.297 -9.018 -3.999 . . . 1.0 . . . . . . . . . . . . A . 27 LYS C . . . . . . . . . c30244_5us3 1 . 4 . 1966 . 1 1 27 LYS CA C -9.859 -9.536 -3.902 . . . 1.0 . . . . . . . . . . . . A . 27 LYS CA . . . . . . . . . c30244_5us3 1 . 4 . 1967 . 1 1 27 LYS CB C -9.781 -10.967 -4.449 . . . 1.0 . . . . . . . . . . . . A . 27 LYS CB . . . . . . . . . c30244_5us3 1 . 4 . 1968 . 1 1 27 LYS CD C -8.352 -12.858 -5.293 . . . 1.0 . . . . . . . . . . . . A . 27 LYS CD . . . . . . . . . c30244_5us3 1 . 4 . 1969 . 1 1 27 LYS CE C -6.939 -13.333 -5.602 . . . 1.0 . . . . . . . . . . . . A . 27 LYS CE . . . . . . . . . c30244_5us3 1 . 4 . 1970 . 1 1 27 LYS CG C -8.366 -11.433 -4.760 . . . 1.0 . . . . . . . . . . . . A . 27 LYS CG . . . . . . . . . c30244_5us3 1 . 4 . 1971 . 1 1 27 LYS H H -9.560 -10.238 -1.922 . . . 1.0 . . . . . . . . . . . . A . 27 LYS H . . . . . . . . . c30244_5us3 1 . 4 . 1972 . 1 1 27 LYS HA H -9.223 -8.900 -4.499 . . . 1.0 . . . . . . . . . . . . A . 27 LYS HA . . . . . . . . . c30244_5us3 1 . 4 . 1973 . 1 1 27 LYS HB2 H -10.206 -11.642 -3.720 . . . 1.0 . . . . . . . . . . . . A . 27 LYS HB2 . . . . . . . . . c30244_5us3 1 . 4 . 1974 . 1 1 27 LYS HB3 H -10.363 -11.023 -5.358 . . . 1.0 . . . . . . . . . . . . A . 27 LYS HB3 . . . . . . . . . c30244_5us3 1 . 4 . 1975 . 1 1 27 LYS HD2 H -8.785 -13.512 -4.551 . . . 1.0 . . . . . . . . . . . . A . 27 LYS HD2 . . . . . . . . . c30244_5us3 1 . 4 . 1976 . 1 1 27 LYS HD3 H -8.942 -12.899 -6.198 . . . 1.0 . . . . . . . . . . . . A . 27 LYS HD3 . . . . . . . . . c30244_5us3 1 . 4 . 1977 . 1 1 27 LYS HE2 H -6.301 -13.086 -4.768 . . . 1.0 . . . . . . . . . . . . A . 27 LYS HE2 . . . . . . . . . c30244_5us3 1 . 4 . 1978 . 1 1 27 LYS HE3 H -6.956 -14.404 -5.736 . . . 1.0 . . . . . . . . . . . . A . 27 LYS HE3 . . . . . . . . . c30244_5us3 1 . 4 . 1979 . 1 1 27 LYS HG2 H -7.936 -10.778 -5.503 . . . 1.0 . . . . . . . . . . . . A . 27 LYS HG2 . . . . . . . . . c30244_5us3 1 . 4 . 1980 . 1 1 27 LYS HG3 H -7.777 -11.390 -3.856 . . . 1.0 . . . . . . . . . . . . A . 27 LYS HG3 . . . . . . . . . c30244_5us3 1 . 4 . 1981 . 1 1 27 LYS HZ1 H -6.987 -12.930 -7.653 . . . 1.0 . . . . . . . . . . . . A . 27 LYS HZ1 . . . . . . . . . c30244_5us3 1 . 4 . 1982 . 1 1 27 LYS HZ2 H -5.425 -13.045 -7.015 . . . 1.0 . . . . . . . . . . . . A . 27 LYS HZ2 . . . . . . . . . c30244_5us3 1 . 4 . 1983 . 1 1 27 LYS HZ3 H -6.358 -11.665 -6.722 . . . 1.0 . . . . . . . . . . . . A . 27 LYS HZ3 . . . . . . . . . c30244_5us3 1 . 4 . 1984 . 1 1 27 LYS N N -9.365 -9.486 -2.521 . . . 1.0 . . . . . . . . . . . . A . 27 LYS N . . . . . . . . . c30244_5us3 1 . 4 . 1985 . 1 1 27 LYS NZ N -6.388 -12.699 -6.834 . . . 1.0 . . . . . . . . . . . . A . 27 LYS NZ . . . . . . . . . c30244_5us3 1 . 4 . 1986 . 1 1 27 LYS O O -11.633 -8.284 -4.933 . . . 1.0 . . . . . . . . . . . . A . 27 LYS O . . . . . . . . . c30244_5us3 1 . 4 . 1987 . 1 1 28 LYS C C -13.865 -8.306 -1.665 . . . 1.0 . . . . . . . . . . . . A . 28 LYS C . . . . . . . . . c30244_5us3 1 . 4 . 1988 . 1 1 28 LYS CA C -13.537 -8.988 -2.992 . . . 1.0 . . . . . . . . . . . . A . 28 LYS CA . . . . . . . . . c30244_5us3 1 . 4 . 1989 . 1 1 28 LYS CB C -14.465 -10.188 -3.216 . . . 1.0 . . . . . . . . . . . . A . 28 LYS CB . . . . . . . . . c30244_5us3 1 . 4 . 1990 . 1 1 28 LYS CD C -15.435 -11.867 -4.817 . . . 1.0 . . . . . . . . . . . . A . 28 LYS CD . . . . . . . . . c30244_5us3 1 . 4 . 1991 . 1 1 28 LYS CE C -15.463 -12.363 -6.253 . . . 1.0 . . . . . . . . . . . . A . 28 LYS CE . . . . . . . . . c30244_5us3 1 . 4 . 1992 . 1 1 28 LYS CG C -14.488 -10.689 -4.653 . . . 1.0 . . . . . . . . . . . . A . 28 LYS CG . . . . . . . . . c30244_5us3 1 . 4 . 1993 . 1 1 28 LYS H H -11.796 -9.990 -2.318 . . . 1.0 . . . . . . . . . . . . A . 28 LYS H . . . . . . . . . c30244_5us3 1 . 4 . 1994 . 1 1 28 LYS HA H -13.686 -8.277 -3.791 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HA . . . . . . . . . c30244_5us3 1 . 4 . 1995 . 1 1 28 LYS HB2 H -14.144 -11.000 -2.581 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HB2 . . . . . . . . . c30244_5us3 1 . 4 . 1996 . 1 1 28 LYS HB3 H -15.471 -9.906 -2.942 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HB3 . . . . . . . . . c30244_5us3 1 . 4 . 1997 . 1 1 28 LYS HD2 H -15.110 -12.671 -4.175 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HD2 . . . . . . . . . c30244_5us3 1 . 4 . 1998 . 1 1 28 LYS HD3 H -16.430 -11.556 -4.533 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HD3 . . . . . . . . . c30244_5us3 1 . 4 . 1999 . 1 1 28 LYS HE2 H -15.783 -11.554 -6.894 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HE2 . . . . . . . . . c30244_5us3 1 . 4 . 2000 . 1 1 28 LYS HE3 H -14.467 -12.672 -6.533 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HE3 . . . . . . . . . c30244_5us3 1 . 4 . 2001 . 1 1 28 LYS HG2 H -14.810 -9.887 -5.299 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HG2 . . . . . . . . . c30244_5us3 1 . 4 . 2002 . 1 1 28 LYS HG3 H -13.491 -11.000 -4.932 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HG3 . . . . . . . . . c30244_5us3 1 . 4 . 2003 . 1 1 28 LYS HZ1 H -16.391 -13.830 -7.416 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HZ1 . . . . . . . . . c30244_5us3 1 . 4 . 2004 . 1 1 28 LYS HZ2 H -17.361 -13.232 -6.167 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HZ2 . . . . . . . . . c30244_5us3 1 . 4 . 2005 . 1 1 28 LYS HZ3 H -16.102 -14.304 -5.818 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HZ3 . . . . . . . . . c30244_5us3 1 . 4 . 2006 . 1 1 28 LYS N N -12.134 -9.406 -3.028 . . . 1.0 . . . . . . . . . . . . A . 28 LYS N . . . . . . . . . c30244_5us3 1 . 4 . 2007 . 1 1 28 LYS NZ N -16.394 -13.512 -6.426 . . . 1.0 . . . . . . . . . . . . A . 28 LYS NZ . . . . . . . . . c30244_5us3 1 . 4 . 2008 . 1 1 28 LYS O O -13.808 -8.922 -0.598 . . . 1.0 . . . . . . . . . . . . A . 28 LYS O . . . . . . . . . c30244_5us3 1 . 4 . 2009 . 1 1 29 NH2 HN1 H -14.224 -6.597 -2.615 . . . 1.0 . . . . . . . . . . . . A . 29 NH2 HN1 . . . . . . . . . c30244_5us3 1 . 4 . 2010 . 1 1 29 NH2 HN2 H -14.406 -6.553 -0.898 . . . 1.0 . . . . . . . . . . . . A . 29 NH2 HN2 . . . . . . . . . c30244_5us3 1 . 4 . 2011 . 1 1 29 NH2 N N -14.199 -7.022 -1.733 . . . 1.0 . . . . . . . . . . . . A . 29 NH2 N . . . . . . . . . c30244_5us3 1 . 4 . 2012 . 2 2 1 ZN ZN Zn 1.837 -0.736 -4.322 . . . 1.0 . . . . . . . . . . . . A . 101 ZN ZN . . . . . . . . . c30244_5us3 1 . 5 . 2013 . 1 1 1 LYS C C 7.964 3.454 5.603 . . . 1.0 . . . . . . . . . . . . A . 1 LYS C . . . . . . . . . c30244_5us3 1 . 5 . 2014 . 1 1 1 LYS CA C 8.713 2.404 6.426 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CA . . . . . . . . . c30244_5us3 1 . 5 . 2015 . 1 1 1 LYS CB C 9.920 3.048 7.116 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CB . . . . . . . . . c30244_5us3 1 . 5 . 2016 . 1 1 1 LYS CD C 11.665 2.917 8.922 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CD . . . . . . . . . c30244_5us3 1 . 5 . 2017 . 1 1 1 LYS CE C 12.226 2.093 10.069 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CE . . . . . . . . . c30244_5us3 1 . 5 . 2018 . 1 1 1 LYS CG C 10.500 2.212 8.248 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CG . . . . . . . . . c30244_5us3 1 . 5 . 2019 . 1 1 1 LYS H1 H 9.655 0.559 6.153 . . . 1.0 . . . . . . . . . . . . A . 1 LYS H1 . . . . . . . . . c30244_5us3 1 . 5 . 2020 . 1 1 1 LYS H2 H 9.783 1.598 4.824 . . . 1.0 . . . . . . . . . . . . A . 1 LYS H2 . . . . . . . . . c30244_5us3 1 . 5 . 2021 . 1 1 1 LYS H3 H 8.322 0.805 5.138 . . . 1.0 . . . . . . . . . . . . A . 1 LYS H3 . . . . . . . . . c30244_5us3 1 . 5 . 2022 . 1 1 1 LYS HA H 8.041 2.020 7.181 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HA . . . . . . . . . c30244_5us3 1 . 5 . 2023 . 1 1 1 LYS HB2 H 10.696 3.208 6.383 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HB2 . . . . . . . . . c30244_5us3 1 . 5 . 2024 . 1 1 1 LYS HB3 H 9.620 4.004 7.522 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HB3 . . . . . . . . . c30244_5us3 1 . 5 . 2025 . 1 1 1 LYS HD2 H 12.446 3.078 8.193 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HD2 . . . . . . . . . c30244_5us3 1 . 5 . 2026 . 1 1 1 LYS HD3 H 11.326 3.869 9.305 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HD3 . . . . . . . . . c30244_5us3 1 . 5 . 2027 . 1 1 1 LYS HE2 H 11.438 1.917 10.788 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HE2 . . . . . . . . . c30244_5us3 1 . 5 . 2028 . 1 1 1 LYS HE3 H 12.575 1.147 9.680 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HE3 . . . . . . . . . c30244_5us3 1 . 5 . 2029 . 1 1 1 LYS HG2 H 9.729 2.033 8.982 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HG2 . . . . . . . . . c30244_5us3 1 . 5 . 2030 . 1 1 1 LYS HG3 H 10.844 1.270 7.846 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HG3 . . . . . . . . . c30244_5us3 1 . 5 . 2031 . 1 1 1 LYS HZ1 H 14.130 2.952 10.077 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HZ1 . . . . . . . . . c30244_5us3 1 . 5 . 2032 . 1 1 1 LYS HZ2 H 13.713 2.200 11.533 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HZ2 . . . . . . . . . c30244_5us3 1 . 5 . 2033 . 1 1 1 LYS HZ3 H 13.038 3.697 11.133 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HZ3 . . . . . . . . . c30244_5us3 1 . 5 . 2034 . 1 1 1 LYS N N 9.149 1.262 5.576 . . . 1.0 . . . . . . . . . . . . A . 1 LYS N . . . . . . . . . c30244_5us3 1 . 5 . 2035 . 1 1 1 LYS NZ N 13.356 2.784 10.750 . . . 1.0 . . . . . . . . . . . . A . 1 LYS NZ . . . . . . . . . c30244_5us3 1 . 5 . 2036 . 1 1 1 LYS O O 6.976 4.023 6.072 . . . 1.0 . . . . . . . . . . . . A . 1 LYS O . . . . . . . . . c30244_5us3 1 . 5 . 2037 . 1 1 2 TYR C C 7.715 4.116 2.052 . . . 1.0 . . . . . . . . . . . . A . 2 TYR C . . . . . . . . . c30244_5us3 1 . 5 . 2038 . 1 1 2 TYR CA C 7.835 4.684 3.478 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CA . . . . . . . . . c30244_5us3 1 . 5 . 2039 . 1 1 2 TYR CB C 8.659 5.977 3.455 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CB . . . . . . . . . c30244_5us3 1 . 5 . 2040 . 1 1 2 TYR CD1 C 7.557 7.765 4.858 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CD1 . . . . . . . . . c30244_5us3 1 . 5 . 2041 . 1 1 2 TYR CD2 C 9.420 6.600 5.781 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CD2 . . . . . . . . . c30244_5us3 1 . 5 . 2042 . 1 1 2 TYR CE1 C 7.448 8.515 6.013 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CE1 . . . . . . . . . c30244_5us3 1 . 5 . 2043 . 1 1 2 TYR CE2 C 9.317 7.345 6.940 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CE2 . . . . . . . . . c30244_5us3 1 . 5 . 2044 . 1 1 2 TYR CG C 8.543 6.796 4.722 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CG . . . . . . . . . c30244_5us3 1 . 5 . 2045 . 1 1 2 TYR CZ C 8.330 8.301 7.051 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CZ . . . . . . . . . c30244_5us3 1 . 5 . 2046 . 1 1 2 TYR H H 9.243 3.217 4.076 . . . 1.0 . . . . . . . . . . . . A . 2 TYR H . . . . . . . . . c30244_5us3 1 . 5 . 2047 . 1 1 2 TYR HA H 6.848 4.900 3.853 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HA . . . . . . . . . c30244_5us3 1 . 5 . 2048 . 1 1 2 TYR HB2 H 9.700 5.729 3.316 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HB2 . . . . . . . . . c30244_5us3 1 . 5 . 2049 . 1 1 2 TYR HB3 H 8.330 6.592 2.630 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HB3 . . . . . . . . . c30244_5us3 1 . 5 . 2050 . 1 1 2 TYR HD1 H 6.868 7.930 4.043 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HD1 . . . . . . . . . c30244_5us3 1 . 5 . 2051 . 1 1 2 TYR HD2 H 10.193 5.851 5.690 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HD2 . . . . . . . . . c30244_5us3 1 . 5 . 2052 . 1 1 2 TYR HE1 H 6.674 9.264 6.099 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HE1 . . . . . . . . . c30244_5us3 1 . 5 . 2053 . 1 1 2 TYR HE2 H 10.009 7.178 7.752 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HE2 . . . . . . . . . c30244_5us3 1 . 5 . 2054 . 1 1 2 TYR HH H 9.096 9.349 8.470 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HH . . . . . . . . . c30244_5us3 1 . 5 . 2055 . 1 1 2 TYR N N 8.449 3.705 4.378 . . . 1.0 . . . . . . . . . . . . A . 2 TYR N . . . . . . . . . c30244_5us3 1 . 5 . 2056 . 1 1 2 TYR O O 8.558 3.306 1.656 . . . 1.0 . . . . . . . . . . . . A . 2 TYR O . . . . . . . . . c30244_5us3 1 . 5 . 2057 . 1 1 2 TYR OH O 8.225 9.046 8.203 . . . 1.0 . . . . . . . . . . . . A . 2 TYR OH . . . . . . . . . c30244_5us3 1 . 5 . 2058 . 1 1 3 . C C 6.108 2.564 -0.211 . . . 1.0 . . . . . . . . . . . . A . 3 MAA C . . . . . . . . . c30244_5us3 1 . 5 . 2059 . 1 1 3 . CA C 6.465 4.028 -0.152 . . . 1.0 . . . . . . . . . . . . A . 3 MAA CA . . . . . . . . . c30244_5us3 1 . 5 . 2060 . 1 1 3 . CB C 7.700 4.224 -1.014 . . . 1.0 . . . . . . . . . . . . A . 3 MAA CB . . . . . . . . . c30244_5us3 1 . 5 . 2061 . 1 1 3 . CM C 5.623 5.447 1.774 . . . 1.0 . . . . . . . . . . . . A . 3 MAA CM . . . . . . . . . c30244_5us3 1 . 5 . 2062 . 1 1 3 . HA H 5.652 4.569 -0.642 . . . 1.0 . . . . . . . . . . . . A . 3 MAA HA . . . . . . . . . c30244_5us3 1 . 5 . 2063 . 1 1 3 . HB1 H 8.576 3.951 -0.452 . . . 1.0 . . . . . . . . . . . . A . 3 MAA HB1 . . . . . . . . . c30244_5us3 1 . 5 . 2064 . 1 1 3 . HB2 H 7.768 5.251 -1.331 . . . 1.0 . . . . . . . . . . . . A . 3 MAA HB2 . . . . . . . . . c30244_5us3 1 . 5 . 2065 . 1 1 3 . HB3 H 7.609 3.573 -1.878 . . . 1.0 . . . . . . . . . . . . A . 3 MAA HB3 . . . . . . . . . c30244_5us3 1 . 5 . 2066 . 1 1 3 . HM1 H 5.011 4.929 2.496 . . . 1.0 . . . . . . . . . . . . A . 3 MAA HM1 . . . . . . . . . c30244_5us3 1 . 5 . 2067 . 1 1 3 . HM2 H 5.001 5.797 0.964 . . . 1.0 . . . . . . . . . . . . A . 3 MAA HM2 . . . . . . . . . c30244_5us3 1 . 5 . 2068 . 1 1 3 . HM3 H 6.100 6.291 2.248 . . . 1.0 . . . . . . . . . . . . A . 3 MAA HM3 . . . . . . . . . c30244_5us3 1 . 5 . 2069 . 1 1 3 . N N 6.656 4.518 1.247 . . . 1.0 . . . . . . . . . . . . A . 3 MAA N . . . . . . . . . c30244_5us3 1 . 5 . 2070 . 1 1 3 . O O 6.385 1.785 0.705 . . . 1.0 . . . . . . . . . . . . A . 3 MAA O . . . . . . . . . c30244_5us3 1 . 5 . 2071 . 1 1 4 CYS C C 6.199 -0.120 -1.836 . . . 1.0 . . . . . . . . . . . . A . 4 CYS C . . . . . . . . . c30244_5us3 1 . 5 . 2072 . 1 1 4 CYS CA C 5.076 0.887 -1.665 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CA . . . . . . . . . c30244_5us3 1 . 5 . 2073 . 1 1 4 CYS CB C 4.235 0.990 -2.897 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CB . . . . . . . . . c30244_5us3 1 . 5 . 2074 . 1 1 4 CYS H H 5.395 2.919 -2.021 . . . 1.0 . . . . . . . . . . . . A . 4 CYS H . . . . . . . . . c30244_5us3 1 . 5 . 2075 . 1 1 4 CYS HA H 4.462 0.518 -0.873 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HA . . . . . . . . . c30244_5us3 1 . 5 . 2076 . 1 1 4 CYS HB2 H 3.284 1.443 -2.643 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB2 . . . . . . . . . c30244_5us3 1 . 5 . 2077 . 1 1 4 CYS HB3 H 4.743 1.616 -3.612 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB3 . . . . . . . . . c30244_5us3 1 . 5 . 2078 . 1 1 4 CYS N N 5.528 2.220 -1.346 . . . 1.0 . . . . . . . . . . . . A . 4 CYS N . . . . . . . . . c30244_5us3 1 . 5 . 2079 . 1 1 4 CYS O O 7.280 0.196 -2.341 . . . 1.0 . . . . . . . . . . . . A . 4 CYS O . . . . . . . . . c30244_5us3 1 . 5 . 2080 . 1 1 4 CYS SG S 3.919 -0.580 -3.679 . . . 1.0 . . . . . . . . . . . . A . 4 CYS SG . . . . . . . . . c30244_5us3 1 . 5 . 2081 . 1 1 5 PRO C C 6.911 -3.290 -2.731 . . . 1.0 . . . . . . . . . . . . A . 5 PRO C . . . . . . . . . c30244_5us3 1 . 5 . 2082 . 1 1 5 PRO CA C 6.862 -2.476 -1.430 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CA . . . . . . . . . c30244_5us3 1 . 5 . 2083 . 1 1 5 PRO CB C 6.316 -3.310 -0.283 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CB . . . . . . . . . c30244_5us3 1 . 5 . 2084 . 1 1 5 PRO CD C 4.619 -1.782 -0.758 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CD . . . . . . . . . c30244_5us3 1 . 5 . 2085 . 1 1 5 PRO CG C 4.845 -3.222 -0.466 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CG . . . . . . . . . c30244_5us3 1 . 5 . 2086 . 1 1 5 PRO HA H 7.849 -2.145 -1.193 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HA . . . . . . . . . c30244_5us3 1 . 5 . 2087 . 1 1 5 PRO HB2 H 6.671 -4.327 -0.343 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HB2 . . . . . . . . . c30244_5us3 1 . 5 . 2088 . 1 1 5 PRO HB3 H 6.585 -2.851 0.652 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HB3 . . . . . . . . . c30244_5us3 1 . 5 . 2089 . 1 1 5 PRO HD2 H 3.789 -1.656 -1.440 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HD2 . . . . . . . . . c30244_5us3 1 . 5 . 2090 . 1 1 5 PRO HD3 H 4.448 -1.238 0.158 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HD3 . . . . . . . . . c30244_5us3 1 . 5 . 2091 . 1 1 5 PRO HG2 H 4.535 -3.829 -1.307 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HG2 . . . . . . . . . c30244_5us3 1 . 5 . 2092 . 1 1 5 PRO HG3 H 4.329 -3.507 0.435 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HG3 . . . . . . . . . c30244_5us3 1 . 5 . 2093 . 1 1 5 PRO N N 5.912 -1.363 -1.395 . . . 1.0 . . . . . . . . . . . . A . 5 PRO N . . . . . . . . . c30244_5us3 1 . 5 . 2094 . 1 1 5 PRO O O 7.914 -3.962 -2.992 . . . 1.0 . . . . . . . . . . . . A . 5 PRO O . . . . . . . . . c30244_5us3 1 . 5 . 2095 . 1 1 6 GLU C C 5.480 -3.178 -5.998 . . . 1.0 . . . . . . . . . . . . A . 6 GLU C . . . . . . . . . c30244_5us3 1 . 5 . 2096 . 1 1 6 GLU CA C 5.822 -4.028 -4.788 . . . 1.0 . . . . . . . . . . . . A . 6 GLU CA . . . . . . . . . c30244_5us3 1 . 5 . 2097 . 1 1 6 GLU CB C 4.876 -5.239 -4.702 . . . 1.0 . . . . . . . . . . . . A . 6 GLU CB . . . . . . . . . c30244_5us3 1 . 5 . 2098 . 1 1 6 GLU CD C 6.097 -7.111 -3.517 . . . 1.0 . . . . . . . . . . . . A . 6 GLU CD . . . . . . . . . c30244_5us3 1 . 5 . 2099 . 1 1 6 GLU CG C 5.020 -6.047 -3.424 . . . 1.0 . . . . . . . . . . . . A . 6 GLU CG . . . . . . . . . c30244_5us3 1 . 5 . 2100 . 1 1 6 GLU H H 5.096 -2.620 -3.309 . . . 1.0 . . . . . . . . . . . . A . 6 GLU H . . . . . . . . . c30244_5us3 1 . 5 . 2101 . 1 1 6 GLU HA H 6.822 -4.404 -4.929 . . . 1.0 . . . . . . . . . . . . A . 6 GLU HA . . . . . . . . . c30244_5us3 1 . 5 . 2102 . 1 1 6 GLU HB2 H 3.859 -4.899 -4.773 . . . 1.0 . . . . . . . . . . . . A . 6 GLU HB2 . . . . . . . . . c30244_5us3 1 . 5 . 2103 . 1 1 6 GLU HB3 H 5.081 -5.893 -5.536 . . . 1.0 . . . . . . . . . . . . A . 6 GLU HB3 . . . . . . . . . c30244_5us3 1 . 5 . 2104 . 1 1 6 GLU HG2 H 5.276 -5.366 -2.630 . . . 1.0 . . . . . . . . . . . . A . 6 GLU HG2 . . . . . . . . . c30244_5us3 1 . 5 . 2105 . 1 1 6 GLU HG3 H 4.076 -6.521 -3.203 . . . 1.0 . . . . . . . . . . . . A . 6 GLU HG3 . . . . . . . . . c30244_5us3 1 . 5 . 2106 . 1 1 6 GLU N N 5.848 -3.232 -3.536 . . . 1.0 . . . . . . . . . . . . A . 6 GLU N . . . . . . . . . c30244_5us3 1 . 5 . 2107 . 1 1 6 GLU O O 5.892 -3.497 -7.118 . . . 1.0 . . . . . . . . . . . . A . 6 GLU O . . . . . . . . . c30244_5us3 1 . 5 . 2108 . 1 1 6 GLU OE1 O 5.780 -8.242 -3.941 . . . 1.0 . . . . . . . . . . . . A . 6 GLU OE1 . . . . . . . . . c30244_5us3 1 . 5 . 2109 . 1 1 6 GLU OE2 O 7.259 -6.814 -3.166 . . . 1.0 . . . . . . . . . . . . A . 6 GLU OE2 . . . . . . . . . c30244_5us3 1 . 5 . 2110 . 1 1 7 CYS C C 4.606 0.290 -6.513 . . . 1.0 . . . . . . . . . . . . A . 7 CYS C . . . . . . . . . c30244_5us3 1 . 5 . 2111 . 1 1 7 CYS CA C 4.376 -1.191 -6.878 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CA . . . . . . . . . c30244_5us3 1 . 5 . 2112 . 1 1 7 CYS CB C 2.978 -1.412 -7.483 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CB . . . . . . . . . c30244_5us3 1 . 5 . 2113 . 1 1 7 CYS H H 4.455 -1.902 -4.843 . . . 1.0 . . . . . . . . . . . . A . 7 CYS H . . . . . . . . . c30244_5us3 1 . 5 . 2114 . 1 1 7 CYS HA H 5.077 -1.439 -7.641 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HA . . . . . . . . . c30244_5us3 1 . 5 . 2115 . 1 1 7 CYS HB2 H 2.979 -0.956 -8.458 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB2 . . . . . . . . . c30244_5us3 1 . 5 . 2116 . 1 1 7 CYS HB3 H 2.806 -2.470 -7.587 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB3 . . . . . . . . . c30244_5us3 1 . 5 . 2117 . 1 1 7 CYS N N 4.728 -2.101 -5.774 . . . 1.0 . . . . . . . . . . . . A . 7 CYS N . . . . . . . . . c30244_5us3 1 . 5 . 2118 . 1 1 7 CYS O O 3.837 0.867 -5.752 . . . 1.0 . . . . . . . . . . . . A . 7 CYS O . . . . . . . . . c30244_5us3 1 . 5 . 2119 . 1 1 7 CYS SG S 1.562 -0.699 -6.602 . . . 1.0 . . . . . . . . . . . . A . 7 CYS SG . . . . . . . . . c30244_5us3 1 . 5 . 2120 . 1 1 8 PRO C C 4.980 3.412 -7.047 . . . 1.0 . . . . . . . . . . . . A . 8 PRO C . . . . . . . . . c30244_5us3 1 . 5 . 2121 . 1 1 8 PRO CA C 6.063 2.337 -6.845 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CA . . . . . . . . . c30244_5us3 1 . 5 . 2122 . 1 1 8 PRO CB C 7.226 2.563 -7.827 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CB . . . . . . . . . c30244_5us3 1 . 5 . 2123 . 1 1 8 PRO CD C 6.486 0.333 -8.155 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CD . . . . . . . . . c30244_5us3 1 . 5 . 2124 . 1 1 8 PRO CG C 7.700 1.207 -8.194 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CG . . . . . . . . . c30244_5us3 1 . 5 . 2125 . 1 1 8 PRO HA H 6.441 2.426 -5.837 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HA . . . . . . . . . c30244_5us3 1 . 5 . 2126 . 1 1 8 PRO HB2 H 6.868 3.098 -8.699 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HB2 . . . . . . . . . c30244_5us3 1 . 5 . 2127 . 1 1 8 PRO HB3 H 8.017 3.118 -7.348 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HB3 . . . . . . . . . c30244_5us3 1 . 5 . 2128 . 1 1 8 PRO HD2 H 5.964 0.351 -9.093 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HD2 . . . . . . . . . c30244_5us3 1 . 5 . 2129 . 1 1 8 PRO HD3 H 6.752 -0.673 -7.882 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HD3 . . . . . . . . . c30244_5us3 1 . 5 . 2130 . 1 1 8 PRO HG2 H 8.127 1.224 -9.189 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HG2 . . . . . . . . . c30244_5us3 1 . 5 . 2131 . 1 1 8 PRO HG3 H 8.427 0.862 -7.475 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HG3 . . . . . . . . . c30244_5us3 1 . 5 . 2132 . 1 1 8 PRO N N 5.648 0.933 -7.118 . . . 1.0 . . . . . . . . . . . . A . 8 PRO N . . . . . . . . . c30244_5us3 1 . 5 . 2133 . 1 1 8 PRO O O 5.231 4.457 -7.666 . . . 1.0 . . . . . . . . . . . . A . 8 PRO O . . . . . . . . . c30244_5us3 1 . 5 . 2134 . 1 1 9 LYS C C 2.969 5.367 -5.696 . . . 1.0 . . . . . . . . . . . . A . 9 LYS C . . . . . . . . . c30244_5us3 1 . 5 . 2135 . 1 1 9 LYS CA C 2.687 4.134 -6.569 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CA . . . . . . . . . c30244_5us3 1 . 5 . 2136 . 1 1 9 LYS CB C 1.335 3.470 -6.281 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CB . . . . . . . . . c30244_5us3 1 . 5 . 2137 . 1 1 9 LYS CD C 0.150 3.117 -8.487 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CD . . . . . . . . . c30244_5us3 1 . 5 . 2138 . 1 1 9 LYS CE C -0.275 2.099 -9.532 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CE . . . . . . . . . c30244_5us3 1 . 5 . 2139 . 1 1 9 LYS CG C 0.903 2.457 -7.337 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CG . . . . . . . . . c30244_5us3 1 . 5 . 2140 . 1 1 9 LYS H H 3.612 2.296 -6.090 . . . 1.0 . . . . . . . . . . . . A . 9 LYS H . . . . . . . . . c30244_5us3 1 . 5 . 2141 . 1 1 9 LYS HA H 2.670 4.486 -7.524 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HA . . . . . . . . . c30244_5us3 1 . 5 . 2142 . 1 1 9 LYS HB2 H 1.389 2.961 -5.330 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB2 . . . . . . . . . c30244_5us3 1 . 5 . 2143 . 1 1 9 LYS HB3 H 0.579 4.238 -6.234 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB3 . . . . . . . . . c30244_5us3 1 . 5 . 2144 . 1 1 9 LYS HD2 H -0.730 3.605 -8.095 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD2 . . . . . . . . . c30244_5us3 1 . 5 . 2145 . 1 1 9 LYS HD3 H 0.795 3.850 -8.950 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD3 . . . . . . . . . c30244_5us3 1 . 5 . 2146 . 1 1 9 LYS HE2 H 0.606 1.610 -9.920 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE2 . . . . . . . . . c30244_5us3 1 . 5 . 2147 . 1 1 9 LYS HE3 H -0.915 1.366 -9.062 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE3 . . . . . . . . . c30244_5us3 1 . 5 . 2148 . 1 1 9 LYS HG2 H 1.781 1.970 -7.730 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG2 . . . . . . . . . c30244_5us3 1 . 5 . 2149 . 1 1 9 LYS HG3 H 0.262 1.724 -6.874 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG3 . . . . . . . . . c30244_5us3 1 . 5 . 2150 . 1 1 9 LYS HZ1 H -0.407 3.441 -11.126 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ1 . . . . . . . . . c30244_5us3 1 . 5 . 2151 . 1 1 9 LYS HZ2 H -1.867 3.208 -10.306 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ2 . . . . . . . . . c30244_5us3 1 . 5 . 2152 . 1 1 9 LYS HZ3 H -1.288 2.016 -11.357 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ3 . . . . . . . . . c30244_5us3 1 . 5 . 2153 . 1 1 9 LYS N N 3.778 3.167 -6.509 . . . 1.0 . . . . . . . . . . . . A . 9 LYS N . . . . . . . . . c30244_5us3 1 . 5 . 2154 . 1 1 9 LYS NZ N -1.011 2.735 -10.660 . . . 1.0 . . . . . . . . . . . . A . 9 LYS NZ . . . . . . . . . c30244_5us3 1 . 5 . 2155 . 1 1 9 LYS O O 2.668 6.482 -6.122 . . . 1.0 . . . . . . . . . . . . A . 9 LYS O . . . . . . . . . c30244_5us3 1 . 5 . 2156 . 1 1 10 MMO C C 3.031 7.430 -3.424 . . . 1.0 . . . . . . . . . . . . A . 10 MMO C . . . . . . . . . c30244_5us3 1 . 5 . 2157 . 1 1 10 MMO CA C 3.984 6.242 -3.554 . . . 1.0 . . . . . . . . . . . . A . 10 MMO CA . . . . . . . . . c30244_5us3 1 . 5 . 2158 . 1 1 10 MMO CB C 5.389 6.664 -4.030 . . . 1.0 . . . . . . . . . . . . A . 10 MMO CB . . . . . . . . . c30244_5us3 1 . 5 . 2159 . 1 1 10 MMO CD C 7.750 7.052 -3.300 . . . 1.0 . . . . . . . . . . . . A . 10 MMO CD . . . . . . . . . c30244_5us3 1 . 5 . 2160 . 1 1 10 MMO CG C 6.286 7.226 -2.937 . . . 1.0 . . . . . . . . . . . . A . 10 MMO CG . . . . . . . . . c30244_5us3 1 . 5 . 2161 . 1 1 10 MMO CN C 3.774 3.829 -3.958 . . . 1.0 . . . . . . . . . . . . A . 10 MMO CN . . . . . . . . . c30244_5us3 1 . 5 . 2162 . 1 1 10 MMO CZ C 9.982 7.555 -2.321 . . . 1.0 . . . . . . . . . . . . A . 10 MMO CZ . . . . . . . . . c30244_5us3 1 . 5 . 2163 . 1 1 10 MMO HA H 4.061 5.774 -2.605 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HA . . . . . . . . . c30244_5us3 1 . 5 . 2164 . 1 1 10 MMO HC1 H 3.604 3.120 -4.749 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HC1 . . . . . . . . . c30244_5us3 1 . 5 . 2165 . 1 1 10 MMO HC2 H 3.081 3.647 -3.150 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HC2 . . . . . . . . . c30244_5us3 1 . 5 . 2166 . 1 1 10 MMO HC3 H 4.786 3.735 -3.597 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HC3 . . . . . . . . . c30244_5us3 1 . 5 . 2167 . 1 1 10 MMO HCB1 H 5.286 7.408 -4.804 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HCB1 . . . . . . . . . c30244_5us3 1 . 5 . 2168 . 1 1 10 MMO HCB2 H 5.879 5.795 -4.439 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HCB2 . . . . . . . . . c30244_5us3 1 . 5 . 2169 . 1 1 10 MMO HCD1 H 7.951 7.610 -4.202 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HCD1 . . . . . . . . . c30244_5us3 1 . 5 . 2170 . 1 1 10 MMO HCD2 H 7.938 6.002 -3.480 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HCD2 . . . . . . . . . c30244_5us3 1 . 5 . 2171 . 1 1 10 MMO HCG1 H 6.088 6.704 -2.012 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HCG1 . . . . . . . . . c30244_5us3 1 . 5 . 2172 . 1 1 10 MMO HCG2 H 6.077 8.278 -2.812 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HCG2 . . . . . . . . . c30244_5us3 1 . 5 . 2173 . 1 1 10 MMO HH11 H 11.612 7.174 -3.463 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HH11 . . . . . . . . . c30244_5us3 1 . 5 . 2174 . 1 1 10 MMO HH12 H 10.089 6.803 -4.199 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HH12 . . . . . . . . . c30244_5us3 1 . 5 . 2175 . 1 1 10 MMO HH21 H 10.229 8.315 -0.464 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HH21 . . . . . . . . . c30244_5us3 1 . 5 . 2176 . 1 1 10 MMO HH22 H 11.690 8.028 -1.350 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HH22 . . . . . . . . . c30244_5us3 1 . 5 . 2177 . 1 1 10 MMO N N 3.570 5.182 -4.479 . . . 1.0 . . . . . . . . . . . . A . 10 MMO N . . . . . . . . . c30244_5us3 1 . 5 . 2178 . 1 1 10 MMO NE N 8.644 7.523 -2.236 . . . 1.0 . . . . . . . . . . . . A . 10 MMO NE . . . . . . . . . c30244_5us3 1 . 5 . 2179 . 1 1 10 MMO NH1 N 10.613 7.143 -3.419 . . . 1.0 . . . . . . . . . . . . A . 10 MMO NH1 . . . . . . . . . c30244_5us3 1 . 5 . 2180 . 1 1 10 MMO NH2 N 10.693 8.003 -1.294 . . . 1.0 . . . . . . . . . . . . A . 10 MMO NH2 . . . . . . . . . c30244_5us3 1 . 5 . 2181 . 1 1 10 MMO O O 2.703 8.113 -4.396 . . . 1.0 . . . . . . . . . . . . A . 10 MMO O . . . . . . . . . c30244_5us3 1 . 5 . 2182 . 1 1 11 PHE C C 2.120 9.514 -0.625 . . . 1.0 . . . . . . . . . . . . A . 11 PHE C . . . . . . . . . c30244_5us3 1 . 5 . 2183 . 1 1 11 PHE CA C 1.651 8.695 -1.825 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CA . . . . . . . . . c30244_5us3 1 . 5 . 2184 . 1 1 11 PHE CB C 0.319 7.971 -1.513 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CB . . . . . . . . . c30244_5us3 1 . 5 . 2185 . 1 1 11 PHE CD1 C 0.223 6.127 -3.220 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CD1 . . . . . . . . . c30244_5us3 1 . 5 . 2186 . 1 1 11 PHE CD2 C 0.695 5.533 -0.958 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CD2 . . . . . . . . . c30244_5us3 1 . 5 . 2187 . 1 1 11 PHE CE1 C 0.364 4.817 -3.594 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CE1 . . . . . . . . . c30244_5us3 1 . 5 . 2188 . 1 1 11 PHE CE2 C 0.816 4.221 -1.337 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CE2 . . . . . . . . . c30244_5us3 1 . 5 . 2189 . 1 1 11 PHE CG C 0.382 6.511 -1.895 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CG . . . . . . . . . c30244_5us3 1 . 5 . 2190 . 1 1 11 PHE CZ C 0.650 3.865 -2.668 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CZ . . . . . . . . . c30244_5us3 1 . 5 . 2191 . 1 1 11 PHE H H 3.017 7.127 -1.455 . . . 1.0 . . . . . . . . . . . . A . 11 PHE H . . . . . . . . . c30244_5us3 1 . 5 . 2192 . 1 1 11 PHE HA H 1.515 9.346 -2.676 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HA . . . . . . . . . c30244_5us3 1 . 5 . 2193 . 1 1 11 PHE HB2 H 0.114 8.038 -0.454 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HB2 . . . . . . . . . c30244_5us3 1 . 5 . 2194 . 1 1 11 PHE HB3 H -0.485 8.432 -2.067 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HB3 . . . . . . . . . c30244_5us3 1 . 5 . 2195 . 1 1 11 PHE HD1 H -0.014 6.869 -3.961 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HD1 . . . . . . . . . c30244_5us3 1 . 5 . 2196 . 1 1 11 PHE HD2 H 0.851 5.798 0.077 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HD2 . . . . . . . . . c30244_5us3 1 . 5 . 2197 . 1 1 11 PHE HE1 H 0.265 4.528 -4.625 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HE1 . . . . . . . . . c30244_5us3 1 . 5 . 2198 . 1 1 11 PHE HE2 H 1.031 3.481 -0.591 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HE2 . . . . . . . . . c30244_5us3 1 . 5 . 2199 . 1 1 11 PHE HZ H 0.763 2.837 -2.999 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HZ . . . . . . . . . c30244_5us3 1 . 5 . 2200 . 1 1 11 PHE N N 2.631 7.667 -2.177 . . . 1.0 . . . . . . . . . . . . A . 11 PHE N . . . . . . . . . c30244_5us3 1 . 5 . 2201 . 1 1 11 PHE O O 1.359 10.313 -0.065 . . . 1.0 . . . . . . . . . . . . A . 11 PHE O . . . . . . . . . c30244_5us3 1 . 5 . 2202 . 1 1 12 NLE C C 3.363 9.598 2.237 . . . 1.0 . . . . . . . . . . . . A . 12 NLE C . . . . . . . . . c30244_5us3 1 . 5 . 2203 . 1 1 12 NLE CA C 4.033 9.995 0.908 . . . 1.0 . . . . . . . . . . . . A . 12 NLE CA . . . . . . . . . c30244_5us3 1 . 5 . 2204 . 1 1 12 NLE CB C 4.027 11.533 0.731 . . . 1.0 . . . . . . . . . . . . A . 12 NLE CB . . . . . . . . . c30244_5us3 1 . 5 . 2205 . 1 1 12 NLE CD C 4.331 12.013 -1.733 . . . 1.0 . . . . . . . . . . . . A . 12 NLE CD . . . . . . . . . c30244_5us3 1 . 5 . 2206 . 1 1 12 NLE CE C 5.298 12.534 -2.774 . . . 1.0 . . . . . . . . . . . . A . 12 NLE CE . . . . . . . . . c30244_5us3 1 . 5 . 2207 . 1 1 12 NLE CG C 4.974 12.044 -0.353 . . . 1.0 . . . . . . . . . . . . A . 12 NLE CG . . . . . . . . . c30244_5us3 1 . 5 . 2208 . 1 1 12 NLE H H 3.942 8.679 -0.757 . . . 1.0 . . . . . . . . . . . . A . 12 NLE H . . . . . . . . . c30244_5us3 1 . 5 . 2209 . 1 1 12 NLE HA H 5.060 9.661 0.944 . . . 1.0 . . . . . . . . . . . . A . 12 NLE HA . . . . . . . . . c30244_5us3 1 . 5 . 2210 . 1 1 12 NLE HB2 H 4.306 11.990 1.669 . . . 1.0 . . . . . . . . . . . . A . 12 NLE HB2 . . . . . . . . . c30244_5us3 1 . 5 . 2211 . 1 1 12 NLE HB3 H 3.026 11.845 0.475 . . . 1.0 . . . . . . . . . . . . A . 12 NLE HB3 . . . . . . . . . c30244_5us3 1 . 5 . 2212 . 1 1 12 NLE HD2 H 3.449 12.636 -1.734 . . . 1.0 . . . . . . . . . . . . A . 12 NLE HD2 . . . . . . . . . c30244_5us3 1 . 5 . 2213 . 1 1 12 NLE HD3 H 4.067 10.996 -1.984 . . . 1.0 . . . . . . . . . . . . A . 12 NLE HD3 . . . . . . . . . c30244_5us3 1 . 5 . 2214 . 1 1 12 NLE HE1 H 4.831 12.505 -3.747 . . . 1.0 . . . . . . . . . . . . A . 12 NLE HE1 . . . . . . . . . c30244_5us3 1 . 5 . 2215 . 1 1 12 NLE HE2 H 6.186 11.919 -2.781 . . . 1.0 . . . . . . . . . . . . A . 12 NLE HE2 . . . . . . . . . c30244_5us3 1 . 5 . 2216 . 1 1 12 NLE HE3 H 5.568 13.553 -2.535 . . . 1.0 . . . . . . . . . . . . A . 12 NLE HE3 . . . . . . . . . c30244_5us3 1 . 5 . 2217 . 1 1 12 NLE HG2 H 5.858 11.424 -0.363 . . . 1.0 . . . . . . . . . . . . A . 12 NLE HG2 . . . . . . . . . c30244_5us3 1 . 5 . 2218 . 1 1 12 NLE HG3 H 5.252 13.063 -0.123 . . . 1.0 . . . . . . . . . . . . A . 12 NLE HG3 . . . . . . . . . c30244_5us3 1 . 5 . 2219 . 1 1 12 NLE N N 3.401 9.313 -0.242 . . . 1.0 . . . . . . . . . . . . A . 12 NLE N . . . . . . . . . c30244_5us3 1 . 5 . 2220 . 1 1 12 NLE O O 3.575 10.249 3.269 . . . 1.0 . . . . . . . . . . . . A . 12 NLE O . . . . . . . . . c30244_5us3 1 . 5 . 2221 . 1 1 13 ARG C C 2.145 6.544 3.571 . . . 1.0 . . . . . . . . . . . . A . 13 ARG C . . . . . . . . . c30244_5us3 1 . 5 . 2222 . 1 1 13 ARG CA C 1.881 8.025 3.392 . . . 1.0 . . . . . . . . . . . . A . 13 ARG CA . . . . . . . . . c30244_5us3 1 . 5 . 2223 . 1 1 13 ARG CB C 0.376 8.293 3.279 . . . 1.0 . . . . . . . . . . . . A . 13 ARG CB . . . . . . . . . c30244_5us3 1 . 5 . 2224 . 1 1 13 ARG CD C -0.244 9.971 5.084 . . . 1.0 . . . . . . . . . . . . A . 13 ARG CD . . . . . . . . . c30244_5us3 1 . 5 . 2225 . 1 1 13 ARG CG C -0.028 9.735 3.590 . . . 1.0 . . . . . . . . . . . . A . 13 ARG CG . . . . . . . . . c30244_5us3 1 . 5 . 2226 . 1 1 13 ARG CZ C 1.101 9.970 7.180 . . . 1.0 . . . . . . . . . . . . A . 13 ARG CZ . . . . . . . . . c30244_5us3 1 . 5 . 2227 . 1 1 13 ARG H H 2.469 8.006 1.356 . . . 1.0 . . . . . . . . . . . . A . 13 ARG H . . . . . . . . . c30244_5us3 1 . 5 . 2228 . 1 1 13 ARG HA H 2.273 8.556 4.247 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HA . . . . . . . . . c30244_5us3 1 . 5 . 2229 . 1 1 13 ARG HB2 H 0.064 8.068 2.270 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HB2 . . . . . . . . . c30244_5us3 1 . 5 . 2230 . 1 1 13 ARG HB3 H -0.146 7.638 3.961 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HB3 . . . . . . . . . c30244_5us3 1 . 5 . 2231 . 1 1 13 ARG HD2 H -0.717 10.933 5.216 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HD2 . . . . . . . . . c30244_5us3 1 . 5 . 2232 . 1 1 13 ARG HD3 H -0.894 9.198 5.468 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HD3 . . . . . . . . . c30244_5us3 1 . 5 . 2233 . 1 1 13 ARG HE H 1.846 9.931 5.324 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HE . . . . . . . . . c30244_5us3 1 . 5 . 2234 . 1 1 13 ARG HG2 H 0.753 10.396 3.246 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HG2 . . . . . . . . . c30244_5us3 1 . 5 . 2235 . 1 1 13 ARG HG3 H -0.946 9.961 3.065 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HG3 . . . . . . . . . c30244_5us3 1 . 5 . 2236 . 1 1 13 ARG HH11 H -0.897 10.015 7.515 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HH11 . . . . . . . . . c30244_5us3 1 . 5 . 2237 . 1 1 13 ARG HH12 H 0.093 10.013 8.937 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HH12 . . . . . . . . . c30244_5us3 1 . 5 . 2238 . 1 1 13 ARG HH21 H 2.366 9.964 8.756 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HH21 . . . . . . . . . c30244_5us3 1 . 5 . 2239 . 1 1 13 ARG HH22 H 3.122 9.927 7.198 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HH22 . . . . . . . . . c30244_5us3 1 . 5 . 2240 . 1 1 13 ARG N N 2.575 8.509 2.206 . . . 1.0 . . . . . . . . . . . . A . 13 ARG N . . . . . . . . . c30244_5us3 1 . 5 . 2241 . 1 1 13 ARG NE N 1.015 9.955 5.841 . . . 1.0 . . . . . . . . . . . . A . 13 ARG NE . . . . . . . . . c30244_5us3 1 . 5 . 2242 . 1 1 13 ARG NH1 N 0.008 10.003 7.941 . . . 1.0 . . . . . . . . . . . . A . 13 ARG NH1 . . . . . . . . . c30244_5us3 1 . 5 . 2243 . 1 1 13 ARG NH2 N 2.294 9.952 7.759 . . . 1.0 . . . . . . . . . . . . A . 13 ARG NH2 . . . . . . . . . c30244_5us3 1 . 5 . 2244 . 1 1 13 ARG O O 1.981 5.764 2.629 . . . 1.0 . . . . . . . . . . . . A . 13 ARG O . . . . . . . . . c30244_5us3 1 . 5 . 2245 . 1 1 14 SER C C 1.623 4.001 5.537 . . . 1.0 . . . . . . . . . . . . A . 14 SER C . . . . . . . . . c30244_5us3 1 . 5 . 2246 . 1 1 14 SER CA C 2.867 4.766 5.081 . . . 1.0 . . . . . . . . . . . . A . 14 SER CA . . . . . . . . . c30244_5us3 1 . 5 . 2247 . 1 1 14 SER CB C 3.971 4.676 6.141 . . . 1.0 . . . . . . . . . . . . A . 14 SER CB . . . . . . . . . c30244_5us3 1 . 5 . 2248 . 1 1 14 SER H H 2.662 6.834 5.486 . . . 1.0 . . . . . . . . . . . . A . 14 SER H . . . . . . . . . c30244_5us3 1 . 5 . 2249 . 1 1 14 SER HA H 3.225 4.319 4.162 . . . 1.0 . . . . . . . . . . . . A . 14 SER HA . . . . . . . . . c30244_5us3 1 . 5 . 2250 . 1 1 14 SER HB2 H 4.816 5.269 5.828 . . . 1.0 . . . . . . . . . . . . A . 14 SER HB2 . . . . . . . . . c30244_5us3 1 . 5 . 2251 . 1 1 14 SER HB3 H 3.594 5.054 7.081 . . . 1.0 . . . . . . . . . . . . A . 14 SER HB3 . . . . . . . . . c30244_5us3 1 . 5 . 2252 . 1 1 14 SER HG H 3.752 2.862 6.854 . . . 1.0 . . . . . . . . . . . . A . 14 SER HG . . . . . . . . . c30244_5us3 1 . 5 . 2253 . 1 1 14 SER N N 2.561 6.161 4.781 . . . 1.0 . . . . . . . . . . . . A . 14 SER N . . . . . . . . . c30244_5us3 1 . 5 . 2254 . 1 1 14 SER O O 1.395 2.876 5.088 . . . 1.0 . . . . . . . . . . . . A . 14 SER O . . . . . . . . . c30244_5us3 1 . 5 . 2255 . 1 1 14 SER OG O 4.401 3.336 6.328 . . . 1.0 . . . . . . . . . . . . A . 14 SER OG . . . . . . . . . c30244_5us3 1 . 5 . 2256 . 1 1 15 B3D C C -2.285 4.398 5.317 . . . 1.0 . . . . . . . . . . . . A . 15 B3D C . . . . . . . . . c30244_5us3 1 . 5 . 2257 . 1 1 15 B3D CA C -1.615 4.821 6.593 . . . 1.0 . . . . . . . . . . . . A . 15 B3D CA . . . . . . . . . c30244_5us3 1 . 5 . 2258 . 1 1 15 B3D CB C -0.379 3.977 6.911 . . . 1.0 . . . . . . . . . . . . A . 15 B3D CB . . . . . . . . . c30244_5us3 1 . 5 . 2259 . 1 1 15 B3D CD C 0.788 2.864 8.886 . . . 1.0 . . . . . . . . . . . . A . 15 B3D CD . . . . . . . . . c30244_5us3 1 . 5 . 2260 . 1 1 15 B3D CG C -0.311 3.814 8.442 . . . 1.0 . . . . . . . . . . . . A . 15 B3D CG . . . . . . . . . c30244_5us3 1 . 5 . 2261 . 1 1 15 B3D H H 1.073 5.496 6.765 . . . 1.0 . . . . . . . . . . . . A . 15 B3D H . . . . . . . . . c30244_5us3 1 . 5 . 2262 . 1 1 15 B3D HA1 H -1.319 5.855 6.496 . . . 1.0 . . . . . . . . . . . . A . 15 B3D HA1 . . . . . . . . . c30244_5us3 1 . 5 . 2263 . 1 1 15 B3D HA2 H -2.328 4.731 7.398 . . . 1.0 . . . . . . . . . . . . A . 15 B3D HA2 . . . . . . . . . c30244_5us3 1 . 5 . 2264 . 1 1 15 B3D HB H -0.442 3.009 6.379 . . . 1.0 . . . . . . . . . . . . A . 15 B3D HB . . . . . . . . . c30244_5us3 1 . 5 . 2265 . 1 1 15 B3D HG2 H -1.255 3.430 8.801 . . . 1.0 . . . . . . . . . . . . A . 15 B3D HG2 . . . . . . . . . c30244_5us3 1 . 5 . 2266 . 1 1 15 B3D HG3 H -0.128 4.778 8.893 . . . 1.0 . . . . . . . . . . . . A . 15 B3D HG3 . . . . . . . . . c30244_5us3 1 . 5 . 2267 . 1 1 15 B3D N N 0.829 4.607 6.431 . . . 1.0 . . . . . . . . . . . . A . 15 B3D N . . . . . . . . . c30244_5us3 1 . 5 . 2268 . 1 1 15 B3D O O -2.808 3.270 5.200 . . . 1.0 . . . . . . . . . . . . A . 15 B3D O . . . . . . . . . c30244_5us3 1 . 5 . 2269 . 1 1 15 B3D OE1 O 0.515 1.650 8.995 . . . 1.0 . . . . . . . . . . . . A . 15 B3D OE1 . . . . . . . . . c30244_5us3 1 . 5 . 2270 . 1 1 15 B3D OE2 O 1.921 3.335 9.122 . . . 1.0 . . . . . . . . . . . . A . 15 B3D OE2 . . . . . . . . . c30244_5us3 1 . 5 . 2271 . 1 1 16 HIS C C -2.151 3.893 2.308 . . . 1.0 . . . . . . . . . . . . A . 16 HIS C . . . . . . . . . c30244_5us3 1 . 5 . 2272 . 1 1 16 HIS CA C -2.813 5.083 3.000 . . . 1.0 . . . . . . . . . . . . A . 16 HIS CA . . . . . . . . . c30244_5us3 1 . 5 . 2273 . 1 1 16 HIS CB C -2.676 6.334 2.128 . . . 1.0 . . . . . . . . . . . . A . 16 HIS CB . . . . . . . . . c30244_5us3 1 . 5 . 2274 . 1 1 16 HIS CD2 C -4.821 7.767 2.419 . . . 1.0 . . . . . . . . . . . . A . 16 HIS CD2 . . . . . . . . . c30244_5us3 1 . 5 . 2275 . 1 1 16 HIS CE1 C -3.955 9.404 3.594 . . . 1.0 . . . . . . . . . . . . A . 16 HIS CE1 . . . . . . . . . c30244_5us3 1 . 5 . 2276 . 1 1 16 HIS CG C -3.506 7.492 2.593 . . . 1.0 . . . . . . . . . . . . A . 16 HIS CG . . . . . . . . . c30244_5us3 1 . 5 . 2277 . 1 1 16 HIS H H -1.785 6.163 4.504 . . . 1.0 . . . . . . . . . . . . A . 16 HIS H . . . . . . . . . c30244_5us3 1 . 5 . 2278 . 1 1 16 HIS HA H -3.862 4.864 3.133 . . . 1.0 . . . . . . . . . . . . A . 16 HIS HA . . . . . . . . . c30244_5us3 1 . 5 . 2279 . 1 1 16 HIS HB2 H -1.646 6.646 2.122 . . . 1.0 . . . . . . . . . . . . A . 16 HIS HB2 . . . . . . . . . c30244_5us3 1 . 5 . 2280 . 1 1 16 HIS HB3 H -2.979 6.093 1.119 . . . 1.0 . . . . . . . . . . . . A . 16 HIS HB3 . . . . . . . . . c30244_5us3 1 . 5 . 2281 . 1 1 16 HIS HD1 H -2.062 8.629 3.623 . . . 1.0 . . . . . . . . . . . . A . 16 HIS HD1 . . . . . . . . . c30244_5us3 1 . 5 . 2282 . 1 1 16 HIS HD2 H -5.537 7.160 1.883 . . . 1.0 . . . . . . . . . . . . A . 16 HIS HD2 . . . . . . . . . c30244_5us3 1 . 5 . 2283 . 1 1 16 HIS HE1 H -3.845 10.319 4.154 . . . 1.0 . . . . . . . . . . . . A . 16 HIS HE1 . . . . . . . . . c30244_5us3 1 . 5 . 2284 . 1 1 16 HIS HE2 H -5.919 9.455 3.013 . . . 1.0 . . . . . . . . . . . . A . 16 HIS HE2 . . . . . . . . . c30244_5us3 1 . 5 . 2285 . 1 1 16 HIS N N -2.232 5.308 4.329 . . . 1.0 . . . . . . . . . . . . A . 16 HIS N . . . . . . . . . c30244_5us3 1 . 5 . 2286 . 1 1 16 HIS ND1 N -2.993 8.537 3.333 . . . 1.0 . . . . . . . . . . . . A . 16 HIS ND1 . . . . . . . . . c30244_5us3 1 . 5 . 2287 . 1 1 16 HIS NE2 N -5.073 8.960 3.049 . . . 1.0 . . . . . . . . . . . . A . 16 HIS NE2 . . . . . . . . . c30244_5us3 1 . 5 . 2288 . 1 1 16 HIS O O -2.811 3.172 1.564 . . . 1.0 . . . . . . . . . . . . A . 16 HIS O . . . . . . . . . c30244_5us3 1 . 5 . 2289 . 1 1 17 LEU C C -0.378 1.291 2.725 . . . 1.0 . . . . . . . . . . . . A . 17 LEU C . . . . . . . . . c30244_5us3 1 . 5 . 2290 . 1 1 17 LEU CA C -0.089 2.595 1.980 . . . 1.0 . . . . . . . . . . . . A . 17 LEU CA . . . . . . . . . c30244_5us3 1 . 5 . 2291 . 1 1 17 LEU CB C 1.426 2.849 1.995 . . . 1.0 . . . . . . . . . . . . A . 17 LEU CB . . . . . . . . . c30244_5us3 1 . 5 . 2292 . 1 1 17 LEU CD1 C 2.187 1.288 0.134 . . . 1.0 . . . . . . . . . . . . A . 17 LEU CD1 . . . . . . . . . c30244_5us3 1 . 5 . 2293 . 1 1 17 LEU CD2 C 3.741 1.895 1.997 . . . 1.0 . . . . . . . . . . . . A . 17 LEU CD2 . . . . . . . . . c30244_5us3 1 . 5 . 2294 . 1 1 17 LEU CG C 2.305 1.636 1.616 . . . 1.0 . . . . . . . . . . . . A . 17 LEU CG . . . . . . . . . c30244_5us3 1 . 5 . 2295 . 1 1 17 LEU H H -0.348 4.387 3.042 . . . 1.0 . . . . . . . . . . . . A . 17 LEU H . . . . . . . . . c30244_5us3 1 . 5 . 2296 . 1 1 17 LEU HA H -0.416 2.483 0.957 . . . 1.0 . . . . . . . . . . . . A . 17 LEU HA . . . . . . . . . c30244_5us3 1 . 5 . 2297 . 1 1 17 LEU HB2 H 1.647 3.660 1.321 . . . 1.0 . . . . . . . . . . . . A . 17 LEU HB2 . . . . . . . . . c30244_5us3 1 . 5 . 2298 . 1 1 17 LEU HB3 H 1.699 3.156 2.992 . . . 1.0 . . . . . . . . . . . . A . 17 LEU HB3 . . . . . . . . . c30244_5us3 1 . 5 . 2299 . 1 1 17 LEU HD11 H 1.147 1.338 -0.155 . . . 1.0 . . . . . . . . . . . . A . 17 LEU HD11 . . . . . . . . . c30244_5us3 1 . 5 . 2300 . 1 1 17 LEU HD12 H 2.548 0.271 -0.039 . . . 1.0 . . . . . . . . . . . . A . 17 LEU HD12 . . . . . . . . . c30244_5us3 1 . 5 . 2301 . 1 1 17 LEU HD13 H 2.763 1.987 -0.460 . . . 1.0 . . . . . . . . . . . . A . 17 LEU HD13 . . . . . . . . . c30244_5us3 1 . 5 . 2302 . 1 1 17 LEU HD21 H 3.795 2.119 3.052 . . . 1.0 . . . . . . . . . . . . A . 17 LEU HD21 . . . . . . . . . c30244_5us3 1 . 5 . 2303 . 1 1 17 LEU HD22 H 4.118 2.733 1.426 . . . 1.0 . . . . . . . . . . . . A . 17 LEU HD22 . . . . . . . . . c30244_5us3 1 . 5 . 2304 . 1 1 17 LEU HD23 H 4.330 1.016 1.783 . . . 1.0 . . . . . . . . . . . . A . 17 LEU HD23 . . . . . . . . . c30244_5us3 1 . 5 . 2305 . 1 1 17 LEU HG H 1.966 0.777 2.177 . . . 1.0 . . . . . . . . . . . . A . 17 LEU HG . . . . . . . . . c30244_5us3 1 . 5 . 2306 . 1 1 17 LEU N N -0.833 3.718 2.536 . . . 1.0 . . . . . . . . . . . . A . 17 LEU N . . . . . . . . . c30244_5us3 1 . 5 . 2307 . 1 1 17 LEU O O -0.383 0.237 2.110 . . . 1.0 . . . . . . . . . . . . A . 17 LEU O . . . . . . . . . c30244_5us3 1 . 5 . 2308 . 1 1 18 SER C C -2.140 -0.491 4.352 . . . 1.0 . . . . . . . . . . . . A . 18 SER C . . . . . . . . . c30244_5us3 1 . 5 . 2309 . 1 1 18 SER CA C -0.848 0.161 4.851 . . . 1.0 . . . . . . . . . . . . A . 18 SER CA . . . . . . . . . c30244_5us3 1 . 5 . 2310 . 1 1 18 SER CB C -0.944 0.498 6.348 . . . 1.0 . . . . . . . . . . . . A . 18 SER CB . . . . . . . . . c30244_5us3 1 . 5 . 2311 . 1 1 18 SER H H -0.433 2.220 4.503 . . . 1.0 . . . . . . . . . . . . A . 18 SER H . . . . . . . . . c30244_5us3 1 . 5 . 2312 . 1 1 18 SER HA H -0.036 -0.537 4.704 . . . 1.0 . . . . . . . . . . . . A . 18 SER HA . . . . . . . . . c30244_5us3 1 . 5 . 2313 . 1 1 18 SER HB2 H -0.017 0.941 6.674 . . . 1.0 . . . . . . . . . . . . A . 18 SER HB2 . . . . . . . . . c30244_5us3 1 . 5 . 2314 . 1 1 18 SER HB3 H -1.755 1.193 6.508 . . . 1.0 . . . . . . . . . . . . A . 18 SER HB3 . . . . . . . . . c30244_5us3 1 . 5 . 2315 . 1 1 18 SER HG H -1.213 -1.435 6.552 . . . 1.0 . . . . . . . . . . . . A . 18 SER HG . . . . . . . . . c30244_5us3 1 . 5 . 2316 . 1 1 18 SER N N -0.547 1.359 4.053 . . . 1.0 . . . . . . . . . . . . A . 18 SER N . . . . . . . . . c30244_5us3 1 . 5 . 2317 . 1 1 18 SER O O -2.128 -1.650 3.927 . . . 1.0 . . . . . . . . . . . . A . 18 SER O . . . . . . . . . c30244_5us3 1 . 5 . 2318 . 1 1 18 SER OG O -1.182 -0.665 7.126 . . . 1.0 . . . . . . . . . . . . A . 18 SER OG . . . . . . . . . c30244_5us3 1 . 5 . 2319 . 1 1 19 B3K C C -4.342 -0.042 1.337 . . . 1.0 . . . . . . . . . . . . A . 19 B3K C . . . . . . . . . c30244_5us3 1 . 5 . 2320 . 1 1 19 B3K CA C -4.946 0.494 2.613 . . . 1.0 . . . . . . . . . . . . A . 19 B3K CA . . . . . . . . . c30244_5us3 1 . 5 . 2321 . 1 1 19 B3K CB C -4.496 -0.234 3.883 . . . 1.0 . . . . . . . . . . . . A . 19 B3K CB . . . . . . . . . c30244_5us3 1 . 5 . 2322 . 1 1 19 B3K CD C -5.403 -0.824 6.218 . . . 1.0 . . . . . . . . . . . . A . 19 B3K CD . . . . . . . . . c30244_5us3 1 . 5 . 2323 . 1 1 19 B3K CE C -6.495 -0.535 7.236 . . . 1.0 . . . . . . . . . . . . A . 19 B3K CE . . . . . . . . . c30244_5us3 1 . 5 . 2324 . 1 1 19 B3K CF C -6.317 -1.366 8.495 . . . 1.0 . . . . . . . . . . . . A . 19 B3K CF . . . . . . . . . c30244_5us3 1 . 5 . 2325 . 1 1 19 B3K CG C -5.578 0.014 4.957 . . . 1.0 . . . . . . . . . . . . A . 19 B3K CG . . . . . . . . . c30244_5us3 1 . 5 . 2326 . 1 1 19 B3K H H -3.174 1.215 4.672 . . . 1.0 . . . . . . . . . . . . A . 19 B3K H . . . . . . . . . c30244_5us3 1 . 5 . 2327 . 1 1 19 B3K HA1 H -6.019 0.419 2.528 . . . 1.0 . . . . . . . . . . . . A . 19 B3K HA1 . . . . . . . . . c30244_5us3 1 . 5 . 2328 . 1 1 19 B3K HA2 H -4.675 1.536 2.698 . . . 1.0 . . . . . . . . . . . . A . 19 B3K HA2 . . . . . . . . . c30244_5us3 1 . 5 . 2329 . 1 1 19 B3K HB H -4.329 -1.313 3.672 . . . 1.0 . . . . . . . . . . . . A . 19 B3K HB . . . . . . . . . c30244_5us3 1 . 5 . 2330 . 1 1 19 B3K HD2 H -4.442 -0.597 6.659 . . . 1.0 . . . . . . . . . . . . A . 19 B3K HD2 . . . . . . . . . c30244_5us3 1 . 5 . 2331 . 1 1 19 B3K HD3 H -5.441 -1.870 5.953 . . . 1.0 . . . . . . . . . . . . A . 19 B3K HD3 . . . . . . . . . c30244_5us3 1 . 5 . 2332 . 1 1 19 B3K HE2 H -7.454 -0.765 6.795 . . . 1.0 . . . . . . . . . . . . A . 19 B3K HE2 . . . . . . . . . c30244_5us3 1 . 5 . 2333 . 1 1 19 B3K HE3 H -6.460 0.512 7.500 . . . 1.0 . . . . . . . . . . . . A . 19 B3K HE3 . . . . . . . . . c30244_5us3 1 . 5 . 2334 . 1 1 19 B3K HF1 H -5.355 -1.138 8.929 . . . 1.0 . . . . . . . . . . . . A . 19 B3K HF1 . . . . . . . . . c30244_5us3 1 . 5 . 2335 . 1 1 19 B3K HF2 H -6.351 -2.412 8.229 . . . 1.0 . . . . . . . . . . . . A . 19 B3K HF2 . . . . . . . . . c30244_5us3 1 . 5 . 2336 . 1 1 19 B3K HG2 H -6.547 -0.214 4.538 . . . 1.0 . . . . . . . . . . . . A . 19 B3K HG2 . . . . . . . . . c30244_5us3 1 . 5 . 2337 . 1 1 19 B3K HG3 H -5.555 1.055 5.239 . . . 1.0 . . . . . . . . . . . . A . 19 B3K HG3 . . . . . . . . . c30244_5us3 1 . 5 . 2338 . 1 1 19 B3K HNZ1 H -7.232 -1.671 10.349 . . . 1.0 . . . . . . . . . . . . A . 19 B3K HNZ1 . . . . . . . . . c30244_5us3 1 . 5 . 2339 . 1 1 19 B3K HNZ2 H -8.315 -1.309 9.102 . . . 1.0 . . . . . . . . . . . . A . 19 B3K HNZ2 . . . . . . . . . c30244_5us3 1 . 5 . 2340 . 1 1 19 B3K N N -3.235 0.278 4.351 . . . 1.0 . . . . . . . . . . . . A . 19 B3K N . . . . . . . . . c30244_5us3 1 . 5 . 2341 . 1 1 19 B3K NZ N -7.381 -1.088 9.500 . . . 1.0 . . . . . . . . . . . . A . 19 B3K NZ . . . . . . . . . c30244_5us3 1 . 5 . 2342 . 1 1 19 B3K O O -4.753 -1.093 0.821 . . . 1.0 . . . . . . . . . . . . A . 19 B3K O . . . . . . . . . c30244_5us3 1 . 5 . 2343 . 1 1 20 HIS C C -2.093 -1.097 -0.471 . . . 1.0 . . . . . . . . . . . . A . 20 HIS C . . . . . . . . . c30244_5us3 1 . 5 . 2344 . 1 1 20 HIS CA C -2.611 0.349 -0.382 . . . 1.0 . . . . . . . . . . . . A . 20 HIS CA . . . . . . . . . c30244_5us3 1 . 5 . 2345 . 1 1 20 HIS CB C -1.457 1.291 -0.550 . . . 1.0 . . . . . . . . . . . . A . 20 HIS CB . . . . . . . . . c30244_5us3 1 . 5 . 2346 . 1 1 20 HIS CD2 C 0.251 0.262 -2.115 . . . 1.0 . . . . . . . . . . . . A . 20 HIS CD2 . . . . . . . . . c30244_5us3 1 . 5 . 2347 . 1 1 20 HIS CE1 C -0.448 1.076 -3.979 . . . 1.0 . . . . . . . . . . . . A . 20 HIS CE1 . . . . . . . . . c30244_5us3 1 . 5 . 2348 . 1 1 20 HIS CG C -0.780 1.070 -1.833 . . . 1.0 . . . . . . . . . . . . A . 20 HIS CG . . . . . . . . . c30244_5us3 1 . 5 . 2349 . 1 1 20 HIS H H -2.938 1.398 1.400 . . . 1.0 . . . . . . . . . . . . A . 20 HIS H . . . . . . . . . c30244_5us3 1 . 5 . 2350 . 1 1 20 HIS HA H -3.270 0.545 -1.192 . . . 1.0 . . . . . . . . . . . . A . 20 HIS HA . . . . . . . . . c30244_5us3 1 . 5 . 2351 . 1 1 20 HIS HB2 H -1.811 2.313 -0.516 . . . 1.0 . . . . . . . . . . . . A . 20 HIS HB2 . . . . . . . . . c30244_5us3 1 . 5 . 2352 . 1 1 20 HIS HB3 H -0.753 1.112 0.240 . . . 1.0 . . . . . . . . . . . . A . 20 HIS HB3 . . . . . . . . . c30244_5us3 1 . 5 . 2353 . 1 1 20 HIS HD1 H -1.952 2.224 -3.147 . . . 1.0 . . . . . . . . . . . . A . 20 HIS HD1 . . . . . . . . . c30244_5us3 1 . 5 . 2354 . 1 1 20 HIS HD2 H 0.783 -0.380 -1.403 . . . 1.0 . . . . . . . . . . . . A . 20 HIS HD2 . . . . . . . . . c30244_5us3 1 . 5 . 2355 . 1 1 20 HIS HE1 H -0.600 1.234 -5.028 . . . 1.0 . . . . . . . . . . . . A . 20 HIS HE1 . . . . . . . . . c30244_5us3 1 . 5 . 2356 . 1 1 20 HIS N N -3.296 0.658 0.864 . . . 1.0 . . . . . . . . . . . . A . 20 HIS N . . . . . . . . . c30244_5us3 1 . 5 . 2357 . 1 1 20 HIS ND1 N -1.214 1.592 -3.023 . . . 1.0 . . . . . . . . . . . . A . 20 HIS ND1 . . . . . . . . . c30244_5us3 1 . 5 . 2358 . 1 1 20 HIS NE2 N 0.459 0.276 -3.465 . . . 1.0 . . . . . . . . . . . . A . 20 HIS NE2 . . . . . . . . . c30244_5us3 1 . 5 . 2359 . 1 1 20 HIS O O -2.183 -1.742 -1.515 . . . 1.0 . . . . . . . . . . . . A . 20 HIS O . . . . . . . . . c30244_5us3 1 . 5 . 2360 . 1 1 21 ILE C C -1.858 -3.905 1.305 . . . 1.0 . . . . . . . . . . . . A . 21 ILE C . . . . . . . . . c30244_5us3 1 . 5 . 2361 . 1 1 21 ILE CA C -0.929 -2.892 0.637 . . . 1.0 . . . . . . . . . . . . A . 21 ILE CA . . . . . . . . . c30244_5us3 1 . 5 . 2362 . 1 1 21 ILE CB C 0.500 -2.887 1.243 . . . 1.0 . . . . . . . . . . . . A . 21 ILE CB . . . . . . . . . c30244_5us3 1 . 5 . 2363 . 1 1 21 ILE CD1 C 0.642 -3.890 3.592 . . . 1.0 . . . . . . . . . . . . A . 21 ILE CD1 . . . . . . . . . c30244_5us3 1 . 5 . 2364 . 1 1 21 ILE CG1 C 0.522 -2.629 2.762 . . . 1.0 . . . . . . . . . . . . A . 21 ILE CG1 . . . . . . . . . c30244_5us3 1 . 5 . 2365 . 1 1 21 ILE CG2 C 1.357 -1.885 0.532 . . . 1.0 . . . . . . . . . . . . A . 21 ILE CG2 . . . . . . . . . c30244_5us3 1 . 5 . 2366 . 1 1 21 ILE H H -1.421 -1.000 1.389 . . . 1.0 . . . . . . . . . . . . A . 21 ILE H . . . . . . . . . c30244_5us3 1 . 5 . 2367 . 1 1 21 ILE HA H -0.833 -3.185 -0.393 . . . 1.0 . . . . . . . . . . . . A . 21 ILE HA . . . . . . . . . c30244_5us3 1 . 5 . 2368 . 1 1 21 ILE HB H 0.935 -3.814 1.030 . . . 1.0 . . . . . . . . . . . . A . 21 ILE HB . . . . . . . . . c30244_5us3 1 . 5 . 2369 . 1 1 21 ILE HD11 H 1.558 -4.402 3.339 . . . 1.0 . . . . . . . . . . . . A . 21 ILE HD11 . . . . . . . . . c30244_5us3 1 . 5 . 2370 . 1 1 21 ILE HD12 H -0.199 -4.536 3.388 . . . 1.0 . . . . . . . . . . . . A . 21 ILE HD12 . . . . . . . . . c30244_5us3 1 . 5 . 2371 . 1 1 21 ILE HD13 H 0.651 -3.632 4.640 . . . 1.0 . . . . . . . . . . . . A . 21 ILE HD13 . . . . . . . . . c30244_5us3 1 . 5 . 2372 . 1 1 21 ILE HG12 H 1.363 -1.995 3.001 . . . 1.0 . . . . . . . . . . . . A . 21 ILE HG12 . . . . . . . . . c30244_5us3 1 . 5 . 2373 . 1 1 21 ILE HG13 H -0.392 -2.129 3.047 . . . 1.0 . . . . . . . . . . . . A . 21 ILE HG13 . . . . . . . . . c30244_5us3 1 . 5 . 2374 . 1 1 21 ILE HG21 H 1.482 -2.201 -0.493 . . . 1.0 . . . . . . . . . . . . A . 21 ILE HG21 . . . . . . . . . c30244_5us3 1 . 5 . 2375 . 1 1 21 ILE HG22 H 2.318 -1.824 1.015 . . . 1.0 . . . . . . . . . . . . A . 21 ILE HG22 . . . . . . . . . c30244_5us3 1 . 5 . 2376 . 1 1 21 ILE HG23 H 0.869 -0.926 0.561 . . . 1.0 . . . . . . . . . . . . A . 21 ILE HG23 . . . . . . . . . c30244_5us3 1 . 5 . 2377 . 1 1 21 ILE N N -1.500 -1.566 0.607 . . . 1.0 . . . . . . . . . . . . A . 21 ILE N . . . . . . . . . c30244_5us3 1 . 5 . 2378 . 1 1 21 ILE O O -1.615 -5.109 1.237 . . . 1.0 . . . . . . . . . . . . A . 21 ILE O . . . . . . . . . c30244_5us3 1 . 5 . 2379 . 1 1 22 B3K C C -5.401 -4.139 0.485 . . . 1.0 . . . . . . . . . . . . A . 22 B3K C . . . . . . . . . c30244_5us3 1 . 5 . 2380 . 1 1 22 B3K CA C -5.262 -3.904 1.984 . . . 1.0 . . . . . . . . . . . . A . 22 B3K CA . . . . . . . . . c30244_5us3 1 . 5 . 2381 . 1 1 22 B3K CB C -3.880 -4.228 2.581 . . . 1.0 . . . . . . . . . . . . A . 22 B3K CB . . . . . . . . . c30244_5us3 1 . 5 . 2382 . 1 1 22 B3K CD C -3.813 -5.166 4.962 . . . 1.0 . . . . . . . . . . . . A . 22 B3K CD . . . . . . . . . c30244_5us3 1 . 5 . 2383 . 1 1 22 B3K CE C -3.855 -4.813 6.441 . . . 1.0 . . . . . . . . . . . . A . 22 B3K CE . . . . . . . . . c30244_5us3 1 . 5 . 2384 . 1 1 22 B3K CF C -3.697 -6.048 7.313 . . . 1.0 . . . . . . . . . . . . A . 22 B3K CF . . . . . . . . . c30244_5us3 1 . 5 . 2385 . 1 1 22 B3K CG C -3.958 -3.929 4.091 . . . 1.0 . . . . . . . . . . . . A . 22 B3K CG . . . . . . . . . c30244_5us3 1 . 5 . 2386 . 1 1 22 B3K H H -2.935 -2.424 2.121 . . . 1.0 . . . . . . . . . . . . A . 22 B3K H . . . . . . . . . c30244_5us3 1 . 5 . 2387 . 1 1 22 B3K HA1 H -5.483 -2.865 2.174 . . . 1.0 . . . . . . . . . . . . A . 22 B3K HA1 . . . . . . . . . c30244_5us3 1 . 5 . 2388 . 1 1 22 B3K HA2 H -6.001 -4.513 2.483 . . . 1.0 . . . . . . . . . . . . A . 22 B3K HA2 . . . . . . . . . c30244_5us3 1 . 5 . 2389 . 1 1 22 B3K HB H -3.587 -5.275 2.354 . . . 1.0 . . . . . . . . . . . . A . 22 B3K HB . . . . . . . . . c30244_5us3 1 . 5 . 2390 . 1 1 22 B3K HD2 H -2.870 -5.643 4.741 . . . 1.0 . . . . . . . . . . . . A . 22 B3K HD2 . . . . . . . . . c30244_5us3 1 . 5 . 2391 . 1 1 22 B3K HD3 H -4.622 -5.847 4.743 . . . 1.0 . . . . . . . . . . . . A . 22 B3K HD3 . . . . . . . . . c30244_5us3 1 . 5 . 2392 . 1 1 22 B3K HE2 H -4.803 -4.345 6.663 . . . 1.0 . . . . . . . . . . . . A . 22 B3K HE2 . . . . . . . . . c30244_5us3 1 . 5 . 2393 . 1 1 22 B3K HE3 H -3.051 -4.125 6.660 . . . 1.0 . . . . . . . . . . . . A . 22 B3K HE3 . . . . . . . . . c30244_5us3 1 . 5 . 2394 . 1 1 22 B3K HF1 H -2.757 -6.524 7.075 . . . 1.0 . . . . . . . . . . . . A . 22 B3K HF1 . . . . . . . . . c30244_5us3 1 . 5 . 2395 . 1 1 22 B3K HF2 H -4.507 -6.729 7.102 . . . 1.0 . . . . . . . . . . . . A . 22 B3K HF2 . . . . . . . . . c30244_5us3 1 . 5 . 2396 . 1 1 22 B3K HG2 H -4.913 -3.474 4.309 . . . 1.0 . . . . . . . . . . . . A . 22 B3K HG2 . . . . . . . . . c30244_5us3 1 . 5 . 2397 . 1 1 22 B3K HG3 H -3.171 -3.238 4.351 . . . 1.0 . . . . . . . . . . . . A . 22 B3K HG3 . . . . . . . . . c30244_5us3 1 . 5 . 2398 . 1 1 22 B3K HNZ1 H -2.938 -5.058 8.989 . . . 1.0 . . . . . . . . . . . . A . 22 B3K HNZ1 . . . . . . . . . c30244_5us3 1 . 5 . 2399 . 1 1 22 B3K HNZ2 H -3.606 -6.573 9.334 . . . 1.0 . . . . . . . . . . . . A . 22 B3K HNZ2 . . . . . . . . . c30244_5us3 1 . 5 . 2400 . 1 1 22 B3K N N -2.885 -3.397 1.986 . . . 1.0 . . . . . . . . . . . . A . 22 B3K N . . . . . . . . . c30244_5us3 1 . 5 . 2401 . 1 1 22 B3K NZ N -3.717 -5.710 8.763 . . . 1.0 . . . . . . . . . . . . A . 22 B3K NZ . . . . . . . . . c30244_5us3 1 . 5 . 2402 . 1 1 22 B3K O O -6.272 -4.920 0.065 . . . 1.0 . . . . . . . . . . . . A . 22 B3K O . . . . . . . . . c30244_5us3 1 . 5 . 2403 . 1 1 23 THR C C -3.619 -4.669 -2.295 . . . 1.0 . . . . . . . . . . . . A . 23 THR C . . . . . . . . . c30244_5us3 1 . 5 . 2404 . 1 1 23 THR CA C -4.620 -3.638 -1.798 . . . 1.0 . . . . . . . . . . . . A . 23 THR CA . . . . . . . . . c30244_5us3 1 . 5 . 2405 . 1 1 23 THR CB C -4.449 -2.290 -2.556 . . . 1.0 . . . . . . . . . . . . A . 23 THR CB . . . . . . . . . c30244_5us3 1 . 5 . 2406 . 1 1 23 THR CG2 C -5.067 -2.358 -3.946 . . . 1.0 . . . . . . . . . . . . A . 23 THR CG2 . . . . . . . . . c30244_5us3 1 . 5 . 2407 . 1 1 23 THR H H -3.788 -2.958 0.050 . . . 1.0 . . . . . . . . . . . . A . 23 THR H . . . . . . . . . c30244_5us3 1 . 5 . 2408 . 1 1 23 THR HA H -5.606 -4.018 -2.010 . . . 1.0 . . . . . . . . . . . . A . 23 THR HA . . . . . . . . . c30244_5us3 1 . 5 . 2409 . 1 1 23 THR HB H -3.390 -2.069 -2.662 . . . 1.0 . . . . . . . . . . . . A . 23 THR HB . . . . . . . . . c30244_5us3 1 . 5 . 2410 . 1 1 23 THR HG1 H -5.297 -1.539 -0.941 . . . 1.0 . . . . . . . . . . . . A . 23 THR HG1 . . . . . . . . . c30244_5us3 1 . 5 . 2411 . 1 1 23 THR HG21 H -6.130 -2.522 -3.859 . . . 1.0 . . . . . . . . . . . . A . 23 THR HG21 . . . . . . . . . c30244_5us3 1 . 5 . 2412 . 1 1 23 THR HG22 H -4.620 -3.174 -4.495 . . . 1.0 . . . . . . . . . . . . A . 23 THR HG22 . . . . . . . . . c30244_5us3 1 . 5 . 2413 . 1 1 23 THR HG23 H -4.886 -1.429 -4.466 . . . 1.0 . . . . . . . . . . . . A . 23 THR HG23 . . . . . . . . . c30244_5us3 1 . 5 . 2414 . 1 1 23 THR N N -4.530 -3.495 -0.337 . . . 1.0 . . . . . . . . . . . . A . 23 THR N . . . . . . . . . c30244_5us3 1 . 5 . 2415 . 1 1 23 THR O O -3.977 -5.536 -3.097 . . . 1.0 . . . . . . . . . . . . A . 23 THR O . . . . . . . . . c30244_5us3 1 . 5 . 2416 . 1 1 23 THR OG1 O -5.075 -1.230 -1.822 . . . 1.0 . . . . . . . . . . . . A . 23 THR OG1 . . . . . . . . . c30244_5us3 1 . 5 . 2417 . 1 1 24 HIS C C -1.747 -6.927 -1.661 . . . 1.0 . . . . . . . . . . . . A . 24 HIS C . . . . . . . . . c30244_5us3 1 . 5 . 2418 . 1 1 24 HIS CA C -1.338 -5.575 -2.192 . . . 1.0 . . . . . . . . . . . . A . 24 HIS CA . . . . . . . . . c30244_5us3 1 . 5 . 2419 . 1 1 24 HIS CB C 0.034 -5.199 -1.646 . . . 1.0 . . . . . . . . . . . . A . 24 HIS CB . . . . . . . . . c30244_5us3 1 . 5 . 2420 . 1 1 24 HIS CD2 C 0.626 -2.925 -2.701 . . . 1.0 . . . . . . . . . . . . A . 24 HIS CD2 . . . . . . . . . c30244_5us3 1 . 5 . 2421 . 1 1 24 HIS CE1 C 2.209 -3.515 -4.023 . . . 1.0 . . . . . . . . . . . . A . 24 HIS CE1 . . . . . . . . . c30244_5us3 1 . 5 . 2422 . 1 1 24 HIS CG C 0.793 -4.252 -2.517 . . . 1.0 . . . . . . . . . . . . A . 24 HIS CG . . . . . . . . . c30244_5us3 1 . 5 . 2423 . 1 1 24 HIS H H -2.117 -3.818 -1.250 . . . 1.0 . . . . . . . . . . . . A . 24 HIS H . . . . . . . . . c30244_5us3 1 . 5 . 2424 . 1 1 24 HIS HA H -1.327 -5.623 -3.241 . . . 1.0 . . . . . . . . . . . . A . 24 HIS HA . . . . . . . . . c30244_5us3 1 . 5 . 2425 . 1 1 24 HIS HB2 H -0.110 -4.728 -0.685 . . . 1.0 . . . . . . . . . . . . A . 24 HIS HB2 . . . . . . . . . c30244_5us3 1 . 5 . 2426 . 1 1 24 HIS HB3 H 0.624 -6.093 -1.521 . . . 1.0 . . . . . . . . . . . . A . 24 HIS HB3 . . . . . . . . . c30244_5us3 1 . 5 . 2427 . 1 1 24 HIS HD1 H 2.233 -5.504 -3.450 . . . 1.0 . . . . . . . . . . . . A . 24 HIS HD1 . . . . . . . . . c30244_5us3 1 . 5 . 2428 . 1 1 24 HIS HD2 H 0.012 -2.257 -2.106 . . . 1.0 . . . . . . . . . . . . A . 24 HIS HD2 . . . . . . . . . c30244_5us3 1 . 5 . 2429 . 1 1 24 HIS HE1 H 3.047 -3.427 -4.702 . . . 1.0 . . . . . . . . . . . . A . 24 HIS HE1 . . . . . . . . . c30244_5us3 1 . 5 . 2430 . 1 1 24 HIS N N -2.361 -4.576 -1.826 . . . 1.0 . . . . . . . . . . . . A . 24 HIS N . . . . . . . . . c30244_5us3 1 . 5 . 2431 . 1 1 24 HIS ND1 N 1.827 -4.618 -3.370 . . . 1.0 . . . . . . . . . . . . A . 24 HIS ND1 . . . . . . . . . c30244_5us3 1 . 5 . 2432 . 1 1 24 HIS NE2 N 1.513 -2.509 -3.664 . . . 1.0 . . . . . . . . . . . . A . 24 HIS NE2 . . . . . . . . . c30244_5us3 1 . 5 . 2433 . 1 1 24 HIS O O -1.398 -7.988 -2.186 . . . 1.0 . . . . . . . . . . . . A . 24 HIS O . . . . . . . . . c30244_5us3 1 . 5 . 2434 . 1 1 25 . C C -5.615 -8.439 0.052 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q C . . . . . . . . . c30244_5us3 1 . 5 . 2435 . 1 1 25 . CA C -4.528 -7.408 0.256 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q CA . . . . . . . . . c30244_5us3 1 . 5 . 2436 . 1 1 25 . CB C -3.111 -7.899 0.093 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q CB . . . . . . . . . c30244_5us3 1 . 5 . 2437 . 1 1 25 . CD C -1.001 -8.609 1.372 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q CD . . . . . . . . . c30244_5us3 1 . 5 . 2438 . 1 1 25 . CE C -0.128 -7.968 2.434 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q CE . . . . . . . . . c30244_5us3 1 . 5 . 2439 . 1 1 25 . CG C -2.454 -8.153 1.458 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q CG . . . . . . . . . c30244_5us3 1 . 5 . 2440 . 1 1 25 . H11 H 0.257 -6.432 1.226 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q H11 . . . . . . . . . c30244_5us3 1 . 5 . 2441 . 1 1 25 . H12 H 1.004 -6.368 2.783 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q H12 . . . . . . . . . c30244_5us3 1 . 5 . 2442 . 1 1 25 . H8 H -0.612 -8.344 0.400 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q H8 . . . . . . . . . c30244_5us3 1 . 5 . 2443 . 1 1 25 . H9 H -0.961 -9.681 1.494 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q H9 . . . . . . . . . c30244_5us3 1 . 5 . 2444 . 1 1 25 . HA H -4.640 -6.978 1.235 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q HA . . . . . . . . . c30244_5us3 1 . 5 . 2445 . 1 1 25 . HAA H -4.657 -6.623 -0.496 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q HAA . . . . . . . . . c30244_5us3 1 . 5 . 2446 . 1 1 25 . HB H -3.081 -8.785 -0.531 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q HB . . . . . . . . . c30244_5us3 1 . 5 . 2447 . 1 1 25 . HG H -3.019 -8.913 1.979 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q HG . . . . . . . . . c30244_5us3 1 . 5 . 2448 . 1 1 25 . HGA H -2.484 -7.240 2.034 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q HGA . . . . . . . . . c30244_5us3 1 . 5 . 2449 . 1 1 25 . HN H -2.661 -5.892 -0.269 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q HN . . . . . . . . . c30244_5us3 1 . 5 . 2450 . 1 1 25 . N N -2.495 -6.812 -0.602 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q N . . . . . . . . . c30244_5us3 1 . 5 . 2451 . 1 1 25 . NF2 N 0.435 -6.806 2.116 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q NF2 . . . . . . . . . c30244_5us3 1 . 5 . 2452 . 1 1 25 . O O -5.390 -9.650 0.147 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q O . . . . . . . . . c30244_5us3 1 . 5 . 2453 . 1 1 25 . OF1 O 0.037 -8.508 3.528 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q OF1 . . . . . . . . . c30244_5us3 1 . 5 . 2454 . 1 1 26 ASN C C -8.462 -9.510 0.789 . . . 1.0 . . . . . . . . . . . . A . 26 ASN C . . . . . . . . . c30244_5us3 1 . 5 . 2455 . 1 1 26 ASN CA C -8.048 -8.728 -0.461 . . . 1.0 . . . . . . . . . . . . A . 26 ASN CA . . . . . . . . . c30244_5us3 1 . 5 . 2456 . 1 1 26 ASN CB C -7.877 -9.692 -1.652 . . . 1.0 . . . . . . . . . . . . A . 26 ASN CB . . . . . . . . . c30244_5us3 1 . 5 . 2457 . 1 1 26 ASN CG C -7.760 -8.964 -2.978 . . . 1.0 . . . . . . . . . . . . A . 26 ASN CG . . . . . . . . . c30244_5us3 1 . 5 . 2458 . 1 1 26 ASN H H -6.908 -6.931 -0.269 . . . 1.0 . . . . . . . . . . . . A . 26 ASN H . . . . . . . . . c30244_5us3 1 . 5 . 2459 . 1 1 26 ASN HA H -8.844 -8.036 -0.697 . . . 1.0 . . . . . . . . . . . . A . 26 ASN HA . . . . . . . . . c30244_5us3 1 . 5 . 2460 . 1 1 26 ASN HB2 H -6.983 -10.278 -1.506 . . . 1.0 . . . . . . . . . . . . A . 26 ASN HB2 . . . . . . . . . c30244_5us3 1 . 5 . 2461 . 1 1 26 ASN HB3 H -8.732 -10.351 -1.698 . . . 1.0 . . . . . . . . . . . . A . 26 ASN HB3 . . . . . . . . . c30244_5us3 1 . 5 . 2462 . 1 1 26 ASN HD21 H -9.733 -9.028 -3.217 . . . 1.0 . . . . . . . . . . . . A . 26 ASN HD21 . . . . . . . . . c30244_5us3 1 . 5 . 2463 . 1 1 26 ASN HD22 H -8.848 -8.257 -4.485 . . . 1.0 . . . . . . . . . . . . A . 26 ASN HD22 . . . . . . . . . c30244_5us3 1 . 5 . 2464 . 1 1 26 ASN N N -6.829 -7.916 -0.225 . . . 1.0 . . . . . . . . . . . . A . 26 ASN N . . . . . . . . . c30244_5us3 1 . 5 . 2465 . 1 1 26 ASN ND2 N -8.895 -8.725 -3.625 . . . 1.0 . . . . . . . . . . . . A . 26 ASN ND2 . . . . . . . . . c30244_5us3 1 . 5 . 2466 . 1 1 26 ASN O O -7.674 -10.291 1.333 . . . 1.0 . . . . . . . . . . . . A . 26 ASN O . . . . . . . . . c30244_5us3 1 . 5 . 2467 . 1 1 26 ASN OD1 O -6.662 -8.619 -3.416 . . . 1.0 . . . . . . . . . . . . A . 26 ASN OD1 . . . . . . . . . c30244_5us3 1 . 5 . 2468 . 1 1 27 LYS C C -11.609 -10.568 2.121 . . . 1.0 . . . . . . . . . . . . A . 27 LYS C . . . . . . . . . c30244_5us3 1 . 5 . 2469 . 1 1 27 LYS CA C -10.246 -9.948 2.419 . . . 1.0 . . . . . . . . . . . . A . 27 LYS CA . . . . . . . . . c30244_5us3 1 . 5 . 2470 . 1 1 27 LYS CB C -10.368 -8.958 3.585 . . . 1.0 . . . . . . . . . . . . A . 27 LYS CB . . . . . . . . . c30244_5us3 1 . 5 . 2471 . 1 1 27 LYS CD C -9.217 -7.570 5.340 . . . 1.0 . . . . . . . . . . . . A . 27 LYS CD . . . . . . . . . c30244_5us3 1 . 5 . 2472 . 1 1 27 LYS CE C -7.885 -7.164 5.957 . . . 1.0 . . . . . . . . . . . . A . 27 LYS CE . . . . . . . . . c30244_5us3 1 . 5 . 2473 . 1 1 27 LYS CG C -9.033 -8.564 4.202 . . . 1.0 . . . . . . . . . . . . A . 27 LYS CG . . . . . . . . . c30244_5us3 1 . 5 . 2474 . 1 1 27 LYS H H -10.267 -8.645 0.749 . . . 1.0 . . . . . . . . . . . . A . 27 LYS H . . . . . . . . . c30244_5us3 1 . 5 . 2475 . 1 1 27 LYS HA H -9.561 -10.735 2.699 . . . 1.0 . . . . . . . . . . . . A . 27 LYS HA . . . . . . . . . c30244_5us3 1 . 5 . 2476 . 1 1 27 LYS HB2 H -10.851 -8.060 3.228 . . . 1.0 . . . . . . . . . . . . A . 27 LYS HB2 . . . . . . . . . c30244_5us3 1 . 5 . 2477 . 1 1 27 LYS HB3 H -10.979 -9.401 4.356 . . . 1.0 . . . . . . . . . . . . A . 27 LYS HB3 . . . . . . . . . c30244_5us3 1 . 5 . 2478 . 1 1 27 LYS HD2 H -9.708 -6.687 4.958 . . . 1.0 . . . . . . . . . . . . A . 27 LYS HD2 . . . . . . . . . c30244_5us3 1 . 5 . 2479 . 1 1 27 LYS HD3 H -9.832 -8.022 6.104 . . . 1.0 . . . . . . . . . . . . A . 27 LYS HD3 . . . . . . . . . c30244_5us3 1 . 5 . 2480 . 1 1 27 LYS HE2 H -7.195 -6.921 5.161 . . . 1.0 . . . . . . . . . . . . A . 27 LYS HE2 . . . . . . . . . c30244_5us3 1 . 5 . 2481 . 1 1 27 LYS HE3 H -8.041 -6.291 6.573 . . . 1.0 . . . . . . . . . . . . A . 27 LYS HE3 . . . . . . . . . c30244_5us3 1 . 5 . 2482 . 1 1 27 LYS HG2 H -8.551 -9.450 4.587 . . . 1.0 . . . . . . . . . . . . A . 27 LYS HG2 . . . . . . . . . c30244_5us3 1 . 5 . 2483 . 1 1 27 LYS HG3 H -8.413 -8.115 3.440 . . . 1.0 . . . . . . . . . . . . A . 27 LYS HG3 . . . . . . . . . c30244_5us3 1 . 5 . 2484 . 1 1 27 LYS HZ1 H -7.943 -8.493 7.568 . . . 1.0 . . . . . . . . . . . . A . 27 LYS HZ1 . . . . . . . . . c30244_5us3 1 . 5 . 2485 . 1 1 27 LYS HZ2 H -6.390 -7.937 7.196 . . . 1.0 . . . . . . . . . . . . A . 27 LYS HZ2 . . . . . . . . . c30244_5us3 1 . 5 . 2486 . 1 1 27 LYS HZ3 H -7.131 -9.096 6.211 . . . 1.0 . . . . . . . . . . . . A . 27 LYS HZ3 . . . . . . . . . c30244_5us3 1 . 5 . 2487 . 1 1 27 LYS N N -9.702 -9.281 1.234 . . . 1.0 . . . . . . . . . . . . A . 27 LYS N . . . . . . . . . c30244_5us3 1 . 5 . 2488 . 1 1 27 LYS NZ N -7.296 -8.249 6.791 . . . 1.0 . . . . . . . . . . . . A . 27 LYS NZ . . . . . . . . . c30244_5us3 1 . 5 . 2489 . 1 1 27 LYS O O -12.330 -10.100 1.234 . . . 1.0 . . . . . . . . . . . . A . 27 LYS O . . . . . . . . . c30244_5us3 1 . 5 . 2490 . 1 1 28 LYS C C -14.272 -11.811 3.696 . . . 1.0 . . . . . . . . . . . . A . 28 LYS C . . . . . . . . . c30244_5us3 1 . 5 . 2491 . 1 1 28 LYS CA C -13.225 -12.326 2.704 . . . 1.0 . . . . . . . . . . . . A . 28 LYS CA . . . . . . . . . c30244_5us3 1 . 5 . 2492 . 1 1 28 LYS CB C -13.035 -13.840 2.869 . . . 1.0 . . . . . . . . . . . . A . 28 LYS CB . . . . . . . . . c30244_5us3 1 . 5 . 2493 . 1 1 28 LYS CD C -12.156 -16.001 1.925 . . . 1.0 . . . . . . . . . . . . A . 28 LYS CD . . . . . . . . . c30244_5us3 1 . 5 . 2494 . 1 1 28 LYS CE C -11.450 -16.673 0.756 . . . 1.0 . . . . . . . . . . . . A . 28 LYS CE . . . . . . . . . c30244_5us3 1 . 5 . 2495 . 1 1 28 LYS CG C -12.323 -14.504 1.700 . . . 1.0 . . . . . . . . . . . . A . 28 LYS CG . . . . . . . . . c30244_5us3 1 . 5 . 2496 . 1 1 28 LYS H H -11.323 -11.937 3.557 . . . 1.0 . . . . . . . . . . . . A . 28 LYS H . . . . . . . . . c30244_5us3 1 . 5 . 2497 . 1 1 28 LYS HA H -13.577 -12.127 1.702 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HA . . . . . . . . . c30244_5us3 1 . 5 . 2498 . 1 1 28 LYS HB2 H -12.457 -14.022 3.763 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HB2 . . . . . . . . . c30244_5us3 1 . 5 . 2499 . 1 1 28 LYS HB3 H -14.005 -14.302 2.980 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HB3 . . . . . . . . . c30244_5us3 1 . 5 . 2500 . 1 1 28 LYS HD2 H -11.573 -16.156 2.821 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HD2 . . . . . . . . . c30244_5us3 1 . 5 . 2501 . 1 1 28 LYS HD3 H -13.132 -16.446 2.048 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HD3 . . . . . . . . . c30244_5us3 1 . 5 . 2502 . 1 1 28 LYS HE2 H -10.581 -16.088 0.494 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HE2 . . . . . . . . . c30244_5us3 1 . 5 . 2503 . 1 1 28 LYS HE3 H -11.136 -17.661 1.063 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HE3 . . . . . . . . . c30244_5us3 1 . 5 . 2504 . 1 1 28 LYS HG2 H -12.902 -14.349 0.803 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HG2 . . . . . . . . . c30244_5us3 1 . 5 . 2505 . 1 1 28 LYS HG3 H -11.347 -14.056 1.584 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HG3 . . . . . . . . . c30244_5us3 1 . 5 . 2506 . 1 1 28 LYS HZ1 H -13.172 -17.359 -0.210 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HZ1 . . . . . . . . . c30244_5us3 1 . 5 . 2507 . 1 1 28 LYS HZ2 H -11.817 -17.258 -1.217 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HZ2 . . . . . . . . . c30244_5us3 1 . 5 . 2508 . 1 1 28 LYS HZ3 H -12.634 -15.850 -0.757 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HZ3 . . . . . . . . . c30244_5us3 1 . 5 . 2509 . 1 1 28 LYS N N -11.949 -11.623 2.871 . . . 1.0 . . . . . . . . . . . . A . 28 LYS N . . . . . . . . . c30244_5us3 1 . 5 . 2510 . 1 1 28 LYS NZ N -12.330 -16.793 -0.440 . . . 1.0 . . . . . . . . . . . . A . 28 LYS NZ . . . . . . . . . c30244_5us3 1 . 5 . 2511 . 1 1 28 LYS O O -15.390 -11.470 3.310 . . . 1.0 . . . . . . . . . . . . A . 28 LYS O . . . . . . . . . c30244_5us3 1 . 5 . 2512 . 1 1 29 NH2 HN1 H -13.001 -12.042 5.212 . . . 1.0 . . . . . . . . . . . . A . 29 NH2 HN1 . . . . . . . . . c30244_5us3 1 . 5 . 2513 . 1 1 29 NH2 HN2 H -14.561 -11.428 5.628 . . . 1.0 . . . . . . . . . . . . A . 29 NH2 HN2 . . . . . . . . . c30244_5us3 1 . 5 . 2514 . 1 1 29 NH2 N N -13.907 -11.755 4.976 . . . 1.0 . . . . . . . . . . . . A . 29 NH2 N . . . . . . . . . c30244_5us3 1 . 5 . 2515 . 2 2 1 ZN ZN Zn 1.794 -0.782 -4.358 . . . 1.0 . . . . . . . . . . . . A . 101 ZN ZN . . . . . . . . . c30244_5us3 1 . 6 . 2516 . 1 1 1 LYS C C 7.451 2.930 5.196 . . . 1.0 . . . . . . . . . . . . A . 1 LYS C . . . . . . . . . c30244_5us3 1 . 6 . 2517 . 1 1 1 LYS CA C 8.191 1.973 6.131 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CA . . . . . . . . . c30244_5us3 1 . 6 . 2518 . 1 1 1 LYS CB C 8.585 0.697 5.377 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CB . . . . . . . . . c30244_5us3 1 . 6 . 2519 . 1 1 1 LYS CD C 10.277 -0.515 3.960 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CD . . . . . . . . . c30244_5us3 1 . 6 . 2520 . 1 1 1 LYS CE C 11.635 -0.444 3.275 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CE . . . . . . . . . c30244_5us3 1 . 6 . 2521 . 1 1 1 LYS CG C 9.941 0.779 4.687 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CG . . . . . . . . . c30244_5us3 1 . 6 . 2522 . 1 1 1 LYS H1 H 6.468 1.170 6.989 . . . 1.0 . . . . . . . . . . . . A . 1 LYS H1 . . . . . . . . . c30244_5us3 1 . 6 . 2523 . 1 1 1 LYS H2 H 7.103 2.490 7.834 . . . 1.0 . . . . . . . . . . . . A . 1 LYS H2 . . . . . . . . . c30244_5us3 1 . 6 . 2524 . 1 1 1 LYS H3 H 7.858 0.980 7.934 . . . 1.0 . . . . . . . . . . . . A . 1 LYS H3 . . . . . . . . . c30244_5us3 1 . 6 . 2525 . 1 1 1 LYS HA H 9.085 2.462 6.490 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HA . . . . . . . . . c30244_5us3 1 . 6 . 2526 . 1 1 1 LYS HB2 H 8.613 -0.126 6.076 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HB2 . . . . . . . . . c30244_5us3 1 . 6 . 2527 . 1 1 1 LYS HB3 H 7.836 0.492 4.625 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HB3 . . . . . . . . . c30244_5us3 1 . 6 . 2528 . 1 1 1 LYS HD2 H 10.289 -1.324 4.675 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HD2 . . . . . . . . . c30244_5us3 1 . 6 . 2529 . 1 1 1 LYS HD3 H 9.518 -0.704 3.215 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HD3 . . . . . . . . . c30244_5us3 1 . 6 . 2530 . 1 1 1 LYS HE2 H 12.356 -0.049 3.975 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HE2 . . . . . . . . . c30244_5us3 1 . 6 . 2531 . 1 1 1 LYS HE3 H 11.928 -1.442 2.984 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HE3 . . . . . . . . . c30244_5us3 1 . 6 . 2532 . 1 1 1 LYS HG2 H 9.922 1.588 3.971 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HG2 . . . . . . . . . c30244_5us3 1 . 6 . 2533 . 1 1 1 LYS HG3 H 10.701 0.972 5.430 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HG3 . . . . . . . . . c30244_5us3 1 . 6 . 2534 . 1 1 1 LYS HZ1 H 12.553 0.455 1.625 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HZ1 . . . . . . . . . c30244_5us3 1 . 6 . 2535 . 1 1 1 LYS HZ2 H 11.335 1.395 2.326 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HZ2 . . . . . . . . . c30244_5us3 1 . 6 . 2536 . 1 1 1 LYS HZ3 H 10.928 0.059 1.373 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HZ3 . . . . . . . . . c30244_5us3 1 . 6 . 2537 . 1 1 1 LYS N N 7.347 1.629 7.304 . . . 1.0 . . . . . . . . . . . . A . 1 LYS N . . . . . . . . . c30244_5us3 1 . 6 . 2538 . 1 1 1 LYS NZ N 11.611 0.427 2.065 . . . 1.0 . . . . . . . . . . . . A . 1 LYS NZ . . . . . . . . . c30244_5us3 1 . 6 . 2539 . 1 1 1 LYS O O 6.218 2.912 5.126 . . . 1.0 . . . . . . . . . . . . A . 1 LYS O . . . . . . . . . c30244_5us3 1 . 6 . 2540 . 1 1 2 TYR C C 7.600 4.155 2.113 . . . 1.0 . . . . . . . . . . . . A . 2 TYR C . . . . . . . . . c30244_5us3 1 . 6 . 2541 . 1 1 2 TYR CA C 7.661 4.733 3.539 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CA . . . . . . . . . c30244_5us3 1 . 6 . 2542 . 1 1 2 TYR CB C 8.500 6.015 3.546 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CB . . . . . . . . . c30244_5us3 1 . 6 . 2543 . 1 1 2 TYR CD1 C 7.366 7.824 4.896 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CD1 . . . . . . . . . c30244_5us3 1 . 6 . 2544 . 1 1 2 TYR CD2 C 9.172 6.636 5.901 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CD2 . . . . . . . . . c30244_5us3 1 . 6 . 2545 . 1 1 2 TYR CE1 C 7.220 8.580 6.043 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CE1 . . . . . . . . . c30244_5us3 1 . 6 . 2546 . 1 1 2 TYR CE2 C 9.031 7.387 7.052 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CE2 . . . . . . . . . c30244_5us3 1 . 6 . 2547 . 1 1 2 TYR CG C 8.343 6.840 4.805 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CG . . . . . . . . . c30244_5us3 1 . 6 . 2548 . 1 1 2 TYR CZ C 8.054 8.358 7.118 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CZ . . . . . . . . . c30244_5us3 1 . 6 . 2549 . 1 1 2 TYR H H 9.193 3.709 4.586 . . . 1.0 . . . . . . . . . . . . A . 2 TYR H . . . . . . . . . c30244_5us3 1 . 6 . 2550 . 1 1 2 TYR HA H 6.660 4.965 3.866 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HA . . . . . . . . . c30244_5us3 1 . 6 . 2551 . 1 1 2 TYR HB2 H 9.544 5.753 3.453 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HB2 . . . . . . . . . c30244_5us3 1 . 6 . 2552 . 1 1 2 TYR HB3 H 8.215 6.630 2.707 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HB3 . . . . . . . . . c30244_5us3 1 . 6 . 2553 . 1 1 2 TYR HD1 H 6.714 7.995 4.052 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HD1 . . . . . . . . . c30244_5us3 1 . 6 . 2554 . 1 1 2 TYR HD2 H 9.936 5.875 5.847 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HD2 . . . . . . . . . c30244_5us3 1 . 6 . 2555 . 1 1 2 TYR HE1 H 6.454 9.340 6.095 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HE1 . . . . . . . . . c30244_5us3 1 . 6 . 2556 . 1 1 2 TYR HE2 H 9.685 7.213 7.894 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HE2 . . . . . . . . . c30244_5us3 1 . 6 . 2557 . 1 1 2 TYR HH H 8.774 9.395 8.568 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HH . . . . . . . . . c30244_5us3 1 . 6 . 2558 . 1 1 2 TYR N N 8.220 3.757 4.479 . . . 1.0 . . . . . . . . . . . . A . 2 TYR N . . . . . . . . . c30244_5us3 1 . 6 . 2559 . 1 1 2 TYR O O 8.452 3.333 1.762 . . . 1.0 . . . . . . . . . . . . A . 2 TYR O . . . . . . . . . c30244_5us3 1 . 6 . 2560 . 1 1 2 TYR OH O 7.911 9.108 8.263 . . . 1.0 . . . . . . . . . . . . A . 2 TYR OH . . . . . . . . . c30244_5us3 1 . 6 . 2561 . 1 1 3 . C C 6.090 2.590 -0.197 . . . 1.0 . . . . . . . . . . . . A . 3 MAA C . . . . . . . . . c30244_5us3 1 . 6 . 2562 . 1 1 3 . CA C 6.446 4.056 -0.144 . . . 1.0 . . . . . . . . . . . . A . 3 MAA CA . . . . . . . . . c30244_5us3 1 . 6 . 2563 . 1 1 3 . CB C 7.715 4.235 -0.960 . . . 1.0 . . . . . . . . . . . . A . 3 MAA CB . . . . . . . . . c30244_5us3 1 . 6 . 2564 . 1 1 3 . CM C 5.541 5.509 1.729 . . . 1.0 . . . . . . . . . . . . A . 3 MAA CM . . . . . . . . . c30244_5us3 1 . 6 . 2565 . 1 1 3 . HA H 5.653 4.594 -0.671 . . . 1.0 . . . . . . . . . . . . A . 3 MAA HA . . . . . . . . . c30244_5us3 1 . 6 . 2566 . 1 1 3 . HB1 H 8.574 4.089 -0.327 . . . 1.0 . . . . . . . . . . . . A . 3 MAA HB1 . . . . . . . . . c30244_5us3 1 . 6 . 2567 . 1 1 3 . HB2 H 7.738 5.221 -1.393 . . . 1.0 . . . . . . . . . . . . A . 3 MAA HB2 . . . . . . . . . c30244_5us3 1 . 6 . 2568 . 1 1 3 . HB3 H 7.713 3.484 -1.743 . . . 1.0 . . . . . . . . . . . . A . 3 MAA HB3 . . . . . . . . . c30244_5us3 1 . 6 . 2569 . 1 1 3 . HM1 H 6.010 6.350 2.215 . . . 1.0 . . . . . . . . . . . . A . 3 MAA HM1 . . . . . . . . . c30244_5us3 1 . 6 . 2570 . 1 1 3 . HM2 H 4.888 5.005 2.427 . . . 1.0 . . . . . . . . . . . . A . 3 MAA HM2 . . . . . . . . . c30244_5us3 1 . 6 . 2571 . 1 1 3 . HM3 H 4.962 5.860 0.889 . . . 1.0 . . . . . . . . . . . . A . 3 MAA HM3 . . . . . . . . . c30244_5us3 1 . 6 . 2572 . 1 1 3 . N N 6.582 4.559 1.257 . . . 1.0 . . . . . . . . . . . . A . 3 MAA N . . . . . . . . . c30244_5us3 1 . 6 . 2573 . 1 1 3 . O O 6.367 1.817 0.723 . . . 1.0 . . . . . . . . . . . . A . 3 MAA O . . . . . . . . . c30244_5us3 1 . 6 . 2574 . 1 1 4 CYS C C 6.197 -0.100 -1.810 . . . 1.0 . . . . . . . . . . . . A . 4 CYS C . . . . . . . . . c30244_5us3 1 . 6 . 2575 . 1 1 4 CYS CA C 5.068 0.901 -1.639 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CA . . . . . . . . . c30244_5us3 1 . 6 . 2576 . 1 1 4 CYS CB C 4.222 0.995 -2.867 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CB . . . . . . . . . c30244_5us3 1 . 6 . 2577 . 1 1 4 CYS H H 5.381 2.931 -2.009 . . . 1.0 . . . . . . . . . . . . A . 4 CYS H . . . . . . . . . c30244_5us3 1 . 6 . 2578 . 1 1 4 CYS HA H 4.462 0.531 -0.843 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HA . . . . . . . . . c30244_5us3 1 . 6 . 2579 . 1 1 4 CYS HB2 H 3.258 1.414 -2.606 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB2 . . . . . . . . . c30244_5us3 1 . 6 . 2580 . 1 1 4 CYS HB3 H 4.709 1.647 -3.569 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB3 . . . . . . . . . c30244_5us3 1 . 6 . 2581 . 1 1 4 CYS N N 5.515 2.238 -1.330 . . . 1.0 . . . . . . . . . . . . A . 4 CYS N . . . . . . . . . c30244_5us3 1 . 6 . 2582 . 1 1 4 CYS O O 7.276 0.223 -2.314 . . . 1.0 . . . . . . . . . . . . A . 4 CYS O . . . . . . . . . c30244_5us3 1 . 6 . 2583 . 1 1 4 CYS SG S 3.950 -0.565 -3.678 . . . 1.0 . . . . . . . . . . . . A . 4 CYS SG . . . . . . . . . c30244_5us3 1 . 6 . 2584 . 1 1 5 PRO C C 6.937 -3.257 -2.704 . . . 1.0 . . . . . . . . . . . . A . 5 PRO C . . . . . . . . . c30244_5us3 1 . 6 . 2585 . 1 1 5 PRO CA C 6.873 -2.450 -1.401 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CA . . . . . . . . . c30244_5us3 1 . 6 . 2586 . 1 1 5 PRO CB C 6.320 -3.294 -0.262 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CB . . . . . . . . . c30244_5us3 1 . 6 . 2587 . 1 1 5 PRO CD C 4.623 -1.767 -0.737 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CD . . . . . . . . . c30244_5us3 1 . 6 . 2588 . 1 1 5 PRO CG C 4.851 -3.209 -0.456 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CG . . . . . . . . . c30244_5us3 1 . 6 . 2589 . 1 1 5 PRO HA H 7.857 -2.116 -1.153 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HA . . . . . . . . . c30244_5us3 1 . 6 . 2590 . 1 1 5 PRO HB2 H 6.678 -4.309 -0.326 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HB2 . . . . . . . . . c30244_5us3 1 . 6 . 2591 . 1 1 5 PRO HB3 H 6.581 -2.839 0.678 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HB3 . . . . . . . . . c30244_5us3 1 . 6 . 2592 . 1 1 5 PRO HD2 H 3.794 -1.638 -1.419 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HD2 . . . . . . . . . c30244_5us3 1 . 6 . 2593 . 1 1 5 PRO HD3 H 4.451 -1.231 0.183 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HD3 . . . . . . . . . c30244_5us3 1 . 6 . 2594 . 1 1 5 PRO HG2 H 4.549 -3.808 -1.306 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HG2 . . . . . . . . . c30244_5us3 1 . 6 . 2595 . 1 1 5 PRO HG3 H 4.327 -3.503 0.436 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HG3 . . . . . . . . . c30244_5us3 1 . 6 . 2596 . 1 1 5 PRO N N 5.917 -1.343 -1.370 . . . 1.0 . . . . . . . . . . . . A . 5 PRO N . . . . . . . . . c30244_5us3 1 . 6 . 2597 . 1 1 5 PRO O O 7.947 -3.921 -2.960 . . . 1.0 . . . . . . . . . . . . A . 5 PRO O . . . . . . . . . c30244_5us3 1 . 6 . 2598 . 1 1 6 GLU C C 5.509 -3.162 -5.987 . . . 1.0 . . . . . . . . . . . . A . 6 GLU C . . . . . . . . . c30244_5us3 1 . 6 . 2599 . 1 1 6 GLU CA C 5.872 -3.998 -4.773 . . . 1.0 . . . . . . . . . . . . A . 6 GLU CA . . . . . . . . . c30244_5us3 1 . 6 . 2600 . 1 1 6 GLU CB C 4.951 -5.230 -4.691 . . . 1.0 . . . . . . . . . . . . A . 6 GLU CB . . . . . . . . . c30244_5us3 1 . 6 . 2601 . 1 1 6 GLU CD C 6.174 -7.054 -3.433 . . . 1.0 . . . . . . . . . . . . A . 6 GLU CD . . . . . . . . . c30244_5us3 1 . 6 . 2602 . 1 1 6 GLU CG C 5.071 -6.012 -3.396 . . . 1.0 . . . . . . . . . . . . A . 6 GLU CG . . . . . . . . . c30244_5us3 1 . 6 . 2603 . 1 1 6 GLU H H 5.122 -2.596 -3.297 . . . 1.0 . . . . . . . . . . . . A . 6 GLU H . . . . . . . . . c30244_5us3 1 . 6 . 2604 . 1 1 6 GLU HA H 6.878 -4.353 -4.913 . . . 1.0 . . . . . . . . . . . . A . 6 GLU HA . . . . . . . . . c30244_5us3 1 . 6 . 2605 . 1 1 6 GLU HB2 H 3.930 -4.917 -4.803 . . . 1.0 . . . . . . . . . . . . A . 6 GLU HB2 . . . . . . . . . c30244_5us3 1 . 6 . 2606 . 1 1 6 GLU HB3 H 5.198 -5.896 -5.506 . . . 1.0 . . . . . . . . . . . . A . 6 GLU HB3 . . . . . . . . . c30244_5us3 1 . 6 . 2607 . 1 1 6 GLU HG2 H 5.287 -5.311 -2.607 . . . 1.0 . . . . . . . . . . . . A . 6 GLU HG2 . . . . . . . . . c30244_5us3 1 . 6 . 2608 . 1 1 6 GLU HG3 H 4.132 -6.503 -3.195 . . . 1.0 . . . . . . . . . . . . A . 6 GLU HG3 . . . . . . . . . c30244_5us3 1 . 6 . 2609 . 1 1 6 GLU N N 5.881 -3.204 -3.520 . . . 1.0 . . . . . . . . . . . . A . 6 GLU N . . . . . . . . . c30244_5us3 1 . 6 . 2610 . 1 1 6 GLU O O 5.899 -3.500 -7.110 . . . 1.0 . . . . . . . . . . . . A . 6 GLU O . . . . . . . . . c30244_5us3 1 . 6 . 2611 . 1 1 6 GLU OE1 O 5.894 -8.202 -3.836 . . . 1.0 . . . . . . . . . . . . A . 6 GLU OE1 . . . . . . . . . c30244_5us3 1 . 6 . 2612 . 1 1 6 GLU OE2 O 7.318 -6.720 -3.060 . . . 1.0 . . . . . . . . . . . . A . 6 GLU OE2 . . . . . . . . . c30244_5us3 1 . 6 . 2613 . 1 1 7 CYS C C 4.617 0.301 -6.573 . . . 1.0 . . . . . . . . . . . . A . 7 CYS C . . . . . . . . . c30244_5us3 1 . 6 . 2614 . 1 1 7 CYS CA C 4.390 -1.194 -6.885 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CA . . . . . . . . . c30244_5us3 1 . 6 . 2615 . 1 1 7 CYS CB C 2.977 -1.439 -7.445 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CB . . . . . . . . . c30244_5us3 1 . 6 . 2616 . 1 1 7 CYS H H 4.518 -1.857 -4.837 . . . 1.0 . . . . . . . . . . . . A . 7 CYS H . . . . . . . . . c30244_5us3 1 . 6 . 2617 . 1 1 7 CYS HA H 5.073 -1.461 -7.658 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HA . . . . . . . . . c30244_5us3 1 . 6 . 2618 . 1 1 7 CYS HB2 H 2.953 -1.042 -8.444 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB2 . . . . . . . . . c30244_5us3 1 . 6 . 2619 . 1 1 7 CYS HB3 H 2.794 -2.500 -7.481 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB3 . . . . . . . . . c30244_5us3 1 . 6 . 2620 . 1 1 7 CYS N N 4.767 -2.078 -5.769 . . . 1.0 . . . . . . . . . . . . A . 7 CYS N . . . . . . . . . c30244_5us3 1 . 6 . 2621 . 1 1 7 CYS O O 3.897 0.878 -5.767 . . . 1.0 . . . . . . . . . . . . A . 7 CYS O . . . . . . . . . c30244_5us3 1 . 6 . 2622 . 1 1 7 CYS SG S 1.587 -0.665 -6.575 . . . 1.0 . . . . . . . . . . . . A . 7 CYS SG . . . . . . . . . c30244_5us3 1 . 6 . 2623 . 1 1 8 PRO C C 4.848 3.402 -7.199 . . . 1.0 . . . . . . . . . . . . A . 8 PRO C . . . . . . . . . c30244_5us3 1 . 6 . 2624 . 1 1 8 PRO CA C 5.994 2.378 -7.072 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CA . . . . . . . . . c30244_5us3 1 . 6 . 2625 . 1 1 8 PRO CB C 7.039 2.608 -8.173 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CB . . . . . . . . . c30244_5us3 1 . 6 . 2626 . 1 1 8 PRO CD C 6.443 0.314 -8.281 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CD . . . . . . . . . c30244_5us3 1 . 6 . 2627 . 1 1 8 PRO CG C 7.587 1.264 -8.469 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CG . . . . . . . . . c30244_5us3 1 . 6 . 2628 . 1 1 8 PRO HA H 6.468 2.519 -6.111 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HA . . . . . . . . . c30244_5us3 1 . 6 . 2629 . 1 1 8 PRO HB2 H 6.562 3.034 -9.048 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HB2 . . . . . . . . . c30244_5us3 1 . 6 . 2630 . 1 1 8 PRO HB3 H 7.821 3.260 -7.818 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HB3 . . . . . . . . . c30244_5us3 1 . 6 . 2631 . 1 1 8 PRO HD2 H 5.879 0.205 -9.188 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HD2 . . . . . . . . . c30244_5us3 1 . 6 . 2632 . 1 1 8 PRO HD3 H 6.796 -0.640 -7.929 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HD3 . . . . . . . . . c30244_5us3 1 . 6 . 2633 . 1 1 8 PRO HG2 H 7.948 1.229 -9.488 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HG2 . . . . . . . . . c30244_5us3 1 . 6 . 2634 . 1 1 8 PRO HG3 H 8.380 1.026 -7.777 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HG3 . . . . . . . . . c30244_5us3 1 . 6 . 2635 . 1 1 8 PRO N N 5.609 0.949 -7.258 . . . 1.0 . . . . . . . . . . . . A . 8 PRO N . . . . . . . . . c30244_5us3 1 . 6 . 2636 . 1 1 8 PRO O O 4.988 4.443 -7.856 . . . 1.0 . . . . . . . . . . . . A . 8 PRO O . . . . . . . . . c30244_5us3 1 . 6 . 2637 . 1 1 9 LYS C C 2.838 5.241 -5.648 . . . 1.0 . . . . . . . . . . . . A . 9 LYS C . . . . . . . . . c30244_5us3 1 . 6 . 2638 . 1 1 9 LYS CA C 2.565 3.987 -6.505 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CA . . . . . . . . . c30244_5us3 1 . 6 . 2639 . 1 1 9 LYS CB C 1.319 3.186 -6.086 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CB . . . . . . . . . c30244_5us3 1 . 6 . 2640 . 1 1 9 LYS CD C -0.245 3.182 -8.077 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CD . . . . . . . . . c30244_5us3 1 . 6 . 2641 . 1 1 9 LYS CE C -1.551 3.709 -8.648 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CE . . . . . . . . . c30244_5us3 1 . 6 . 2642 . 1 1 9 LYS CG C 0.003 3.710 -6.669 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CG . . . . . . . . . c30244_5us3 1 . 6 . 2643 . 1 1 9 LYS H H 3.658 2.235 -6.095 . . . 1.0 . . . . . . . . . . . . A . 9 LYS H . . . . . . . . . c30244_5us3 1 . 6 . 2644 . 1 1 9 LYS HA H 2.420 4.334 -7.455 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HA . . . . . . . . . c30244_5us3 1 . 6 . 2645 . 1 1 9 LYS HB2 H 1.444 2.167 -6.423 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB2 . . . . . . . . . c30244_5us3 1 . 6 . 2646 . 1 1 9 LYS HB3 H 1.248 3.185 -5.014 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB3 . . . . . . . . . c30244_5us3 1 . 6 . 2647 . 1 1 9 LYS HD2 H 0.568 3.494 -8.717 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD2 . . . . . . . . . c30244_5us3 1 . 6 . 2648 . 1 1 9 LYS HD3 H -0.285 2.103 -8.044 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD3 . . . . . . . . . c30244_5us3 1 . 6 . 2649 . 1 1 9 LYS HE2 H -2.361 3.398 -8.006 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE2 . . . . . . . . . c30244_5us3 1 . 6 . 2650 . 1 1 9 LYS HE3 H -1.507 4.788 -8.675 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE3 . . . . . . . . . c30244_5us3 1 . 6 . 2651 . 1 1 9 LYS HG2 H -0.813 3.396 -6.036 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG2 . . . . . . . . . c30244_5us3 1 . 6 . 2652 . 1 1 9 LYS HG3 H 0.041 4.790 -6.704 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG3 . . . . . . . . . c30244_5us3 1 . 6 . 2653 . 1 1 9 LYS HZ1 H -1.033 3.493 -10.660 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ1 . . . . . . . . . c30244_5us3 1 . 6 . 2654 . 1 1 9 LYS HZ2 H -2.700 3.576 -10.387 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ2 . . . . . . . . . c30244_5us3 1 . 6 . 2655 . 1 1 9 LYS HZ3 H -1.854 2.160 -10.017 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ3 . . . . . . . . . c30244_5us3 1 . 6 . 2656 . 1 1 9 LYS N N 3.722 3.103 -6.545 . . . 1.0 . . . . . . . . . . . . A . 9 LYS N . . . . . . . . . c30244_5us3 1 . 6 . 2657 . 1 1 9 LYS NZ N -1.802 3.199 -10.024 . . . 1.0 . . . . . . . . . . . . A . 9 LYS NZ . . . . . . . . . c30244_5us3 1 . 6 . 2658 . 1 1 9 LYS O O 2.404 6.329 -6.026 . . . 1.0 . . . . . . . . . . . . A . 9 LYS O . . . . . . . . . c30244_5us3 1 . 6 . 2659 . 1 1 10 MMO C C 3.042 7.376 -3.453 . . . 1.0 . . . . . . . . . . . . A . 10 MMO C . . . . . . . . . c30244_5us3 1 . 6 . 2660 . 1 1 10 MMO CA C 3.994 6.185 -3.593 . . . 1.0 . . . . . . . . . . . . A . 10 MMO CA . . . . . . . . . c30244_5us3 1 . 6 . 2661 . 1 1 10 MMO CB C 5.386 6.611 -4.101 . . . 1.0 . . . . . . . . . . . . A . 10 MMO CB . . . . . . . . . c30244_5us3 1 . 6 . 2662 . 1 1 10 MMO CD C 7.770 6.967 -3.383 . . . 1.0 . . . . . . . . . . . . A . 10 MMO CD . . . . . . . . . c30244_5us3 1 . 6 . 2663 . 1 1 10 MMO CG C 6.305 7.192 -3.033 . . . 1.0 . . . . . . . . . . . . A . 10 MMO CG . . . . . . . . . c30244_5us3 1 . 6 . 2664 . 1 1 10 MMO CN C 3.934 3.759 -4.032 . . . 1.0 . . . . . . . . . . . . A . 10 MMO CN . . . . . . . . . c30244_5us3 1 . 6 . 2665 . 1 1 10 MMO CZ C 9.469 7.859 -4.970 . . . 1.0 . . . . . . . . . . . . A . 10 MMO CZ . . . . . . . . . c30244_5us3 1 . 6 . 2666 . 1 1 10 MMO HA H 4.094 5.735 -2.639 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HA . . . . . . . . . c30244_5us3 1 . 6 . 2667 . 1 1 10 MMO HC1 H 5.009 3.671 -3.996 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HC1 . . . . . . . . . c30244_5us3 1 . 6 . 2668 . 1 1 10 MMO HC2 H 3.531 3.033 -4.721 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HC2 . . . . . . . . . c30244_5us3 1 . 6 . 2669 . 1 1 10 MMO HC3 H 3.524 3.594 -3.048 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HC3 . . . . . . . . . c30244_5us3 1 . 6 . 2670 . 1 1 10 MMO HCB1 H 5.263 7.344 -4.883 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HCB1 . . . . . . . . . c30244_5us3 1 . 6 . 2671 . 1 1 10 MMO HCB2 H 5.870 5.739 -4.511 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HCB2 . . . . . . . . . c30244_5us3 1 . 6 . 2672 . 1 1 10 MMO HCD1 H 7.895 5.939 -3.698 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HCD1 . . . . . . . . . c30244_5us3 1 . 6 . 2673 . 1 1 10 MMO HCD2 H 8.368 7.149 -2.503 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HCD2 . . . . . . . . . c30244_5us3 1 . 6 . 2674 . 1 1 10 MMO HCG1 H 6.092 6.716 -2.088 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HCG1 . . . . . . . . . c30244_5us3 1 . 6 . 2675 . 1 1 10 MMO HCG2 H 6.123 8.255 -2.951 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HCG2 . . . . . . . . . c30244_5us3 1 . 6 . 2676 . 1 1 10 MMO HH11 H 11.324 7.043 -4.907 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HH11 . . . . . . . . . c30244_5us3 1 . 6 . 2677 . 1 1 10 MMO HH12 H 10.186 6.382 -3.781 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HH12 . . . . . . . . . c30244_5us3 1 . 6 . 2678 . 1 1 10 MMO HH21 H 9.082 9.335 -6.294 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HH21 . . . . . . . . . c30244_5us3 1 . 6 . 2679 . 1 1 10 MMO HH22 H 10.698 8.713 -6.328 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HH22 . . . . . . . . . c30244_5us3 1 . 6 . 2680 . 1 1 10 MMO N N 3.573 5.100 -4.498 . . . 1.0 . . . . . . . . . . . . A . 10 MMO N . . . . . . . . . c30244_5us3 1 . 6 . 2681 . 1 1 10 MMO NE N 8.230 7.855 -4.461 . . . 1.0 . . . . . . . . . . . . A . 10 MMO NE . . . . . . . . . c30244_5us3 1 . 6 . 2682 . 1 1 10 MMO NH1 N 10.404 7.025 -4.515 . . . 1.0 . . . . . . . . . . . . A . 10 MMO NH1 . . . . . . . . . c30244_5us3 1 . 6 . 2683 . 1 1 10 MMO NH2 N 9.774 8.705 -5.944 . . . 1.0 . . . . . . . . . . . . A . 10 MMO NH2 . . . . . . . . . c30244_5us3 1 . 6 . 2684 . 1 1 10 MMO O O 2.680 8.041 -4.426 . . . 1.0 . . . . . . . . . . . . A . 10 MMO O . . . . . . . . . c30244_5us3 1 . 6 . 2685 . 1 1 11 PHE C C 2.209 9.498 -0.630 . . . 1.0 . . . . . . . . . . . . A . 11 PHE C . . . . . . . . . c30244_5us3 1 . 6 . 2686 . 1 1 11 PHE CA C 1.719 8.678 -1.823 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CA . . . . . . . . . c30244_5us3 1 . 6 . 2687 . 1 1 11 PHE CB C 0.388 7.962 -1.482 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CB . . . . . . . . . c30244_5us3 1 . 6 . 2688 . 1 1 11 PHE CD1 C 0.715 5.533 -0.849 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CD1 . . . . . . . . . c30244_5us3 1 . 6 . 2689 . 1 1 11 PHE CD2 C 0.318 6.074 -3.137 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CD2 . . . . . . . . . c30244_5us3 1 . 6 . 2690 . 1 1 11 PHE CE1 C 0.841 4.212 -1.194 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CE1 . . . . . . . . . c30244_5us3 1 . 6 . 2691 . 1 1 11 PHE CE2 C 0.449 4.756 -3.473 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CE2 . . . . . . . . . c30244_5us3 1 . 6 . 2692 . 1 1 11 PHE CG C 0.451 6.491 -1.820 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CG . . . . . . . . . c30244_5us3 1 . 6 . 2693 . 1 1 11 PHE CZ C 0.713 3.829 -2.517 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CZ . . . . . . . . . c30244_5us3 1 . 6 . 2694 . 1 1 11 PHE H H 3.105 7.117 -1.475 . . . 1.0 . . . . . . . . . . . . A . 11 PHE H . . . . . . . . . c30244_5us3 1 . 6 . 2695 . 1 1 11 PHE HA H 1.570 9.327 -2.671 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HA . . . . . . . . . c30244_5us3 1 . 6 . 2696 . 1 1 11 PHE HB2 H 0.187 8.060 -0.426 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HB2 . . . . . . . . . c30244_5us3 1 . 6 . 2697 . 1 1 11 PHE HB3 H -0.418 8.404 -2.048 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HB3 . . . . . . . . . c30244_5us3 1 . 6 . 2698 . 1 1 11 PHE HD1 H 0.847 5.825 0.183 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HD1 . . . . . . . . . c30244_5us3 1 . 6 . 2699 . 1 1 11 PHE HD2 H 0.115 6.801 -3.904 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HD2 . . . . . . . . . c30244_5us3 1 . 6 . 2700 . 1 1 11 PHE HE1 H 1.031 3.486 -0.431 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HE1 . . . . . . . . . c30244_5us3 1 . 6 . 2701 . 1 1 11 PHE HE2 H 0.382 4.446 -4.505 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HE2 . . . . . . . . . c30244_5us3 1 . 6 . 2702 . 1 1 11 PHE HZ H 0.813 2.792 -2.810 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HZ . . . . . . . . . c30244_5us3 1 . 6 . 2703 . 1 1 11 PHE N N 2.691 7.641 -2.192 . . . 1.0 . . . . . . . . . . . . A . 11 PHE N . . . . . . . . . c30244_5us3 1 . 6 . 2704 . 1 1 11 PHE O O 1.463 10.311 -0.071 . . . 1.0 . . . . . . . . . . . . A . 11 PHE O . . . . . . . . . c30244_5us3 1 . 6 . 2705 . 1 1 12 NLE C C 3.497 9.569 2.233 . . . 1.0 . . . . . . . . . . . . A . 12 NLE C . . . . . . . . . c30244_5us3 1 . 6 . 2706 . 1 1 12 NLE CA C 4.139 9.964 0.888 . . . 1.0 . . . . . . . . . . . . A . 12 NLE CA . . . . . . . . . c30244_5us3 1 . 6 . 2707 . 1 1 12 NLE CB C 4.130 11.503 0.713 . . . 1.0 . . . . . . . . . . . . A . 12 NLE CB . . . . . . . . . c30244_5us3 1 . 6 . 2708 . 1 1 12 NLE CD C 4.377 11.985 -1.757 . . . 1.0 . . . . . . . . . . . . A . 12 NLE CD . . . . . . . . . c30244_5us3 1 . 6 . 2709 . 1 1 12 NLE CE C 5.322 12.503 -2.820 . . . 1.0 . . . . . . . . . . . . A . 12 NLE CE . . . . . . . . . c30244_5us3 1 . 6 . 2710 . 1 1 12 NLE CG C 5.053 12.014 -0.392 . . . 1.0 . . . . . . . . . . . . A . 12 NLE CG . . . . . . . . . c30244_5us3 1 . 6 . 2711 . 1 1 12 NLE H H 4.016 8.633 -0.763 . . . 1.0 . . . . . . . . . . . . A . 12 NLE H . . . . . . . . . c30244_5us3 1 . 6 . 2712 . 1 1 12 NLE HA H 5.167 9.632 0.906 . . . 1.0 . . . . . . . . . . . . A . 12 NLE HA . . . . . . . . . c30244_5us3 1 . 6 . 2713 . 1 1 12 NLE HB2 H 4.432 11.958 1.645 . . . 1.0 . . . . . . . . . . . . A . 12 NLE HB2 . . . . . . . . . c30244_5us3 1 . 6 . 2714 . 1 1 12 NLE HB3 H 3.124 11.818 0.480 . . . 1.0 . . . . . . . . . . . . A . 12 NLE HB3 . . . . . . . . . c30244_5us3 1 . 6 . 2715 . 1 1 12 NLE HD2 H 3.498 12.611 -1.737 . . . 1.0 . . . . . . . . . . . . A . 12 NLE HD2 . . . . . . . . . c30244_5us3 1 . 6 . 2716 . 1 1 12 NLE HD3 H 4.104 10.969 -2.002 . . . 1.0 . . . . . . . . . . . . A . 12 NLE HD3 . . . . . . . . . c30244_5us3 1 . 6 . 2717 . 1 1 12 NLE HE1 H 6.206 11.883 -2.849 . . . 1.0 . . . . . . . . . . . . A . 12 NLE HE1 . . . . . . . . . c30244_5us3 1 . 6 . 2718 . 1 1 12 NLE HE2 H 5.603 13.519 -2.587 . . . 1.0 . . . . . . . . . . . . A . 12 NLE HE2 . . . . . . . . . c30244_5us3 1 . 6 . 2719 . 1 1 12 NLE HE3 H 4.832 12.476 -3.782 . . . 1.0 . . . . . . . . . . . . A . 12 NLE HE3 . . . . . . . . . c30244_5us3 1 . 6 . 2720 . 1 1 12 NLE HG2 H 5.935 11.392 -0.425 . . . 1.0 . . . . . . . . . . . . A . 12 NLE HG2 . . . . . . . . . c30244_5us3 1 . 6 . 2721 . 1 1 12 NLE HG3 H 5.338 13.031 -0.168 . . . 1.0 . . . . . . . . . . . . A . 12 NLE HG3 . . . . . . . . . c30244_5us3 1 . 6 . 2722 . 1 1 12 NLE N N 3.488 9.281 -0.252 . . . 1.0 . . . . . . . . . . . . A . 12 NLE N . . . . . . . . . c30244_5us3 1 . 6 . 2723 . 1 1 12 NLE O O 3.747 10.209 3.262 . . . 1.0 . . . . . . . . . . . . A . 12 NLE O . . . . . . . . . c30244_5us3 1 . 6 . 2724 . 1 1 13 ARG C C 2.284 6.533 3.606 . . . 1.0 . . . . . . . . . . . . A . 13 ARG C . . . . . . . . . c30244_5us3 1 . 6 . 2725 . 1 1 13 ARG CA C 2.025 8.016 3.426 . . . 1.0 . . . . . . . . . . . . A . 13 ARG CA . . . . . . . . . c30244_5us3 1 . 6 . 2726 . 1 1 13 ARG CB C 0.520 8.287 3.367 . . . 1.0 . . . . . . . . . . . . A . 13 ARG CB . . . . . . . . . c30244_5us3 1 . 6 . 2727 . 1 1 13 ARG CD C -1.349 9.906 3.807 . . . 1.0 . . . . . . . . . . . . A . 13 ARG CD . . . . . . . . . c30244_5us3 1 . 6 . 2728 . 1 1 13 ARG CG C 0.152 9.733 3.657 . . . 1.0 . . . . . . . . . . . . A . 13 ARG CG . . . . . . . . . c30244_5us3 1 . 6 . 2729 . 1 1 13 ARG CZ C -2.719 11.974 3.601 . . . 1.0 . . . . . . . . . . . . A . 13 ARG CZ . . . . . . . . . c30244_5us3 1 . 6 . 2730 . 1 1 13 ARG H H 2.547 8.001 1.371 . . . 1.0 . . . . . . . . . . . . A . 13 ARG H . . . . . . . . . c30244_5us3 1 . 6 . 2731 . 1 1 13 ARG HA H 2.446 8.547 4.266 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HA . . . . . . . . . c30244_5us3 1 . 6 . 2732 . 1 1 13 ARG HB2 H 0.159 8.037 2.381 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HB2 . . . . . . . . . c30244_5us3 1 . 6 . 2733 . 1 1 13 ARG HB3 H 0.025 7.660 4.094 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HB3 . . . . . . . . . c30244_5us3 1 . 6 . 2734 . 1 1 13 ARG HD2 H -1.823 9.643 2.874 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HD2 . . . . . . . . . c30244_5us3 1 . 6 . 2735 . 1 1 13 ARG HD3 H -1.696 9.243 4.587 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HD3 . . . . . . . . . c30244_5us3 1 . 6 . 2736 . 1 1 13 ARG HE H -1.170 11.727 4.843 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HE . . . . . . . . . c30244_5us3 1 . 6 . 2737 . 1 1 13 ARG HG2 H 0.634 10.041 4.573 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HG2 . . . . . . . . . c30244_5us3 1 . 6 . 2738 . 1 1 13 ARG HG3 H 0.498 10.352 2.842 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HG3 . . . . . . . . . c30244_5us3 1 . 6 . 2739 . 1 1 13 ARG HH11 H -3.322 10.495 2.355 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HH11 . . . . . . . . . c30244_5us3 1 . 6 . 2740 . 1 1 13 ARG HH12 H -4.238 11.963 2.261 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HH12 . . . . . . . . . c30244_5us3 1 . 6 . 2741 . 1 1 13 ARG HH21 H -3.706 13.737 3.588 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HH21 . . . . . . . . . c30244_5us3 1 . 6 . 2742 . 1 1 13 ARG HH22 H -2.383 13.635 4.702 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HH22 . . . . . . . . . c30244_5us3 1 . 6 . 2743 . 1 1 13 ARG N N 2.689 8.494 2.219 . . . 1.0 . . . . . . . . . . . . A . 13 ARG N . . . . . . . . . c30244_5us3 1 . 6 . 2744 . 1 1 13 ARG NE N -1.710 11.285 4.155 . . . 1.0 . . . . . . . . . . . . A . 13 ARG NE . . . . . . . . . c30244_5us3 1 . 6 . 2745 . 1 1 13 ARG NH1 N -3.490 11.432 2.661 . . . 1.0 . . . . . . . . . . . . A . 13 ARG NH1 . . . . . . . . . c30244_5us3 1 . 6 . 2746 . 1 1 13 ARG NH2 N -2.955 13.218 3.996 . . . 1.0 . . . . . . . . . . . . A . 13 ARG NH2 . . . . . . . . . c30244_5us3 1 . 6 . 2747 . 1 1 13 ARG O O 2.238 5.770 2.638 . . . 1.0 . . . . . . . . . . . . A . 13 ARG O . . . . . . . . . c30244_5us3 1 . 6 . 2748 . 1 1 14 SER C C 1.590 3.989 5.606 . . . 1.0 . . . . . . . . . . . . A . 14 SER C . . . . . . . . . c30244_5us3 1 . 6 . 2749 . 1 1 14 SER CA C 2.844 4.739 5.159 . . . 1.0 . . . . . . . . . . . . A . 14 SER CA . . . . . . . . . c30244_5us3 1 . 6 . 2750 . 1 1 14 SER CB C 3.929 4.641 6.233 . . . 1.0 . . . . . . . . . . . . A . 14 SER CB . . . . . . . . . c30244_5us3 1 . 6 . 2751 . 1 1 14 SER H H 2.571 6.797 5.571 . . . 1.0 . . . . . . . . . . . . A . 14 SER H . . . . . . . . . c30244_5us3 1 . 6 . 2752 . 1 1 14 SER HA H 3.210 4.283 4.248 . . . 1.0 . . . . . . . . . . . . A . 14 SER HA . . . . . . . . . c30244_5us3 1 . 6 . 2753 . 1 1 14 SER HB2 H 3.580 5.115 7.138 . . . 1.0 . . . . . . . . . . . . A . 14 SER HB2 . . . . . . . . . c30244_5us3 1 . 6 . 2754 . 1 1 14 SER HB3 H 4.143 3.602 6.431 . . . 1.0 . . . . . . . . . . . . A . 14 SER HB3 . . . . . . . . . c30244_5us3 1 . 6 . 2755 . 1 1 14 SER HG H 5.864 4.684 5.932 . . . 1.0 . . . . . . . . . . . . A . 14 SER HG . . . . . . . . . c30244_5us3 1 . 6 . 2756 . 1 1 14 SER N N 2.559 6.135 4.848 . . . 1.0 . . . . . . . . . . . . A . 14 SER N . . . . . . . . . c30244_5us3 1 . 6 . 2757 . 1 1 14 SER O O 1.390 2.837 5.214 . . . 1.0 . . . . . . . . . . . . A . 14 SER O . . . . . . . . . c30244_5us3 1 . 6 . 2758 . 1 1 14 SER OG O 5.121 5.281 5.815 . . . 1.0 . . . . . . . . . . . . A . 14 SER OG . . . . . . . . . c30244_5us3 1 . 6 . 2759 . 1 1 15 B3D C C -2.354 4.419 5.276 . . . 1.0 . . . . . . . . . . . . A . 15 B3D C . . . . . . . . . c30244_5us3 1 . 6 . 2760 . 1 1 15 B3D CA C -1.695 4.866 6.551 . . . 1.0 . . . . . . . . . . . . A . 15 B3D CA . . . . . . . . . c30244_5us3 1 . 6 . 2761 . 1 1 15 B3D CB C -0.468 4.021 6.897 . . . 1.0 . . . . . . . . . . . . A . 15 B3D CB . . . . . . . . . c30244_5us3 1 . 6 . 2762 . 1 1 15 B3D CD C 0.665 2.929 8.903 . . . 1.0 . . . . . . . . . . . . A . 15 B3D CD . . . . . . . . . c30244_5us3 1 . 6 . 2763 . 1 1 15 B3D CG C -0.424 3.878 8.431 . . . 1.0 . . . . . . . . . . . . A . 15 B3D CG . . . . . . . . . c30244_5us3 1 . 6 . 2764 . 1 1 15 B3D H H 0.964 5.554 6.707 . . . 1.0 . . . . . . . . . . . . A . 15 B3D H . . . . . . . . . c30244_5us3 1 . 6 . 2765 . 1 1 15 B3D HA1 H -1.391 5.896 6.434 . . . 1.0 . . . . . . . . . . . . A . 15 B3D HA1 . . . . . . . . . c30244_5us3 1 . 6 . 2766 . 1 1 15 B3D HA2 H -2.416 4.797 7.349 . . . 1.0 . . . . . . . . . . . . A . 15 B3D HA2 . . . . . . . . . c30244_5us3 1 . 6 . 2767 . 1 1 15 B3D HB H -0.529 3.045 6.377 . . . 1.0 . . . . . . . . . . . . A . 15 B3D HB . . . . . . . . . c30244_5us3 1 . 6 . 2768 . 1 1 15 B3D HG2 H -1.375 3.501 8.779 . . . 1.0 . . . . . . . . . . . . A . 15 B3D HG2 . . . . . . . . . c30244_5us3 1 . 6 . 2769 . 1 1 15 B3D HG3 H -0.244 4.847 8.871 . . . 1.0 . . . . . . . . . . . . A . 15 B3D HG3 . . . . . . . . . c30244_5us3 1 . 6 . 2770 . 1 1 15 B3D N N 0.751 4.639 6.427 . . . 1.0 . . . . . . . . . . . . A . 15 B3D N . . . . . . . . . c30244_5us3 1 . 6 . 2771 . 1 1 15 B3D O O -2.859 3.284 5.171 . . . 1.0 . . . . . . . . . . . . A . 15 B3D O . . . . . . . . . c30244_5us3 1 . 6 . 2772 . 1 1 15 B3D OE1 O 0.386 1.717 9.021 . . . 1.0 . . . . . . . . . . . . A . 15 B3D OE1 . . . . . . . . . c30244_5us3 1 . 6 . 2773 . 1 1 15 B3D OE2 O 1.795 3.400 9.153 . . . 1.0 . . . . . . . . . . . . A . 15 B3D OE2 . . . . . . . . . c30244_5us3 1 . 6 . 2774 . 1 1 16 HIS C C -2.175 3.908 2.256 . . . 1.0 . . . . . . . . . . . . A . 16 HIS C . . . . . . . . . c30244_5us3 1 . 6 . 2775 . 1 1 16 HIS CA C -2.879 5.072 2.953 . . . 1.0 . . . . . . . . . . . . A . 16 HIS CA . . . . . . . . . c30244_5us3 1 . 6 . 2776 . 1 1 16 HIS CB C -2.793 6.333 2.092 . . . 1.0 . . . . . . . . . . . . A . 16 HIS CB . . . . . . . . . c30244_5us3 1 . 6 . 2777 . 1 1 16 HIS CD2 C -4.886 7.810 1.684 . . . 1.0 . . . . . . . . . . . . A . 16 HIS CD2 . . . . . . . . . c30244_5us3 1 . 6 . 2778 . 1 1 16 HIS CE1 C -4.941 8.829 3.624 . . . 1.0 . . . . . . . . . . . . A . 16 HIS CE1 . . . . . . . . . c30244_5us3 1 . 6 . 2779 . 1 1 16 HIS CG C -3.845 7.347 2.417 . . . 1.0 . . . . . . . . . . . . A . 16 HIS CG . . . . . . . . . c30244_5us3 1 . 6 . 2780 . 1 1 16 HIS H H -1.878 6.183 4.449 . . . 1.0 . . . . . . . . . . . . A . 16 HIS H . . . . . . . . . c30244_5us3 1 . 6 . 2781 . 1 1 16 HIS HA H -3.919 4.813 3.086 . . . 1.0 . . . . . . . . . . . . A . 16 HIS HA . . . . . . . . . c30244_5us3 1 . 6 . 2782 . 1 1 16 HIS HB2 H -1.829 6.796 2.238 . . . 1.0 . . . . . . . . . . . . A . 16 HIS HB2 . . . . . . . . . c30244_5us3 1 . 6 . 2783 . 1 1 16 HIS HB3 H -2.903 6.059 1.052 . . . 1.0 . . . . . . . . . . . . A . 16 HIS HB3 . . . . . . . . . c30244_5us3 1 . 6 . 2784 . 1 1 16 HIS HD1 H -3.287 7.888 4.376 . . . 1.0 . . . . . . . . . . . . A . 16 HIS HD1 . . . . . . . . . c30244_5us3 1 . 6 . 2785 . 1 1 16 HIS HD2 H -5.145 7.510 0.679 . . . 1.0 . . . . . . . . . . . . A . 16 HIS HD2 . . . . . . . . . c30244_5us3 1 . 6 . 2786 . 1 1 16 HIS HE1 H -5.237 9.475 4.438 . . . 1.0 . . . . . . . . . . . . A . 16 HIS HE1 . . . . . . . . . c30244_5us3 1 . 6 . 2787 . 1 1 16 HIS HE2 H -6.287 9.302 2.155 . . . 1.0 . . . . . . . . . . . . A . 16 HIS HE2 . . . . . . . . . c30244_5us3 1 . 6 . 2788 . 1 1 16 HIS N N -2.310 5.320 4.280 . . . 1.0 . . . . . . . . . . . . A . 16 HIS N . . . . . . . . . c30244_5us3 1 . 6 . 2789 . 1 1 16 HIS ND1 N -3.908 8.006 3.627 . . . 1.0 . . . . . . . . . . . . A . 16 HIS ND1 . . . . . . . . . c30244_5us3 1 . 6 . 2790 . 1 1 16 HIS NE2 N -5.550 8.730 2.458 . . . 1.0 . . . . . . . . . . . . A . 16 HIS NE2 . . . . . . . . . c30244_5us3 1 . 6 . 2791 . 1 1 16 HIS O O -2.783 3.226 1.434 . . . 1.0 . . . . . . . . . . . . A . 16 HIS O . . . . . . . . . c30244_5us3 1 . 6 . 2792 . 1 1 17 LEU C C -0.382 1.298 2.762 . . . 1.0 . . . . . . . . . . . . A . 17 LEU C . . . . . . . . . c30244_5us3 1 . 6 . 2793 . 1 1 17 LEU CA C -0.105 2.605 2.023 . . . 1.0 . . . . . . . . . . . . A . 17 LEU CA . . . . . . . . . c30244_5us3 1 . 6 . 2794 . 1 1 17 LEU CB C 1.405 2.888 2.056 . . . 1.0 . . . . . . . . . . . . A . 17 LEU CB . . . . . . . . . c30244_5us3 1 . 6 . 2795 . 1 1 17 LEU CD1 C 2.195 1.303 0.212 . . . 1.0 . . . . . . . . . . . . A . 17 LEU CD1 . . . . . . . . . c30244_5us3 1 . 6 . 2796 . 1 1 17 LEU CD2 C 3.749 2.011 2.041 . . . 1.0 . . . . . . . . . . . . A . 17 LEU CD2 . . . . . . . . . c30244_5us3 1 . 6 . 2797 . 1 1 17 LEU CG C 2.319 1.694 1.686 . . . 1.0 . . . . . . . . . . . . A . 17 LEU CG . . . . . . . . . c30244_5us3 1 . 6 . 2798 . 1 1 17 LEU H H -0.432 4.343 3.153 . . . 1.0 . . . . . . . . . . . . A . 17 LEU H . . . . . . . . . c30244_5us3 1 . 6 . 2799 . 1 1 17 LEU HA H -0.421 2.488 0.997 . . . 1.0 . . . . . . . . . . . . A . 17 LEU HA . . . . . . . . . c30244_5us3 1 . 6 . 2800 . 1 1 17 LEU HB2 H 1.619 3.705 1.387 . . . 1.0 . . . . . . . . . . . . A . 17 LEU HB2 . . . . . . . . . c30244_5us3 1 . 6 . 2801 . 1 1 17 LEU HB3 H 1.658 3.199 3.057 . . . 1.0 . . . . . . . . . . . . A . 17 LEU HB3 . . . . . . . . . c30244_5us3 1 . 6 . 2802 . 1 1 17 LEU HD11 H 1.153 1.328 -0.072 . . . 1.0 . . . . . . . . . . . . A . 17 LEU HD11 . . . . . . . . . c30244_5us3 1 . 6 . 2803 . 1 1 17 LEU HD12 H 2.570 0.288 0.064 . . . 1.0 . . . . . . . . . . . . A . 17 LEU HD12 . . . . . . . . . c30244_5us3 1 . 6 . 2804 . 1 1 17 LEU HD13 H 2.758 1.993 -0.405 . . . 1.0 . . . . . . . . . . . . A . 17 LEU HD13 . . . . . . . . . c30244_5us3 1 . 6 . 2805 . 1 1 17 LEU HD21 H 4.091 2.842 1.439 . . . 1.0 . . . . . . . . . . . . A . 17 LEU HD21 . . . . . . . . . c30244_5us3 1 . 6 . 2806 . 1 1 17 LEU HD22 H 4.364 1.145 1.846 . . . 1.0 . . . . . . . . . . . . A . 17 LEU HD22 . . . . . . . . . c30244_5us3 1 . 6 . 2807 . 1 1 17 LEU HD23 H 3.808 2.271 3.087 . . . 1.0 . . . . . . . . . . . . A . 17 LEU HD23 . . . . . . . . . c30244_5us3 1 . 6 . 2808 . 1 1 17 LEU HG H 2.018 0.838 2.273 . . . 1.0 . . . . . . . . . . . . A . 17 LEU HG . . . . . . . . . c30244_5us3 1 . 6 . 2809 . 1 1 17 LEU N N -0.880 3.708 2.575 . . . 1.0 . . . . . . . . . . . . A . 17 LEU N . . . . . . . . . c30244_5us3 1 . 6 . 2810 . 1 1 17 LEU O O -0.384 0.245 2.143 . . . 1.0 . . . . . . . . . . . . A . 17 LEU O . . . . . . . . . c30244_5us3 1 . 6 . 2811 . 1 1 18 SER C C -2.131 -0.498 4.386 . . . 1.0 . . . . . . . . . . . . A . 18 SER C . . . . . . . . . c30244_5us3 1 . 6 . 2812 . 1 1 18 SER CA C -0.841 0.159 4.887 . . . 1.0 . . . . . . . . . . . . A . 18 SER CA . . . . . . . . . c30244_5us3 1 . 6 . 2813 . 1 1 18 SER CB C -0.940 0.495 6.384 . . . 1.0 . . . . . . . . . . . . A . 18 SER CB . . . . . . . . . c30244_5us3 1 . 6 . 2814 . 1 1 18 SER H H -0.433 2.221 4.544 . . . 1.0 . . . . . . . . . . . . A . 18 SER H . . . . . . . . . c30244_5us3 1 . 6 . 2815 . 1 1 18 SER HA H -0.025 -0.535 4.739 . . . 1.0 . . . . . . . . . . . . A . 18 SER HA . . . . . . . . . c30244_5us3 1 . 6 . 2816 . 1 1 18 SER HB2 H -0.022 0.963 6.706 . . . 1.0 . . . . . . . . . . . . A . 18 SER HB2 . . . . . . . . . c30244_5us3 1 . 6 . 2817 . 1 1 18 SER HB3 H -1.768 1.169 6.545 . . . 1.0 . . . . . . . . . . . . A . 18 SER HB3 . . . . . . . . . c30244_5us3 1 . 6 . 2818 . 1 1 18 SER HG H -1.516 -0.429 8.015 . . . 1.0 . . . . . . . . . . . . A . 18 SER HG . . . . . . . . . c30244_5us3 1 . 6 . 2819 . 1 1 18 SER N N -0.546 1.360 4.092 . . . 1.0 . . . . . . . . . . . . A . 18 SER N . . . . . . . . . c30244_5us3 1 . 6 . 2820 . 1 1 18 SER O O -2.119 -1.662 3.971 . . . 1.0 . . . . . . . . . . . . A . 18 SER O . . . . . . . . . c30244_5us3 1 . 6 . 2821 . 1 1 18 SER OG O -1.144 -0.674 7.163 . . . 1.0 . . . . . . . . . . . . A . 18 SER OG . . . . . . . . . c30244_5us3 1 . 6 . 2822 . 1 1 19 B3K C C -4.330 -0.038 1.361 . . . 1.0 . . . . . . . . . . . . A . 19 B3K C . . . . . . . . . c30244_5us3 1 . 6 . 2823 . 1 1 19 B3K CA C -4.934 0.492 2.639 . . . 1.0 . . . . . . . . . . . . A . 19 B3K CA . . . . . . . . . c30244_5us3 1 . 6 . 2824 . 1 1 19 B3K CB C -4.484 -0.242 3.904 . . . 1.0 . . . . . . . . . . . . A . 19 B3K CB . . . . . . . . . c30244_5us3 1 . 6 . 2825 . 1 1 19 B3K CD C -5.391 -0.847 6.235 . . . 1.0 . . . . . . . . . . . . A . 19 B3K CD . . . . . . . . . c30244_5us3 1 . 6 . 2826 . 1 1 19 B3K CE C -6.485 -0.566 7.253 . . . 1.0 . . . . . . . . . . . . A . 19 B3K CE . . . . . . . . . c30244_5us3 1 . 6 . 2827 . 1 1 19 B3K CF C -6.308 -1.406 8.506 . . . 1.0 . . . . . . . . . . . . A . 19 B3K CF . . . . . . . . . c30244_5us3 1 . 6 . 2828 . 1 1 19 B3K CG C -5.569 -0.004 4.978 . . . 1.0 . . . . . . . . . . . . A . 19 B3K CG . . . . . . . . . c30244_5us3 1 . 6 . 2829 . 1 1 19 B3K H H -3.167 1.210 4.688 . . . 1.0 . . . . . . . . . . . . A . 19 B3K H . . . . . . . . . c30244_5us3 1 . 6 . 2830 . 1 1 19 B3K HA1 H -6.008 0.417 2.552 . . . 1.0 . . . . . . . . . . . . A . 19 B3K HA1 . . . . . . . . . c30244_5us3 1 . 6 . 2831 . 1 1 19 B3K HA2 H -4.664 1.533 2.729 . . . 1.0 . . . . . . . . . . . . A . 19 B3K HA2 . . . . . . . . . c30244_5us3 1 . 6 . 2832 . 1 1 19 B3K HB H -4.313 -1.320 3.687 . . . 1.0 . . . . . . . . . . . . A . 19 B3K HB . . . . . . . . . c30244_5us3 1 . 6 . 2833 . 1 1 19 B3K HD2 H -4.432 -0.617 6.678 . . . 1.0 . . . . . . . . . . . . A . 19 B3K HD2 . . . . . . . . . c30244_5us3 1 . 6 . 2834 . 1 1 19 B3K HD3 H -5.424 -1.891 5.965 . . . 1.0 . . . . . . . . . . . . A . 19 B3K HD3 . . . . . . . . . c30244_5us3 1 . 6 . 2835 . 1 1 19 B3K HE2 H -7.443 -0.795 6.809 . . . 1.0 . . . . . . . . . . . . A . 19 B3K HE2 . . . . . . . . . c30244_5us3 1 . 6 . 2836 . 1 1 19 B3K HE3 H -6.452 0.478 7.525 . . . 1.0 . . . . . . . . . . . . A . 19 B3K HE3 . . . . . . . . . c30244_5us3 1 . 6 . 2837 . 1 1 19 B3K HF1 H -5.347 -1.179 8.945 . . . 1.0 . . . . . . . . . . . . A . 19 B3K HF1 . . . . . . . . . c30244_5us3 1 . 6 . 2838 . 1 1 19 B3K HF2 H -6.339 -2.450 8.233 . . . 1.0 . . . . . . . . . . . . A . 19 B3K HF2 . . . . . . . . . c30244_5us3 1 . 6 . 2839 . 1 1 19 B3K HG2 H -6.536 -0.234 4.557 . . . 1.0 . . . . . . . . . . . . A . 19 B3K HG2 . . . . . . . . . c30244_5us3 1 . 6 . 2840 . 1 1 19 B3K HG3 H -5.551 1.036 5.265 . . . 1.0 . . . . . . . . . . . . A . 19 B3K HG3 . . . . . . . . . c30244_5us3 1 . 6 . 2841 . 1 1 19 B3K HNZ1 H -8.307 -1.359 9.109 . . . 1.0 . . . . . . . . . . . . A . 19 B3K HNZ1 . . . . . . . . . c30244_5us3 1 . 6 . 2842 . 1 1 19 B3K HNZ2 H -7.357 -0.137 9.792 . . . 1.0 . . . . . . . . . . . . A . 19 B3K HNZ2 . . . . . . . . . c30244_5us3 1 . 6 . 2843 . 1 1 19 B3K N N -3.226 0.272 4.375 . . . 1.0 . . . . . . . . . . . . A . 19 B3K N . . . . . . . . . c30244_5us3 1 . 6 . 2844 . 1 1 19 B3K NZ N -7.373 -1.138 9.511 . . . 1.0 . . . . . . . . . . . . A . 19 B3K NZ . . . . . . . . . c30244_5us3 1 . 6 . 2845 . 1 1 19 B3K O O -4.741 -1.088 0.840 . . . 1.0 . . . . . . . . . . . . A . 19 B3K O . . . . . . . . . c30244_5us3 1 . 6 . 2846 . 1 1 20 HIS C C -2.081 -1.087 -0.449 . . . 1.0 . . . . . . . . . . . . A . 20 HIS C . . . . . . . . . c30244_5us3 1 . 6 . 2847 . 1 1 20 HIS CA C -2.602 0.357 -0.360 . . . 1.0 . . . . . . . . . . . . A . 20 HIS CA . . . . . . . . . c30244_5us3 1 . 6 . 2848 . 1 1 20 HIS CB C -1.450 1.305 -0.536 . . . 1.0 . . . . . . . . . . . . A . 20 HIS CB . . . . . . . . . c30244_5us3 1 . 6 . 2849 . 1 1 20 HIS CD2 C 0.264 0.269 -2.092 . . . 1.0 . . . . . . . . . . . . A . 20 HIS CD2 . . . . . . . . . c30244_5us3 1 . 6 . 2850 . 1 1 20 HIS CE1 C -0.408 1.098 -3.963 . . . 1.0 . . . . . . . . . . . . A . 20 HIS CE1 . . . . . . . . . c30244_5us3 1 . 6 . 2851 . 1 1 20 HIS CG C -0.767 1.080 -1.817 . . . 1.0 . . . . . . . . . . . . A . 20 HIS CG . . . . . . . . . c30244_5us3 1 . 6 . 2852 . 1 1 20 HIS H H -2.929 1.407 1.427 . . . 1.0 . . . . . . . . . . . . A . 20 HIS H . . . . . . . . . c30244_5us3 1 . 6 . 2853 . 1 1 20 HIS HA H -3.268 0.549 -1.163 . . . 1.0 . . . . . . . . . . . . A . 20 HIS HA . . . . . . . . . c30244_5us3 1 . 6 . 2854 . 1 1 20 HIS HB2 H -1.810 2.325 -0.508 . . . 1.0 . . . . . . . . . . . . A . 20 HIS HB2 . . . . . . . . . c30244_5us3 1 . 6 . 2855 . 1 1 20 HIS HB3 H -0.747 1.135 0.257 . . . 1.0 . . . . . . . . . . . . A . 20 HIS HB3 . . . . . . . . . c30244_5us3 1 . 6 . 2856 . 1 1 20 HIS HD1 H -1.917 2.248 -3.141 . . . 1.0 . . . . . . . . . . . . A . 20 HIS HD1 . . . . . . . . . c30244_5us3 1 . 6 . 2857 . 1 1 20 HIS HD2 H 0.788 -0.377 -1.376 . . . 1.0 . . . . . . . . . . . . A . 20 HIS HD2 . . . . . . . . . c30244_5us3 1 . 6 . 2858 . 1 1 20 HIS HE1 H -0.540 1.269 -5.015 . . . 1.0 . . . . . . . . . . . . A . 20 HIS HE1 . . . . . . . . . c30244_5us3 1 . 6 . 2859 . 1 1 20 HIS N N -3.285 0.665 0.889 . . . 1.0 . . . . . . . . . . . . A . 20 HIS N . . . . . . . . . c30244_5us3 1 . 6 . 2860 . 1 1 20 HIS ND1 N -1.184 1.611 -3.012 . . . 1.0 . . . . . . . . . . . . A . 20 HIS ND1 . . . . . . . . . c30244_5us3 1 . 6 . 2861 . 1 1 20 HIS NE2 N 0.488 0.289 -3.442 . . . 1.0 . . . . . . . . . . . . A . 20 HIS NE2 . . . . . . . . . c30244_5us3 1 . 6 . 2862 . 1 1 20 HIS O O -2.172 -1.731 -1.494 . . . 1.0 . . . . . . . . . . . . A . 20 HIS O . . . . . . . . . c30244_5us3 1 . 6 . 2863 . 1 1 21 ILE C C -1.845 -3.899 1.307 . . . 1.0 . . . . . . . . . . . . A . 21 ILE C . . . . . . . . . c30244_5us3 1 . 6 . 2864 . 1 1 21 ILE CA C -0.912 -2.881 0.654 . . . 1.0 . . . . . . . . . . . . A . 21 ILE CA . . . . . . . . . c30244_5us3 1 . 6 . 2865 . 1 1 21 ILE CB C 0.512 -2.877 1.272 . . . 1.0 . . . . . . . . . . . . A . 21 ILE CB . . . . . . . . . c30244_5us3 1 . 6 . 2866 . 1 1 21 ILE CD1 C 0.629 -3.882 3.621 . . . 1.0 . . . . . . . . . . . . A . 21 ILE CD1 . . . . . . . . . c30244_5us3 1 . 6 . 2867 . 1 1 21 ILE CG1 C 0.523 -2.620 2.790 . . . 1.0 . . . . . . . . . . . . A . 21 ILE CG1 . . . . . . . . . c30244_5us3 1 . 6 . 2868 . 1 1 21 ILE CG2 C 1.374 -1.877 0.567 . . . 1.0 . . . . . . . . . . . . A . 21 ILE CG2 . . . . . . . . . c30244_5us3 1 . 6 . 2869 . 1 1 21 ILE H H -1.403 -0.991 1.405 . . . 1.0 . . . . . . . . . . . . A . 21 ILE H . . . . . . . . . c30244_5us3 1 . 6 . 2870 . 1 1 21 ILE HA H -0.806 -3.169 -0.377 . . . 1.0 . . . . . . . . . . . . A . 21 ILE HA . . . . . . . . . c30244_5us3 1 . 6 . 2871 . 1 1 21 ILE HB H 0.948 -3.805 1.061 . . . 1.0 . . . . . . . . . . . . A . 21 ILE HB . . . . . . . . . c30244_5us3 1 . 6 . 2872 . 1 1 21 ILE HD11 H 1.545 -4.399 3.376 . . . 1.0 . . . . . . . . . . . . A . 21 ILE HD11 . . . . . . . . . c30244_5us3 1 . 6 . 2873 . 1 1 21 ILE HD12 H -0.215 -4.524 3.410 . . . 1.0 . . . . . . . . . . . . A . 21 ILE HD12 . . . . . . . . . c30244_5us3 1 . 6 . 2874 . 1 1 21 ILE HD13 H 0.630 -3.624 4.670 . . . 1.0 . . . . . . . . . . . . A . 21 ILE HD13 . . . . . . . . . c30244_5us3 1 . 6 . 2875 . 1 1 21 ILE HG12 H 1.366 -1.992 3.037 . . . 1.0 . . . . . . . . . . . . A . 21 ILE HG12 . . . . . . . . . c30244_5us3 1 . 6 . 2876 . 1 1 21 ILE HG13 H -0.390 -2.115 3.069 . . . 1.0 . . . . . . . . . . . . A . 21 ILE HG13 . . . . . . . . . c30244_5us3 1 . 6 . 2877 . 1 1 21 ILE HG21 H 0.894 -0.913 0.610 . . . 1.0 . . . . . . . . . . . . A . 21 ILE HG21 . . . . . . . . . c30244_5us3 1 . 6 . 2878 . 1 1 21 ILE HG22 H 1.493 -2.187 -0.462 . . . 1.0 . . . . . . . . . . . . A . 21 ILE HG22 . . . . . . . . . c30244_5us3 1 . 6 . 2879 . 1 1 21 ILE HG23 H 2.337 -1.828 1.046 . . . 1.0 . . . . . . . . . . . . A . 21 ILE HG23 . . . . . . . . . c30244_5us3 1 . 6 . 2880 . 1 1 21 ILE N N -1.484 -1.556 0.626 . . . 1.0 . . . . . . . . . . . . A . 21 ILE N . . . . . . . . . c30244_5us3 1 . 6 . 2881 . 1 1 21 ILE O O -1.605 -5.103 1.224 . . . 1.0 . . . . . . . . . . . . A . 21 ILE O . . . . . . . . . c30244_5us3 1 . 6 . 2882 . 1 1 22 B3K C C -5.379 -4.131 0.476 . . . 1.0 . . . . . . . . . . . . A . 22 B3K C . . . . . . . . . c30244_5us3 1 . 6 . 2883 . 1 1 22 B3K CA C -5.246 -3.903 1.975 . . . 1.0 . . . . . . . . . . . . A . 22 B3K CA . . . . . . . . . c30244_5us3 1 . 6 . 2884 . 1 1 22 B3K CB C -3.867 -4.235 2.576 . . . 1.0 . . . . . . . . . . . . A . 22 B3K CB . . . . . . . . . c30244_5us3 1 . 6 . 2885 . 1 1 22 B3K CD C -3.846 -5.209 4.944 . . . 1.0 . . . . . . . . . . . . A . 22 B3K CD . . . . . . . . . c30244_5us3 1 . 6 . 2886 . 1 1 22 B3K CE C -3.913 -4.881 6.426 . . . 1.0 . . . . . . . . . . . . A . 22 B3K CE . . . . . . . . . c30244_5us3 1 . 6 . 2887 . 1 1 22 B3K CF C -3.783 -6.131 7.280 . . . 1.0 . . . . . . . . . . . . A . 22 B3K CF . . . . . . . . . c30244_5us3 1 . 6 . 2888 . 1 1 22 B3K CG C -3.953 -3.957 4.090 . . . 1.0 . . . . . . . . . . . . A . 22 B3K CG . . . . . . . . . c30244_5us3 1 . 6 . 2889 . 1 1 22 B3K H H -2.914 -2.426 2.149 . . . 1.0 . . . . . . . . . . . . A . 22 B3K H . . . . . . . . . c30244_5us3 1 . 6 . 2890 . 1 1 22 B3K HA1 H -5.462 -2.862 2.169 . . . 1.0 . . . . . . . . . . . . A . 22 B3K HA1 . . . . . . . . . c30244_5us3 1 . 6 . 2891 . 1 1 22 B3K HA2 H -5.990 -4.508 2.469 . . . 1.0 . . . . . . . . . . . . A . 22 B3K HA2 . . . . . . . . . c30244_5us3 1 . 6 . 2892 . 1 1 22 B3K HB H -3.574 -5.280 2.337 . . . 1.0 . . . . . . . . . . . . A . 22 B3K HB . . . . . . . . . c30244_5us3 1 . 6 . 2893 . 1 1 22 B3K HD2 H -2.905 -5.696 4.734 . . . 1.0 . . . . . . . . . . . . A . 22 B3K HD2 . . . . . . . . . c30244_5us3 1 . 6 . 2894 . 1 1 22 B3K HD3 H -4.660 -5.873 4.695 . . . 1.0 . . . . . . . . . . . . A . 22 B3K HD3 . . . . . . . . . c30244_5us3 1 . 6 . 2895 . 1 1 22 B3K HE2 H -4.862 -4.408 6.637 . . . 1.0 . . . . . . . . . . . . A . 22 B3K HE2 . . . . . . . . . c30244_5us3 1 . 6 . 2896 . 1 1 22 B3K HE3 H -3.109 -4.203 6.671 . . . 1.0 . . . . . . . . . . . . A . 22 B3K HE3 . . . . . . . . . c30244_5us3 1 . 6 . 2897 . 1 1 22 B3K HF1 H -2.836 -6.603 7.061 . . . 1.0 . . . . . . . . . . . . A . 22 B3K HF1 . . . . . . . . . c30244_5us3 1 . 6 . 2898 . 1 1 22 B3K HF2 H -4.587 -6.807 7.032 . . . 1.0 . . . . . . . . . . . . A . 22 B3K HF2 . . . . . . . . . c30244_5us3 1 . 6 . 2899 . 1 1 22 B3K HG2 H -4.899 -3.481 4.305 . . . 1.0 . . . . . . . . . . . . A . 22 B3K HG2 . . . . . . . . . c30244_5us3 1 . 6 . 2900 . 1 1 22 B3K HG3 H -3.151 -3.288 4.367 . . . 1.0 . . . . . . . . . . . . A . 22 B3K HG3 . . . . . . . . . c30244_5us3 1 . 6 . 2901 . 1 1 22 B3K HNZ1 H -3.749 -6.693 9.292 . . . 1.0 . . . . . . . . . . . . A . 22 B3K HNZ1 . . . . . . . . . c30244_5us3 1 . 6 . 2902 . 1 1 22 B3K HNZ2 H -4.754 -5.372 8.967 . . . 1.0 . . . . . . . . . . . . A . 22 B3K HNZ2 . . . . . . . . . c30244_5us3 1 . 6 . 2903 . 1 1 22 B3K N N -2.869 -3.398 1.997 . . . 1.0 . . . . . . . . . . . . A . 22 B3K N . . . . . . . . . c30244_5us3 1 . 6 . 2904 . 1 1 22 B3K NZ N -3.844 -5.819 8.735 . . . 1.0 . . . . . . . . . . . . A . 22 B3K NZ . . . . . . . . . c30244_5us3 1 . 6 . 2905 . 1 1 22 B3K O O -6.246 -4.912 0.048 . . . 1.0 . . . . . . . . . . . . A . 22 B3K O . . . . . . . . . c30244_5us3 1 . 6 . 2906 . 1 1 23 THR C C -3.582 -4.645 -2.299 . . . 1.0 . . . . . . . . . . . . A . 23 THR C . . . . . . . . . c30244_5us3 1 . 6 . 2907 . 1 1 23 THR CA C -4.587 -3.618 -1.802 . . . 1.0 . . . . . . . . . . . . A . 23 THR CA . . . . . . . . . c30244_5us3 1 . 6 . 2908 . 1 1 23 THR CB C -4.417 -2.268 -2.557 . . . 1.0 . . . . . . . . . . . . A . 23 THR CB . . . . . . . . . c30244_5us3 1 . 6 . 2909 . 1 1 23 THR CG2 C -5.040 -2.332 -3.945 . . . 1.0 . . . . . . . . . . . . A . 23 THR CG2 . . . . . . . . . c30244_5us3 1 . 6 . 2910 . 1 1 23 THR H H -3.766 -2.945 0.053 . . . 1.0 . . . . . . . . . . . . A . 23 THR H . . . . . . . . . c30244_5us3 1 . 6 . 2911 . 1 1 23 THR HA H -5.571 -3.999 -2.020 . . . 1.0 . . . . . . . . . . . . A . 23 THR HA . . . . . . . . . c30244_5us3 1 . 6 . 2912 . 1 1 23 THR HB H -3.356 -2.047 -2.666 . . . 1.0 . . . . . . . . . . . . A . 23 THR HB . . . . . . . . . c30244_5us3 1 . 6 . 2913 . 1 1 23 THR HG1 H -4.566 -1.074 -0.993 . . . 1.0 . . . . . . . . . . . . A . 23 THR HG1 . . . . . . . . . c30244_5us3 1 . 6 . 2914 . 1 1 23 THR HG21 H -6.104 -2.492 -3.854 . . . 1.0 . . . . . . . . . . . . A . 23 THR HG21 . . . . . . . . . c30244_5us3 1 . 6 . 2915 . 1 1 23 THR HG22 H -4.598 -3.150 -4.495 . . . 1.0 . . . . . . . . . . . . A . 23 THR HG22 . . . . . . . . . c30244_5us3 1 . 6 . 2916 . 1 1 23 THR HG23 H -4.856 -1.405 -4.464 . . . 1.0 . . . . . . . . . . . . A . 23 THR HG23 . . . . . . . . . c30244_5us3 1 . 6 . 2917 . 1 1 23 THR N N -4.505 -3.481 -0.340 . . . 1.0 . . . . . . . . . . . . A . 23 THR N . . . . . . . . . c30244_5us3 1 . 6 . 2918 . 1 1 23 THR O O -3.935 -5.505 -3.112 . . . 1.0 . . . . . . . . . . . . A . 23 THR O . . . . . . . . . c30244_5us3 1 . 6 . 2919 . 1 1 23 THR OG1 O -5.039 -1.210 -1.817 . . . 1.0 . . . . . . . . . . . . A . 23 THR OG1 . . . . . . . . . c30244_5us3 1 . 6 . 2920 . 1 1 24 HIS C C -1.718 -6.912 -1.669 . . . 1.0 . . . . . . . . . . . . A . 24 HIS C . . . . . . . . . c30244_5us3 1 . 6 . 2921 . 1 1 24 HIS CA C -1.303 -5.556 -2.185 . . . 1.0 . . . . . . . . . . . . A . 24 HIS CA . . . . . . . . . c30244_5us3 1 . 6 . 2922 . 1 1 24 HIS CB C 0.064 -5.187 -1.623 . . . 1.0 . . . . . . . . . . . . A . 24 HIS CB . . . . . . . . . c30244_5us3 1 . 6 . 2923 . 1 1 24 HIS CD2 C 0.649 -2.915 -2.686 . . . 1.0 . . . . . . . . . . . . A . 24 HIS CD2 . . . . . . . . . c30244_5us3 1 . 6 . 2924 . 1 1 24 HIS CE1 C 2.276 -3.494 -3.958 . . . 1.0 . . . . . . . . . . . . A . 24 HIS CE1 . . . . . . . . . c30244_5us3 1 . 6 . 2925 . 1 1 24 HIS CG C 0.833 -4.238 -2.481 . . . 1.0 . . . . . . . . . . . . A . 24 HIS CG . . . . . . . . . c30244_5us3 1 . 6 . 2926 . 1 1 24 HIS H H -2.089 -3.807 -1.234 . . . 1.0 . . . . . . . . . . . . A . 24 HIS H . . . . . . . . . c30244_5us3 1 . 6 . 2927 . 1 1 24 HIS HA H -1.283 -5.596 -3.234 . . . 1.0 . . . . . . . . . . . . A . 24 HIS HA . . . . . . . . . c30244_5us3 1 . 6 . 2928 . 1 1 24 HIS HB2 H -0.087 -4.722 -0.660 . . . 1.0 . . . . . . . . . . . . A . 24 HIS HB2 . . . . . . . . . c30244_5us3 1 . 6 . 2929 . 1 1 24 HIS HB3 H 0.652 -6.084 -1.498 . . . 1.0 . . . . . . . . . . . . A . 24 HIS HB3 . . . . . . . . . c30244_5us3 1 . 6 . 2930 . 1 1 24 HIS HD1 H 2.320 -5.476 -3.363 . . . 1.0 . . . . . . . . . . . . A . 24 HIS HD1 . . . . . . . . . c30244_5us3 1 . 6 . 2931 . 1 1 24 HIS HD2 H 0.013 -2.251 -2.108 . . . 1.0 . . . . . . . . . . . . A . 24 HIS HD2 . . . . . . . . . c30244_5us3 1 . 6 . 2932 . 1 1 24 HIS HE1 H 3.133 -3.398 -4.615 . . . 1.0 . . . . . . . . . . . . A . 24 HIS HE1 . . . . . . . . . c30244_5us3 1 . 6 . 2933 . 1 1 24 HIS N N -2.328 -4.559 -1.819 . . . 1.0 . . . . . . . . . . . . A . 24 HIS N . . . . . . . . . c30244_5us3 1 . 6 . 2934 . 1 1 24 HIS ND1 N 1.896 -4.595 -3.303 . . . 1.0 . . . . . . . . . . . . A . 24 HIS ND1 . . . . . . . . . c30244_5us3 1 . 6 . 2935 . 1 1 24 HIS NE2 N 1.553 -2.495 -3.630 . . . 1.0 . . . . . . . . . . . . A . 24 HIS NE2 . . . . . . . . . c30244_5us3 1 . 6 . 2936 . 1 1 24 HIS O O -1.366 -7.969 -2.201 . . . 1.0 . . . . . . . . . . . . A . 24 HIS O . . . . . . . . . c30244_5us3 1 . 6 . 2937 . 1 1 25 . C C -5.600 -8.429 -0.047 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q C . . . . . . . . . c30244_5us3 1 . 6 . 2938 . 1 1 25 . CA C -4.517 -7.407 0.214 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q CA . . . . . . . . . c30244_5us3 1 . 6 . 2939 . 1 1 25 . CB C -3.098 -7.897 0.063 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q CB . . . . . . . . . c30244_5us3 1 . 6 . 2940 . 1 1 25 . CD C -1.005 -8.616 1.364 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q CD . . . . . . . . . c30244_5us3 1 . 6 . 2941 . 1 1 25 . CE C -0.140 -7.965 2.427 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q CE . . . . . . . . . c30244_5us3 1 . 6 . 2942 . 1 1 25 . CG C -2.459 -8.161 1.435 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q CG . . . . . . . . . c30244_5us3 1 . 6 . 2943 . 1 1 25 . H11 H 0.254 -6.440 1.208 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q H11 . . . . . . . . . c30244_5us3 1 . 6 . 2944 . 1 1 25 . H12 H 0.989 -6.361 2.770 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q H12 . . . . . . . . . c30244_5us3 1 . 6 . 2945 . 1 1 25 . H8 H -0.609 -8.360 0.392 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q H8 . . . . . . . . . c30244_5us3 1 . 6 . 2946 . 1 1 25 . H9 H -0.965 -9.687 1.496 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q H9 . . . . . . . . . c30244_5us3 1 . 6 . 2947 . 1 1 25 . HA H -4.650 -7.010 1.206 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q HA . . . . . . . . . c30244_5us3 1 . 6 . 2948 . 1 1 25 . HAA H -4.631 -6.597 -0.515 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q HAA . . . . . . . . . c30244_5us3 1 . 6 . 2949 . 1 1 25 . HB H -3.062 -8.777 -0.569 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q HB . . . . . . . . . c30244_5us3 1 . 6 . 2950 . 1 1 25 . HG H -3.030 -8.925 1.943 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q HG . . . . . . . . . c30244_5us3 1 . 6 . 2951 . 1 1 25 . HGA H -2.496 -7.252 2.017 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q HGA . . . . . . . . . c30244_5us3 1 . 6 . 2952 . 1 1 25 . HN H -2.640 -5.887 -0.275 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q HN . . . . . . . . . c30244_5us3 1 . 6 . 2953 . 1 1 25 . N N -2.474 -6.804 -0.616 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q N . . . . . . . . . c30244_5us3 1 . 6 . 2954 . 1 1 25 . NF2 N 0.424 -6.805 2.102 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q NF2 . . . . . . . . . c30244_5us3 1 . 6 . 2955 . 1 1 25 . O O -5.366 -9.645 -0.027 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q O . . . . . . . . . c30244_5us3 1 . 6 . 2956 . 1 1 25 . OF1 O 0.016 -8.495 3.526 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q OF1 . . . . . . . . . c30244_5us3 1 . 6 . 2957 . 1 1 26 ASN C C -8.265 -8.803 -2.070 . . . 1.0 . . . . . . . . . . . . A . 26 ASN C . . . . . . . . . c30244_5us3 1 . 6 . 2958 . 1 1 26 ASN CA C -7.981 -8.733 -0.568 . . . 1.0 . . . . . . . . . . . . A . 26 ASN CA . . . . . . . . . c30244_5us3 1 . 6 . 2959 . 1 1 26 ASN CB C -9.208 -8.191 0.175 . . . 1.0 . . . . . . . . . . . . A . 26 ASN CB . . . . . . . . . c30244_5us3 1 . 6 . 2960 . 1 1 26 ASN CG C -9.120 -8.392 1.677 . . . 1.0 . . . . . . . . . . . . A . 26 ASN CG . . . . . . . . . c30244_5us3 1 . 6 . 2961 . 1 1 26 ASN H H -6.902 -6.919 -0.276 . . . 1.0 . . . . . . . . . . . . A . 26 ASN H . . . . . . . . . c30244_5us3 1 . 6 . 2962 . 1 1 26 ASN HA H -7.770 -9.729 -0.210 . . . 1.0 . . . . . . . . . . . . A . 26 ASN HA . . . . . . . . . c30244_5us3 1 . 6 . 2963 . 1 1 26 ASN HB2 H -9.301 -7.132 -0.021 . . . 1.0 . . . . . . . . . . . . A . 26 ASN HB2 . . . . . . . . . c30244_5us3 1 . 6 . 2964 . 1 1 26 ASN HB3 H -10.092 -8.697 -0.186 . . . 1.0 . . . . . . . . . . . . A . 26 ASN HB3 . . . . . . . . . c30244_5us3 1 . 6 . 2965 . 1 1 26 ASN HD21 H -8.229 -6.627 1.886 . . . 1.0 . . . . . . . . . . . . A . 26 ASN HD21 . . . . . . . . . c30244_5us3 1 . 6 . 2966 . 1 1 26 ASN HD22 H -8.484 -7.518 3.344 . . . 1.0 . . . . . . . . . . . . A . 26 ASN HD22 . . . . . . . . . c30244_5us3 1 . 6 . 2967 . 1 1 26 ASN N N -6.805 -7.904 -0.289 . . . 1.0 . . . . . . . . . . . . A . 26 ASN N . . . . . . . . . c30244_5us3 1 . 6 . 2968 . 1 1 26 ASN ND2 N -8.554 -7.413 2.372 . . . 1.0 . . . . . . . . . . . . A . 26 ASN ND2 . . . . . . . . . c30244_5us3 1 . 6 . 2969 . 1 1 26 ASN O O -8.568 -9.878 -2.596 . . . 1.0 . . . . . . . . . . . . A . 26 ASN O . . . . . . . . . c30244_5us3 1 . 6 . 2970 . 1 1 26 ASN OD1 O -9.555 -9.415 2.203 . . . 1.0 . . . . . . . . . . . . A . 26 ASN OD1 . . . . . . . . . c30244_5us3 1 . 6 . 2971 . 1 1 27 LYS C C -7.097 -7.401 -4.953 . . . 1.0 . . . . . . . . . . . . A . 27 LYS C . . . . . . . . . c30244_5us3 1 . 6 . 2972 . 1 1 27 LYS CA C -8.407 -7.570 -4.190 . . . 1.0 . . . . . . . . . . . . A . 27 LYS CA . . . . . . . . . c30244_5us3 1 . 6 . 2973 . 1 1 27 LYS CB C -9.350 -6.406 -4.512 . . . 1.0 . . . . . . . . . . . . A . 27 LYS CB . . . . . . . . . c30244_5us3 1 . 6 . 2974 . 1 1 27 LYS CD C -11.685 -5.474 -4.465 . . . 1.0 . . . . . . . . . . . . A . 27 LYS CD . . . . . . . . . c30244_5us3 1 . 6 . 2975 . 1 1 27 LYS CE C -13.132 -5.728 -4.073 . . . 1.0 . . . . . . . . . . . . A . 27 LYS CE . . . . . . . . . c30244_5us3 1 . 6 . 2976 . 1 1 27 LYS CG C -10.799 -6.661 -4.120 . . . 1.0 . . . . . . . . . . . . A . 27 LYS CG . . . . . . . . . c30244_5us3 1 . 6 . 2977 . 1 1 27 LYS H H -7.918 -6.837 -2.263 . . . 1.0 . . . . . . . . . . . . A . 27 LYS H . . . . . . . . . c30244_5us3 1 . 6 . 2978 . 1 1 27 LYS HA H -8.872 -8.495 -4.499 . . . 1.0 . . . . . . . . . . . . A . 27 LYS HA . . . . . . . . . c30244_5us3 1 . 6 . 2979 . 1 1 27 LYS HB2 H -9.009 -5.527 -3.989 . . . 1.0 . . . . . . . . . . . . A . 27 LYS HB2 . . . . . . . . . c30244_5us3 1 . 6 . 2980 . 1 1 27 LYS HB3 H -9.317 -6.217 -5.575 . . . 1.0 . . . . . . . . . . . . A . 27 LYS HB3 . . . . . . . . . c30244_5us3 1 . 6 . 2981 . 1 1 27 LYS HD2 H -11.328 -4.604 -3.938 . . . 1.0 . . . . . . . . . . . . A . 27 LYS HD2 . . . . . . . . . c30244_5us3 1 . 6 . 2982 . 1 1 27 LYS HD3 H -11.636 -5.299 -5.531 . . . 1.0 . . . . . . . . . . . . A . 27 LYS HD3 . . . . . . . . . c30244_5us3 1 . 6 . 2983 . 1 1 27 LYS HE2 H -13.488 -6.600 -4.600 . . . 1.0 . . . . . . . . . . . . A . 27 LYS HE2 . . . . . . . . . c30244_5us3 1 . 6 . 2984 . 1 1 27 LYS HE3 H -13.177 -5.907 -3.009 . . . 1.0 . . . . . . . . . . . . A . 27 LYS HE3 . . . . . . . . . c30244_5us3 1 . 6 . 2985 . 1 1 27 LYS HG2 H -11.158 -7.531 -4.648 . . . 1.0 . . . . . . . . . . . . A . 27 LYS HG2 . . . . . . . . . c30244_5us3 1 . 6 . 2986 . 1 1 27 LYS HG3 H -10.848 -6.837 -3.055 . . . 1.0 . . . . . . . . . . . . A . 27 LYS HG3 . . . . . . . . . c30244_5us3 1 . 6 . 2987 . 1 1 27 LYS HZ1 H -13.984 -4.387 -5.431 . . . 1.0 . . . . . . . . . . . . A . 27 LYS HZ1 . . . . . . . . . c30244_5us3 1 . 6 . 2988 . 1 1 27 LYS HZ2 H -13.683 -3.719 -3.906 . . . 1.0 . . . . . . . . . . . . A . 27 LYS HZ2 . . . . . . . . . c30244_5us3 1 . 6 . 2989 . 1 1 27 LYS HZ3 H -14.989 -4.772 -4.125 . . . 1.0 . . . . . . . . . . . . A . 27 LYS HZ3 . . . . . . . . . c30244_5us3 1 . 6 . 2990 . 1 1 27 LYS N N -8.164 -7.652 -2.748 . . . 1.0 . . . . . . . . . . . . A . 27 LYS N . . . . . . . . . c30244_5us3 1 . 6 . 2991 . 1 1 27 LYS NZ N -14.009 -4.570 -4.407 . . . 1.0 . . . . . . . . . . . . A . 27 LYS NZ . . . . . . . . . c30244_5us3 1 . 6 . 2992 . 1 1 27 LYS O O -6.166 -6.754 -4.465 . . . 1.0 . . . . . . . . . . . . A . 27 LYS O . . . . . . . . . c30244_5us3 1 . 6 . 2993 . 1 1 28 LYS C C -6.170 -7.238 -8.336 . . . 1.0 . . . . . . . . . . . . A . 28 LYS C . . . . . . . . . c30244_5us3 1 . 6 . 2994 . 1 1 28 LYS CA C -5.850 -7.917 -7.003 . . . 1.0 . . . . . . . . . . . . A . 28 LYS CA . . . . . . . . . c30244_5us3 1 . 6 . 2995 . 1 1 28 LYS CB C -5.269 -9.318 -7.244 . . . 1.0 . . . . . . . . . . . . A . 28 LYS CB . . . . . . . . . c30244_5us3 1 . 6 . 2996 . 1 1 28 LYS CD C -4.012 -11.294 -6.328 . . . 1.0 . . . . . . . . . . . . A . 28 LYS CD . . . . . . . . . c30244_5us3 1 . 6 . 2997 . 1 1 28 LYS CE C -3.311 -11.885 -5.115 . . . 1.0 . . . . . . . . . . . . A . 28 LYS CE . . . . . . . . . c30244_5us3 1 . 6 . 2998 . 1 1 28 LYS CG C -4.569 -9.911 -6.029 . . . 1.0 . . . . . . . . . . . . A . 28 LYS CG . . . . . . . . . c30244_5us3 1 . 6 . 2999 . 1 1 28 LYS H H -7.821 -8.488 -6.472 . . . 1.0 . . . . . . . . . . . . A . 28 LYS H . . . . . . . . . c30244_5us3 1 . 6 . 3000 . 1 1 28 LYS HA H -5.115 -7.320 -6.483 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HA . . . . . . . . . c30244_5us3 1 . 6 . 3001 . 1 1 28 LYS HB2 H -6.071 -9.983 -7.529 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HB2 . . . . . . . . . c30244_5us3 1 . 6 . 3002 . 1 1 28 LYS HB3 H -4.556 -9.264 -8.052 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HB3 . . . . . . . . . c30244_5us3 1 . 6 . 3003 . 1 1 28 LYS HD2 H -4.825 -11.944 -6.613 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HD2 . . . . . . . . . c30244_5us3 1 . 6 . 3004 . 1 1 28 LYS HD3 H -3.306 -11.219 -7.141 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HD3 . . . . . . . . . c30244_5us3 1 . 6 . 3005 . 1 1 28 LYS HE2 H -2.502 -11.230 -4.829 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HE2 . . . . . . . . . c30244_5us3 1 . 6 . 3006 . 1 1 28 LYS HE3 H -4.020 -11.956 -4.304 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HE3 . . . . . . . . . c30244_5us3 1 . 6 . 3007 . 1 1 28 LYS HG2 H -3.756 -9.261 -5.742 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HG2 . . . . . . . . . c30244_5us3 1 . 6 . 3008 . 1 1 28 LYS HG3 H -5.278 -9.985 -5.218 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HG3 . . . . . . . . . c30244_5us3 1 . 6 . 3009 . 1 1 28 LYS HZ1 H -2.072 -13.191 -6.176 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HZ1 . . . . . . . . . c30244_5us3 1 . 6 . 3010 . 1 1 28 LYS HZ2 H -3.528 -13.887 -5.670 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HZ2 . . . . . . . . . c30244_5us3 1 . 6 . 3011 . 1 1 28 LYS HZ3 H -2.288 -13.617 -4.552 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HZ3 . . . . . . . . . c30244_5us3 1 . 6 . 3012 . 1 1 28 LYS N N -7.041 -7.990 -6.151 . . . 1.0 . . . . . . . . . . . . A . 28 LYS N . . . . . . . . . c30244_5us3 1 . 6 . 3013 . 1 1 28 LYS NZ N -2.761 -13.240 -5.398 . . . 1.0 . . . . . . . . . . . . A . 28 LYS NZ . . . . . . . . . c30244_5us3 1 . 6 . 3014 . 1 1 28 LYS O O -5.479 -6.307 -8.750 . . . 1.0 . . . . . . . . . . . . A . 28 LYS O . . . . . . . . . c30244_5us3 1 . 6 . 3015 . 1 1 29 NH2 HN1 H -7.727 -8.446 -8.621 . . . 1.0 . . . . . . . . . . . . A . 29 NH2 HN1 . . . . . . . . . c30244_5us3 1 . 6 . 3016 . 1 1 29 NH2 HN2 H -7.444 -7.284 -9.867 . . . 1.0 . . . . . . . . . . . . A . 29 NH2 HN2 . . . . . . . . . c30244_5us3 1 . 6 . 3017 . 1 1 29 NH2 N N -7.220 -7.703 -9.009 . . . 1.0 . . . . . . . . . . . . A . 29 NH2 N . . . . . . . . . c30244_5us3 1 . 6 . 3018 . 2 2 1 ZN ZN Zn 1.822 -0.770 -4.335 . . . 1.0 . . . . . . . . . . . . A . 101 ZN ZN . . . . . . . . . c30244_5us3 1 . 7 . 3019 . 1 1 1 LYS C C 8.447 3.145 4.972 . . . 1.0 . . . . . . . . . . . . A . 1 LYS C . . . . . . . . . c30244_5us3 1 . 7 . 3020 . 1 1 1 LYS CA C 9.492 2.348 5.744 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CA . . . . . . . . . c30244_5us3 1 . 7 . 3021 . 1 1 1 LYS CB C 9.983 1.173 4.890 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CB . . . . . . . . . c30244_5us3 1 . 7 . 3022 . 1 1 1 LYS CD C 11.720 -0.600 4.498 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CD . . . . . . . . . c30244_5us3 1 . 7 . 3023 . 1 1 1 LYS CE C 13.015 -1.223 4.995 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CE . . . . . . . . . c30244_5us3 1 . 7 . 3024 . 1 1 1 LYS CG C 11.272 0.542 5.393 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CG . . . . . . . . . c30244_5us3 1 . 7 . 3025 . 1 1 1 LYS H1 H 8.119 1.243 6.862 . . . 1.0 . . . . . . . . . . . . A . 1 LYS H1 . . . . . . . . . c30244_5us3 1 . 7 . 3026 . 1 1 1 LYS H2 H 8.640 2.660 7.624 . . . 1.0 . . . . . . . . . . . . A . 1 LYS H2 . . . . . . . . . c30244_5us3 1 . 7 . 3027 . 1 1 1 LYS H3 H 9.663 1.315 7.551 . . . 1.0 . . . . . . . . . . . . A . 1 LYS H3 . . . . . . . . . c30244_5us3 1 . 7 . 3028 . 1 1 1 LYS HA H 10.329 2.997 5.962 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HA . . . . . . . . . c30244_5us3 1 . 7 . 3029 . 1 1 1 LYS HB2 H 9.218 0.411 4.875 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HB2 . . . . . . . . . c30244_5us3 1 . 7 . 3030 . 1 1 1 LYS HB3 H 10.148 1.521 3.882 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HB3 . . . . . . . . . c30244_5us3 1 . 7 . 3031 . 1 1 1 LYS HD2 H 10.951 -1.358 4.484 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HD2 . . . . . . . . . c30244_5us3 1 . 7 . 3032 . 1 1 1 LYS HD3 H 11.874 -0.223 3.498 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HD3 . . . . . . . . . c30244_5us3 1 . 7 . 3033 . 1 1 1 LYS HE2 H 13.780 -0.463 5.015 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HE2 . . . . . . . . . c30244_5us3 1 . 7 . 3034 . 1 1 1 LYS HE3 H 12.857 -1.599 5.995 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HE3 . . . . . . . . . c30244_5us3 1 . 7 . 3035 . 1 1 1 LYS HG2 H 12.046 1.295 5.413 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HG2 . . . . . . . . . c30244_5us3 1 . 7 . 3036 . 1 1 1 LYS HG3 H 11.110 0.164 6.392 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HG3 . . . . . . . . . c30244_5us3 1 . 7 . 3037 . 1 1 1 LYS HZ1 H 14.349 -2.748 4.489 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HZ1 . . . . . . . . . c30244_5us3 1 . 7 . 3038 . 1 1 1 LYS HZ2 H 13.630 -1.996 3.155 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HZ2 . . . . . . . . . c30244_5us3 1 . 7 . 3039 . 1 1 1 LYS HZ3 H 12.739 -3.086 4.092 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HZ3 . . . . . . . . . c30244_5us3 1 . 7 . 3040 . 1 1 1 LYS N N 8.940 1.857 7.035 . . . 1.0 . . . . . . . . . . . . A . 1 LYS N . . . . . . . . . c30244_5us3 1 . 7 . 3041 . 1 1 1 LYS NZ N 13.465 -2.341 4.122 . . . 1.0 . . . . . . . . . . . . A . 1 LYS NZ . . . . . . . . . c30244_5us3 1 . 7 . 3042 . 1 1 1 LYS O O 7.246 2.891 5.097 . . . 1.0 . . . . . . . . . . . . A . 1 LYS O . . . . . . . . . c30244_5us3 1 . 7 . 3043 . 1 1 2 TYR C C 7.840 4.373 1.955 . . . 1.0 . . . . . . . . . . . . A . 2 TYR C . . . . . . . . . c30244_5us3 1 . 7 . 3044 . 1 1 2 TYR CA C 8.046 4.962 3.364 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CA . . . . . . . . . c30244_5us3 1 . 7 . 3045 . 1 1 2 TYR CB C 8.649 6.367 3.262 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CB . . . . . . . . . c30244_5us3 1 . 7 . 3046 . 1 1 2 TYR CD1 C 7.409 7.981 4.757 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CD1 . . . . . . . . . c30244_5us3 1 . 7 . 3047 . 1 1 2 TYR CD2 C 9.509 7.138 5.509 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CD2 . . . . . . . . . c30244_5us3 1 . 7 . 3048 . 1 1 2 TYR CE1 C 7.287 8.722 5.917 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CE1 . . . . . . . . . c30244_5us3 1 . 7 . 3049 . 1 1 2 TYR CE2 C 9.394 7.877 6.671 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CE2 . . . . . . . . . c30244_5us3 1 . 7 . 3050 . 1 1 2 TYR CG C 8.521 7.178 4.534 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CG . . . . . . . . . c30244_5us3 1 . 7 . 3051 . 1 1 2 TYR CZ C 8.282 8.667 6.870 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CZ . . . . . . . . . c30244_5us3 1 . 7 . 3052 . 1 1 2 TYR H H 9.889 4.243 4.123 . . . 1.0 . . . . . . . . . . . . A . 2 TYR H . . . . . . . . . c30244_5us3 1 . 7 . 3053 . 1 1 2 TYR HA H 7.091 5.023 3.862 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HA . . . . . . . . . c30244_5us3 1 . 7 . 3054 . 1 1 2 TYR HB2 H 9.701 6.282 3.033 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HB2 . . . . . . . . . c30244_5us3 1 . 7 . 3055 . 1 1 2 TYR HB3 H 8.158 6.909 2.469 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HB3 . . . . . . . . . c30244_5us3 1 . 7 . 3056 . 1 1 2 TYR HD1 H 6.631 8.021 4.009 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HD1 . . . . . . . . . c30244_5us3 1 . 7 . 3057 . 1 1 2 TYR HD2 H 10.380 6.520 5.349 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HD2 . . . . . . . . . c30244_5us3 1 . 7 . 3058 . 1 1 2 TYR HE1 H 6.415 9.341 6.073 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HE1 . . . . . . . . . c30244_5us3 1 . 7 . 3059 . 1 1 2 TYR HE2 H 10.173 7.834 7.417 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HE2 . . . . . . . . . c30244_5us3 1 . 7 . 3060 . 1 1 2 TYR HH H 7.275 9.307 8.379 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HH . . . . . . . . . c30244_5us3 1 . 7 . 3061 . 1 1 2 TYR N N 8.919 4.106 4.172 . . . 1.0 . . . . . . . . . . . . A . 2 TYR N . . . . . . . . . c30244_5us3 1 . 7 . 3062 . 1 1 2 TYR O O 8.724 3.657 1.473 . . . 1.0 . . . . . . . . . . . . A . 2 TYR O . . . . . . . . . c30244_5us3 1 . 7 . 3063 . 1 1 2 TYR OH O 8.163 9.404 8.026 . . . 1.0 . . . . . . . . . . . . A . 2 TYR OH . . . . . . . . . c30244_5us3 1 . 7 . 3064 . 1 1 3 . C C 6.064 2.649 -0.120 . . . 1.0 . . . . . . . . . . . . A . 3 MAA C . . . . . . . . . c30244_5us3 1 . 7 . 3065 . 1 1 3 . CA C 6.382 4.124 -0.111 . . . 1.0 . . . . . . . . . . . . A . 3 MAA CA . . . . . . . . . c30244_5us3 1 . 7 . 3066 . 1 1 3 . CB C 7.548 4.334 -1.064 . . . 1.0 . . . . . . . . . . . . A . 3 MAA CB . . . . . . . . . c30244_5us3 1 . 7 . 3067 . 1 1 3 . CM C 5.585 5.446 1.906 . . . 1.0 . . . . . . . . . . . . A . 3 MAA CM . . . . . . . . . c30244_5us3 1 . 7 . 3068 . 1 1 3 . HA H 5.523 4.636 -0.552 . . . 1.0 . . . . . . . . . . . . A . 3 MAA HA . . . . . . . . . c30244_5us3 1 . 7 . 3069 . 1 1 3 . HB1 H 7.390 3.703 -1.932 . . . 1.0 . . . . . . . . . . . . A . 3 MAA HB1 . . . . . . . . . c30244_5us3 1 . 7 . 3070 . 1 1 3 . HB2 H 8.466 4.052 -0.575 . . . 1.0 . . . . . . . . . . . . A . 3 MAA HB2 . . . . . . . . . c30244_5us3 1 . 7 . 3071 . 1 1 3 . HB3 H 7.594 5.365 -1.366 . . . 1.0 . . . . . . . . . . . . A . 3 MAA HB3 . . . . . . . . . c30244_5us3 1 . 7 . 3072 . 1 1 3 . HM1 H 4.843 5.715 1.170 . . . 1.0 . . . . . . . . . . . . A . 3 MAA HM1 . . . . . . . . . c30244_5us3 1 . 7 . 3073 . 1 1 3 . HM2 H 6.006 6.343 2.332 . . . 1.0 . . . . . . . . . . . . A . 3 MAA HM2 . . . . . . . . . c30244_5us3 1 . 7 . 3074 . 1 1 3 . HM3 H 5.118 4.862 2.686 . . . 1.0 . . . . . . . . . . . . A . 3 MAA HM3 . . . . . . . . . c30244_5us3 1 . 7 . 3075 . 1 1 3 . N N 6.661 4.642 1.265 . . . 1.0 . . . . . . . . . . . . A . 3 MAA N . . . . . . . . . c30244_5us3 1 . 7 . 3076 . 1 1 3 . O O 6.366 1.908 0.817 . . . 1.0 . . . . . . . . . . . . A . 3 MAA O . . . . . . . . . c30244_5us3 1 . 7 . 3077 . 1 1 4 CYS C C 6.237 -0.059 -1.708 . . . 1.0 . . . . . . . . . . . . A . 4 CYS C . . . . . . . . . c30244_5us3 1 . 7 . 3078 . 1 1 4 CYS CA C 5.074 0.906 -1.536 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CA . . . . . . . . . c30244_5us3 1 . 7 . 3079 . 1 1 4 CYS CB C 4.234 0.970 -2.770 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CB . . . . . . . . . c30244_5us3 1 . 7 . 3080 . 1 1 4 CYS H H 5.326 2.939 -1.931 . . . 1.0 . . . . . . . . . . . . A . 4 CYS H . . . . . . . . . c30244_5us3 1 . 7 . 3081 . 1 1 4 CYS HA H 4.468 0.526 -0.738 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HA . . . . . . . . . c30244_5us3 1 . 7 . 3082 . 1 1 4 CYS HB2 H 3.288 1.443 -2.535 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB2 . . . . . . . . . c30244_5us3 1 . 7 . 3083 . 1 1 4 CYS HB3 H 4.749 1.565 -3.501 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB3 . . . . . . . . . c30244_5us3 1 . 7 . 3084 . 1 1 4 CYS N N 5.487 2.257 -1.243 . . . 1.0 . . . . . . . . . . . . A . 4 CYS N . . . . . . . . . c30244_5us3 1 . 7 . 3085 . 1 1 4 CYS O O 7.296 0.296 -2.233 . . . 1.0 . . . . . . . . . . . . A . 4 CYS O . . . . . . . . . c30244_5us3 1 . 7 . 3086 . 1 1 4 CYS SG S 3.902 -0.623 -3.501 . . . 1.0 . . . . . . . . . . . . A . 4 CYS SG . . . . . . . . . c30244_5us3 1 . 7 . 3087 . 1 1 5 PRO C C 7.014 -3.250 -2.554 . . . 1.0 . . . . . . . . . . . . A . 5 PRO C . . . . . . . . . c30244_5us3 1 . 7 . 3088 . 1 1 5 PRO CA C 7.012 -2.381 -1.286 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CA . . . . . . . . . c30244_5us3 1 . 7 . 3089 . 1 1 5 PRO CB C 6.530 -3.191 -0.094 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CB . . . . . . . . . c30244_5us3 1 . 7 . 3090 . 1 1 5 PRO CD C 4.753 -1.772 -0.580 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CD . . . . . . . . . c30244_5us3 1 . 7 . 3091 . 1 1 5 PRO CG C 5.056 -3.194 -0.277 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CG . . . . . . . . . c30244_5us3 1 . 7 . 3092 . 1 1 5 PRO HA H 8.001 -2.014 -1.099 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HA . . . . . . . . . c30244_5us3 1 . 7 . 3093 . 1 1 5 PRO HB2 H 6.945 -4.187 -0.110 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HB2 . . . . . . . . . c30244_5us3 1 . 7 . 3094 . 1 1 5 PRO HB3 H 6.776 -2.672 0.817 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HB3 . . . . . . . . . c30244_5us3 1 . 7 . 3095 . 1 1 5 PRO HD2 H 3.905 -1.694 -1.245 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HD2 . . . . . . . . . c30244_5us3 1 . 7 . 3096 . 1 1 5 PRO HD3 H 4.576 -1.226 0.333 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HD3 . . . . . . . . . c30244_5us3 1 . 7 . 3097 . 1 1 5 PRO HG2 H 4.787 -3.820 -1.124 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HG2 . . . . . . . . . c30244_5us3 1 . 7 . 3098 . 1 1 5 PRO HG3 H 4.555 -3.503 0.622 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HG3 . . . . . . . . . c30244_5us3 1 . 7 . 3099 . 1 1 5 PRO N N 6.014 -1.305 -1.247 . . . 1.0 . . . . . . . . . . . . A . 5 PRO N . . . . . . . . . c30244_5us3 1 . 7 . 3100 . 1 1 5 PRO O O 8.020 -3.899 -2.856 . . . 1.0 . . . . . . . . . . . . A . 5 PRO O . . . . . . . . . c30244_5us3 1 . 7 . 3101 . 1 1 6 GLU C C 5.458 -3.312 -5.751 . . . 1.0 . . . . . . . . . . . . A . 6 GLU C . . . . . . . . . c30244_5us3 1 . 7 . 3102 . 1 1 6 GLU CA C 5.779 -4.109 -4.476 . . . 1.0 . . . . . . . . . . . . A . 6 GLU CA . . . . . . . . . c30244_5us3 1 . 7 . 3103 . 1 1 6 GLU CB C 4.764 -5.245 -4.208 . . . 1.0 . . . . . . . . . . . . A . 6 GLU CB . . . . . . . . . c30244_5us3 1 . 7 . 3104 . 1 1 6 GLU CD C 5.511 -7.132 -5.743 . . . 1.0 . . . . . . . . . . . . A . 6 GLU CD . . . . . . . . . c30244_5us3 1 . 7 . 3105 . 1 1 6 GLU CG C 4.424 -6.122 -5.414 . . . 1.0 . . . . . . . . . . . . A . 6 GLU CG . . . . . . . . . c30244_5us3 1 . 7 . 3106 . 1 1 6 GLU H H 5.151 -2.644 -3.033 . . . 1.0 . . . . . . . . . . . . A . 6 GLU H . . . . . . . . . c30244_5us3 1 . 7 . 3107 . 1 1 6 GLU HA H 6.742 -4.565 -4.617 . . . 1.0 . . . . . . . . . . . . A . 6 GLU HA . . . . . . . . . c30244_5us3 1 . 7 . 3108 . 1 1 6 GLU HB2 H 5.173 -5.888 -3.443 . . . 1.0 . . . . . . . . . . . . A . 6 GLU HB2 . . . . . . . . . c30244_5us3 1 . 7 . 3109 . 1 1 6 GLU HB3 H 3.850 -4.813 -3.833 . . . 1.0 . . . . . . . . . . . . A . 6 GLU HB3 . . . . . . . . . c30244_5us3 1 . 7 . 3110 . 1 1 6 GLU HG2 H 3.510 -6.658 -5.207 . . . 1.0 . . . . . . . . . . . . A . 6 GLU HG2 . . . . . . . . . c30244_5us3 1 . 7 . 3111 . 1 1 6 GLU HG3 H 4.277 -5.481 -6.271 . . . 1.0 . . . . . . . . . . . . A . 6 GLU HG3 . . . . . . . . . c30244_5us3 1 . 7 . 3112 . 1 1 6 GLU N N 5.895 -3.255 -3.284 . . . 1.0 . . . . . . . . . . . . A . 6 GLU N . . . . . . . . . c30244_5us3 1 . 7 . 3113 . 1 1 6 GLU O O 5.766 -3.773 -6.854 . . . 1.0 . . . . . . . . . . . . A . 6 GLU O . . . . . . . . . c30244_5us3 1 . 7 . 3114 . 1 1 6 GLU OE1 O 6.413 -6.794 -6.537 . . . 1.0 . . . . . . . . . . . . A . 6 GLU OE1 . . . . . . . . . c30244_5us3 1 . 7 . 3115 . 1 1 6 GLU OE2 O 5.458 -8.258 -5.204 . . . 1.0 . . . . . . . . . . . . A . 6 GLU OE2 . . . . . . . . . c30244_5us3 1 . 7 . 3116 . 1 1 7 CYS C C 4.813 0.204 -6.483 . . . 1.0 . . . . . . . . . . . . A . 7 CYS C . . . . . . . . . c30244_5us3 1 . 7 . 3117 . 1 1 7 CYS CA C 4.539 -1.285 -6.765 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CA . . . . . . . . . c30244_5us3 1 . 7 . 3118 . 1 1 7 CYS CB C 3.120 -1.486 -7.338 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CB . . . . . . . . . c30244_5us3 1 . 7 . 3119 . 1 1 7 CYS H H 4.653 -1.816 -4.693 . . . 1.0 . . . . . . . . . . . . A . 7 CYS H . . . . . . . . . c30244_5us3 1 . 7 . 3120 . 1 1 7 CYS HA H 5.226 -1.602 -7.522 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HA . . . . . . . . . c30244_5us3 1 . 7 . 3121 . 1 1 7 CYS HB2 H 3.140 -1.187 -8.371 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB2 . . . . . . . . . c30244_5us3 1 . 7 . 3122 . 1 1 7 CYS HB3 H 2.861 -2.529 -7.276 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB3 . . . . . . . . . c30244_5us3 1 . 7 . 3123 . 1 1 7 CYS N N 4.851 -2.133 -5.601 . . . 1.0 . . . . . . . . . . . . A . 7 CYS N . . . . . . . . . c30244_5us3 1 . 7 . 3124 . 1 1 7 CYS O O 4.152 0.801 -5.644 . . . 1.0 . . . . . . . . . . . . A . 7 CYS O . . . . . . . . . c30244_5us3 1 . 7 . 3125 . 1 1 7 CYS SG S 1.778 -0.534 -6.570 . . . 1.0 . . . . . . . . . . . . A . 7 CYS SG . . . . . . . . . c30244_5us3 1 . 7 . 3126 . 1 1 8 PRO C C 5.046 3.273 -7.214 . . . 1.0 . . . . . . . . . . . . A . 8 PRO C . . . . . . . . . c30244_5us3 1 . 7 . 3127 . 1 1 8 PRO CA C 6.189 2.249 -7.060 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CA . . . . . . . . . c30244_5us3 1 . 7 . 3128 . 1 1 8 PRO CB C 7.235 2.441 -8.169 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CB . . . . . . . . . c30244_5us3 1 . 7 . 3129 . 1 1 8 PRO CD C 6.584 0.159 -8.245 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CD . . . . . . . . . c30244_5us3 1 . 7 . 3130 . 1 1 8 PRO CG C 7.746 1.081 -8.461 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CG . . . . . . . . . c30244_5us3 1 . 7 . 3131 . 1 1 8 PRO HA H 6.664 2.407 -6.102 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HA . . . . . . . . . c30244_5us3 1 . 7 . 3132 . 1 1 8 PRO HB2 H 6.766 2.876 -9.044 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HB2 . . . . . . . . . c30244_5us3 1 . 7 . 3133 . 1 1 8 PRO HB3 H 8.037 3.074 -7.822 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HB3 . . . . . . . . . c30244_5us3 1 . 7 . 3134 . 1 1 8 PRO HD2 H 6.002 0.055 -9.140 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HD2 . . . . . . . . . c30244_5us3 1 . 7 . 3135 . 1 1 8 PRO HD3 H 6.921 -0.800 -7.889 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HD3 . . . . . . . . . c30244_5us3 1 . 7 . 3136 . 1 1 8 PRO HG2 H 8.090 1.028 -9.486 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HG2 . . . . . . . . . c30244_5us3 1 . 7 . 3137 . 1 1 8 PRO HG3 H 8.545 0.831 -7.781 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HG3 . . . . . . . . . c30244_5us3 1 . 7 . 3138 . 1 1 8 PRO N N 5.787 0.824 -7.214 . . . 1.0 . . . . . . . . . . . . A . 8 PRO N . . . . . . . . . c30244_5us3 1 . 7 . 3139 . 1 1 8 PRO O O 5.190 4.295 -7.897 . . . 1.0 . . . . . . . . . . . . A . 8 PRO O . . . . . . . . . c30244_5us3 1 . 7 . 3140 . 1 1 9 LYS C C 3.033 5.149 -5.733 . . . 1.0 . . . . . . . . . . . . A . 9 LYS C . . . . . . . . . c30244_5us3 1 . 7 . 3141 . 1 1 9 LYS CA C 2.761 3.875 -6.540 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CA . . . . . . . . . c30244_5us3 1 . 7 . 3142 . 1 1 9 LYS CB C 1.513 3.108 -6.075 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CB . . . . . . . . . c30244_5us3 1 . 7 . 3143 . 1 1 9 LYS CD C -0.298 4.698 -6.935 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CD . . . . . . . . . c30244_5us3 1 . 7 . 3144 . 1 1 9 LYS CE C -1.013 5.041 -8.232 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CE . . . . . . . . . c30244_5us3 1 . 7 . 3145 . 1 1 9 LYS CG C 0.289 3.286 -6.979 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CG . . . . . . . . . c30244_5us3 1 . 7 . 3146 . 1 1 9 LYS H H 3.857 2.148 -6.062 . . . 1.0 . . . . . . . . . . . . A . 9 LYS H . . . . . . . . . c30244_5us3 1 . 7 . 3147 . 1 1 9 LYS HA H 2.605 4.186 -7.499 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HA . . . . . . . . . c30244_5us3 1 . 7 . 3148 . 1 1 9 LYS HB2 H 1.753 2.055 -6.048 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB2 . . . . . . . . . c30244_5us3 1 . 7 . 3149 . 1 1 9 LYS HB3 H 1.257 3.425 -5.082 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB3 . . . . . . . . . c30244_5us3 1 . 7 . 3150 . 1 1 9 LYS HD2 H -1.009 4.760 -6.123 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD2 . . . . . . . . . c30244_5us3 1 . 7 . 3151 . 1 1 9 LYS HD3 H 0.501 5.406 -6.775 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD3 . . . . . . . . . c30244_5us3 1 . 7 . 3152 . 1 1 9 LYS HE2 H -0.309 4.969 -9.046 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE2 . . . . . . . . . c30244_5us3 1 . 7 . 3153 . 1 1 9 LYS HE3 H -1.813 4.332 -8.386 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE3 . . . . . . . . . c30244_5us3 1 . 7 . 3154 . 1 1 9 LYS HG2 H 0.577 3.067 -7.995 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG2 . . . . . . . . . c30244_5us3 1 . 7 . 3155 . 1 1 9 LYS HG3 H -0.470 2.587 -6.667 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG3 . . . . . . . . . c30244_5us3 1 . 7 . 3156 . 1 1 9 LYS HZ1 H -0.825 7.114 -8.060 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ1 . . . . . . . . . c30244_5us3 1 . 7 . 3157 . 1 1 9 LYS HZ2 H -2.272 6.504 -7.431 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ2 . . . . . . . . . c30244_5us3 1 . 7 . 3158 . 1 1 9 LYS HZ3 H -2.061 6.622 -9.106 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ3 . . . . . . . . . c30244_5us3 1 . 7 . 3159 . 1 1 9 LYS N N 3.918 2.993 -6.552 . . . 1.0 . . . . . . . . . . . . A . 9 LYS N . . . . . . . . . c30244_5us3 1 . 7 . 3160 . 1 1 9 LYS NZ N -1.583 6.416 -8.206 . . . 1.0 . . . . . . . . . . . . A . 9 LYS NZ . . . . . . . . . c30244_5us3 1 . 7 . 3161 . 1 1 9 LYS O O 2.638 6.227 -6.174 . . . 1.0 . . . . . . . . . . . . A . 9 LYS O . . . . . . . . . c30244_5us3 1 . 7 . 3162 . 1 1 10 MMO C C 3.185 7.361 -3.675 . . . 1.0 . . . . . . . . . . . . A . 10 MMO C . . . . . . . . . c30244_5us3 1 . 7 . 3163 . 1 1 10 MMO CA C 4.125 6.154 -3.679 . . . 1.0 . . . . . . . . . . . . A . 10 MMO CA . . . . . . . . . c30244_5us3 1 . 7 . 3164 . 1 1 10 MMO CB C 5.549 6.524 -4.137 . . . 1.0 . . . . . . . . . . . . A . 10 MMO CB . . . . . . . . . c30244_5us3 1 . 7 . 3165 . 1 1 10 MMO CD C 7.877 6.989 -3.331 . . . 1.0 . . . . . . . . . . . . A . 10 MMO CD . . . . . . . . . c30244_5us3 1 . 7 . 3166 . 1 1 10 MMO CG C 6.395 7.244 -3.096 . . . 1.0 . . . . . . . . . . . . A . 10 MMO CG . . . . . . . . . c30244_5us3 1 . 7 . 3167 . 1 1 10 MMO CN C 4.070 3.706 -4.040 . . . 1.0 . . . . . . . . . . . . A . 10 MMO CN . . . . . . . . . c30244_5us3 1 . 7 . 3168 . 1 1 10 MMO CZ C 9.676 7.743 -4.879 . . . 1.0 . . . . . . . . . . . . A . 10 MMO CZ . . . . . . . . . c30244_5us3 1 . 7 . 3169 . 1 1 10 MMO HA H 4.155 5.751 -2.698 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HA . . . . . . . . . c30244_5us3 1 . 7 . 3170 . 1 1 10 MMO HC1 H 3.613 2.963 -4.676 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HC1 . . . . . . . . . c30244_5us3 1 . 7 . 3171 . 1 1 10 MMO HC2 H 3.700 3.600 -3.031 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HC2 . . . . . . . . . c30244_5us3 1 . 7 . 3172 . 1 1 10 MMO HC3 H 5.141 3.580 -4.052 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HC3 . . . . . . . . . c30244_5us3 1 . 7 . 3173 . 1 1 10 MMO HCB1 H 5.481 7.151 -5.014 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HCB1 . . . . . . . . . c30244_5us3 1 . 7 . 3174 . 1 1 10 MMO HCB2 H 6.060 5.612 -4.397 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HCB2 . . . . . . . . . c30244_5us3 1 . 7 . 3175 . 1 1 10 MMO HCD1 H 8.012 5.940 -3.567 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HCD1 . . . . . . . . . c30244_5us3 1 . 7 . 3176 . 1 1 10 MMO HCD2 H 8.419 7.228 -2.430 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HCD2 . . . . . . . . . c30244_5us3 1 . 7 . 3177 . 1 1 10 MMO HCG1 H 6.125 6.886 -2.114 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HCG1 . . . . . . . . . c30244_5us3 1 . 7 . 3178 . 1 1 10 MMO HCG2 H 6.206 8.306 -3.160 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HCG2 . . . . . . . . . c30244_5us3 1 . 7 . 3179 . 1 1 10 MMO HH11 H 11.506 6.901 -4.666 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HH11 . . . . . . . . . c30244_5us3 1 . 7 . 3180 . 1 1 10 MMO HH12 H 10.298 6.335 -3.561 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HH12 . . . . . . . . . c30244_5us3 1 . 7 . 3181 . 1 1 10 MMO HH21 H 9.387 9.134 -6.317 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HH21 . . . . . . . . . c30244_5us3 1 . 7 . 3182 . 1 1 10 MMO HH22 H 10.990 8.483 -6.224 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HH22 . . . . . . . . . c30244_5us3 1 . 7 . 3183 . 1 1 10 MMO N N 3.728 5.038 -4.555 . . . 1.0 . . . . . . . . . . . . A . 10 MMO N . . . . . . . . . c30244_5us3 1 . 7 . 3184 . 1 1 10 MMO NE N 8.411 7.794 -4.438 . . . 1.0 . . . . . . . . . . . . A . 10 MMO NE . . . . . . . . . c30244_5us3 1 . 7 . 3185 . 1 1 10 MMO NH1 N 10.568 6.925 -4.322 . . . 1.0 . . . . . . . . . . . . A . 10 MMO NH1 . . . . . . . . . c30244_5us3 1 . 7 . 3186 . 1 1 10 MMO NH2 N 10.048 8.516 -5.890 . . . 1.0 . . . . . . . . . . . . A . 10 MMO NH2 . . . . . . . . . c30244_5us3 1 . 7 . 3187 . 1 1 10 MMO O O 2.900 7.960 -4.715 . . . 1.0 . . . . . . . . . . . . A . 10 MMO O . . . . . . . . . c30244_5us3 1 . 7 . 3188 . 1 1 11 PHE C C 2.241 9.849 -1.309 . . . 1.0 . . . . . . . . . . . . A . 11 PHE C . . . . . . . . . c30244_5us3 1 . 7 . 3189 . 1 1 11 PHE CA C 1.765 8.783 -2.291 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CA . . . . . . . . . c30244_5us3 1 . 7 . 3190 . 1 1 11 PHE CB C 0.451 8.095 -1.831 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CB . . . . . . . . . c30244_5us3 1 . 7 . 3191 . 1 1 11 PHE CD1 C 0.635 5.688 -1.048 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CD1 . . . . . . . . . c30244_5us3 1 . 7 . 3192 . 1 1 11 PHE CD2 C 0.441 6.113 -3.385 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CD2 . . . . . . . . . c30244_5us3 1 . 7 . 3193 . 1 1 11 PHE CE1 C 0.730 4.344 -1.311 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CE1 . . . . . . . . . c30244_5us3 1 . 7 . 3194 . 1 1 11 PHE CE2 C 0.542 4.775 -3.641 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CE2 . . . . . . . . . c30244_5us3 1 . 7 . 3195 . 1 1 11 PHE CG C 0.489 6.601 -2.085 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CG . . . . . . . . . c30244_5us3 1 . 7 . 3196 . 1 1 11 PHE CZ C 0.690 3.890 -2.624 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CZ . . . . . . . . . c30244_5us3 1 . 7 . 3197 . 1 1 11 PHE H H 3.125 7.296 -1.675 . . . 1.0 . . . . . . . . . . . . A . 11 PHE H . . . . . . . . . c30244_5us3 1 . 7 . 3198 . 1 1 11 PHE HA H 1.598 9.246 -3.251 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HA . . . . . . . . . c30244_5us3 1 . 7 . 3199 . 1 1 11 PHE HB2 H 0.311 8.258 -0.772 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HB2 . . . . . . . . . c30244_5us3 1 . 7 . 3200 . 1 1 11 PHE HB3 H -0.385 8.510 -2.375 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HB3 . . . . . . . . . c30244_5us3 1 . 7 . 3201 . 1 1 11 PHE HD1 H 0.701 6.030 -0.029 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HD1 . . . . . . . . . c30244_5us3 1 . 7 . 3202 . 1 1 11 PHE HD2 H 0.333 6.801 -4.203 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HD2 . . . . . . . . . c30244_5us3 1 . 7 . 3203 . 1 1 11 PHE HE1 H 0.833 3.656 -0.490 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HE1 . . . . . . . . . c30244_5us3 1 . 7 . 3204 . 1 1 11 PHE HE2 H 0.549 4.412 -4.660 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HE2 . . . . . . . . . c30244_5us3 1 . 7 . 3205 . 1 1 11 PHE HZ H 0.764 2.835 -2.862 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HZ . . . . . . . . . c30244_5us3 1 . 7 . 3206 . 1 1 11 PHE N N 2.757 7.734 -2.470 . . . 1.0 . . . . . . . . . . . . A . 11 PHE N . . . . . . . . . c30244_5us3 1 . 7 . 3207 . 1 1 11 PHE O O 2.674 10.925 -1.733 . . . 1.0 . . . . . . . . . . . . A . 11 PHE O . . . . . . . . . c30244_5us3 1 . 7 . 3208 . 1 1 12 NLE C C 2.566 9.856 2.432 . . . 1.0 . . . . . . . . . . . . A . 12 NLE C . . . . . . . . . c30244_5us3 1 . 7 . 3209 . 1 1 12 NLE CA C 2.585 10.497 1.042 . . . 1.0 . . . . . . . . . . . . A . 12 NLE CA . . . . . . . . . c30244_5us3 1 . 7 . 3210 . 1 1 12 NLE CB C 1.665 11.736 1.035 . . . 1.0 . . . . . . . . . . . . A . 12 NLE CB . . . . . . . . . c30244_5us3 1 . 7 . 3211 . 1 1 12 NLE CD C 2.330 13.312 2.898 . . . 1.0 . . . . . . . . . . . . A . 12 NLE CD . . . . . . . . . c30244_5us3 1 . 7 . 3212 . 1 1 12 NLE CE C 3.031 14.615 3.215 . . . 1.0 . . . . . . . . . . . . A . 12 NLE CE . . . . . . . . . c30244_5us3 1 . 7 . 3213 . 1 1 12 NLE CG C 2.354 13.052 1.397 . . . 1.0 . . . . . . . . . . . . A . 12 NLE CG . . . . . . . . . c30244_5us3 1 . 7 . 3214 . 1 1 12 NLE H H 1.825 8.672 0.268 . . . 1.0 . . . . . . . . . . . . A . 12 NLE H . . . . . . . . . c30244_5us3 1 . 7 . 3215 . 1 1 12 NLE HA H 3.593 10.808 0.817 . . . 1.0 . . . . . . . . . . . . A . 12 NLE HA . . . . . . . . . c30244_5us3 1 . 7 . 3216 . 1 1 12 NLE HB2 H 0.862 11.569 1.737 . . . 1.0 . . . . . . . . . . . . A . 12 NLE HB2 . . . . . . . . . c30244_5us3 1 . 7 . 3217 . 1 1 12 NLE HB3 H 1.244 11.838 0.044 . . . 1.0 . . . . . . . . . . . . A . 12 NLE HB3 . . . . . . . . . c30244_5us3 1 . 7 . 3218 . 1 1 12 NLE HD2 H 2.838 12.510 3.411 . . . 1.0 . . . . . . . . . . . . A . 12 NLE HD2 . . . . . . . . . c30244_5us3 1 . 7 . 3219 . 1 1 12 NLE HD3 H 1.305 13.379 3.234 . . . 1.0 . . . . . . . . . . . . A . 12 NLE HD3 . . . . . . . . . c30244_5us3 1 . 7 . 3220 . 1 1 12 NLE HE1 H 2.522 15.427 2.717 . . . 1.0 . . . . . . . . . . . . A . 12 NLE HE1 . . . . . . . . . c30244_5us3 1 . 7 . 3221 . 1 1 12 NLE HE2 H 4.054 14.566 2.870 . . . 1.0 . . . . . . . . . . . . A . 12 NLE HE2 . . . . . . . . . c30244_5us3 1 . 7 . 3222 . 1 1 12 NLE HE3 H 3.017 14.780 4.281 . . . 1.0 . . . . . . . . . . . . A . 12 NLE HE3 . . . . . . . . . c30244_5us3 1 . 7 . 3223 . 1 1 12 NLE HG2 H 1.846 13.864 0.895 . . . 1.0 . . . . . . . . . . . . A . 12 NLE HG2 . . . . . . . . . c30244_5us3 1 . 7 . 3224 . 1 1 12 NLE HG3 H 3.382 13.015 1.069 . . . 1.0 . . . . . . . . . . . . A . 12 NLE HG3 . . . . . . . . . c30244_5us3 1 . 7 . 3225 . 1 1 12 NLE N N 2.168 9.550 0.000 . . . 1.0 . . . . . . . . . . . . A . 12 NLE N . . . . . . . . . c30244_5us3 1 . 7 . 3226 . 1 1 12 NLE O O 3.114 10.431 3.378 . . . 1.0 . . . . . . . . . . . . A . 12 NLE O . . . . . . . . . c30244_5us3 1 . 7 . 3227 . 1 1 13 ARG C C 2.111 6.516 3.757 . . . 1.0 . . . . . . . . . . . . A . 13 ARG C . . . . . . . . . c30244_5us3 1 . 7 . 3228 . 1 1 13 ARG CA C 1.870 8.008 3.869 . . . 1.0 . . . . . . . . . . . . A . 13 ARG CA . . . . . . . . . c30244_5us3 1 . 7 . 3229 . 1 1 13 ARG CB C 0.511 8.279 4.528 . . . 1.0 . . . . . . . . . . . . A . 13 ARG CB . . . . . . . . . c30244_5us3 1 . 7 . 3230 . 1 1 13 ARG CD C -0.942 9.895 5.798 . . . 1.0 . . . . . . . . . . . . A . 13 ARG CD . . . . . . . . . c30244_5us3 1 . 7 . 3231 . 1 1 13 ARG CG C 0.429 9.645 5.194 . . . 1.0 . . . . . . . . . . . . A . 13 ARG CG . . . . . . . . . c30244_5us3 1 . 7 . 3232 . 1 1 13 ARG CZ C -2.003 11.525 7.352 . . . 1.0 . . . . . . . . . . . . A . 13 ARG CZ . . . . . . . . . c30244_5us3 1 . 7 . 3233 . 1 1 13 ARG H H 1.583 8.203 1.765 . . . 1.0 . . . . . . . . . . . . A . 13 ARG H . . . . . . . . . c30244_5us3 1 . 7 . 3234 . 1 1 13 ARG HA H 2.644 8.430 4.492 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HA . . . . . . . . . c30244_5us3 1 . 7 . 3235 . 1 1 13 ARG HB2 H -0.259 8.223 3.776 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HB2 . . . . . . . . . c30244_5us3 1 . 7 . 3236 . 1 1 13 ARG HB3 H 0.329 7.525 5.278 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HB3 . . . . . . . . . c30244_5us3 1 . 7 . 3237 . 1 1 13 ARG HD2 H -1.668 9.949 5.001 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HD2 . . . . . . . . . c30244_5us3 1 . 7 . 3238 . 1 1 13 ARG HD3 H -1.188 9.072 6.454 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HD3 . . . . . . . . . c30244_5us3 1 . 7 . 3239 . 1 1 13 ARG HE H -0.211 11.741 6.490 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HE . . . . . . . . . c30244_5us3 1 . 7 . 3240 . 1 1 13 ARG HG2 H 1.170 9.698 5.977 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HG2 . . . . . . . . . c30244_5us3 1 . 7 . 3241 . 1 1 13 ARG HG3 H 0.632 10.407 4.455 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HG3 . . . . . . . . . c30244_5us3 1 . 7 . 3242 . 1 1 13 ARG HH11 H -3.148 9.888 7.013 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HH11 . . . . . . . . . c30244_5us3 1 . 7 . 3243 . 1 1 13 ARG HH12 H -3.833 11.061 8.087 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HH12 . . . . . . . . . c30244_5us3 1 . 7 . 3244 . 1 1 13 ARG HH21 H -2.689 12.970 8.587 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HH21 . . . . . . . . . c30244_5us3 1 . 7 . 3245 . 1 1 13 ARG HH22 H -1.126 13.262 7.898 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HH22 . . . . . . . . . c30244_5us3 1 . 7 . 3246 . 1 1 13 ARG N N 1.954 8.664 2.564 . . . 1.0 . . . . . . . . . . . . A . 13 ARG N . . . . . . . . . c30244_5us3 1 . 7 . 3247 . 1 1 13 ARG NE N -0.986 11.145 6.565 . . . 1.0 . . . . . . . . . . . . A . 13 ARG NE . . . . . . . . . c30244_5us3 1 . 7 . 3248 . 1 1 13 ARG NH1 N -3.085 10.761 7.496 . . . 1.0 . . . . . . . . . . . . A . 13 ARG NH1 . . . . . . . . . c30244_5us3 1 . 7 . 3249 . 1 1 13 ARG NH2 N -1.933 12.680 7.998 . . . 1.0 . . . . . . . . . . . . A . 13 ARG NH2 . . . . . . . . . c30244_5us3 1 . 7 . 3250 . 1 1 13 ARG O O 1.783 5.897 2.740 . . . 1.0 . . . . . . . . . . . . A . 13 ARG O . . . . . . . . . c30244_5us3 1 . 7 . 3251 . 1 1 14 SER C C 1.837 3.730 5.486 . . . 1.0 . . . . . . . . . . . . A . 14 SER C . . . . . . . . . c30244_5us3 1 . 7 . 3252 . 1 1 14 SER CA C 2.993 4.526 4.870 . . . 1.0 . . . . . . . . . . . . A . 14 SER CA . . . . . . . . . c30244_5us3 1 . 7 . 3253 . 1 1 14 SER CB C 4.281 4.287 5.663 . . . 1.0 . . . . . . . . . . . . A . 14 SER CB . . . . . . . . . c30244_5us3 1 . 7 . 3254 . 1 1 14 SER H H 2.915 6.511 5.590 . . . 1.0 . . . . . . . . . . . . A . 14 SER H . . . . . . . . . c30244_5us3 1 . 7 . 3255 . 1 1 14 SER HA H 3.142 4.197 3.850 . . . 1.0 . . . . . . . . . . . . A . 14 SER HA . . . . . . . . . c30244_5us3 1 . 7 . 3256 . 1 1 14 SER HB2 H 5.079 4.874 5.235 . . . 1.0 . . . . . . . . . . . . A . 14 SER HB2 . . . . . . . . . c30244_5us3 1 . 7 . 3257 . 1 1 14 SER HB3 H 4.128 4.586 6.691 . . . 1.0 . . . . . . . . . . . . A . 14 SER HB3 . . . . . . . . . c30244_5us3 1 . 7 . 3258 . 1 1 14 SER HG H 5.372 2.772 6.262 . . . 1.0 . . . . . . . . . . . . A . 14 SER HG . . . . . . . . . c30244_5us3 1 . 7 . 3259 . 1 1 14 SER N N 2.689 5.951 4.819 . . . 1.0 . . . . . . . . . . . . A . 14 SER N . . . . . . . . . c30244_5us3 1 . 7 . 3260 . 1 1 14 SER O O 1.592 2.589 5.090 . . . 1.0 . . . . . . . . . . . . A . 14 SER O . . . . . . . . . c30244_5us3 1 . 7 . 3261 . 1 1 14 SER OG O 4.659 2.919 5.638 . . . 1.0 . . . . . . . . . . . . A . 14 SER OG . . . . . . . . . c30244_5us3 1 . 7 . 3262 . 1 1 15 B3D C C -1.994 4.147 5.648 . . . 1.0 . . . . . . . . . . . . A . 15 B3D C . . . . . . . . . c30244_5us3 1 . 7 . 3263 . 1 1 15 B3D CA C -1.272 4.481 6.923 . . . 1.0 . . . . . . . . . . . . A . 15 B3D CA . . . . . . . . . c30244_5us3 1 . 7 . 3264 . 1 1 15 B3D CB C 0.028 3.687 7.111 . . . 1.0 . . . . . . . . . . . . A . 15 B3D CB . . . . . . . . . c30244_5us3 1 . 7 . 3265 . 1 1 15 B3D CD C 1.469 2.713 8.979 . . . 1.0 . . . . . . . . . . . . A . 15 B3D CD . . . . . . . . . c30244_5us3 1 . 7 . 3266 . 1 1 15 B3D CG C 0.295 3.612 8.631 . . . 1.0 . . . . . . . . . . . . A . 15 B3D CG . . . . . . . . . c30244_5us3 1 . 7 . 3267 . 1 1 15 B3D H H 1.401 5.236 6.745 . . . 1.0 . . . . . . . . . . . . A . 15 B3D H . . . . . . . . . c30244_5us3 1 . 7 . 3268 . 1 1 15 B3D HA1 H -1.039 5.536 6.913 . . . 1.0 . . . . . . . . . . . . A . 15 B3D HA1 . . . . . . . . . c30244_5us3 1 . 7 . 3269 . 1 1 15 B3D HA2 H -1.936 4.276 7.750 . . . 1.0 . . . . . . . . . . . . A . 15 B3D HA2 . . . . . . . . . c30244_5us3 1 . 7 . 3270 . 1 1 15 B3D HB H -0.059 2.686 6.636 . . . 1.0 . . . . . . . . . . . . A . 15 B3D HB . . . . . . . . . c30244_5us3 1 . 7 . 3271 . 1 1 15 B3D HG2 H -0.584 3.227 9.127 . . . 1.0 . . . . . . . . . . . . A . 15 B3D HG2 . . . . . . . . . c30244_5us3 1 . 7 . 3272 . 1 1 15 B3D HG3 H 0.505 4.604 9.000 . . . 1.0 . . . . . . . . . . . . A . 15 B3D HG3 . . . . . . . . . c30244_5us3 1 . 7 . 3273 . 1 1 15 B3D N N 1.144 4.333 6.463 . . . 1.0 . . . . . . . . . . . . A . 15 B3D N . . . . . . . . . c30244_5us3 1 . 7 . 3274 . 1 1 15 B3D O O -2.523 3.030 5.478 . . . 1.0 . . . . . . . . . . . . A . 15 B3D O . . . . . . . . . c30244_5us3 1 . 7 . 3275 . 1 1 15 B3D OE1 O 1.232 1.546 9.356 . . . 1.0 . . . . . . . . . . . . A . 15 B3D OE1 . . . . . . . . . c30244_5us3 1 . 7 . 3276 . 1 1 15 B3D OE2 O 2.624 3.177 8.874 . . . 1.0 . . . . . . . . . . . . A . 15 B3D OE2 . . . . . . . . . c30244_5us3 1 . 7 . 3277 . 1 1 16 HIS C C -2.062 3.811 2.634 . . . 1.0 . . . . . . . . . . . . A . 16 HIS C . . . . . . . . . c30244_5us3 1 . 7 . 3278 . 1 1 16 HIS CA C -2.634 4.994 3.411 . . . 1.0 . . . . . . . . . . . . A . 16 HIS CA . . . . . . . . . c30244_5us3 1 . 7 . 3279 . 1 1 16 HIS CB C -2.470 6.283 2.600 . . . 1.0 . . . . . . . . . . . . A . 16 HIS CB . . . . . . . . . c30244_5us3 1 . 7 . 3280 . 1 1 16 HIS CD2 C -3.389 8.086 4.235 . . . 1.0 . . . . . . . . . . . . A . 16 HIS CD2 . . . . . . . . . c30244_5us3 1 . 7 . 3281 . 1 1 16 HIS CE1 C -4.939 8.931 2.936 . . . 1.0 . . . . . . . . . . . . A . 16 HIS CE1 . . . . . . . . . c30244_5us3 1 . 7 . 3282 . 1 1 16 HIS CG C -3.351 7.407 3.061 . . . 1.0 . . . . . . . . . . . . A . 16 HIS CG . . . . . . . . . c30244_5us3 1 . 7 . 3283 . 1 1 16 HIS H H -1.543 5.971 4.942 . . . 1.0 . . . . . . . . . . . . A . 16 HIS H . . . . . . . . . c30244_5us3 1 . 7 . 3284 . 1 1 16 HIS HA H -3.687 4.819 3.576 . . . 1.0 . . . . . . . . . . . . A . 16 HIS HA . . . . . . . . . c30244_5us3 1 . 7 . 3285 . 1 1 16 HIS HB2 H -1.446 6.615 2.669 . . . 1.0 . . . . . . . . . . . . A . 16 HIS HB2 . . . . . . . . . c30244_5us3 1 . 7 . 3286 . 1 1 16 HIS HB3 H -2.706 6.079 1.565 . . . 1.0 . . . . . . . . . . . . A . 16 HIS HB3 . . . . . . . . . c30244_5us3 1 . 7 . 3287 . 1 1 16 HIS HD1 H -4.560 7.684 1.358 . . . 1.0 . . . . . . . . . . . . A . 16 HIS HD1 . . . . . . . . . c30244_5us3 1 . 7 . 3288 . 1 1 16 HIS HD2 H -2.757 7.915 5.095 . . . 1.0 . . . . . . . . . . . . A . 16 HIS HD2 . . . . . . . . . c30244_5us3 1 . 7 . 3289 . 1 1 16 HIS HE1 H -5.750 9.541 2.565 . . . 1.0 . . . . . . . . . . . . A . 16 HIS HE1 . . . . . . . . . c30244_5us3 1 . 7 . 3290 . 1 1 16 HIS HE2 H -4.591 9.715 4.795 . . . 1.0 . . . . . . . . . . . . A . 16 HIS HE2 . . . . . . . . . c30244_5us3 1 . 7 . 3291 . 1 1 16 HIS N N -1.992 5.128 4.726 . . . 1.0 . . . . . . . . . . . . A . 16 HIS N . . . . . . . . . c30244_5us3 1 . 7 . 3292 . 1 1 16 HIS ND1 N -4.336 7.960 2.270 . . . 1.0 . . . . . . . . . . . . A . 16 HIS ND1 . . . . . . . . . c30244_5us3 1 . 7 . 3293 . 1 1 16 HIS NE2 N -4.384 9.026 4.129 . . . 1.0 . . . . . . . . . . . . A . 16 HIS NE2 . . . . . . . . . c30244_5us3 1 . 7 . 3294 . 1 1 16 HIS O O -2.799 3.120 1.933 . . . 1.0 . . . . . . . . . . . . A . 16 HIS O . . . . . . . . . c30244_5us3 1 . 7 . 3295 . 1 1 17 LEU C C -0.371 1.161 2.825 . . . 1.0 . . . . . . . . . . . . A . 17 LEU C . . . . . . . . . c30244_5us3 1 . 7 . 3296 . 1 1 17 LEU CA C -0.072 2.476 2.111 . . . 1.0 . . . . . . . . . . . . A . 17 LEU CA . . . . . . . . . c30244_5us3 1 . 7 . 3297 . 1 1 17 LEU CB C 1.451 2.661 2.045 . . . 1.0 . . . . . . . . . . . . A . 17 LEU CB . . . . . . . . . c30244_5us3 1 . 7 . 3298 . 1 1 17 LEU CD1 C 2.130 1.331 -0.007 . . . 1.0 . . . . . . . . . . . . A . 17 LEU CD1 . . . . . . . . . c30244_5us3 1 . 7 . 3299 . 1 1 17 LEU CD2 C 3.674 1.495 1.946 . . . 1.0 . . . . . . . . . . . . A . 17 LEU CD2 . . . . . . . . . c30244_5us3 1 . 7 . 3300 . 1 1 17 LEU CG C 2.231 1.443 1.507 . . . 1.0 . . . . . . . . . . . . A . 17 LEU CG . . . . . . . . . c30244_5us3 1 . 7 . 3301 . 1 1 17 LEU H H -0.199 4.235 3.248 . . . 1.0 . . . . . . . . . . . . A . 17 LEU H . . . . . . . . . c30244_5us3 1 . 7 . 3302 . 1 1 17 LEU HA H -0.463 2.417 1.106 . . . 1.0 . . . . . . . . . . . . A . 17 LEU HA . . . . . . . . . c30244_5us3 1 . 7 . 3303 . 1 1 17 LEU HB2 H 1.672 3.517 1.426 . . . 1.0 . . . . . . . . . . . . A . 17 LEU HB2 . . . . . . . . . c30244_5us3 1 . 7 . 3304 . 1 1 17 LEU HB3 H 1.799 2.863 3.043 . . . 1.0 . . . . . . . . . . . . A . 17 LEU HB3 . . . . . . . . . c30244_5us3 1 . 7 . 3305 . 1 1 17 LEU HD11 H 2.751 2.086 -0.477 . . . 1.0 . . . . . . . . . . . . A . 17 LEU HD11 . . . . . . . . . c30244_5us3 1 . 7 . 3306 . 1 1 17 LEU HD12 H 1.100 1.477 -0.300 . . . 1.0 . . . . . . . . . . . . A . 17 LEU HD12 . . . . . . . . . c30244_5us3 1 . 7 . 3307 . 1 1 17 LEU HD13 H 2.451 0.335 -0.327 . . . 1.0 . . . . . . . . . . . . A . 17 LEU HD13 . . . . . . . . . c30244_5us3 1 . 7 . 3308 . 1 1 17 LEU HD21 H 3.717 1.587 3.021 . . . 1.0 . . . . . . . . . . . . A . 17 LEU HD21 . . . . . . . . . c30244_5us3 1 . 7 . 3309 . 1 1 17 LEU HD22 H 4.158 2.345 1.486 . . . 1.0 . . . . . . . . . . . . A . 17 LEU HD22 . . . . . . . . . c30244_5us3 1 . 7 . 3310 . 1 1 17 LEU HD23 H 4.170 0.586 1.640 . . . 1.0 . . . . . . . . . . . . A . 17 LEU HD23 . . . . . . . . . c30244_5us3 1 . 7 . 3311 . 1 1 17 LEU HG H 1.796 0.547 1.925 . . . 1.0 . . . . . . . . . . . . A . 17 LEU HG . . . . . . . . . c30244_5us3 1 . 7 . 3312 . 1 1 17 LEU N N -0.737 3.598 2.755 . . . 1.0 . . . . . . . . . . . . A . 17 LEU N . . . . . . . . . c30244_5us3 1 . 7 . 3313 . 1 1 17 LEU O O -0.430 0.130 2.178 . . . 1.0 . . . . . . . . . . . . A . 17 LEU O . . . . . . . . . c30244_5us3 1 . 7 . 3314 . 1 1 18 SER C C -2.101 -0.639 4.419 . . . 1.0 . . . . . . . . . . . . A . 18 SER C . . . . . . . . . c30244_5us3 1 . 7 . 3315 . 1 1 18 SER CA C -0.802 -0.020 4.934 . . . 1.0 . . . . . . . . . . . . A . 18 SER CA . . . . . . . . . c30244_5us3 1 . 7 . 3316 . 1 1 18 SER CB C -0.905 0.288 6.432 . . . 1.0 . . . . . . . . . . . . A . 18 SER CB . . . . . . . . . c30244_5us3 1 . 7 . 3317 . 1 1 18 SER H H -0.321 2.033 4.634 . . . 1.0 . . . . . . . . . . . . A . 18 SER H . . . . . . . . . c30244_5us3 1 . 7 . 3318 . 1 1 18 SER HA H 0.000 -0.726 4.774 . . . 1.0 . . . . . . . . . . . . A . 18 SER HA . . . . . . . . . c30244_5us3 1 . 7 . 3319 . 1 1 18 SER HB2 H -1.620 1.080 6.588 . . . 1.0 . . . . . . . . . . . . A . 18 SER HB2 . . . . . . . . . c30244_5us3 1 . 7 . 3320 . 1 1 18 SER HB3 H -1.232 -0.599 6.956 . . . 1.0 . . . . . . . . . . . . A . 18 SER HB3 . . . . . . . . . c30244_5us3 1 . 7 . 3321 . 1 1 18 SER HG H 0.992 0.737 6.246 . . . 1.0 . . . . . . . . . . . . A . 18 SER HG . . . . . . . . . c30244_5us3 1 . 7 . 3322 . 1 1 18 SER N N -0.486 1.191 4.161 . . . 1.0 . . . . . . . . . . . . A . 18 SER N . . . . . . . . . c30244_5us3 1 . 7 . 3323 . 1 1 18 SER O O -2.112 -1.791 3.975 . . . 1.0 . . . . . . . . . . . . A . 18 SER O . . . . . . . . . c30244_5us3 1 . 7 . 3324 . 1 1 18 SER OG O 0.348 0.689 6.957 . . . 1.0 . . . . . . . . . . . . A . 18 SER OG . . . . . . . . . c30244_5us3 1 . 7 . 3325 . 1 1 19 B3K C C -4.319 -0.011 1.404 . . . 1.0 . . . . . . . . . . . . A . 19 B3K C . . . . . . . . . c30244_5us3 1 . 7 . 3326 . 1 1 19 B3K CA C -4.879 0.495 2.712 . . . 1.0 . . . . . . . . . . . . A . 19 B3K CA . . . . . . . . . c30244_5us3 1 . 7 . 3327 . 1 1 19 B3K CB C -4.446 -0.312 3.939 . . . 1.0 . . . . . . . . . . . . A . 19 B3K CB . . . . . . . . . c30244_5us3 1 . 7 . 3328 . 1 1 19 B3K CD C -5.352 -0.999 6.248 . . . 1.0 . . . . . . . . . . . . A . 19 B3K CD . . . . . . . . . c30244_5us3 1 . 7 . 3329 . 1 1 19 B3K CE C -6.446 -0.754 7.275 . . . 1.0 . . . . . . . . . . . . A . 19 B3K CE . . . . . . . . . c30244_5us3 1 . 7 . 3330 . 1 1 19 B3K CF C -6.286 -1.659 8.485 . . . 1.0 . . . . . . . . . . . . A . 19 B3K CF . . . . . . . . . c30244_5us3 1 . 7 . 3331 . 1 1 19 B3K CG C -5.525 -0.106 5.026 . . . 1.0 . . . . . . . . . . . . A . 19 B3K CG . . . . . . . . . c30244_5us3 1 . 7 . 3332 . 1 1 19 B3K H H -3.095 1.079 4.775 . . . 1.0 . . . . . . . . . . . . A . 19 B3K H . . . . . . . . . c30244_5us3 1 . 7 . 3333 . 1 1 19 B3K HA1 H -5.956 0.475 2.640 . . . 1.0 . . . . . . . . . . . . A . 19 B3K HA1 . . . . . . . . . c30244_5us3 1 . 7 . 3334 . 1 1 19 B3K HA2 H -4.556 1.518 2.839 . . . 1.0 . . . . . . . . . . . . A . 19 B3K HA2 . . . . . . . . . c30244_5us3 1 . 7 . 3335 . 1 1 19 B3K HB H -4.297 -1.379 3.667 . . . 1.0 . . . . . . . . . . . . A . 19 B3K HB . . . . . . . . . c30244_5us3 1 . 7 . 3336 . 1 1 19 B3K HD2 H -4.393 -0.793 6.700 . . . 1.0 . . . . . . . . . . . . A . 19 B3K HD2 . . . . . . . . . c30244_5us3 1 . 7 . 3337 . 1 1 19 B3K HD3 H -5.391 -2.032 5.935 . . . 1.0 . . . . . . . . . . . . A . 19 B3K HD3 . . . . . . . . . c30244_5us3 1 . 7 . 3338 . 1 1 19 B3K HE2 H -7.406 -0.944 6.817 . . . 1.0 . . . . . . . . . . . . A . 19 B3K HE2 . . . . . . . . . c30244_5us3 1 . 7 . 3339 . 1 1 19 B3K HE3 H -6.397 0.275 7.599 . . . 1.0 . . . . . . . . . . . . A . 19 B3K HE3 . . . . . . . . . c30244_5us3 1 . 7 . 3340 . 1 1 19 B3K HF1 H -5.326 -1.463 8.941 . . . 1.0 . . . . . . . . . . . . A . 19 B3K HF1 . . . . . . . . . c30244_5us3 1 . 7 . 3341 . 1 1 19 B3K HF2 H -6.325 -2.687 8.158 . . . 1.0 . . . . . . . . . . . . A . 19 B3K HF2 . . . . . . . . . c30244_5us3 1 . 7 . 3342 . 1 1 19 B3K HG2 H -6.496 -0.308 4.598 . . . 1.0 . . . . . . . . . . . . A . 19 B3K HG2 . . . . . . . . . c30244_5us3 1 . 7 . 3343 . 1 1 19 B3K HG3 H -5.494 0.922 5.354 . . . 1.0 . . . . . . . . . . . . A . 19 B3K HG3 . . . . . . . . . c30244_5us3 1 . 7 . 3344 . 1 1 19 B3K HNZ1 H -8.290 -1.619 9.073 . . . 1.0 . . . . . . . . . . . . A . 19 B3K HNZ1 . . . . . . . . . c30244_5us3 1 . 7 . 3345 . 1 1 19 B3K HNZ2 H -7.332 -0.447 9.827 . . . 1.0 . . . . . . . . . . . . A . 19 B3K HNZ2 . . . . . . . . . c30244_5us3 1 . 7 . 3346 . 1 1 19 B3K N N -3.176 0.154 4.428 . . . 1.0 . . . . . . . . . . . . A . 19 B3K N . . . . . . . . . c30244_5us3 1 . 7 . 3347 . 1 1 19 B3K NZ N -7.357 -1.432 9.494 . . . 1.0 . . . . . . . . . . . . A . 19 B3K NZ . . . . . . . . . c30244_5us3 1 . 7 . 3348 . 1 1 19 B3K O O -4.766 -1.037 0.867 . . . 1.0 . . . . . . . . . . . . A . 19 B3K O . . . . . . . . . c30244_5us3 1 . 7 . 3349 . 1 1 20 HIS C C -2.129 -1.058 -0.485 . . . 1.0 . . . . . . . . . . . . A . 20 HIS C . . . . . . . . . c30244_5us3 1 . 7 . 3350 . 1 1 20 HIS CA C -2.627 0.393 -0.351 . . . 1.0 . . . . . . . . . . . . A . 20 HIS CA . . . . . . . . . c30244_5us3 1 . 7 . 3351 . 1 1 20 HIS CB C -1.461 1.326 -0.539 . . . 1.0 . . . . . . . . . . . . A . 20 HIS CB . . . . . . . . . c30244_5us3 1 . 7 . 3352 . 1 1 20 HIS CD2 C 0.238 0.280 -2.109 . . . 1.0 . . . . . . . . . . . . A . 20 HIS CD2 . . . . . . . . . c30244_5us3 1 . 7 . 3353 . 1 1 20 HIS CE1 C -0.434 1.107 -3.975 . . . 1.0 . . . . . . . . . . . . A . 20 HIS CE1 . . . . . . . . . c30244_5us3 1 . 7 . 3354 . 1 1 20 HIS CG C -0.792 1.093 -1.830 . . . 1.0 . . . . . . . . . . . . A . 20 HIS CG . . . . . . . . . c30244_5us3 1 . 7 . 3355 . 1 1 20 HIS H H -2.887 1.401 1.470 . . . 1.0 . . . . . . . . . . . . A . 20 HIS H . . . . . . . . . c30244_5us3 1 . 7 . 3356 . 1 1 20 HIS HA H -3.311 0.610 -1.132 . . . 1.0 . . . . . . . . . . . . A . 20 HIS HA . . . . . . . . . c30244_5us3 1 . 7 . 3357 . 1 1 20 HIS HB2 H -1.805 2.352 -0.504 . . . 1.0 . . . . . . . . . . . . A . 20 HIS HB2 . . . . . . . . . c30244_5us3 1 . 7 . 3358 . 1 1 20 HIS HB3 H -0.752 1.146 0.247 . . . 1.0 . . . . . . . . . . . . A . 20 HIS HB3 . . . . . . . . . c30244_5us3 1 . 7 . 3359 . 1 1 20 HIS HD1 H -1.945 2.257 -3.153 . . . 1.0 . . . . . . . . . . . . A . 20 HIS HD1 . . . . . . . . . c30244_5us3 1 . 7 . 3360 . 1 1 20 HIS HD2 H 0.762 -0.365 -1.399 . . . 1.0 . . . . . . . . . . . . A . 20 HIS HD2 . . . . . . . . . c30244_5us3 1 . 7 . 3361 . 1 1 20 HIS HE1 H -0.572 1.267 -5.026 . . . 1.0 . . . . . . . . . . . . A . 20 HIS HE1 . . . . . . . . . c30244_5us3 1 . 7 . 3362 . 1 1 20 HIS N N -3.272 0.682 0.924 . . . 1.0 . . . . . . . . . . . . A . 20 HIS N . . . . . . . . . c30244_5us3 1 . 7 . 3363 . 1 1 20 HIS ND1 N -1.210 1.621 -3.024 . . . 1.0 . . . . . . . . . . . . A . 20 HIS ND1 . . . . . . . . . c30244_5us3 1 . 7 . 3364 . 1 1 20 HIS NE2 N 0.462 0.301 -3.455 . . . 1.0 . . . . . . . . . . . . A . 20 HIS NE2 . . . . . . . . . c30244_5us3 1 . 7 . 3365 . 1 1 20 HIS O O -2.232 -1.669 -1.549 . . . 1.0 . . . . . . . . . . . . A . 20 HIS O . . . . . . . . . c30244_5us3 1 . 7 . 3366 . 1 1 21 ILE C C -1.924 -3.926 1.197 . . . 1.0 . . . . . . . . . . . . A . 21 ILE C . . . . . . . . . c30244_5us3 1 . 7 . 3367 . 1 1 21 ILE CA C -0.985 -2.902 0.560 . . . 1.0 . . . . . . . . . . . . A . 21 ILE CA . . . . . . . . . c30244_5us3 1 . 7 . 3368 . 1 1 21 ILE CB C 0.451 -2.931 1.158 . . . 1.0 . . . . . . . . . . . . A . 21 ILE CB . . . . . . . . . c30244_5us3 1 . 7 . 3369 . 1 1 21 ILE CD1 C 0.579 -4.026 3.468 . . . 1.0 . . . . . . . . . . . . A . 21 ILE CD1 . . . . . . . . . c30244_5us3 1 . 7 . 3370 . 1 1 21 ILE CG1 C 0.486 -2.732 2.685 . . . 1.0 . . . . . . . . . . . . A . 21 ILE CG1 . . . . . . . . . c30244_5us3 1 . 7 . 3371 . 1 1 21 ILE CG2 C 1.311 -1.910 0.476 . . . 1.0 . . . . . . . . . . . . A . 21 ILE CG2 . . . . . . . . . c30244_5us3 1 . 7 . 3372 . 1 1 21 ILE H H -1.460 -1.034 1.377 . . . 1.0 . . . . . . . . . . . . A . 21 ILE H . . . . . . . . . c30244_5us3 1 . 7 . 3373 . 1 1 21 ILE HA H -0.897 -3.163 -0.478 . . . 1.0 . . . . . . . . . . . . A . 21 ILE HA . . . . . . . . . c30244_5us3 1 . 7 . 3374 . 1 1 21 ILE HB H 0.876 -3.855 0.907 . . . 1.0 . . . . . . . . . . . . A . 21 ILE HB . . . . . . . . . c30244_5us3 1 . 7 . 3375 . 1 1 21 ILE HD11 H 0.598 -3.806 4.524 . . . 1.0 . . . . . . . . . . . . A . 21 ILE HD11 . . . . . . . . . c30244_5us3 1 . 7 . 3376 . 1 1 21 ILE HD12 H 1.485 -4.548 3.193 . . . 1.0 . . . . . . . . . . . . A . 21 ILE HD12 . . . . . . . . . c30244_5us3 1 . 7 . 3377 . 1 1 21 ILE HD13 H -0.276 -4.645 3.242 . . . 1.0 . . . . . . . . . . . . A . 21 ILE HD13 . . . . . . . . . c30244_5us3 1 . 7 . 3378 . 1 1 21 ILE HG12 H 1.344 -2.129 2.942 . . . 1.0 . . . . . . . . . . . . A . 21 ILE HG12 . . . . . . . . . c30244_5us3 1 . 7 . 3379 . 1 1 21 ILE HG13 H -0.413 -2.220 2.996 . . . 1.0 . . . . . . . . . . . . A . 21 ILE HG13 . . . . . . . . . c30244_5us3 1 . 7 . 3380 . 1 1 21 ILE HG21 H 2.254 -1.829 0.991 . . . 1.0 . . . . . . . . . . . . A . 21 ILE HG21 . . . . . . . . . c30244_5us3 1 . 7 . 3381 . 1 1 21 ILE HG22 H 0.803 -0.962 0.489 . . . 1.0 . . . . . . . . . . . . A . 21 ILE HG22 . . . . . . . . . c30244_5us3 1 . 7 . 3382 . 1 1 21 ILE HG23 H 1.480 -2.228 -0.543 . . . 1.0 . . . . . . . . . . . . A . 21 ILE HG23 . . . . . . . . . c30244_5us3 1 . 7 . 3383 . 1 1 21 ILE N N -1.540 -1.570 0.576 . . . 1.0 . . . . . . . . . . . . A . 21 ILE N . . . . . . . . . c30244_5us3 1 . 7 . 3384 . 1 1 21 ILE O O -1.719 -5.131 1.054 . . . 1.0 . . . . . . . . . . . . A . 21 ILE O . . . . . . . . . c30244_5us3 1 . 7 . 3385 . 1 1 22 B3K C C -5.482 -4.052 0.460 . . . 1.0 . . . . . . . . . . . . A . 22 B3K C . . . . . . . . . c30244_5us3 1 . 7 . 3386 . 1 1 22 B3K CA C -5.304 -3.877 1.961 . . . 1.0 . . . . . . . . . . . . A . 22 B3K CA . . . . . . . . . c30244_5us3 1 . 7 . 3387 . 1 1 22 B3K CB C -3.920 -4.267 2.510 . . . 1.0 . . . . . . . . . . . . A . 22 B3K CB . . . . . . . . . c30244_5us3 1 . 7 . 3388 . 1 1 22 B3K CD C -3.749 -5.317 4.840 . . . 1.0 . . . . . . . . . . . . A . 22 B3K CD . . . . . . . . . c30244_5us3 1 . 7 . 3389 . 1 1 22 B3K CE C -3.778 -5.040 6.337 . . . 1.0 . . . . . . . . . . . . A . 22 B3K CE . . . . . . . . . c30244_5us3 1 . 7 . 3390 . 1 1 22 B3K CF C -3.497 -6.297 7.149 . . . 1.0 . . . . . . . . . . . . A . 22 B3K CF . . . . . . . . . c30244_5us3 1 . 7 . 3391 . 1 1 22 B3K CG C -3.959 -4.045 4.035 . . . 1.0 . . . . . . . . . . . . A . 22 B3K CG . . . . . . . . . c30244_5us3 1 . 7 . 3392 . 1 1 22 B3K H H -2.932 -2.466 2.131 . . . 1.0 . . . . . . . . . . . . A . 22 B3K H . . . . . . . . . c30244_5us3 1 . 7 . 3393 . 1 1 22 B3K HA1 H -5.485 -2.837 2.195 . . . 1.0 . . . . . . . . . . . . A . 22 B3K HA1 . . . . . . . . . c30244_5us3 1 . 7 . 3394 . 1 1 22 B3K HA2 H -6.051 -4.479 2.455 . . . 1.0 . . . . . . . . . . . . A . 22 B3K HA2 . . . . . . . . . c30244_5us3 1 . 7 . 3395 . 1 1 22 B3K HB H -3.659 -5.309 2.223 . . . 1.0 . . . . . . . . . . . . A . 22 B3K HB . . . . . . . . . c30244_5us3 1 . 7 . 3396 . 1 1 22 B3K HD2 H -2.791 -5.743 4.579 . . . 1.0 . . . . . . . . . . . . A . 22 B3K HD2 . . . . . . . . . c30244_5us3 1 . 7 . 3397 . 1 1 22 B3K HD3 H -4.534 -6.019 4.599 . . . 1.0 . . . . . . . . . . . . A . 22 B3K HD3 . . . . . . . . . c30244_5us3 1 . 7 . 3398 . 1 1 22 B3K HE2 H -4.753 -4.661 6.602 . . . 1.0 . . . . . . . . . . . . A . 22 B3K HE2 . . . . . . . . . c30244_5us3 1 . 7 . 3399 . 1 1 22 B3K HE3 H -3.026 -4.301 6.569 . . . 1.0 . . . . . . . . . . . . A . 22 B3K HE3 . . . . . . . . . c30244_5us3 1 . 7 . 3400 . 1 1 22 B3K HF1 H -3.285 -6.010 8.168 . . . 1.0 . . . . . . . . . . . . A . 22 B3K HF1 . . . . . . . . . c30244_5us3 1 . 7 . 3401 . 1 1 22 B3K HF2 H -2.636 -6.796 6.732 . . . 1.0 . . . . . . . . . . . . A . 22 B3K HF2 . . . . . . . . . c30244_5us3 1 . 7 . 3402 . 1 1 22 B3K HG2 H -4.920 -3.631 4.303 . . . 1.0 . . . . . . . . . . . . A . 22 B3K HG2 . . . . . . . . . c30244_5us3 1 . 7 . 3403 . 1 1 22 B3K HG3 H -3.186 -3.343 4.305 . . . 1.0 . . . . . . . . . . . . A . 22 B3K HG3 . . . . . . . . . c30244_5us3 1 . 7 . 3404 . 1 1 22 B3K HNZ1 H -5.493 -6.781 7.543 . . . 1.0 . . . . . . . . . . . . A . 22 B3K HNZ1 . . . . . . . . . c30244_5us3 1 . 7 . 3405 . 1 1 22 B3K HNZ2 H -4.428 -8.084 7.710 . . . 1.0 . . . . . . . . . . . . A . 22 B3K HNZ2 . . . . . . . . . c30244_5us3 1 . 7 . 3406 . 1 1 22 B3K N N -2.916 -3.431 1.938 . . . 1.0 . . . . . . . . . . . . A . 22 B3K N . . . . . . . . . c30244_5us3 1 . 7 . 3407 . 1 1 22 B3K NZ N -4.651 -7.242 7.142 . . . 1.0 . . . . . . . . . . . . A . 22 B3K NZ . . . . . . . . . c30244_5us3 1 . 7 . 3408 . 1 1 22 B3K O O -6.388 -4.787 0.032 . . . 1.0 . . . . . . . . . . . . A . 22 B3K O . . . . . . . . . c30244_5us3 1 . 7 . 3409 . 1 1 23 THR C C -3.761 -4.527 -2.371 . . . 1.0 . . . . . . . . . . . . A . 23 THR C . . . . . . . . . c30244_5us3 1 . 7 . 3410 . 1 1 23 THR CA C -4.733 -3.498 -1.820 . . . 1.0 . . . . . . . . . . . . A . 23 THR CA . . . . . . . . . c30244_5us3 1 . 7 . 3411 . 1 1 23 THR CB C -4.558 -2.131 -2.545 . . . 1.0 . . . . . . . . . . . . A . 23 THR CB . . . . . . . . . c30244_5us3 1 . 7 . 3412 . 1 1 23 THR CG2 C -5.205 -2.156 -3.923 . . . 1.0 . . . . . . . . . . . . A . 23 THR CG2 . . . . . . . . . c30244_5us3 1 . 7 . 3413 . 1 1 23 THR H H -3.850 -2.898 0.031 . . . 1.0 . . . . . . . . . . . . A . 23 THR H . . . . . . . . . c30244_5us3 1 . 7 . 3414 . 1 1 23 THR HA H -5.729 -3.856 -2.023 . . . 1.0 . . . . . . . . . . . . A . 23 THR HA . . . . . . . . . c30244_5us3 1 . 7 . 3415 . 1 1 23 THR HB H -3.498 -1.921 -2.666 . . . 1.0 . . . . . . . . . . . . A . 23 THR HB . . . . . . . . . c30244_5us3 1 . 7 . 3416 . 1 1 23 THR HG1 H -4.518 -0.755 -1.132 . . . 1.0 . . . . . . . . . . . . A . 23 THR HG1 . . . . . . . . . c30244_5us3 1 . 7 . 3417 . 1 1 23 THR HG21 H -5.011 -1.222 -4.428 . . . 1.0 . . . . . . . . . . . . A . 23 THR HG21 . . . . . . . . . c30244_5us3 1 . 7 . 3418 . 1 1 23 THR HG22 H -6.271 -2.296 -3.817 . . . 1.0 . . . . . . . . . . . . A . 23 THR HG22 . . . . . . . . . c30244_5us3 1 . 7 . 3419 . 1 1 23 THR HG23 H -4.789 -2.972 -4.497 . . . 1.0 . . . . . . . . . . . . A . 23 THR HG23 . . . . . . . . . c30244_5us3 1 . 7 . 3420 . 1 1 23 THR N N -4.610 -3.404 -0.359 . . . 1.0 . . . . . . . . . . . . A . 23 THR N . . . . . . . . . c30244_5us3 1 . 7 . 3421 . 1 1 23 THR O O -4.149 -5.350 -3.207 . . . 1.0 . . . . . . . . . . . . A . 23 THR O . . . . . . . . . c30244_5us3 1 . 7 . 3422 . 1 1 23 THR OG1 O -5.155 -1.084 -1.769 . . . 1.0 . . . . . . . . . . . . A . 23 THR OG1 . . . . . . . . . c30244_5us3 1 . 7 . 3423 . 1 1 24 HIS C C -1.955 -6.856 -1.874 . . . 1.0 . . . . . . . . . . . . A . 24 HIS C . . . . . . . . . c30244_5us3 1 . 7 . 3424 . 1 1 24 HIS CA C -1.503 -5.492 -2.337 . . . 1.0 . . . . . . . . . . . . A . 24 HIS CA . . . . . . . . . c30244_5us3 1 . 7 . 3425 . 1 1 24 HIS CB C -0.118 -5.185 -1.786 . . . 1.0 . . . . . . . . . . . . A . 24 HIS CB . . . . . . . . . c30244_5us3 1 . 7 . 3426 . 1 1 24 HIS CD2 C 0.604 -2.908 -2.745 . . . 1.0 . . . . . . . . . . . . A . 24 HIS CD2 . . . . . . . . . c30244_5us3 1 . 7 . 3427 . 1 1 24 HIS CE1 C 2.041 -3.545 -4.200 . . . 1.0 . . . . . . . . . . . . A . 24 HIS CE1 . . . . . . . . . c30244_5us3 1 . 7 . 3428 . 1 1 24 HIS CG C 0.668 -4.253 -2.645 . . . 1.0 . . . . . . . . . . . . A . 24 HIS CG . . . . . . . . . c30244_5us3 1 . 7 . 3429 . 1 1 24 HIS H H -2.223 -3.754 -1.316 . . . 1.0 . . . . . . . . . . . . A . 24 HIS H . . . . . . . . . c30244_5us3 1 . 7 . 3430 . 1 1 24 HIS HA H -1.497 -5.486 -3.387 . . . 1.0 . . . . . . . . . . . . A . 24 HIS HA . . . . . . . . . c30244_5us3 1 . 7 . 3431 . 1 1 24 HIS HB2 H -0.237 -4.731 -0.814 . . . 1.0 . . . . . . . . . . . . A . 24 HIS HB2 . . . . . . . . . c30244_5us3 1 . 7 . 3432 . 1 1 24 HIS HB3 H 0.437 -6.105 -1.685 . . . 1.0 . . . . . . . . . . . . A . 24 HIS HB3 . . . . . . . . . c30244_5us3 1 . 7 . 3433 . 1 1 24 HIS HD1 H 1.939 -5.560 -3.736 . . . 1.0 . . . . . . . . . . . . A . 24 HIS HD1 . . . . . . . . . c30244_5us3 1 . 7 . 3434 . 1 1 24 HIS HD2 H 0.080 -2.228 -2.079 . . . 1.0 . . . . . . . . . . . . A . 24 HIS HD2 . . . . . . . . . c30244_5us3 1 . 7 . 3435 . 1 1 24 HIS HE1 H 2.834 -3.491 -4.930 . . . 1.0 . . . . . . . . . . . . A . 24 HIS HE1 . . . . . . . . . c30244_5us3 1 . 7 . 3436 . 1 1 24 HIS N N -2.494 -4.484 -1.916 . . . 1.0 . . . . . . . . . . . . A . 24 HIS N . . . . . . . . . c30244_5us3 1 . 7 . 3437 . 1 1 24 HIS ND1 N 1.610 -4.651 -3.585 . . . 1.0 . . . . . . . . . . . . A . 24 HIS ND1 . . . . . . . . . c30244_5us3 1 . 7 . 3438 . 1 1 24 HIS NE2 N 1.459 -2.507 -3.740 . . . 1.0 . . . . . . . . . . . . A . 24 HIS NE2 . . . . . . . . . c30244_5us3 1 . 7 . 3439 . 1 1 24 HIS O O -1.654 -7.898 -2.462 . . . 1.0 . . . . . . . . . . . . A . 24 HIS O . . . . . . . . . c30244_5us3 1 . 7 . 3440 . 1 1 25 . C C -5.867 -8.307 -0.276 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q C . . . . . . . . . c30244_5us3 1 . 7 . 3441 . 1 1 25 . CA C -4.744 -7.336 0.015 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q CA . . . . . . . . . c30244_5us3 1 . 7 . 3442 . 1 1 25 . CB C -3.345 -7.871 -0.167 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q CB . . . . . . . . . c30244_5us3 1 . 7 . 3443 . 1 1 25 . CD C -1.328 -8.843 1.090 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q CD . . . . . . . . . c30244_5us3 1 . 7 . 3444 . 1 1 25 . CE C -0.251 -7.917 1.621 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q CE . . . . . . . . . c30244_5us3 1 . 7 . 3445 . 1 1 25 . CG C -2.723 -8.233 1.188 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q CG . . . . . . . . . c30244_5us3 1 . 7 . 3446 . 1 1 25 . H11 H -0.024 -7.103 -0.179 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q H11 . . . . . . . . . c30244_5us3 1 . 7 . 3447 . 1 1 25 . H12 H 0.991 -6.467 1.065 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q H12 . . . . . . . . . c30244_5us3 1 . 7 . 3448 . 1 1 25 . H8 H -1.117 -9.058 0.052 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q H8 . . . . . . . . . c30244_5us3 1 . 7 . 3449 . 1 1 25 . H9 H -1.303 -9.760 1.658 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q H9 . . . . . . . . . c30244_5us3 1 . 7 . 3450 . 1 1 25 . HA H -4.853 -6.974 1.023 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q HA . . . . . . . . . c30244_5us3 1 . 7 . 3451 . 1 1 25 . HAA H -4.834 -6.495 -0.679 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q HAA . . . . . . . . . c30244_5us3 1 . 7 . 3452 . 1 1 25 . HB H -3.346 -8.720 -0.841 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q HB . . . . . . . . . c30244_5us3 1 . 7 . 3453 . 1 1 25 . HG H -3.370 -8.941 1.687 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q HG . . . . . . . . . c30244_5us3 1 . 7 . 3454 . 1 1 25 . HGA H -2.656 -7.339 1.789 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q HGA . . . . . . . . . c30244_5us3 1 . 7 . 3455 . 1 1 25 . HN H -2.797 -5.866 -0.404 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q HN . . . . . . . . . c30244_5us3 1 . 7 . 3456 . 1 1 25 . N N -2.683 -6.771 -0.798 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q N . . . . . . . . . c30244_5us3 1 . 7 . 3457 . 1 1 25 . NF2 N 0.295 -7.078 0.747 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q NF2 . . . . . . . . . c30244_5us3 1 . 7 . 3458 . 1 1 25 . O O -5.669 -9.525 -0.367 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q O . . . . . . . . . c30244_5us3 1 . 7 . 3459 . 1 1 25 . OF1 O 0.087 -7.954 2.804 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q OF1 . . . . . . . . . c30244_5us3 1 . 7 . 3460 . 1 1 26 ASN C C -9.106 -7.817 -1.793 . . . 1.0 . . . . . . . . . . . . A . 26 ASN C . . . . . . . . . c30244_5us3 1 . 7 . 3461 . 1 1 26 ASN CA C -8.282 -8.500 -0.704 . . . 1.0 . . . . . . . . . . . . A . 26 ASN CA . . . . . . . . . c30244_5us3 1 . 7 . 3462 . 1 1 26 ASN CB C -9.131 -8.667 0.562 . . . 1.0 . . . . . . . . . . . . A . 26 ASN CB . . . . . . . . . c30244_5us3 1 . 7 . 3463 . 1 1 26 ASN CG C -8.493 -9.600 1.574 . . . 1.0 . . . . . . . . . . . . A . 26 ASN CG . . . . . . . . . c30244_5us3 1 . 7 . 3464 . 1 1 26 ASN H H -7.133 -6.751 -0.320 . . . 1.0 . . . . . . . . . . . . A . 26 ASN H . . . . . . . . . c30244_5us3 1 . 7 . 3465 . 1 1 26 ASN HA H -7.980 -9.475 -1.057 . . . 1.0 . . . . . . . . . . . . A . 26 ASN HA . . . . . . . . . c30244_5us3 1 . 7 . 3466 . 1 1 26 ASN HB2 H -9.266 -7.702 1.026 . . . 1.0 . . . . . . . . . . . . A . 26 ASN HB2 . . . . . . . . . c30244_5us3 1 . 7 . 3467 . 1 1 26 ASN HB3 H -10.097 -9.067 0.288 . . . 1.0 . . . . . . . . . . . . A . 26 ASN HB3 . . . . . . . . . c30244_5us3 1 . 7 . 3468 . 1 1 26 ASN HD21 H -9.422 -11.158 0.759 . . . 1.0 . . . . . . . . . . . . A . 26 ASN HD21 . . . . . . . . . c30244_5us3 1 . 7 . 3469 . 1 1 26 ASN HD22 H -8.409 -11.512 2.113 . . . 1.0 . . . . . . . . . . . . A . 26 ASN HD22 . . . . . . . . . c30244_5us3 1 . 7 . 3470 . 1 1 26 ASN N N -7.068 -7.732 -0.416 . . . 1.0 . . . . . . . . . . . . A . 26 ASN N . . . . . . . . . c30244_5us3 1 . 7 . 3471 . 1 1 26 ASN ND2 N -8.806 -10.886 1.472 . . . 1.0 . . . . . . . . . . . . A . 26 ASN ND2 . . . . . . . . . c30244_5us3 1 . 7 . 3472 . 1 1 26 ASN O O -9.384 -6.618 -1.708 . . . 1.0 . . . . . . . . . . . . A . 26 ASN O . . . . . . . . . c30244_5us3 1 . 7 . 3473 . 1 1 26 ASN OD1 O -7.729 -9.170 2.438 . . . 1.0 . . . . . . . . . . . . A . 26 ASN OD1 . . . . . . . . . c30244_5us3 1 . 7 . 3474 . 1 1 27 LYS C C -11.685 -8.676 -3.917 . . . 1.0 . . . . . . . . . . . . A . 27 LYS C . . . . . . . . . c30244_5us3 1 . 7 . 3475 . 1 1 27 LYS CA C -10.280 -8.081 -3.930 . . . 1.0 . . . . . . . . . . . . A . 27 LYS CA . . . . . . . . . c30244_5us3 1 . 7 . 3476 . 1 1 27 LYS CB C -9.596 -8.392 -5.266 . . . 1.0 . . . . . . . . . . . . A . 27 LYS CB . . . . . . . . . c30244_5us3 1 . 7 . 3477 . 1 1 27 LYS CD C -7.750 -7.867 -6.890 . . . 1.0 . . . . . . . . . . . . A . 27 LYS CD . . . . . . . . . c30244_5us3 1 . 7 . 3478 . 1 1 27 LYS CE C -6.531 -7.002 -7.173 . . . 1.0 . . . . . . . . . . . . A . 27 LYS CE . . . . . . . . . c30244_5us3 1 . 7 . 3479 . 1 1 27 LYS CG C -8.371 -7.533 -5.544 . . . 1.0 . . . . . . . . . . . . A . 27 LYS CG . . . . . . . . . c30244_5us3 1 . 7 . 3480 . 1 1 27 LYS H H -9.224 -9.539 -2.811 . . . 1.0 . . . . . . . . . . . . A . 27 LYS H . . . . . . . . . c30244_5us3 1 . 7 . 3481 . 1 1 27 LYS HA H -10.356 -7.009 -3.816 . . . 1.0 . . . . . . . . . . . . A . 27 LYS HA . . . . . . . . . c30244_5us3 1 . 7 . 3482 . 1 1 27 LYS HB2 H -9.289 -9.427 -5.266 . . . 1.0 . . . . . . . . . . . . A . 27 LYS HB2 . . . . . . . . . c30244_5us3 1 . 7 . 3483 . 1 1 27 LYS HB3 H -10.306 -8.236 -6.065 . . . 1.0 . . . . . . . . . . . . A . 27 LYS HB3 . . . . . . . . . c30244_5us3 1 . 7 . 3484 . 1 1 27 LYS HD2 H -7.449 -8.905 -6.890 . . . 1.0 . . . . . . . . . . . . A . 27 LYS HD2 . . . . . . . . . c30244_5us3 1 . 7 . 3485 . 1 1 27 LYS HD3 H -8.484 -7.705 -7.666 . . . 1.0 . . . . . . . . . . . . A . 27 LYS HD3 . . . . . . . . . c30244_5us3 1 . 7 . 3486 . 1 1 27 LYS HE2 H -6.833 -5.966 -7.167 . . . 1.0 . . . . . . . . . . . . A . 27 LYS HE2 . . . . . . . . . c30244_5us3 1 . 7 . 3487 . 1 1 27 LYS HE3 H -5.800 -7.169 -6.396 . . . 1.0 . . . . . . . . . . . . A . 27 LYS HE3 . . . . . . . . . c30244_5us3 1 . 7 . 3488 . 1 1 27 LYS HG2 H -8.665 -6.493 -5.544 . . . 1.0 . . . . . . . . . . . . A . 27 LYS HG2 . . . . . . . . . c30244_5us3 1 . 7 . 3489 . 1 1 27 LYS HG3 H -7.640 -7.702 -4.768 . . . 1.0 . . . . . . . . . . . . A . 27 LYS HG3 . . . . . . . . . c30244_5us3 1 . 7 . 3490 . 1 1 27 LYS HZ1 H -5.089 -6.715 -8.656 . . . 1.0 . . . . . . . . . . . . A . 27 LYS HZ1 . . . . . . . . . c30244_5us3 1 . 7 . 3491 . 1 1 27 LYS HZ2 H -6.607 -7.157 -9.255 . . . 1.0 . . . . . . . . . . . . A . 27 LYS HZ2 . . . . . . . . . c30244_5us3 1 . 7 . 3492 . 1 1 27 LYS HZ3 H -5.620 -8.315 -8.518 . . . 1.0 . . . . . . . . . . . . A . 27 LYS HZ3 . . . . . . . . . c30244_5us3 1 . 7 . 3493 . 1 1 27 LYS N N -9.485 -8.594 -2.812 . . . 1.0 . . . . . . . . . . . . A . 27 LYS N . . . . . . . . . c30244_5us3 1 . 7 . 3494 . 1 1 27 LYS NZ N -5.920 -7.320 -8.493 . . . 1.0 . . . . . . . . . . . . A . 27 LYS NZ . . . . . . . . . c30244_5us3 1 . 7 . 3495 . 1 1 27 LYS O O -11.861 -9.861 -3.621 . . . 1.0 . . . . . . . . . . . . A . 27 LYS O . . . . . . . . . c30244_5us3 1 . 7 . 3496 . 1 1 28 LYS C C -14.528 -8.543 -5.702 . . . 1.0 . . . . . . . . . . . . A . 28 LYS C . . . . . . . . . c30244_5us3 1 . 7 . 3497 . 1 1 28 LYS CA C -14.077 -8.259 -4.269 . . . 1.0 . . . . . . . . . . . . A . 28 LYS CA . . . . . . . . . c30244_5us3 1 . 7 . 3498 . 1 1 28 LYS CB C -14.977 -7.192 -3.630 . . . 1.0 . . . . . . . . . . . . A . 28 LYS CB . . . . . . . . . c30244_5us3 1 . 7 . 3499 . 1 1 28 LYS CD C -15.764 -6.035 -1.542 . . . 1.0 . . . . . . . . . . . . A . 28 LYS CD . . . . . . . . . c30244_5us3 1 . 7 . 3500 . 1 1 28 LYS CE C -15.646 -5.955 -0.028 . . . 1.0 . . . . . . . . . . . . A . 28 LYS CE . . . . . . . . . c30244_5us3 1 . 7 . 3501 . 1 1 28 LYS CG C -14.857 -7.112 -2.115 . . . 1.0 . . . . . . . . . . . . A . 28 LYS CG . . . . . . . . . c30244_5us3 1 . 7 . 3502 . 1 1 28 LYS H H -12.455 -6.909 -4.461 . . . 1.0 . . . . . . . . . . . . A . 28 LYS H . . . . . . . . . c30244_5us3 1 . 7 . 3503 . 1 1 28 LYS HA H -14.158 -9.172 -3.697 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HA . . . . . . . . . c30244_5us3 1 . 7 . 3504 . 1 1 28 LYS HB2 H -14.717 -6.227 -4.041 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HB2 . . . . . . . . . c30244_5us3 1 . 7 . 3505 . 1 1 28 LYS HB3 H -16.005 -7.412 -3.878 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HB3 . . . . . . . . . c30244_5us3 1 . 7 . 3506 . 1 1 28 LYS HD2 H -15.487 -5.082 -1.966 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HD2 . . . . . . . . . c30244_5us3 1 . 7 . 3507 . 1 1 28 LYS HD3 H -16.787 -6.264 -1.803 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HD3 . . . . . . . . . c30244_5us3 1 . 7 . 3508 . 1 1 28 LYS HE2 H -15.922 -6.910 0.393 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HE2 . . . . . . . . . c30244_5us3 1 . 7 . 3509 . 1 1 28 LYS HE3 H -14.621 -5.732 0.228 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HE3 . . . . . . . . . c30244_5us3 1 . 7 . 3510 . 1 1 28 LYS HG2 H -15.135 -8.065 -1.691 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HG2 . . . . . . . . . c30244_5us3 1 . 7 . 3511 . 1 1 28 LYS HG3 H -13.834 -6.884 -1.857 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HG3 . . . . . . . . . c30244_5us3 1 . 7 . 3512 . 1 1 28 LYS HZ1 H -16.428 -4.872 1.578 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HZ1 . . . . . . . . . c30244_5us3 1 . 7 . 3513 . 1 1 28 LYS HZ2 H -17.523 -5.102 0.309 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HZ2 . . . . . . . . . c30244_5us3 1 . 7 . 3514 . 1 1 28 LYS HZ3 H -16.274 -3.971 0.154 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HZ3 . . . . . . . . . c30244_5us3 1 . 7 . 3515 . 1 1 28 LYS N N -12.675 -7.837 -4.238 . . . 1.0 . . . . . . . . . . . . A . 28 LYS N . . . . . . . . . c30244_5us3 1 . 7 . 3516 . 1 1 28 LYS NZ N -16.529 -4.901 0.543 . . . 1.0 . . . . . . . . . . . . A . 28 LYS NZ . . . . . . . . . c30244_5us3 1 . 7 . 3517 . 1 1 28 LYS O O -14.562 -7.648 -6.550 . . . 1.0 . . . . . . . . . . . . A . 28 LYS O . . . . . . . . . c30244_5us3 1 . 7 . 3518 . 1 1 29 NH2 HN1 H -14.813 -10.458 -5.250 . . . 1.0 . . . . . . . . . . . . A . 29 NH2 HN1 . . . . . . . . . c30244_5us3 1 . 7 . 3519 . 1 1 29 NH2 HN2 H -15.149 -10.015 -6.885 . . . 1.0 . . . . . . . . . . . . A . 29 NH2 HN2 . . . . . . . . . c30244_5us3 1 . 7 . 3520 . 1 1 29 NH2 N N -14.865 -9.798 -5.973 . . . 1.0 . . . . . . . . . . . . A . 29 NH2 N . . . . . . . . . c30244_5us3 1 . 7 . 3521 . 2 2 1 ZN ZN Zn 1.823 -0.752 -4.325 . . . 1.0 . . . . . . . . . . . . A . 101 ZN ZN . . . . . . . . . c30244_5us3 1 . 8 . 3522 . 1 1 1 LYS C C 7.510 3.435 4.702 . . . 1.0 . . . . . . . . . . . . A . 1 LYS C . . . . . . . . . c30244_5us3 1 . 8 . 3523 . 1 1 1 LYS CA C 8.320 2.581 5.673 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CA . . . . . . . . . c30244_5us3 1 . 8 . 3524 . 1 1 1 LYS CB C 8.891 1.362 4.939 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CB . . . . . . . . . c30244_5us3 1 . 8 . 3525 . 1 1 1 LYS CD C 10.557 -0.521 4.906 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CD . . . . . . . . . c30244_5us3 1 . 8 . 3526 . 1 1 1 LYS CE C 11.684 -1.215 5.655 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CE . . . . . . . . . c30244_5us3 1 . 8 . 3527 . 1 1 1 LYS CG C 10.009 0.657 5.695 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CG . . . . . . . . . c30244_5us3 1 . 8 . 3528 . 1 1 1 LYS H1 H 6.676 1.586 6.488 . . . 1.0 . . . . . . . . . . . . A . 1 LYS H1 . . . . . . . . . c30244_5us3 1 . 8 . 3529 . 1 1 1 LYS H2 H 7.125 2.978 7.338 . . . 1.0 . . . . . . . . . . . . A . 1 LYS H2 . . . . . . . . . c30244_5us3 1 . 8 . 3530 . 1 1 1 LYS H3 H 8.048 1.567 7.478 . . . 1.0 . . . . . . . . . . . . A . 1 LYS H3 . . . . . . . . . c30244_5us3 1 . 8 . 3531 . 1 1 1 LYS HA H 9.137 3.176 6.056 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HA . . . . . . . . . c30244_5us3 1 . 8 . 3532 . 1 1 1 LYS HB2 H 8.095 0.651 4.773 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HB2 . . . . . . . . . c30244_5us3 1 . 8 . 3533 . 1 1 1 LYS HB3 H 9.279 1.682 3.984 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HB3 . . . . . . . . . c30244_5us3 1 . 8 . 3534 . 1 1 1 LYS HD2 H 9.761 -1.230 4.736 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HD2 . . . . . . . . . c30244_5us3 1 . 8 . 3535 . 1 1 1 LYS HD3 H 10.933 -0.164 3.958 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HD3 . . . . . . . . . c30244_5us3 1 . 8 . 3536 . 1 1 1 LYS HE2 H 12.473 -0.502 5.833 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HE2 . . . . . . . . . c30244_5us3 1 . 8 . 3537 . 1 1 1 LYS HE3 H 11.302 -1.574 6.600 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HE3 . . . . . . . . . c30244_5us3 1 . 8 . 3538 . 1 1 1 LYS HG2 H 10.808 1.361 5.874 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HG2 . . . . . . . . . c30244_5us3 1 . 8 . 3539 . 1 1 1 LYS HG3 H 9.622 0.300 6.637 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HG3 . . . . . . . . . c30244_5us3 1 . 8 . 3540 . 1 1 1 LYS HZ1 H 12.611 -2.038 3.973 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HZ1 . . . . . . . . . c30244_5us3 1 . 8 . 3541 . 1 1 1 LYS HZ2 H 11.490 -3.068 4.709 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HZ2 . . . . . . . . . c30244_5us3 1 . 8 . 3542 . 1 1 1 LYS HZ3 H 13.003 -2.818 5.423 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HZ3 . . . . . . . . . c30244_5us3 1 . 8 . 3543 . 1 1 1 LYS N N 7.484 2.147 6.824 . . . 1.0 . . . . . . . . . . . . A . 1 LYS N . . . . . . . . . c30244_5us3 1 . 8 . 3544 . 1 1 1 LYS NZ N 12.235 -2.366 4.886 . . . 1.0 . . . . . . . . . . . . A . 1 LYS NZ . . . . . . . . . c30244_5us3 1 . 8 . 3545 . 1 1 1 LYS O O 6.293 3.270 4.587 . . . 1.0 . . . . . . . . . . . . A . 1 LYS O . . . . . . . . . c30244_5us3 1 . 8 . 3546 . 1 1 2 TYR C C 7.536 4.604 1.628 . . . 1.0 . . . . . . . . . . . . A . 2 TYR C . . . . . . . . . c30244_5us3 1 . 8 . 3547 . 1 1 2 TYR CA C 7.575 5.243 3.032 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CA . . . . . . . . . c30244_5us3 1 . 8 . 3548 . 1 1 2 TYR CB C 8.330 6.577 2.988 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CB . . . . . . . . . c30244_5us3 1 . 8 . 3549 . 1 1 2 TYR CD1 C 9.001 7.471 5.254 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CD1 . . . . . . . . . c30244_5us3 1 . 8 . 3550 . 1 1 2 TYR CD2 C 6.960 8.252 4.298 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CD2 . . . . . . . . . c30244_5us3 1 . 8 . 3551 . 1 1 2 TYR CE1 C 8.788 8.266 6.365 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CE1 . . . . . . . . . c30244_5us3 1 . 8 . 3552 . 1 1 2 TYR CE2 C 6.740 9.048 5.406 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CE2 . . . . . . . . . c30244_5us3 1 . 8 . 3553 . 1 1 2 TYR CG C 8.093 7.451 4.202 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CG . . . . . . . . . c30244_5us3 1 . 8 . 3554 . 1 1 2 TYR CZ C 7.656 9.051 6.436 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CZ . . . . . . . . . c30244_5us3 1 . 8 . 3555 . 1 1 2 TYR H H 9.172 4.408 4.148 . . . 1.0 . . . . . . . . . . . . A . 2 TYR H . . . . . . . . . c30244_5us3 1 . 8 . 3556 . 1 1 2 TYR HA H 6.562 5.422 3.362 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HA . . . . . . . . . c30244_5us3 1 . 8 . 3557 . 1 1 2 TYR HB2 H 9.390 6.378 2.928 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HB2 . . . . . . . . . c30244_5us3 1 . 8 . 3558 . 1 1 2 TYR HB3 H 8.026 7.131 2.113 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HB3 . . . . . . . . . c30244_5us3 1 . 8 . 3559 . 1 1 2 TYR HD1 H 9.885 6.855 5.196 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HD1 . . . . . . . . . c30244_5us3 1 . 8 . 3560 . 1 1 2 TYR HD2 H 6.244 8.247 3.490 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HD2 . . . . . . . . . c30244_5us3 1 . 8 . 3561 . 1 1 2 TYR HE1 H 9.506 8.268 7.172 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HE1 . . . . . . . . . c30244_5us3 1 . 8 . 3562 . 1 1 2 TYR HE2 H 5.854 9.662 5.461 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HE2 . . . . . . . . . c30244_5us3 1 . 8 . 3563 . 1 1 2 TYR HH H 6.529 9.754 7.825 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HH . . . . . . . . . c30244_5us3 1 . 8 . 3564 . 1 1 2 TYR N N 8.205 4.343 4.004 . . . 1.0 . . . . . . . . . . . . A . 2 TYR N . . . . . . . . . c30244_5us3 1 . 8 . 3565 . 1 1 2 TYR O O 8.411 3.789 1.320 . . . 1.0 . . . . . . . . . . . . A . 2 TYR O . . . . . . . . . c30244_5us3 1 . 8 . 3566 . 1 1 2 TYR OH O 7.441 9.843 7.541 . . . 1.0 . . . . . . . . . . . . A . 2 TYR OH . . . . . . . . . c30244_5us3 1 . 8 . 3567 . 1 1 3 . C C 5.981 2.921 -0.586 . . . 1.0 . . . . . . . . . . . . A . 3 MAA C . . . . . . . . . c30244_5us3 1 . 8 . 3568 . 1 1 3 . CA C 6.394 4.374 -0.630 . . . 1.0 . . . . . . . . . . . . A . 3 MAA CA . . . . . . . . . c30244_5us3 1 . 8 . 3569 . 1 1 3 . CB C 7.704 4.450 -1.399 . . . 1.0 . . . . . . . . . . . . A . 3 MAA CB . . . . . . . . . c30244_5us3 1 . 8 . 3570 . 1 1 3 . CM C 5.443 5.878 1.182 . . . 1.0 . . . . . . . . . . . . A . 3 MAA CM . . . . . . . . . c30244_5us3 1 . 8 . 3571 . 1 1 3 . HA H 5.634 4.910 -1.233 . . . 1.0 . . . . . . . . . . . . A . 3 MAA HA . . . . . . . . . c30244_5us3 1 . 8 . 3572 . 1 1 3 . HB1 H 7.788 5.409 -1.883 . . . 1.0 . . . . . . . . . . . . A . 3 MAA HB1 . . . . . . . . . c30244_5us3 1 . 8 . 3573 . 1 1 3 . HB2 H 7.708 3.657 -2.138 . . . 1.0 . . . . . . . . . . . . A . 3 MAA HB2 . . . . . . . . . c30244_5us3 1 . 8 . 3574 . 1 1 3 . HB3 H 8.527 4.308 -0.716 . . . 1.0 . . . . . . . . . . . . A . 3 MAA HB3 . . . . . . . . . c30244_5us3 1 . 8 . 3575 . 1 1 3 . HM1 H 4.799 5.383 1.893 . . . 1.0 . . . . . . . . . . . . A . 3 MAA HM1 . . . . . . . . . c30244_5us3 1 . 8 . 3576 . 1 1 3 . HM2 H 4.859 6.184 0.326 . . . 1.0 . . . . . . . . . . . . A . 3 MAA HM2 . . . . . . . . . c30244_5us3 1 . 8 . 3577 . 1 1 3 . HM3 H 5.883 6.747 1.643 . . . 1.0 . . . . . . . . . . . . A . 3 MAA HM3 . . . . . . . . . c30244_5us3 1 . 8 . 3578 . 1 1 3 . N N 6.510 4.945 0.750 . . . 1.0 . . . . . . . . . . . . A . 3 MAA N . . . . . . . . . c30244_5us3 1 . 8 . 3579 . 1 1 3 . O O 6.073 2.247 0.444 . . . 1.0 . . . . . . . . . . . . A . 3 MAA O . . . . . . . . . c30244_5us3 1 . 8 . 3580 . 1 1 4 CYS C C 6.199 0.130 -2.122 . . . 1.0 . . . . . . . . . . . . A . 4 CYS C . . . . . . . . . c30244_5us3 1 . 8 . 3581 . 1 1 4 CYS CA C 5.067 1.127 -1.961 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CA . . . . . . . . . c30244_5us3 1 . 8 . 3582 . 1 1 4 CYS CB C 4.182 1.161 -3.162 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CB . . . . . . . . . c30244_5us3 1 . 8 . 3583 . 1 1 4 CYS H H 5.506 3.094 -2.495 . . . 1.0 . . . . . . . . . . . . A . 4 CYS H . . . . . . . . . c30244_5us3 1 . 8 . 3584 . 1 1 4 CYS HA H 4.482 0.785 -1.126 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HA . . . . . . . . . c30244_5us3 1 . 8 . 3585 . 1 1 4 CYS HB2 H 3.208 1.531 -2.870 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB2 . . . . . . . . . c30244_5us3 1 . 8 . 3586 . 1 1 4 CYS HB3 H 4.608 1.819 -3.900 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB3 . . . . . . . . . c30244_5us3 1 . 8 . 3587 . 1 1 4 CYS N N 5.529 2.472 -1.739 . . . 1.0 . . . . . . . . . . . . A . 4 CYS N . . . . . . . . . c30244_5us3 1 . 8 . 3588 . 1 1 4 CYS O O 7.252 0.436 -2.689 . . . 1.0 . . . . . . . . . . . . A . 4 CYS O . . . . . . . . . c30244_5us3 1 . 8 . 3589 . 1 1 4 CYS SG S 3.955 -0.433 -3.906 . . . 1.0 . . . . . . . . . . . . A . 4 CYS SG . . . . . . . . . c30244_5us3 1 . 8 . 3590 . 1 1 5 PRO C C 6.946 -3.078 -2.851 . . . 1.0 . . . . . . . . . . . . A . 5 PRO C . . . . . . . . . c30244_5us3 1 . 8 . 3591 . 1 1 5 PRO CA C 6.933 -2.181 -1.606 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CA . . . . . . . . . c30244_5us3 1 . 8 . 3592 . 1 1 5 PRO CB C 6.443 -2.954 -0.392 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CB . . . . . . . . . c30244_5us3 1 . 8 . 3593 . 1 1 5 PRO CD C 4.697 -1.499 -0.899 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CD . . . . . . . . . c30244_5us3 1 . 8 . 3594 . 1 1 5 PRO CG C 4.969 -2.917 -0.548 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CG . . . . . . . . . c30244_5us3 1 . 8 . 3595 . 1 1 5 PRO HA H 7.923 -1.820 -1.424 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HA . . . . . . . . . c30244_5us3 1 . 8 . 3596 . 1 1 5 PRO HB2 H 6.828 -3.962 -0.396 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HB2 . . . . . . . . . c30244_5us3 1 . 8 . 3597 . 1 1 5 PRO HB3 H 6.720 -2.426 0.505 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HB3 . . . . . . . . . c30244_5us3 1 . 8 . 3598 . 1 1 5 PRO HD2 H 3.842 -1.425 -1.556 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HD2 . . . . . . . . . c30244_5us3 1 . 8 . 3599 . 1 1 5 PRO HD3 H 4.546 -0.915 -0.004 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HD3 . . . . . . . . . c30244_5us3 1 . 8 . 3600 . 1 1 5 PRO HG2 H 4.667 -3.566 -1.360 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HG2 . . . . . . . . . c30244_5us3 1 . 8 . 3601 . 1 1 5 PRO HG3 H 4.476 -3.179 0.372 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HG3 . . . . . . . . . c30244_5us3 1 . 8 . 3602 . 1 1 5 PRO N N 5.958 -1.089 -1.601 . . . 1.0 . . . . . . . . . . . . A . 5 PRO N . . . . . . . . . c30244_5us3 1 . 8 . 3603 . 1 1 5 PRO O O 7.957 -3.738 -3.113 . . . 1.0 . . . . . . . . . . . . A . 5 PRO O . . . . . . . . . c30244_5us3 1 . 8 . 3604 . 1 1 6 GLU C C 5.310 -3.304 -6.062 . . . 1.0 . . . . . . . . . . . . A . 6 GLU C . . . . . . . . . c30244_5us3 1 . 8 . 3605 . 1 1 6 GLU CA C 5.797 -4.003 -4.799 . . . 1.0 . . . . . . . . . . . . A . 6 GLU CA . . . . . . . . . c30244_5us3 1 . 8 . 3606 . 1 1 6 GLU CB C 4.967 -5.289 -4.563 . . . 1.0 . . . . . . . . . . . . A . 6 GLU CB . . . . . . . . . c30244_5us3 1 . 8 . 3607 . 1 1 6 GLU CD C 4.524 -7.204 -2.972 . . . 1.0 . . . . . . . . . . . . A . 6 GLU CD . . . . . . . . . c30244_5us3 1 . 8 . 3608 . 1 1 6 GLU CG C 4.840 -5.729 -3.111 . . . 1.0 . . . . . . . . . . . . A . 6 GLU CG . . . . . . . . . c30244_5us3 1 . 8 . 3609 . 1 1 6 GLU H H 5.088 -2.487 -3.406 . . . 1.0 . . . . . . . . . . . . A . 6 GLU H . . . . . . . . . c30244_5us3 1 . 8 . 3610 . 1 1 6 GLU HA H 6.815 -4.306 -4.979 . . . 1.0 . . . . . . . . . . . . A . 6 GLU HA . . . . . . . . . c30244_5us3 1 . 8 . 3611 . 1 1 6 GLU HB2 H 3.975 -5.143 -4.957 . . . 1.0 . . . . . . . . . . . . A . 6 GLU HB2 . . . . . . . . . c30244_5us3 1 . 8 . 3612 . 1 1 6 GLU HB3 H 5.432 -6.097 -5.112 . . . 1.0 . . . . . . . . . . . . A . 6 GLU HB3 . . . . . . . . . c30244_5us3 1 . 8 . 3613 . 1 1 6 GLU HG2 H 5.768 -5.521 -2.601 . . . 1.0 . . . . . . . . . . . . A . 6 GLU HG2 . . . . . . . . . c30244_5us3 1 . 8 . 3614 . 1 1 6 GLU HG3 H 4.043 -5.162 -2.652 . . . 1.0 . . . . . . . . . . . . A . 6 GLU HG3 . . . . . . . . . c30244_5us3 1 . 8 . 3615 . 1 1 6 GLU N N 5.845 -3.106 -3.614 . . . 1.0 . . . . . . . . . . . . A . 6 GLU N . . . . . . . . . c30244_5us3 1 . 8 . 3616 . 1 1 6 GLU O O 5.541 -3.806 -7.167 . . . 1.0 . . . . . . . . . . . . A . 6 GLU O . . . . . . . . . c30244_5us3 1 . 8 . 3617 . 1 1 6 GLU OE1 O 5.474 -8.008 -2.867 . . . 1.0 . . . . . . . . . . . . A . 6 GLU OE1 . . . . . . . . . c30244_5us3 1 . 8 . 3618 . 1 1 6 GLU OE2 O 3.326 -7.558 -2.971 . . . 1.0 . . . . . . . . . . . . A . 6 GLU OE2 . . . . . . . . . c30244_5us3 1 . 8 . 3619 . 1 1 7 CYS C C 4.494 0.083 -6.981 . . . 1.0 . . . . . . . . . . . . A . 7 CYS C . . . . . . . . . c30244_5us3 1 . 8 . 3620 . 1 1 7 CYS CA C 4.170 -1.414 -7.082 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CA . . . . . . . . . c30244_5us3 1 . 8 . 3621 . 1 1 7 CYS CB C 2.685 -1.639 -7.432 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CB . . . . . . . . . c30244_5us3 1 . 8 . 3622 . 1 1 7 CYS H H 4.527 -1.791 -5.010 . . . 1.0 . . . . . . . . . . . . A . 7 CYS H . . . . . . . . . c30244_5us3 1 . 8 . 3623 . 1 1 7 CYS HA H 4.743 -1.813 -7.888 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HA . . . . . . . . . c30244_5us3 1 . 8 . 3624 . 1 1 7 CYS HB2 H 2.563 -1.402 -8.471 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB2 . . . . . . . . . c30244_5us3 1 . 8 . 3625 . 1 1 7 CYS HB3 H 2.443 -2.674 -7.272 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB3 . . . . . . . . . c30244_5us3 1 . 8 . 3626 . 1 1 7 CYS N N 4.645 -2.158 -5.912 . . . 1.0 . . . . . . . . . . . . A . 7 CYS N . . . . . . . . . c30244_5us3 1 . 8 . 3627 . 1 1 7 CYS O O 4.004 0.755 -6.089 . . . 1.0 . . . . . . . . . . . . A . 7 CYS O . . . . . . . . . c30244_5us3 1 . 8 . 3628 . 1 1 7 CYS SG S 1.453 -0.638 -6.552 . . . 1.0 . . . . . . . . . . . . A . 7 CYS SG . . . . . . . . . c30244_5us3 1 . 8 . 3629 . 1 1 8 PRO C C 4.766 3.120 -7.657 . . . 1.0 . . . . . . . . . . . . A . 8 PRO C . . . . . . . . . c30244_5us3 1 . 8 . 3630 . 1 1 8 PRO CA C 5.791 2.021 -8.011 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CA . . . . . . . . . c30244_5us3 1 . 8 . 3631 . 1 1 8 PRO CB C 6.216 2.125 -9.475 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CB . . . . . . . . . c30244_5us3 1 . 8 . 3632 . 1 1 8 PRO CD C 5.908 -0.191 -9.011 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CD . . . . . . . . . c30244_5us3 1 . 8 . 3633 . 1 1 8 PRO CG C 6.756 0.781 -9.791 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CG . . . . . . . . . c30244_5us3 1 . 8 . 3634 . 1 1 8 PRO HA H 6.664 2.165 -7.393 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HA . . . . . . . . . c30244_5us3 1 . 8 . 3635 . 1 1 8 PRO HB2 H 5.357 2.359 -10.094 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HB2 . . . . . . . . . c30244_5us3 1 . 8 . 3636 . 1 1 8 PRO HB3 H 6.983 2.873 -9.593 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HB3 . . . . . . . . . c30244_5us3 1 . 8 . 3637 . 1 1 8 PRO HD2 H 5.124 -0.591 -9.624 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HD2 . . . . . . . . . c30244_5us3 1 . 8 . 3638 . 1 1 8 PRO HD3 H 6.510 -0.984 -8.594 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HD3 . . . . . . . . . c30244_5us3 1 . 8 . 3639 . 1 1 8 PRO HG2 H 6.673 0.592 -10.854 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HG2 . . . . . . . . . c30244_5us3 1 . 8 . 3640 . 1 1 8 PRO HG3 H 7.784 0.711 -9.472 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HG3 . . . . . . . . . c30244_5us3 1 . 8 . 3641 . 1 1 8 PRO N N 5.324 0.607 -7.928 . . . 1.0 . . . . . . . . . . . . A . 8 PRO N . . . . . . . . . c30244_5us3 1 . 8 . 3642 . 1 1 8 PRO O O 4.810 4.228 -8.212 . . . 1.0 . . . . . . . . . . . . A . 8 PRO O . . . . . . . . . c30244_5us3 1 . 8 . 3643 . 1 1 9 LYS C C 3.550 4.446 -5.022 . . . 1.0 . . . . . . . . . . . . A . 9 LYS C . . . . . . . . . c30244_5us3 1 . 8 . 3644 . 1 1 9 LYS CA C 2.898 3.743 -6.235 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CA . . . . . . . . . c30244_5us3 1 . 8 . 3645 . 1 1 9 LYS CB C 1.615 2.969 -5.890 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CB . . . . . . . . . c30244_5us3 1 . 8 . 3646 . 1 1 9 LYS CD C -0.046 2.979 -7.787 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CD . . . . . . . . . c30244_5us3 1 . 8 . 3647 . 1 1 9 LYS CE C -1.309 3.613 -8.349 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CE . . . . . . . . . c30244_5us3 1 . 8 . 3648 . 1 1 9 LYS CG C 0.341 3.597 -6.451 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CG . . . . . . . . . c30244_5us3 1 . 8 . 3649 . 1 1 9 LYS H H 3.851 1.925 -6.333 . . . 1.0 . . . . . . . . . . . . A . 9 LYS H . . . . . . . . . c30244_5us3 1 . 8 . 3650 . 1 1 9 LYS HA H 2.692 4.458 -7.003 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HA . . . . . . . . . c30244_5us3 1 . 8 . 3651 . 1 1 9 LYS HB2 H 1.701 1.973 -6.301 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB2 . . . . . . . . . c30244_5us3 1 . 8 . 3652 . 1 1 9 LYS HB3 H 1.524 2.891 -4.819 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB3 . . . . . . . . . c30244_5us3 1 . 8 . 3653 . 1 1 9 LYS HD2 H 0.761 3.127 -8.488 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD2 . . . . . . . . . c30244_5us3 1 . 8 . 3654 . 1 1 9 LYS HD3 H -0.216 1.922 -7.648 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD3 . . . . . . . . . c30244_5us3 1 . 8 . 3655 . 1 1 9 LYS HE2 H -2.114 3.467 -7.644 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE2 . . . . . . . . . c30244_5us3 1 . 8 . 3656 . 1 1 9 LYS HE3 H -1.135 4.670 -8.484 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE3 . . . . . . . . . c30244_5us3 1 . 8 . 3657 . 1 1 9 LYS HG2 H -0.467 3.446 -5.750 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG2 . . . . . . . . . c30244_5us3 1 . 8 . 3658 . 1 1 9 LYS HG3 H 0.499 4.656 -6.591 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG3 . . . . . . . . . c30244_5us3 1 . 8 . 3659 . 1 1 9 LYS HZ1 H -0.934 3.149 -10.350 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ1 . . . . . . . . . c30244_5us3 1 . 8 . 3660 . 1 1 9 LYS HZ2 H -2.560 3.467 -10.015 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ2 . . . . . . . . . c30244_5us3 1 . 8 . 3661 . 1 1 9 LYS HZ3 H -1.873 1.995 -9.544 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ3 . . . . . . . . . c30244_5us3 1 . 8 . 3662 . 1 1 9 LYS N N 3.866 2.817 -6.719 . . . 1.0 . . . . . . . . . . . . A . 9 LYS N . . . . . . . . . c30244_5us3 1 . 8 . 3663 . 1 1 9 LYS NZ N -1.696 3.014 -9.656 . . . 1.0 . . . . . . . . . . . . A . 9 LYS NZ . . . . . . . . . c30244_5us3 1 . 8 . 3664 . 1 1 9 LYS O O 3.707 3.829 -3.969 . . . 1.0 . . . . . . . . . . . . A . 9 LYS O . . . . . . . . . c30244_5us3 1 . 8 . 3665 . 1 1 10 MMO C C 3.919 7.703 -3.578 . . . 1.0 . . . . . . . . . . . . A . 10 MMO C . . . . . . . . . c30244_5us3 1 . 8 . 3666 . 1 1 10 MMO CA C 4.643 6.436 -4.032 . . . 1.0 . . . . . . . . . . . . A . 10 MMO CA . . . . . . . . . c30244_5us3 1 . 8 . 3667 . 1 1 10 MMO CB C 6.070 6.736 -4.532 . . . 1.0 . . . . . . . . . . . . A . 10 MMO CB . . . . . . . . . c30244_5us3 1 . 8 . 3668 . 1 1 10 MMO CD C 8.421 5.809 -4.549 . . . 1.0 . . . . . . . . . . . . A . 10 MMO CD . . . . . . . . . c30244_5us3 1 . 8 . 3669 . 1 1 10 MMO CG C 6.937 5.489 -4.625 . . . 1.0 . . . . . . . . . . . . A . 10 MMO CG . . . . . . . . . c30244_5us3 1 . 8 . 3670 . 1 1 10 MMO CN C 3.580 6.514 -6.340 . . . 1.0 . . . . . . . . . . . . A . 10 MMO CN . . . . . . . . . c30244_5us3 1 . 8 . 3671 . 1 1 10 MMO CZ C 10.198 6.798 -5.985 . . . 1.0 . . . . . . . . . . . . A . 10 MMO CZ . . . . . . . . . c30244_5us3 1 . 8 . 3672 . 1 1 10 MMO HA H 4.704 5.756 -3.193 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HA . . . . . . . . . c30244_5us3 1 . 8 . 3673 . 1 1 10 MMO HC1 H 4.092 6.114 -7.196 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HC1 . . . . . . . . . c30244_5us3 1 . 8 . 3674 . 1 1 10 MMO HC2 H 3.868 7.539 -6.176 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HC2 . . . . . . . . . c30244_5us3 1 . 8 . 3675 . 1 1 10 MMO HC3 H 2.515 6.454 -6.477 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HC3 . . . . . . . . . c30244_5us3 1 . 8 . 3676 . 1 1 10 MMO HCB1 H 6.540 7.429 -3.850 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HCB1 . . . . . . . . . c30244_5us3 1 . 8 . 3677 . 1 1 10 MMO HCB2 H 6.013 7.189 -5.511 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HCB2 . . . . . . . . . c30244_5us3 1 . 8 . 3678 . 1 1 10 MMO HCD1 H 8.961 4.885 -4.398 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HCD1 . . . . . . . . . c30244_5us3 1 . 8 . 3679 . 1 1 10 MMO HCD2 H 8.591 6.464 -3.709 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HCD2 . . . . . . . . . c30244_5us3 1 . 8 . 3680 . 1 1 10 MMO HCG1 H 6.732 4.992 -5.563 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HCG1 . . . . . . . . . c30244_5us3 1 . 8 . 3681 . 1 1 10 MMO HCG2 H 6.679 4.834 -3.808 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HCG2 . . . . . . . . . c30244_5us3 1 . 8 . 3682 . 1 1 10 MMO HH11 H 12.087 6.823 -5.252 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HH11 . . . . . . . . . c30244_5us3 1 . 8 . 3683 . 1 1 10 MMO HH12 H 10.895 6.122 -4.207 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HH12 . . . . . . . . . c30244_5us3 1 . 8 . 3684 . 1 1 10 MMO HH21 H 9.839 7.564 -7.821 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HH21 . . . . . . . . . c30244_5us3 1 . 8 . 3685 . 1 1 10 MMO HH22 H 11.488 7.637 -7.296 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HH22 . . . . . . . . . c30244_5us3 1 . 8 . 3686 . 1 1 10 MMO N N 3.947 5.745 -5.145 . . . 1.0 . . . . . . . . . . . . A . 10 MMO N . . . . . . . . . c30244_5us3 1 . 8 . 3687 . 1 1 10 MMO NE N 8.920 6.458 -5.769 . . . 1.0 . . . . . . . . . . . . A . 10 MMO NE . . . . . . . . . c30244_5us3 1 . 8 . 3688 . 1 1 10 MMO NH1 N 11.139 6.561 -5.073 . . . 1.0 . . . . . . . . . . . . A . 10 MMO NH1 . . . . . . . . . c30244_5us3 1 . 8 . 3689 . 1 1 10 MMO NH2 N 10.536 7.381 -7.128 . . . 1.0 . . . . . . . . . . . . A . 10 MMO NH2 . . . . . . . . . c30244_5us3 1 . 8 . 3690 . 1 1 10 MMO O O 3.697 8.648 -4.345 . . . 1.0 . . . . . . . . . . . . A . 10 MMO O . . . . . . . . . c30244_5us3 1 . 8 . 3691 . 1 1 11 PHE C C 3.206 8.715 -0.192 . . . 1.0 . . . . . . . . . . . . A . 11 PHE C . . . . . . . . . c30244_5us3 1 . 8 . 3692 . 1 1 11 PHE CA C 2.796 8.708 -1.639 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CA . . . . . . . . . c30244_5us3 1 . 8 . 3693 . 1 1 11 PHE CB C 1.285 8.378 -1.768 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CB . . . . . . . . . c30244_5us3 1 . 8 . 3694 . 1 1 11 PHE CD1 C 0.605 6.067 -1.011 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CD1 . . . . . . . . . c30244_5us3 1 . 8 . 3695 . 1 1 11 PHE CD2 C 1.243 6.368 -3.280 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CD2 . . . . . . . . . c30244_5us3 1 . 8 . 3696 . 1 1 11 PHE CE1 C 0.417 4.723 -1.253 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CE1 . . . . . . . . . c30244_5us3 1 . 8 . 3697 . 1 1 11 PHE CE2 C 1.062 5.040 -3.522 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CE2 . . . . . . . . . c30244_5us3 1 . 8 . 3698 . 1 1 11 PHE CG C 1.022 6.910 -2.023 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CG . . . . . . . . . c30244_5us3 1 . 8 . 3699 . 1 1 11 PHE CZ C 0.655 4.206 -2.527 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CZ . . . . . . . . . c30244_5us3 1 . 8 . 3700 . 1 1 11 PHE H H 3.951 6.977 -1.760 . . . 1.0 . . . . . . . . . . . . A . 11 PHE H . . . . . . . . . c30244_5us3 1 . 8 . 3701 . 1 1 11 PHE HA H 3.008 9.667 -2.088 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HA . . . . . . . . . c30244_5us3 1 . 8 . 3702 . 1 1 11 PHE HB2 H 0.782 8.653 -0.852 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HB2 . . . . . . . . . c30244_5us3 1 . 8 . 3703 . 1 1 11 PHE HB3 H 0.865 8.942 -2.588 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HB3 . . . . . . . . . c30244_5us3 1 . 8 . 3704 . 1 1 11 PHE HD1 H 0.435 6.463 -0.021 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HD1 . . . . . . . . . c30244_5us3 1 . 8 . 3705 . 1 1 11 PHE HD2 H 1.576 7.010 -4.077 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HD2 . . . . . . . . . c30244_5us3 1 . 8 . 3706 . 1 1 11 PHE HE1 H 0.100 4.084 -0.448 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HE1 . . . . . . . . . c30244_5us3 1 . 8 . 3707 . 1 1 11 PHE HE2 H 1.280 4.634 -4.509 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HE2 . . . . . . . . . c30244_5us3 1 . 8 . 3708 . 1 1 11 PHE HZ H 0.526 3.151 -2.750 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HZ . . . . . . . . . c30244_5us3 1 . 8 . 3709 . 1 1 11 PHE N N 3.589 7.687 -2.305 . . . 1.0 . . . . . . . . . . . . A . 11 PHE N . . . . . . . . . c30244_5us3 1 . 8 . 3710 . 1 1 11 PHE O O 3.317 7.658 0.426 . . . 1.0 . . . . . . . . . . . . A . 11 PHE O . . . . . . . . . c30244_5us3 1 . 8 . 3711 . 1 1 12 NLE C C 2.770 9.779 2.772 . . . 1.0 . . . . . . . . . . . . A . 12 NLE C . . . . . . . . . c30244_5us3 1 . 8 . 3712 . 1 1 12 NLE CA C 3.865 10.068 1.716 . . . 1.0 . . . . . . . . . . . . A . 12 NLE CA . . . . . . . . . c30244_5us3 1 . 8 . 3713 . 1 1 12 NLE CB C 4.449 11.471 1.805 . . . 1.0 . . . . . . . . . . . . A . 12 NLE CB . . . . . . . . . c30244_5us3 1 . 8 . 3714 . 1 1 12 NLE CD C 4.778 12.550 4.061 . . . 1.0 . . . . . . . . . . . . A . 12 NLE CD . . . . . . . . . c30244_5us3 1 . 8 . 3715 . 1 1 12 NLE CE C 5.795 12.871 5.135 . . . 1.0 . . . . . . . . . . . . A . 12 NLE CE . . . . . . . . . c30244_5us3 1 . 8 . 3716 . 1 1 12 NLE CG C 5.414 11.704 2.968 . . . 1.0 . . . . . . . . . . . . A . 12 NLE CG . . . . . . . . . c30244_5us3 1 . 8 . 3717 . 1 1 12 NLE H H 3.232 10.699 -0.194 . . . 1.0 . . . . . . . . . . . . A . 12 NLE H . . . . . . . . . c30244_5us3 1 . 8 . 3718 . 1 1 12 NLE HA H 4.666 9.361 1.868 . . . 1.0 . . . . . . . . . . . . A . 12 NLE HA . . . . . . . . . c30244_5us3 1 . 8 . 3719 . 1 1 12 NLE HB2 H 3.638 12.175 1.878 . . . 1.0 . . . . . . . . . . . . A . 12 NLE HB2 . . . . . . . . . c30244_5us3 1 . 8 . 3720 . 1 1 12 NLE HB3 H 4.981 11.644 0.878 . . . 1.0 . . . . . . . . . . . . A . 12 NLE HB3 . . . . . . . . . c30244_5us3 1 . 8 . 3721 . 1 1 12 NLE HD2 H 3.961 12.002 4.508 . . . 1.0 . . . . . . . . . . . . A . 12 NLE HD2 . . . . . . . . . c30244_5us3 1 . 8 . 3722 . 1 1 12 NLE HD3 H 4.418 13.475 3.637 . . . 1.0 . . . . . . . . . . . . A . 12 NLE HD3 . . . . . . . . . c30244_5us3 1 . 8 . 3723 . 1 1 12 NLE HE1 H 6.162 11.954 5.569 . . . 1.0 . . . . . . . . . . . . A . 12 NLE HE1 . . . . . . . . . c30244_5us3 1 . 8 . 3724 . 1 1 12 NLE HE2 H 5.329 13.472 5.903 . . . 1.0 . . . . . . . . . . . . A . 12 NLE HE2 . . . . . . . . . c30244_5us3 1 . 8 . 3725 . 1 1 12 NLE HE3 H 6.618 13.417 4.699 . . . 1.0 . . . . . . . . . . . . A . 12 NLE HE3 . . . . . . . . . c30244_5us3 1 . 8 . 3726 . 1 1 12 NLE HG2 H 6.295 12.212 2.600 . . . 1.0 . . . . . . . . . . . . A . 12 NLE HG2 . . . . . . . . . c30244_5us3 1 . 8 . 3727 . 1 1 12 NLE HG3 H 5.696 10.751 3.387 . . . 1.0 . . . . . . . . . . . . A . 12 NLE HG3 . . . . . . . . . c30244_5us3 1 . 8 . 3728 . 1 1 12 NLE N N 3.404 9.900 0.347 . . . 1.0 . . . . . . . . . . . . A . 12 NLE N . . . . . . . . . c30244_5us3 1 . 8 . 3729 . 1 1 12 NLE O O 2.555 10.554 3.712 . . . 1.0 . . . . . . . . . . . . A . 12 NLE O . . . . . . . . . c30244_5us3 1 . 8 . 3730 . 1 1 13 ARG C C 1.244 6.653 3.659 . . . 1.0 . . . . . . . . . . . . A . 13 ARG C . . . . . . . . . c30244_5us3 1 . 8 . 3731 . 1 1 13 ARG CA C 1.065 8.163 3.515 . . . 1.0 . . . . . . . . . . . . A . 13 ARG CA . . . . . . . . . c30244_5us3 1 . 8 . 3732 . 1 1 13 ARG CB C -0.351 8.517 3.024 . . . 1.0 . . . . . . . . . . . . A . 13 ARG CB . . . . . . . . . c30244_5us3 1 . 8 . 3733 . 1 1 13 ARG CD C -1.208 10.422 4.449 . . . 1.0 . . . . . . . . . . . . A . 13 ARG CD . . . . . . . . . c30244_5us3 1 . 8 . 3734 . 1 1 13 ARG CG C -0.683 10.007 3.080 . . . 1.0 . . . . . . . . . . . . A . 13 ARG CG . . . . . . . . . c30244_5us3 1 . 8 . 3735 . 1 1 13 ARG CZ C -2.010 12.488 5.583 . . . 1.0 . . . . . . . . . . . . A . 13 ARG CZ . . . . . . . . . c30244_5us3 1 . 8 . 3736 . 1 1 13 ARG H H 2.280 8.090 1.791 . . . 1.0 . . . . . . . . . . . . A . 13 ARG H . . . . . . . . . c30244_5us3 1 . 8 . 3737 . 1 1 13 ARG HA H 1.242 8.629 4.475 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HA . . . . . . . . . c30244_5us3 1 . 8 . 3738 . 1 1 13 ARG HB2 H -0.454 8.186 2.001 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HB2 . . . . . . . . . c30244_5us3 1 . 8 . 3739 . 1 1 13 ARG HB3 H -1.068 7.988 3.635 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HB3 . . . . . . . . . c30244_5us3 1 . 8 . 3740 . 1 1 13 ARG HD2 H -2.102 9.856 4.664 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HD2 . . . . . . . . . c30244_5us3 1 . 8 . 3741 . 1 1 13 ARG HD3 H -0.455 10.202 5.191 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HD3 . . . . . . . . . c30244_5us3 1 . 8 . 3742 . 1 1 13 ARG HE H -1.373 12.377 3.690 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HE . . . . . . . . . c30244_5us3 1 . 8 . 3743 . 1 1 13 ARG HG2 H 0.211 10.572 2.866 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HG2 . . . . . . . . . c30244_5us3 1 . 8 . 3744 . 1 1 13 ARG HG3 H -1.435 10.228 2.336 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HG3 . . . . . . . . . c30244_5us3 1 . 8 . 3745 . 1 1 13 ARG HH11 H -2.055 10.853 6.781 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HH11 . . . . . . . . . c30244_5us3 1 . 8 . 3746 . 1 1 13 ARG HH12 H -2.602 12.324 7.514 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HH12 . . . . . . . . . c30244_5us3 1 . 8 . 3747 . 1 1 13 ARG HH21 H -2.622 14.267 6.320 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HH21 . . . . . . . . . c30244_5us3 1 . 8 . 3748 . 1 1 13 ARG HH22 H -2.092 14.289 4.671 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HH22 . . . . . . . . . c30244_5us3 1 . 8 . 3749 . 1 1 13 ARG N N 2.090 8.637 2.592 . . . 1.0 . . . . . . . . . . . . A . 13 ARG N . . . . . . . . . c30244_5us3 1 . 8 . 3750 . 1 1 13 ARG NE N -1.526 11.853 4.505 . . . 1.0 . . . . . . . . . . . . A . 13 ARG NE . . . . . . . . . c30244_5us3 1 . 8 . 3751 . 1 1 13 ARG NH1 N -2.242 11.834 6.721 . . . 1.0 . . . . . . . . . . . . A . 13 ARG NH1 . . . . . . . . . c30244_5us3 1 . 8 . 3752 . 1 1 13 ARG NH2 N -2.262 13.787 5.519 . . . 1.0 . . . . . . . . . . . . A . 13 ARG NH2 . . . . . . . . . c30244_5us3 1 . 8 . 3753 . 1 1 13 ARG O O 0.703 5.869 2.871 . . . 1.0 . . . . . . . . . . . . A . 13 ARG O . . . . . . . . . c30244_5us3 1 . 8 . 3754 . 1 1 14 SER C C 1.299 4.089 5.682 . . . 1.0 . . . . . . . . . . . . A . 14 SER C . . . . . . . . . c30244_5us3 1 . 8 . 3755 . 1 1 14 SER CA C 2.370 4.852 4.894 . . . 1.0 . . . . . . . . . . . . A . 14 SER CA . . . . . . . . . c30244_5us3 1 . 8 . 3756 . 1 1 14 SER CB C 3.710 4.749 5.623 . . . 1.0 . . . . . . . . . . . . A . 14 SER CB . . . . . . . . . c30244_5us3 1 . 8 . 3757 . 1 1 14 SER H H 2.419 6.941 5.256 . . . 1.0 . . . . . . . . . . . . A . 14 SER H . . . . . . . . . c30244_5us3 1 . 8 . 3758 . 1 1 14 SER HA H 2.474 4.390 3.925 . . . 1.0 . . . . . . . . . . . . A . 14 SER HA . . . . . . . . . c30244_5us3 1 . 8 . 3759 . 1 1 14 SER HB2 H 3.619 5.191 6.604 . . . 1.0 . . . . . . . . . . . . A . 14 SER HB2 . . . . . . . . . c30244_5us3 1 . 8 . 3760 . 1 1 14 SER HB3 H 3.985 3.709 5.721 . . . 1.0 . . . . . . . . . . . . A . 14 SER HB3 . . . . . . . . . c30244_5us3 1 . 8 . 3761 . 1 1 14 SER HG H 5.404 4.797 4.640 . . . 1.0 . . . . . . . . . . . . A . 14 SER HG . . . . . . . . . c30244_5us3 1 . 8 . 3762 . 1 1 14 SER N N 2.040 6.261 4.658 . . . 1.0 . . . . . . . . . . . . A . 14 SER N . . . . . . . . . c30244_5us3 1 . 8 . 3763 . 1 1 14 SER O O 1.240 2.859 5.598 . . . 1.0 . . . . . . . . . . . . A . 14 SER O . . . . . . . . . c30244_5us3 1 . 8 . 3764 . 1 1 14 SER OG O 4.731 5.426 4.911 . . . 1.0 . . . . . . . . . . . . A . 14 SER OG . . . . . . . . . c30244_5us3 1 . 8 . 3765 . 1 1 15 B3D C C -2.509 4.301 5.582 . . . 1.0 . . . . . . . . . . . . A . 15 B3D C . . . . . . . . . c30244_5us3 1 . 8 . 3766 . 1 1 15 B3D CA C -1.952 4.742 6.908 . . . 1.0 . . . . . . . . . . . . A . 15 B3D CA . . . . . . . . . c30244_5us3 1 . 8 . 3767 . 1 1 15 B3D CB C -0.565 4.175 7.225 . . . 1.0 . . . . . . . . . . . . A . 15 B3D CB . . . . . . . . . c30244_5us3 1 . 8 . 3768 . 1 1 15 B3D CD C 0.940 3.756 9.242 . . . 1.0 . . . . . . . . . . . . A . 15 B3D CD . . . . . . . . . c30244_5us3 1 . 8 . 3769 . 1 1 15 B3D CG C -0.298 4.464 8.718 . . . 1.0 . . . . . . . . . . . . A . 15 B3D CG . . . . . . . . . c30244_5us3 1 . 8 . 3770 . 1 1 15 B3D H H 0.557 5.782 6.463 . . . 1.0 . . . . . . . . . . . . A . 15 B3D H . . . . . . . . . c30244_5us3 1 . 8 . 3771 . 1 1 15 B3D HA1 H -1.894 5.821 6.904 . . . 1.0 . . . . . . . . . . . . A . 15 B3D HA1 . . . . . . . . . c30244_5us3 1 . 8 . 3772 . 1 1 15 B3D HA2 H -2.642 4.432 7.678 . . . 1.0 . . . . . . . . . . . . A . 15 B3D HA2 . . . . . . . . . c30244_5us3 1 . 8 . 3773 . 1 1 15 B3D HB H -0.521 3.094 6.975 . . . 1.0 . . . . . . . . . . . . A . 15 B3D HB . . . . . . . . . c30244_5us3 1 . 8 . 3774 . 1 1 15 B3D HG2 H -1.148 4.138 9.300 . . . 1.0 . . . . . . . . . . . . A . 15 B3D HG2 . . . . . . . . . c30244_5us3 1 . 8 . 3775 . 1 1 15 B3D HG3 H -0.163 5.526 8.853 . . . 1.0 . . . . . . . . . . . . A . 15 B3D HG3 . . . . . . . . . c30244_5us3 1 . 8 . 3776 . 1 1 15 B3D N N 0.467 4.805 6.442 . . . 1.0 . . . . . . . . . . . . A . 15 B3D N . . . . . . . . . c30244_5us3 1 . 8 . 3777 . 1 1 15 B3D O O -2.907 3.135 5.405 . . . 1.0 . . . . . . . . . . . . A . 15 B3D O . . . . . . . . . c30244_5us3 1 . 8 . 3778 . 1 1 15 B3D OE1 O 0.809 2.611 9.723 . . . 1.0 . . . . . . . . . . . . A . 15 B3D OE1 . . . . . . . . . c30244_5us3 1 . 8 . 3779 . 1 1 15 B3D OE2 O 2.037 4.347 9.168 . . . 1.0 . . . . . . . . . . . . A . 15 B3D OE2 . . . . . . . . . c30244_5us3 1 . 8 . 3780 . 1 1 16 HIS C C -2.302 3.909 2.517 . . . 1.0 . . . . . . . . . . . . A . 16 HIS C . . . . . . . . . c30244_5us3 1 . 8 . 3781 . 1 1 16 HIS CA C -3.035 5.025 3.274 . . . 1.0 . . . . . . . . . . . . A . 16 HIS CA . . . . . . . . . c30244_5us3 1 . 8 . 3782 . 1 1 16 HIS CB C -2.978 6.329 2.470 . . . 1.0 . . . . . . . . . . . . A . 16 HIS CB . . . . . . . . . c30244_5us3 1 . 8 . 3783 . 1 1 16 HIS CD2 C -3.972 5.858 0.116 . . . 1.0 . . . . . . . . . . . . A . 16 HIS CD2 . . . . . . . . . c30244_5us3 1 . 8 . 3784 . 1 1 16 HIS CE1 C -5.834 6.999 0.321 . . . 1.0 . . . . . . . . . . . . A . 16 HIS CE1 . . . . . . . . . c30244_5us3 1 . 8 . 3785 . 1 1 16 HIS CG C -3.981 6.405 1.356 . . . 1.0 . . . . . . . . . . . . A . 16 HIS CG . . . . . . . . . c30244_5us3 1 . 8 . 3786 . 1 1 16 HIS H H -2.132 6.124 4.842 . . . 1.0 . . . . . . . . . . . . A . 16 HIS H . . . . . . . . . c30244_5us3 1 . 8 . 3787 . 1 1 16 HIS HA H -4.070 4.736 3.378 . . . 1.0 . . . . . . . . . . . . A . 16 HIS HA . . . . . . . . . c30244_5us3 1 . 8 . 3788 . 1 1 16 HIS HB2 H -3.162 7.159 3.134 . . . 1.0 . . . . . . . . . . . . A . 16 HIS HB2 . . . . . . . . . c30244_5us3 1 . 8 . 3789 . 1 1 16 HIS HB3 H -1.993 6.433 2.039 . . . 1.0 . . . . . . . . . . . . A . 16 HIS HB3 . . . . . . . . . c30244_5us3 1 . 8 . 3790 . 1 1 16 HIS HD1 H -5.459 7.624 2.232 . . . 1.0 . . . . . . . . . . . . A . 16 HIS HD1 . . . . . . . . . c30244_5us3 1 . 8 . 3791 . 1 1 16 HIS HD2 H -3.196 5.235 -0.304 . . . 1.0 . . . . . . . . . . . . A . 16 HIS HD2 . . . . . . . . . c30244_5us3 1 . 8 . 3792 . 1 1 16 HIS HE1 H -6.793 7.447 0.108 . . . 1.0 . . . . . . . . . . . . A . 16 HIS HE1 . . . . . . . . . c30244_5us3 1 . 8 . 3793 . 1 1 16 HIS HE2 H -5.443 5.926 -1.380 . . . 1.0 . . . . . . . . . . . . A . 16 HIS HE2 . . . . . . . . . c30244_5us3 1 . 8 . 3794 . 1 1 16 HIS N N -2.506 5.245 4.626 . . . 1.0 . . . . . . . . . . . . A . 16 HIS N . . . . . . . . . c30244_5us3 1 . 8 . 3795 . 1 1 16 HIS ND1 N -5.160 7.114 1.452 . . . 1.0 . . . . . . . . . . . . A . 16 HIS ND1 . . . . . . . . . c30244_5us3 1 . 8 . 3796 . 1 1 16 HIS NE2 N -5.134 6.242 -0.505 . . . 1.0 . . . . . . . . . . . . A . 16 HIS NE2 . . . . . . . . . c30244_5us3 1 . 8 . 3797 . 1 1 16 HIS O O -2.927 3.213 1.716 . . . 1.0 . . . . . . . . . . . . A . 16 HIS O . . . . . . . . . c30244_5us3 1 . 8 . 3798 . 1 1 17 LEU C C -0.349 1.345 2.784 . . . 1.0 . . . . . . . . . . . . A . 17 LEU C . . . . . . . . . c30244_5us3 1 . 8 . 3799 . 1 1 17 LEU CA C -0.234 2.691 2.076 . . . 1.0 . . . . . . . . . . . . A . 17 LEU CA . . . . . . . . . c30244_5us3 1 . 8 . 3800 . 1 1 17 LEU CB C 1.243 3.033 1.861 . . . 1.0 . . . . . . . . . . . . A . 17 LEU CB . . . . . . . . . c30244_5us3 1 . 8 . 3801 . 1 1 17 LEU CD1 C 2.953 3.205 0.026 . . . 1.0 . . . . . . . . . . . . A . 17 LEU CD1 . . . . . . . . . c30244_5us3 1 . 8 . 3802 . 1 1 17 LEU CD2 C 2.418 0.978 0.979 . . . 1.0 . . . . . . . . . . . . A . 17 LEU CD2 . . . . . . . . . c30244_5us3 1 . 8 . 3803 . 1 1 17 LEU CG C 1.870 2.348 0.631 . . . 1.0 . . . . . . . . . . . . A . 17 LEU CG . . . . . . . . . c30244_5us3 1 . 8 . 3804 . 1 1 17 LEU H H -0.524 4.343 3.360 . . . 1.0 . . . . . . . . . . . . A . 17 LEU H . . . . . . . . . c30244_5us3 1 . 8 . 3805 . 1 1 17 LEU HA H -0.696 2.591 1.114 . . . 1.0 . . . . . . . . . . . . A . 17 LEU HA . . . . . . . . . c30244_5us3 1 . 8 . 3806 . 1 1 17 LEU HB2 H 1.338 4.103 1.751 . . . 1.0 . . . . . . . . . . . . A . 17 LEU HB2 . . . . . . . . . c30244_5us3 1 . 8 . 3807 . 1 1 17 LEU HB3 H 1.793 2.721 2.734 . . . 1.0 . . . . . . . . . . . . A . 17 LEU HB3 . . . . . . . . . c30244_5us3 1 . 8 . 3808 . 1 1 17 LEU HD11 H 3.757 3.324 0.736 . . . 1.0 . . . . . . . . . . . . A . 17 LEU HD11 . . . . . . . . . c30244_5us3 1 . 8 . 3809 . 1 1 17 LEU HD12 H 2.547 4.171 -0.228 . . . 1.0 . . . . . . . . . . . . A . 17 LEU HD12 . . . . . . . . . c30244_5us3 1 . 8 . 3810 . 1 1 17 LEU HD13 H 3.328 2.725 -0.868 . . . 1.0 . . . . . . . . . . . . A . 17 LEU HD13 . . . . . . . . . c30244_5us3 1 . 8 . 3811 . 1 1 17 LEU HD21 H 3.349 1.078 1.511 . . . 1.0 . . . . . . . . . . . . A . 17 LEU HD21 . . . . . . . . . c30244_5us3 1 . 8 . 3812 . 1 1 17 LEU HD22 H 2.576 0.402 0.064 . . . 1.0 . . . . . . . . . . . . A . 17 LEU HD22 . . . . . . . . . c30244_5us3 1 . 8 . 3813 . 1 1 17 LEU HD23 H 1.694 0.465 1.604 . . . 1.0 . . . . . . . . . . . . A . 17 LEU HD23 . . . . . . . . . c30244_5us3 1 . 8 . 3814 . 1 1 17 LEU HG H 1.107 2.206 -0.112 . . . 1.0 . . . . . . . . . . . . A . 17 LEU HG . . . . . . . . . c30244_5us3 1 . 8 . 3815 . 1 1 17 LEU N N -0.985 3.742 2.754 . . . 1.0 . . . . . . . . . . . . A . 17 LEU N . . . . . . . . . c30244_5us3 1 . 8 . 3816 . 1 1 17 LEU O O -0.307 0.307 2.135 . . . 1.0 . . . . . . . . . . . . A . 17 LEU O . . . . . . . . . c30244_5us3 1 . 8 . 3817 . 1 1 18 SER C C -1.895 -0.582 4.455 . . . 1.0 . . . . . . . . . . . . A . 18 SER C . . . . . . . . . c30244_5us3 1 . 8 . 3818 . 1 1 18 SER CA C -0.606 0.128 4.891 . . . 1.0 . . . . . . . . . . . . A . 18 SER CA . . . . . . . . . c30244_5us3 1 . 8 . 3819 . 1 1 18 SER CB C -0.627 0.433 6.395 . . . 1.0 . . . . . . . . . . . . A . 18 SER CB . . . . . . . . . c30244_5us3 1 . 8 . 3820 . 1 1 18 SER H H -0.373 2.214 4.570 . . . 1.0 . . . . . . . . . . . . A . 18 SER H . . . . . . . . . c30244_5us3 1 . 8 . 3821 . 1 1 18 SER HA H 0.234 -0.514 4.670 . . . 1.0 . . . . . . . . . . . . A . 18 SER HA . . . . . . . . . c30244_5us3 1 . 8 . 3822 . 1 1 18 SER HB2 H 0.264 0.984 6.660 . . . 1.0 . . . . . . . . . . . . A . 18 SER HB2 . . . . . . . . . c30244_5us3 1 . 8 . 3823 . 1 1 18 SER HB3 H -1.499 1.024 6.629 . . . 1.0 . . . . . . . . . . . . A . 18 SER HB3 . . . . . . . . . c30244_5us3 1 . 8 . 3824 . 1 1 18 SER HG H -0.896 -0.550 8.071 . . . 1.0 . . . . . . . . . . . . A . 18 SER HG . . . . . . . . . c30244_5us3 1 . 8 . 3825 . 1 1 18 SER N N -0.444 1.362 4.111 . . . 1.0 . . . . . . . . . . . . A . 18 SER N . . . . . . . . . c30244_5us3 1 . 8 . 3826 . 1 1 18 SER O O -1.869 -1.755 4.061 . . . 1.0 . . . . . . . . . . . . A . 18 SER O . . . . . . . . . c30244_5us3 1 . 8 . 3827 . 1 1 18 SER OG O -0.663 -0.760 7.164 . . . 1.0 . . . . . . . . . . . . A . 18 SER OG . . . . . . . . . c30244_5us3 1 . 8 . 3828 . 1 1 19 B3K C C -4.255 -0.065 1.520 . . . 1.0 . . . . . . . . . . . . A . 19 B3K C . . . . . . . . . c30244_5us3 1 . 8 . 3829 . 1 1 19 B3K CA C -4.805 0.390 2.850 . . . 1.0 . . . . . . . . . . . . A . 19 B3K CA . . . . . . . . . c30244_5us3 1 . 8 . 3830 . 1 1 19 B3K CB C -4.270 -0.382 4.060 . . . 1.0 . . . . . . . . . . . . A . 19 B3K CB . . . . . . . . . c30244_5us3 1 . 8 . 3831 . 1 1 19 B3K CD C -5.002 -1.043 6.441 . . . 1.0 . . . . . . . . . . . . A . 19 B3K CD . . . . . . . . . c30244_5us3 1 . 8 . 3832 . 1 1 19 B3K CE C -6.038 -0.813 7.528 . . . 1.0 . . . . . . . . . . . . A . 19 B3K CE . . . . . . . . . c30244_5us3 1 . 8 . 3833 . 1 1 19 B3K CF C -5.738 -1.639 8.768 . . . 1.0 . . . . . . . . . . . . A . 19 B3K CF . . . . . . . . . c30244_5us3 1 . 8 . 3834 . 1 1 19 B3K CG C -5.305 -0.216 5.197 . . . 1.0 . . . . . . . . . . . . A . 19 B3K CG . . . . . . . . . c30244_5us3 1 . 8 . 3835 . 1 1 19 B3K H H -2.961 1.096 4.790 . . . 1.0 . . . . . . . . . . . . A . 19 B3K H . . . . . . . . . c30244_5us3 1 . 8 . 3836 . 1 1 19 B3K HA1 H -5.879 0.286 2.817 . . . 1.0 . . . . . . . . . . . . A . 19 B3K HA1 . . . . . . . . . c30244_5us3 1 . 8 . 3837 . 1 1 19 B3K HA2 H -4.560 1.434 2.973 . . . 1.0 . . . . . . . . . . . . A . 19 B3K HA2 . . . . . . . . . c30244_5us3 1 . 8 . 3838 . 1 1 19 B3K HB H -4.080 -1.443 3.791 . . . 1.0 . . . . . . . . . . . . A . 19 B3K HB . . . . . . . . . c30244_5us3 1 . 8 . 3839 . 1 1 19 B3K HD2 H -4.029 -0.763 6.819 . . . 1.0 . . . . . . . . . . . . A . 19 B3K HD2 . . . . . . . . . c30244_5us3 1 . 8 . 3840 . 1 1 19 B3K HD3 H -5.000 -2.089 6.176 . . . 1.0 . . . . . . . . . . . . A . 19 B3K HD3 . . . . . . . . . c30244_5us3 1 . 8 . 3841 . 1 1 19 B3K HE2 H -7.011 -1.090 7.149 . . . 1.0 . . . . . . . . . . . . A . 19 B3K HE2 . . . . . . . . . c30244_5us3 1 . 8 . 3842 . 1 1 19 B3K HE3 H -6.040 0.233 7.797 . . . 1.0 . . . . . . . . . . . . A . 19 B3K HE3 . . . . . . . . . c30244_5us3 1 . 8 . 3843 . 1 1 19 B3K HF1 H -4.762 -1.362 9.142 . . . 1.0 . . . . . . . . . . . . A . 19 B3K HF1 . . . . . . . . . c30244_5us3 1 . 8 . 3844 . 1 1 19 B3K HF2 H -5.734 -2.684 8.498 . . . 1.0 . . . . . . . . . . . . A . 19 B3K HF2 . . . . . . . . . c30244_5us3 1 . 8 . 3845 . 1 1 19 B3K HG2 H -6.277 -0.509 4.830 . . . 1.0 . . . . . . . . . . . . A . 19 B3K HG2 . . . . . . . . . c30244_5us3 1 . 8 . 3846 . 1 1 19 B3K HG3 H -5.340 0.824 5.485 . . . 1.0 . . . . . . . . . . . . A . 19 B3K HG3 . . . . . . . . . c30244_5us3 1 . 8 . 3847 . 1 1 19 B3K HNZ1 H -6.515 -1.997 10.675 . . . 1.0 . . . . . . . . . . . . A . 19 B3K HNZ1 . . . . . . . . . c30244_5us3 1 . 8 . 3848 . 1 1 19 B3K HNZ2 H -7.693 -1.690 9.502 . . . 1.0 . . . . . . . . . . . . A . 19 B3K HNZ2 . . . . . . . . . c30244_5us3 1 . 8 . 3849 . 1 1 19 B3K N N -3.009 0.158 4.479 . . . 1.0 . . . . . . . . . . . . A . 19 B3K N . . . . . . . . . c30244_5us3 1 . 8 . 3850 . 1 1 19 B3K NZ N -6.748 -1.421 9.841 . . . 1.0 . . . . . . . . . . . . A . 19 B3K NZ . . . . . . . . . c30244_5us3 1 . 8 . 3851 . 1 1 19 B3K O O -4.725 -1.055 0.939 . . . 1.0 . . . . . . . . . . . . A . 19 B3K O . . . . . . . . . c30244_5us3 1 . 8 . 3852 . 1 1 20 HIS C C -2.037 -1.068 -0.376 . . . 1.0 . . . . . . . . . . . . A . 20 HIS C . . . . . . . . . c30244_5us3 1 . 8 . 3853 . 1 1 20 HIS CA C -2.569 0.364 -0.236 . . . 1.0 . . . . . . . . . . . . A . 20 HIS CA . . . . . . . . . c30244_5us3 1 . 8 . 3854 . 1 1 20 HIS CB C -1.438 1.353 -0.447 . . . 1.0 . . . . . . . . . . . . A . 20 HIS CB . . . . . . . . . c30244_5us3 1 . 8 . 3855 . 1 1 20 HIS CD2 C 0.292 0.328 -2.012 . . . 1.0 . . . . . . . . . . . . A . 20 HIS CD2 . . . . . . . . . c30244_5us3 1 . 8 . 3856 . 1 1 20 HIS CE1 C -0.391 1.177 -3.872 . . . 1.0 . . . . . . . . . . . . A . 20 HIS CE1 . . . . . . . . . c30244_5us3 1 . 8 . 3857 . 1 1 20 HIS CG C -0.736 1.150 -1.726 . . . 1.0 . . . . . . . . . . . . A . 20 HIS CG . . . . . . . . . c30244_5us3 1 . 8 . 3858 . 1 1 20 HIS H H -2.754 1.281 1.654 . . . 1.0 . . . . . . . . . . . . A . 20 HIS H . . . . . . . . . c30244_5us3 1 . 8 . 3859 . 1 1 20 HIS HA H -3.301 0.546 -0.996 . . . 1.0 . . . . . . . . . . . . A . 20 HIS HA . . . . . . . . . c30244_5us3 1 . 8 . 3860 . 1 1 20 HIS HB2 H -1.832 2.360 -0.433 . . . 1.0 . . . . . . . . . . . . A . 20 HIS HB2 . . . . . . . . . c30244_5us3 1 . 8 . 3861 . 1 1 20 HIS HB3 H -0.722 1.223 0.347 . . . 1.0 . . . . . . . . . . . . A . 20 HIS HB3 . . . . . . . . . c30244_5us3 1 . 8 . 3862 . 1 1 20 HIS HD1 H -1.873 2.346 -3.032 . . . 1.0 . . . . . . . . . . . . A . 20 HIS HD1 . . . . . . . . . c30244_5us3 1 . 8 . 3863 . 1 1 20 HIS HD2 H 0.822 -0.318 -1.302 . . . 1.0 . . . . . . . . . . . . A . 20 HIS HD2 . . . . . . . . . c30244_5us3 1 . 8 . 3864 . 1 1 20 HIS HE1 H -0.540 1.346 -4.921 . . . 1.0 . . . . . . . . . . . . A . 20 HIS HE1 . . . . . . . . . c30244_5us3 1 . 8 . 3865 . 1 1 20 HIS N N -3.185 0.617 1.066 . . . 1.0 . . . . . . . . . . . . A . 20 HIS N . . . . . . . . . c30244_5us3 1 . 8 . 3866 . 1 1 20 HIS ND1 N -1.150 1.696 -2.913 . . . 1.0 . . . . . . . . . . . . A . 20 HIS ND1 . . . . . . . . . c30244_5us3 1 . 8 . 3867 . 1 1 20 HIS NE2 N 0.502 0.354 -3.370 . . . 1.0 . . . . . . . . . . . . A . 20 HIS NE2 . . . . . . . . . c30244_5us3 1 . 8 . 3868 . 1 1 20 HIS O O -2.142 -1.684 -1.437 . . . 1.0 . . . . . . . . . . . . A . 20 HIS O . . . . . . . . . c30244_5us3 1 . 8 . 3869 . 1 1 21 ILE C C -1.770 -3.919 1.302 . . . 1.0 . . . . . . . . . . . . A . 21 ILE C . . . . . . . . . c30244_5us3 1 . 8 . 3870 . 1 1 21 ILE CA C -0.852 -2.889 0.650 . . . 1.0 . . . . . . . . . . . . A . 21 ILE CA . . . . . . . . . c30244_5us3 1 . 8 . 3871 . 1 1 21 ILE CB C 0.590 -2.911 1.212 . . . 1.0 . . . . . . . . . . . . A . 21 ILE CB . . . . . . . . . c30244_5us3 1 . 8 . 3872 . 1 1 21 ILE CD1 C 0.758 -3.924 3.555 . . . 1.0 . . . . . . . . . . . . A . 21 ILE CD1 . . . . . . . . . c30244_5us3 1 . 8 . 3873 . 1 1 21 ILE CG1 C 0.665 -2.658 2.730 . . . 1.0 . . . . . . . . . . . . A . 21 ILE CG1 . . . . . . . . . c30244_5us3 1 . 8 . 3874 . 1 1 21 ILE CG2 C 1.426 -1.903 0.474 . . . 1.0 . . . . . . . . . . . . A . 21 ILE CG2 . . . . . . . . . c30244_5us3 1 . 8 . 3875 . 1 1 21 ILE H H -1.314 -1.016 1.467 . . . 1.0 . . . . . . . . . . . . A . 21 ILE H . . . . . . . . . c30244_5us3 1 . 8 . 3876 . 1 1 21 ILE HA H -0.784 -3.148 -0.391 . . . 1.0 . . . . . . . . . . . . A . 21 ILE HA . . . . . . . . . c30244_5us3 1 . 8 . 3877 . 1 1 21 ILE HB H 1.003 -3.851 0.983 . . . 1.0 . . . . . . . . . . . . A . 21 ILE HB . . . . . . . . . c30244_5us3 1 . 8 . 3878 . 1 1 21 ILE HD11 H 0.809 -3.668 4.603 . . . 1.0 . . . . . . . . . . . . A . 21 ILE HD11 . . . . . . . . . c30244_5us3 1 . 8 . 3879 . 1 1 21 ILE HD12 H 1.645 -4.473 3.274 . . . 1.0 . . . . . . . . . . . . A . 21 ILE HD12 . . . . . . . . . c30244_5us3 1 . 8 . 3880 . 1 1 21 ILE HD13 H -0.116 -4.535 3.376 . . . 1.0 . . . . . . . . . . . . A . 21 ILE HD13 . . . . . . . . . c30244_5us3 1 . 8 . 3881 . 1 1 21 ILE HG12 H 1.537 -2.060 2.946 . . . 1.0 . . . . . . . . . . . . A . 21 ILE HG12 . . . . . . . . . c30244_5us3 1 . 8 . 3882 . 1 1 21 ILE HG13 H -0.219 -2.122 3.041 . . . 1.0 . . . . . . . . . . . . A . 21 ILE HG13 . . . . . . . . . c30244_5us3 1 . 8 . 3883 . 1 1 21 ILE HG21 H 2.361 -1.758 0.989 . . . 1.0 . . . . . . . . . . . . A . 21 ILE HG21 . . . . . . . . . c30244_5us3 1 . 8 . 3884 . 1 1 21 ILE HG22 H 0.885 -0.970 0.434 . . . 1.0 . . . . . . . . . . . . A . 21 ILE HG22 . . . . . . . . . c30244_5us3 1 . 8 . 3885 . 1 1 21 ILE HG23 H 1.612 -2.261 -0.528 . . . 1.0 . . . . . . . . . . . . A . 21 ILE HG23 . . . . . . . . . c30244_5us3 1 . 8 . 3886 . 1 1 21 ILE N N -1.418 -1.563 0.675 . . . 1.0 . . . . . . . . . . . . A . 21 ILE N . . . . . . . . . c30244_5us3 1 . 8 . 3887 . 1 1 21 ILE O O -1.552 -5.122 1.164 . . . 1.0 . . . . . . . . . . . . A . 21 ILE O . . . . . . . . . c30244_5us3 1 . 8 . 3888 . 1 1 22 B3K C C -5.321 -4.098 0.586 . . . 1.0 . . . . . . . . . . . . A . 22 B3K C . . . . . . . . . c30244_5us3 1 . 8 . 3889 . 1 1 22 B3K CA C -5.137 -3.905 2.085 . . . 1.0 . . . . . . . . . . . . A . 22 B3K CA . . . . . . . . . c30244_5us3 1 . 8 . 3890 . 1 1 22 B3K CB C -3.745 -4.275 2.635 . . . 1.0 . . . . . . . . . . . . A . 22 B3K CB . . . . . . . . . c30244_5us3 1 . 8 . 3891 . 1 1 22 B3K CD C -3.659 -5.324 4.968 . . . 1.0 . . . . . . . . . . . . A . 22 B3K CD . . . . . . . . . c30244_5us3 1 . 8 . 3892 . 1 1 22 B3K CE C -3.685 -5.043 6.462 . . . 1.0 . . . . . . . . . . . . A . 22 B3K CE . . . . . . . . . c30244_5us3 1 . 8 . 3893 . 1 1 22 B3K CF C -3.551 -6.323 7.271 . . . 1.0 . . . . . . . . . . . . A . 22 B3K CF . . . . . . . . . c30244_5us3 1 . 8 . 3894 . 1 1 22 B3K CG C -3.783 -4.044 4.158 . . . 1.0 . . . . . . . . . . . . A . 22 B3K CG . . . . . . . . . c30244_5us3 1 . 8 . 3895 . 1 1 22 B3K H H -2.774 -2.465 2.252 . . . 1.0 . . . . . . . . . . . . A . 22 B3K H . . . . . . . . . c30244_5us3 1 . 8 . 3896 . 1 1 22 B3K HA1 H -5.328 -2.865 2.308 . . . 1.0 . . . . . . . . . . . . A . 22 B3K HA1 . . . . . . . . . c30244_5us3 1 . 8 . 3897 . 1 1 22 B3K HA2 H -5.877 -4.508 2.590 . . . 1.0 . . . . . . . . . . . . A . 22 B3K HA2 . . . . . . . . . c30244_5us3 1 . 8 . 3898 . 1 1 22 B3K HB H -3.473 -5.315 2.352 . . . 1.0 . . . . . . . . . . . . A . 22 B3K HB . . . . . . . . . c30244_5us3 1 . 8 . 3899 . 1 1 22 B3K HD2 H -2.728 -5.810 4.717 . . . 1.0 . . . . . . . . . . . . A . 22 B3K HD2 . . . . . . . . . c30244_5us3 1 . 8 . 3900 . 1 1 22 B3K HD3 H -4.485 -5.976 4.721 . . . 1.0 . . . . . . . . . . . . A . 22 B3K HD3 . . . . . . . . . c30244_5us3 1 . 8 . 3901 . 1 1 22 B3K HE2 H -4.620 -4.564 6.712 . . . 1.0 . . . . . . . . . . . . A . 22 B3K HE2 . . . . . . . . . c30244_5us3 1 . 8 . 3902 . 1 1 22 B3K HE3 H -2.864 -4.385 6.708 . . . 1.0 . . . . . . . . . . . . A . 22 B3K HE3 . . . . . . . . . c30244_5us3 1 . 8 . 3903 . 1 1 22 B3K HF1 H -2.618 -6.801 7.014 . . . 1.0 . . . . . . . . . . . . A . 22 B3K HF1 . . . . . . . . . c30244_5us3 1 . 8 . 3904 . 1 1 22 B3K HF2 H -4.372 -6.978 7.023 . . . 1.0 . . . . . . . . . . . . A . 22 B3K HF2 . . . . . . . . . c30244_5us3 1 . 8 . 3905 . 1 1 22 B3K HG2 H -4.717 -3.570 4.417 . . . 1.0 . . . . . . . . . . . . A . 22 B3K HG2 . . . . . . . . . c30244_5us3 1 . 8 . 3906 . 1 1 22 B3K HG3 H -2.968 -3.390 4.432 . . . 1.0 . . . . . . . . . . . . A . 22 B3K HG3 . . . . . . . . . c30244_5us3 1 . 8 . 3907 . 1 1 22 B3K HNZ1 H -4.466 -5.600 9.005 . . . 1.0 . . . . . . . . . . . . A . 22 B3K HNZ1 . . . . . . . . . c30244_5us3 1 . 8 . 3908 . 1 1 22 B3K HNZ2 H -2.784 -5.432 8.998 . . . 1.0 . . . . . . . . . . . . A . 22 B3K HNZ2 . . . . . . . . . c30244_5us3 1 . 8 . 3909 . 1 1 22 B3K N N -2.756 -3.430 2.054 . . . 1.0 . . . . . . . . . . . . A . 22 B3K N . . . . . . . . . c30244_5us3 1 . 8 . 3910 . 1 1 22 B3K NZ N -3.572 -6.058 8.737 . . . 1.0 . . . . . . . . . . . . A . 22 B3K NZ . . . . . . . . . c30244_5us3 1 . 8 . 3911 . 1 1 22 B3K O O -6.211 -4.861 0.169 . . . 1.0 . . . . . . . . . . . . A . 22 B3K O . . . . . . . . . c30244_5us3 1 . 8 . 3912 . 1 1 23 THR C C -3.616 -4.565 -2.250 . . . 1.0 . . . . . . . . . . . . A . 23 THR C . . . . . . . . . c30244_5us3 1 . 8 . 3913 . 1 1 23 THR CA C -4.601 -3.542 -1.707 . . . 1.0 . . . . . . . . . . . . A . 23 THR CA . . . . . . . . . c30244_5us3 1 . 8 . 3914 . 1 1 23 THR CB C -4.447 -2.181 -2.446 . . . 1.0 . . . . . . . . . . . . A . 23 THR CB . . . . . . . . . c30244_5us3 1 . 8 . 3915 . 1 1 23 THR CG2 C -5.088 -2.232 -3.827 . . . 1.0 . . . . . . . . . . . . A . 23 THR CG2 . . . . . . . . . c30244_5us3 1 . 8 . 3916 . 1 1 23 THR H H -3.728 -2.899 0.137 . . . 1.0 . . . . . . . . . . . . A . 23 THR H . . . . . . . . . c30244_5us3 1 . 8 . 3917 . 1 1 23 THR HA H -5.592 -3.916 -1.902 . . . 1.0 . . . . . . . . . . . . A . 23 THR HA . . . . . . . . . c30244_5us3 1 . 8 . 3918 . 1 1 23 THR HB H -3.388 -1.952 -2.567 . . . 1.0 . . . . . . . . . . . . A . 23 THR HB . . . . . . . . . c30244_5us3 1 . 8 . 3919 . 1 1 23 THR HG1 H -5.913 -1.440 -1.352 . . . 1.0 . . . . . . . . . . . . A . 23 THR HG1 . . . . . . . . . c30244_5us3 1 . 8 . 3920 . 1 1 23 THR HG21 H -6.151 -2.386 -3.722 . . . 1.0 . . . . . . . . . . . . A . 23 THR HG21 . . . . . . . . . c30244_5us3 1 . 8 . 3921 . 1 1 23 THR HG22 H -4.660 -3.049 -4.388 . . . 1.0 . . . . . . . . . . . . A . 23 THR HG22 . . . . . . . . . c30244_5us3 1 . 8 . 3922 . 1 1 23 THR HG23 H -4.906 -1.302 -4.344 . . . 1.0 . . . . . . . . . . . . A . 23 THR HG23 . . . . . . . . . c30244_5us3 1 . 8 . 3923 . 1 1 23 THR N N -4.474 -3.432 -0.244 . . . 1.0 . . . . . . . . . . . . A . 23 THR N . . . . . . . . . c30244_5us3 1 . 8 . 3924 . 1 1 23 THR O O -3.990 -5.396 -3.083 . . . 1.0 . . . . . . . . . . . . A . 23 THR O . . . . . . . . . c30244_5us3 1 . 8 . 3925 . 1 1 23 THR OG1 O -5.065 -1.135 -1.686 . . . 1.0 . . . . . . . . . . . . A . 23 THR OG1 . . . . . . . . . c30244_5us3 1 . 8 . 3926 . 1 1 24 HIS C C -1.776 -6.868 -1.729 . . . 1.0 . . . . . . . . . . . . A . 24 HIS C . . . . . . . . . c30244_5us3 1 . 8 . 3927 . 1 1 24 HIS CA C -1.342 -5.499 -2.196 . . . 1.0 . . . . . . . . . . . . A . 24 HIS CA . . . . . . . . . c30244_5us3 1 . 8 . 3928 . 1 1 24 HIS CB C 0.033 -5.163 -1.624 . . . 1.0 . . . . . . . . . . . . A . 24 HIS CB . . . . . . . . . c30244_5us3 1 . 8 . 3929 . 1 1 24 HIS CD2 C 0.637 -2.875 -2.673 . . . 1.0 . . . . . . . . . . . . A . 24 HIS CD2 . . . . . . . . . c30244_5us3 1 . 8 . 3930 . 1 1 24 HIS CE1 C 2.299 -3.461 -3.896 . . . 1.0 . . . . . . . . . . . . A . 24 HIS CE1 . . . . . . . . . c30244_5us3 1 . 8 . 3931 . 1 1 24 HIS CG C 0.822 -4.201 -2.455 . . . 1.0 . . . . . . . . . . . . A . 24 HIS CG . . . . . . . . . c30244_5us3 1 . 8 . 3932 . 1 1 24 HIS H H -2.097 -3.768 -1.189 . . . 1.0 . . . . . . . . . . . . A . 24 HIS H . . . . . . . . . c30244_5us3 1 . 8 . 3933 . 1 1 24 HIS HA H -1.328 -5.502 -3.248 . . . 1.0 . . . . . . . . . . . . A . 24 HIS HA . . . . . . . . . c30244_5us3 1 . 8 . 3934 . 1 1 24 HIS HB2 H -0.112 -4.724 -0.650 . . . 1.0 . . . . . . . . . . . . A . 24 HIS HB2 . . . . . . . . . c30244_5us3 1 . 8 . 3935 . 1 1 24 HIS HB3 H 0.606 -6.072 -1.524 . . . 1.0 . . . . . . . . . . . . A . 24 HIS HB3 . . . . . . . . . c30244_5us3 1 . 8 . 3936 . 1 1 24 HIS HD1 H 2.333 -5.434 -3.285 . . . 1.0 . . . . . . . . . . . . A . 24 HIS HD1 . . . . . . . . . c30244_5us3 1 . 8 . 3937 . 1 1 24 HIS HD2 H 0.005 -2.204 -2.103 . . . 1.0 . . . . . . . . . . . . A . 24 HIS HD2 . . . . . . . . . c30244_5us3 1 . 8 . 3938 . 1 1 24 HIS HE1 H 3.175 -3.372 -4.520 . . . 1.0 . . . . . . . . . . . . A . 24 HIS HE1 . . . . . . . . . c30244_5us3 1 . 8 . 3939 . 1 1 24 HIS N N -2.353 -4.503 -1.788 . . . 1.0 . . . . . . . . . . . . A . 24 HIS N . . . . . . . . . c30244_5us3 1 . 8 . 3940 . 1 1 24 HIS ND1 N 1.906 -4.556 -3.242 . . . 1.0 . . . . . . . . . . . . A . 24 HIS ND1 . . . . . . . . . c30244_5us3 1 . 8 . 3941 . 1 1 24 HIS NE2 N 1.561 -2.458 -3.598 . . . 1.0 . . . . . . . . . . . . A . 24 HIS NE2 . . . . . . . . . c30244_5us3 1 . 8 . 3942 . 1 1 24 HIS O O -1.453 -7.907 -2.312 . . . 1.0 . . . . . . . . . . . . A . 24 HIS O . . . . . . . . . c30244_5us3 1 . 8 . 3943 . 1 1 25 . C C -5.669 -8.371 -0.163 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q C . . . . . . . . . c30244_5us3 1 . 8 . 3944 . 1 1 25 . CA C -4.563 -7.390 0.154 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q CA . . . . . . . . . c30244_5us3 1 . 8 . 3945 . 1 1 25 . CB C -3.157 -7.903 -0.029 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q CB . . . . . . . . . c30244_5us3 1 . 8 . 3946 . 1 1 25 . CD C -1.128 -8.846 1.231 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q CD . . . . . . . . . c30244_5us3 1 . 8 . 3947 . 1 1 25 . CE C -0.061 -7.910 1.765 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q CE . . . . . . . . . c30244_5us3 1 . 8 . 3948 . 1 1 25 . CG C -2.529 -8.252 1.328 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q CG . . . . . . . . . c30244_5us3 1 . 8 . 3949 . 1 1 25 . H11 H 0.165 -7.096 -0.034 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q H11 . . . . . . . . . c30244_5us3 1 . 8 . 3950 . 1 1 25 . H12 H 1.170 -6.450 1.214 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q H12 . . . . . . . . . c30244_5us3 1 . 8 . 3951 . 1 1 25 . H8 H -0.914 -9.058 0.194 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q H8 . . . . . . . . . c30244_5us3 1 . 8 . 3952 . 1 1 25 . H9 H -1.095 -9.766 1.798 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q H9 . . . . . . . . . c30244_5us3 1 . 8 . 3953 . 1 1 25 . HA H -4.684 -7.047 1.168 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q HA . . . . . . . . . c30244_5us3 1 . 8 . 3954 . 1 1 25 . HAA H -4.659 -6.538 -0.527 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q HAA . . . . . . . . . c30244_5us3 1 . 8 . 3955 . 1 1 25 . HB H -3.145 -8.751 -0.702 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q HB . . . . . . . . . c30244_5us3 1 . 8 . 3956 . 1 1 25 . HG H -3.168 -8.965 1.831 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q HG . . . . . . . . . c30244_5us3 1 . 8 . 3957 . 1 1 25 . HGA H -2.472 -7.354 1.925 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q HGA . . . . . . . . . c30244_5us3 1 . 8 . 3958 . 1 1 25 . HN H -2.649 -5.890 -0.270 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q HN . . . . . . . . . c30244_5us3 1 . 8 . 3959 . 1 1 25 . N N -2.513 -6.792 -0.659 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q N . . . . . . . . . c30244_5us3 1 . 8 . 3960 . 1 1 25 . NF2 N 0.479 -7.067 0.894 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q NF2 . . . . . . . . . c30244_5us3 1 . 8 . 3961 . 1 1 25 . O O -5.463 -9.589 -0.217 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q O . . . . . . . . . c30244_5us3 1 . 8 . 3962 . 1 1 25 . OF1 O 0.273 -7.944 2.950 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q OF1 . . . . . . . . . c30244_5us3 1 . 8 . 3963 . 1 1 26 ASN C C -8.530 -9.497 0.429 . . . 1.0 . . . . . . . . . . . . A . 26 ASN C . . . . . . . . . c30244_5us3 1 . 8 . 3964 . 1 1 26 ASN CA C -8.107 -8.559 -0.705 . . . 1.0 . . . . . . . . . . . . A . 26 ASN CA . . . . . . . . . c30244_5us3 1 . 8 . 3965 . 1 1 26 ASN CB C -7.953 -9.359 -2.012 . . . 1.0 . . . . . . . . . . . . A . 26 ASN CB . . . . . . . . . c30244_5us3 1 . 8 . 3966 . 1 1 26 ASN CG C -7.842 -8.465 -3.233 . . . 1.0 . . . . . . . . . . . . A . 26 ASN CG . . . . . . . . . c30244_5us3 1 . 8 . 3967 . 1 1 26 ASN H H -6.937 -6.816 -0.301 . . . 1.0 . . . . . . . . . . . . A . 26 ASN H . . . . . . . . . c30244_5us3 1 . 8 . 3968 . 1 1 26 ASN HA H -8.894 -7.833 -0.844 . . . 1.0 . . . . . . . . . . . . A . 26 ASN HA . . . . . . . . . c30244_5us3 1 . 8 . 3969 . 1 1 26 ASN HB2 H -7.062 -9.965 -1.952 . . . 1.0 . . . . . . . . . . . . A . 26 ASN HB2 . . . . . . . . . c30244_5us3 1 . 8 . 3970 . 1 1 26 ASN HB3 H -8.812 -10.001 -2.136 . . . 1.0 . . . . . . . . . . . . A . 26 ASN HB3 . . . . . . . . . c30244_5us3 1 . 8 . 3971 . 1 1 26 ASN HD21 H -5.863 -8.413 -3.046 . . . 1.0 . . . . . . . . . . . . A . 26 ASN HD21 . . . . . . . . . c30244_5us3 1 . 8 . 3972 . 1 1 26 ASN HD22 H -6.514 -7.516 -4.371 . . . 1.0 . . . . . . . . . . . . A . 26 ASN HD22 . . . . . . . . . c30244_5us3 1 . 8 . 3973 . 1 1 26 ASN N N -6.874 -7.801 -0.375 . . . 1.0 . . . . . . . . . . . . A . 26 ASN N . . . . . . . . . c30244_5us3 1 . 8 . 3974 . 1 1 26 ASN ND2 N -6.616 -8.094 -3.585 . . . 1.0 . . . . . . . . . . . . A . 26 ASN ND2 . . . . . . . . . c30244_5us3 1 . 8 . 3975 . 1 1 26 ASN O O -7.712 -10.256 0.957 . . . 1.0 . . . . . . . . . . . . A . 26 ASN O . . . . . . . . . c30244_5us3 1 . 8 . 3976 . 1 1 26 ASN OD1 O -8.845 -8.113 -3.853 . . . 1.0 . . . . . . . . . . . . A . 26 ASN OD1 . . . . . . . . . c30244_5us3 1 . 8 . 3977 . 1 1 27 LYS C C -11.326 -11.332 1.293 . . . 1.0 . . . . . . . . . . . . A . 27 LYS C . . . . . . . . . c30244_5us3 1 . 8 . 3978 . 1 1 27 LYS CA C -10.374 -10.269 1.858 . . . 1.0 . . . . . . . . . . . . A . 27 LYS CA . . . . . . . . . c30244_5us3 1 . 8 . 3979 . 1 1 27 LYS CB C -11.084 -9.405 2.927 . . . 1.0 . . . . . . . . . . . . A . 27 LYS CB . . . . . . . . . c30244_5us3 1 . 8 . 3980 . 1 1 27 LYS CD C -12.751 -7.606 3.509 . . . 1.0 . . . . . . . . . . . . A . 27 LYS CD . . . . . . . . . c30244_5us3 1 . 8 . 3981 . 1 1 27 LYS CE C -13.770 -6.612 2.972 . . . 1.0 . . . . . . . . . . . . A . 27 LYS CE . . . . . . . . . c30244_5us3 1 . 8 . 3982 . 1 1 27 LYS CG C -12.112 -8.408 2.387 . . . 1.0 . . . . . . . . . . . . A . 27 LYS CG . . . . . . . . . c30244_5us3 1 . 8 . 3983 . 1 1 27 LYS H H -10.406 -8.805 0.322 . . . 1.0 . . . . . . . . . . . . A . 27 LYS H . . . . . . . . . c30244_5us3 1 . 8 . 3984 . 1 1 27 LYS HA H -9.544 -10.779 2.327 . . . 1.0 . . . . . . . . . . . . A . 27 LYS HA . . . . . . . . . c30244_5us3 1 . 8 . 3985 . 1 1 27 LYS HB2 H -11.591 -10.063 3.616 . . . 1.0 . . . . . . . . . . . . A . 27 LYS HB2 . . . . . . . . . c30244_5us3 1 . 8 . 3986 . 1 1 27 LYS HB3 H -10.333 -8.850 3.471 . . . 1.0 . . . . . . . . . . . . A . 27 LYS HB3 . . . . . . . . . c30244_5us3 1 . 8 . 3987 . 1 1 27 LYS HD2 H -13.248 -8.283 4.185 . . . 1.0 . . . . . . . . . . . . A . 27 LYS HD2 . . . . . . . . . c30244_5us3 1 . 8 . 3988 . 1 1 27 LYS HD3 H -11.979 -7.067 4.037 . . . 1.0 . . . . . . . . . . . . A . 27 LYS HD3 . . . . . . . . . c30244_5us3 1 . 8 . 3989 . 1 1 27 LYS HE2 H -13.271 -5.938 2.291 . . . 1.0 . . . . . . . . . . . . A . 27 LYS HE2 . . . . . . . . . c30244_5us3 1 . 8 . 3990 . 1 1 27 LYS HE3 H -14.538 -7.154 2.442 . . . 1.0 . . . . . . . . . . . . A . 27 LYS HE3 . . . . . . . . . c30244_5us3 1 . 8 . 3991 . 1 1 27 LYS HG2 H -11.619 -7.728 1.708 . . . 1.0 . . . . . . . . . . . . A . 27 LYS HG2 . . . . . . . . . c30244_5us3 1 . 8 . 3992 . 1 1 27 LYS HG3 H -12.883 -8.951 1.859 . . . 1.0 . . . . . . . . . . . . A . 27 LYS HG3 . . . . . . . . . c30244_5us3 1 . 8 . 3993 . 1 1 27 LYS HZ1 H -13.673 -5.285 4.583 . . . 1.0 . . . . . . . . . . . . A . 27 LYS HZ1 . . . . . . . . . c30244_5us3 1 . 8 . 3994 . 1 1 27 LYS HZ2 H -14.890 -6.451 4.727 . . . 1.0 . . . . . . . . . . . . A . 27 LYS HZ2 . . . . . . . . . c30244_5us3 1 . 8 . 3995 . 1 1 27 LYS HZ3 H -15.089 -5.150 3.666 . . . 1.0 . . . . . . . . . . . . A . 27 LYS HZ3 . . . . . . . . . c30244_5us3 1 . 8 . 3996 . 1 1 27 LYS N N -9.816 -9.433 0.789 . . . 1.0 . . . . . . . . . . . . A . 27 LYS N . . . . . . . . . c30244_5us3 1 . 8 . 3997 . 1 1 27 LYS NZ N -14.400 -5.819 4.064 . . . 1.0 . . . . . . . . . . . . A . 27 LYS NZ . . . . . . . . . c30244_5us3 1 . 8 . 3998 . 1 1 27 LYS O O -11.259 -12.500 1.687 . . . 1.0 . . . . . . . . . . . . A . 27 LYS O . . . . . . . . . c30244_5us3 1 . 8 . 3999 . 1 1 28 LYS C C -12.859 -12.004 -1.734 . . . 1.0 . . . . . . . . . . . . A . 28 LYS C . . . . . . . . . c30244_5us3 1 . 8 . 4000 . 1 1 28 LYS CA C -13.173 -11.814 -0.251 . . . 1.0 . . . . . . . . . . . . A . 28 LYS CA . . . . . . . . . c30244_5us3 1 . 8 . 4001 . 1 1 28 LYS CB C -14.601 -11.279 -0.076 . . . 1.0 . . . . . . . . . . . . A . 28 LYS CB . . . . . . . . . c30244_5us3 1 . 8 . 4002 . 1 1 28 LYS CD C -16.560 -10.878 1.452 . . . 1.0 . . . . . . . . . . . . A . 28 LYS CD . . . . . . . . . c30244_5us3 1 . 8 . 4003 . 1 1 28 LYS CE C -17.114 -11.032 2.862 . . . 1.0 . . . . . . . . . . . . A . 28 LYS CE . . . . . . . . . c30244_5us3 1 . 8 . 4004 . 1 1 28 LYS CG C -15.143 -11.423 1.340 . . . 1.0 . . . . . . . . . . . . A . 28 LYS CG . . . . . . . . . c30244_5us3 1 . 8 . 4005 . 1 1 28 LYS H H -12.199 -9.968 0.112 . . . 1.0 . . . . . . . . . . . . A . 28 LYS H . . . . . . . . . c30244_5us3 1 . 8 . 4006 . 1 1 28 LYS HA H -13.096 -12.771 0.243 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HA . . . . . . . . . c30244_5us3 1 . 8 . 4007 . 1 1 28 LYS HB2 H -14.615 -10.231 -0.336 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HB2 . . . . . . . . . c30244_5us3 1 . 8 . 4008 . 1 1 28 LYS HB3 H -15.258 -11.815 -0.745 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HB3 . . . . . . . . . c30244_5us3 1 . 8 . 4009 . 1 1 28 LYS HD2 H -16.553 -9.830 1.194 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HD2 . . . . . . . . . c30244_5us3 1 . 8 . 4010 . 1 1 28 LYS HD3 H -17.197 -11.416 0.764 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HD3 . . . . . . . . . c30244_5us3 1 . 8 . 4011 . 1 1 28 LYS HE2 H -16.371 -10.691 3.566 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HE2 . . . . . . . . . c30244_5us3 1 . 8 . 4012 . 1 1 28 LYS HE3 H -18.001 -10.423 2.954 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HE3 . . . . . . . . . c30244_5us3 1 . 8 . 4013 . 1 1 28 LYS HG2 H -15.149 -12.469 1.607 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HG2 . . . . . . . . . c30244_5us3 1 . 8 . 4014 . 1 1 28 LYS HG3 H -14.502 -10.879 2.018 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HG3 . . . . . . . . . c30244_5us3 1 . 8 . 4015 . 1 1 28 LYS HZ1 H -17.838 -12.515 4.147 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HZ1 . . . . . . . . . c30244_5us3 1 . 8 . 4016 . 1 1 28 LYS HZ2 H -16.619 -13.050 3.102 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HZ2 . . . . . . . . . c30244_5us3 1 . 8 . 4017 . 1 1 28 LYS HZ3 H -18.184 -12.795 2.514 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HZ3 . . . . . . . . . c30244_5us3 1 . 8 . 4018 . 1 1 28 LYS N N -12.204 -10.912 0.375 . . . 1.0 . . . . . . . . . . . . A . 28 LYS N . . . . . . . . . c30244_5us3 1 . 8 . 4019 . 1 1 28 LYS NZ N -17.464 -12.447 3.178 . . . 1.0 . . . . . . . . . . . . A . 28 LYS NZ . . . . . . . . . c30244_5us3 1 . 8 . 4020 . 1 1 28 LYS O O -12.909 -11.058 -2.524 . . . 1.0 . . . . . . . . . . . . A . 28 LYS O . . . . . . . . . c30244_5us3 1 . 8 . 4021 . 1 1 29 NH2 HN1 H -12.503 -13.935 -1.427 . . . 1.0 . . . . . . . . . . . . A . 29 NH2 HN1 . . . . . . . . . c30244_5us3 1 . 8 . 4022 . 1 1 29 NH2 HN2 H -12.305 -13.385 -3.052 . . . 1.0 . . . . . . . . . . . . A . 29 NH2 HN2 . . . . . . . . . c30244_5us3 1 . 8 . 4023 . 1 1 29 NH2 N N -12.522 -13.232 -2.109 . . . 1.0 . . . . . . . . . . . . A . 29 NH2 N . . . . . . . . . c30244_5us3 1 . 8 . 4024 . 2 2 1 ZN ZN Zn 1.792 -0.728 -4.329 . . . 1.0 . . . . . . . . . . . . A . 101 ZN ZN . . . . . . . . . c30244_5us3 1 . 9 . 4025 . 1 1 1 LYS C C 6.678 2.929 5.127 . . . 1.0 . . . . . . . . . . . . A . 1 LYS C . . . . . . . . . c30244_5us3 1 . 9 . 4026 . 1 1 1 LYS CA C 7.240 2.046 6.242 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CA . . . . . . . . . c30244_5us3 1 . 9 . 4027 . 1 1 1 LYS CB C 7.102 2.756 7.596 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CB . . . . . . . . . c30244_5us3 1 . 9 . 4028 . 1 1 1 LYS CD C 7.139 2.596 10.105 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CD . . . . . . . . . c30244_5us3 1 . 9 . 4029 . 1 1 1 LYS CE C 7.328 1.680 11.302 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CE . . . . . . . . . c30244_5us3 1 . 9 . 4030 . 1 1 1 LYS CG C 7.286 1.838 8.795 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CG . . . . . . . . . c30244_5us3 1 . 9 . 4031 . 1 1 1 LYS H1 H 9.027 1.090 6.747 . . . 1.0 . . . . . . . . . . . . A . 1 LYS H1 . . . . . . . . . c30244_5us3 1 . 9 . 4032 . 1 1 1 LYS H2 H 9.242 2.559 5.937 . . . 1.0 . . . . . . . . . . . . A . 1 LYS H2 . . . . . . . . . c30244_5us3 1 . 9 . 4033 . 1 1 1 LYS H3 H 8.748 1.187 5.080 . . . 1.0 . . . . . . . . . . . . A . 1 LYS H3 . . . . . . . . . c30244_5us3 1 . 9 . 4034 . 1 1 1 LYS HA H 6.671 1.128 6.271 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HA . . . . . . . . . c30244_5us3 1 . 9 . 4035 . 1 1 1 LYS HB2 H 7.843 3.540 7.654 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HB2 . . . . . . . . . c30244_5us3 1 . 9 . 4036 . 1 1 1 LYS HB3 H 6.119 3.199 7.657 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HB3 . . . . . . . . . c30244_5us3 1 . 9 . 4037 . 1 1 1 LYS HD2 H 7.882 3.378 10.142 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HD2 . . . . . . . . . c30244_5us3 1 . 9 . 4038 . 1 1 1 LYS HD3 H 6.151 3.031 10.148 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HD3 . . . . . . . . . c30244_5us3 1 . 9 . 4039 . 1 1 1 LYS HE2 H 6.585 0.895 11.261 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HE2 . . . . . . . . . c30244_5us3 1 . 9 . 4040 . 1 1 1 LYS HE3 H 8.314 1.243 11.254 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HE3 . . . . . . . . . c30244_5us3 1 . 9 . 4041 . 1 1 1 LYS HG2 H 6.542 1.058 8.757 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HG2 . . . . . . . . . c30244_5us3 1 . 9 . 4042 . 1 1 1 LYS HG3 H 8.273 1.400 8.752 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HG3 . . . . . . . . . c30244_5us3 1 . 9 . 4043 . 1 1 1 LYS HZ1 H 7.897 3.169 12.652 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HZ1 . . . . . . . . . c30244_5us3 1 . 9 . 4044 . 1 1 1 LYS HZ2 H 7.318 1.761 13.390 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HZ2 . . . . . . . . . c30244_5us3 1 . 9 . 4045 . 1 1 1 LYS HZ3 H 6.237 2.836 12.658 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HZ3 . . . . . . . . . c30244_5us3 1 . 9 . 4046 . 1 1 1 LYS N N 8.664 1.695 5.984 . . . 1.0 . . . . . . . . . . . . A . 1 LYS N . . . . . . . . . c30244_5us3 1 . 9 . 4047 . 1 1 1 LYS NZ N 7.185 2.413 12.591 . . . 1.0 . . . . . . . . . . . . A . 1 LYS NZ . . . . . . . . . c30244_5us3 1 . 9 . 4048 . 1 1 1 LYS O O 5.564 2.700 4.652 . . . 1.0 . . . . . . . . . . . . A . 1 LYS O . . . . . . . . . c30244_5us3 1 . 9 . 4049 . 1 1 2 TYR C C 7.225 4.228 2.251 . . . 1.0 . . . . . . . . . . . . A . 2 TYR C . . . . . . . . . c30244_5us3 1 . 9 . 4050 . 1 1 2 TYR CA C 7.073 4.867 3.645 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CA . . . . . . . . . c30244_5us3 1 . 9 . 4051 . 1 1 2 TYR CB C 7.922 6.141 3.726 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CB . . . . . . . . . c30244_5us3 1 . 9 . 4052 . 1 1 2 TYR CD1 C 6.620 8.027 4.789 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CD1 . . . . . . . . . c30244_5us3 1 . 9 . 4053 . 1 1 2 TYR CD2 C 8.222 6.874 6.125 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CD2 . . . . . . . . . c30244_5us3 1 . 9 . 4054 . 1 1 2 TYR CE1 C 6.306 8.841 5.861 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CE1 . . . . . . . . . c30244_5us3 1 . 9 . 4055 . 1 1 2 TYR CE2 C 7.913 7.684 7.202 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CE2 . . . . . . . . . c30244_5us3 1 . 9 . 4056 . 1 1 2 TYR CG C 7.581 7.030 4.903 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CG . . . . . . . . . c30244_5us3 1 . 9 . 4057 . 1 1 2 TYR CZ C 6.956 8.666 7.064 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CZ . . . . . . . . . c30244_5us3 1 . 9 . 4058 . 1 1 2 TYR H H 8.348 4.043 5.126 . . . 1.0 . . . . . . . . . . . . A . 2 TYR H . . . . . . . . . c30244_5us3 1 . 9 . 4059 . 1 1 2 TYR HA H 6.037 5.125 3.803 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HA . . . . . . . . . c30244_5us3 1 . 9 . 4060 . 1 1 2 TYR HB2 H 8.962 5.863 3.815 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HB2 . . . . . . . . . c30244_5us3 1 . 9 . 4061 . 1 1 2 TYR HB3 H 7.788 6.717 2.824 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HB3 . . . . . . . . . c30244_5us3 1 . 9 . 4062 . 1 1 2 TYR HD1 H 6.114 8.162 3.845 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HD1 . . . . . . . . . c30244_5us3 1 . 9 . 4063 . 1 1 2 TYR HD2 H 8.972 6.103 6.230 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HD2 . . . . . . . . . c30244_5us3 1 . 9 . 4064 . 1 1 2 TYR HE1 H 5.556 9.610 5.752 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HE1 . . . . . . . . . c30244_5us3 1 . 9 . 4065 . 1 1 2 TYR HE2 H 8.422 7.546 8.145 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HE2 . . . . . . . . . c30244_5us3 1 . 9 . 4066 . 1 1 2 TYR HH H 7.455 9.768 8.558 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HH . . . . . . . . . c30244_5us3 1 . 9 . 4067 . 1 1 2 TYR N N 7.469 3.932 4.707 . . . 1.0 . . . . . . . . . . . . A . 2 TYR N . . . . . . . . . c30244_5us3 1 . 9 . 4068 . 1 1 2 TYR O O 8.089 3.362 2.085 . . . 1.0 . . . . . . . . . . . . A . 2 TYR O . . . . . . . . . c30244_5us3 1 . 9 . 4069 . 1 1 2 TYR OH O 6.645 9.475 8.133 . . . 1.0 . . . . . . . . . . . . A . 2 TYR OH . . . . . . . . . c30244_5us3 1 . 9 . 4070 . 1 1 3 . C C 6.049 2.602 -0.209 . . . 1.0 . . . . . . . . . . . . A . 3 MAA C . . . . . . . . . c30244_5us3 1 . 9 . 4071 . 1 1 3 . CA C 6.466 4.053 -0.163 . . . 1.0 . . . . . . . . . . . . A . 3 MAA CA . . . . . . . . . c30244_5us3 1 . 9 . 4072 . 1 1 3 . CB C 7.877 4.112 -0.715 . . . 1.0 . . . . . . . . . . . . A . 3 MAA CB . . . . . . . . . c30244_5us3 1 . 9 . 4073 . 1 1 3 . CM C 5.307 5.624 1.466 . . . 1.0 . . . . . . . . . . . . A . 3 MAA CM . . . . . . . . . c30244_5us3 1 . 9 . 4074 . 1 1 3 . HA H 5.821 4.605 -0.863 . . . 1.0 . . . . . . . . . . . . A . 3 MAA HA . . . . . . . . . c30244_5us3 1 . 9 . 4075 . 1 1 3 . HB1 H 8.102 5.113 -1.043 . . . 1.0 . . . . . . . . . . . . A . 3 MAA HB1 . . . . . . . . . c30244_5us3 1 . 9 . 4076 . 1 1 3 . HB2 H 7.938 3.423 -1.548 . . . 1.0 . . . . . . . . . . . . A . 3 MAA HB2 . . . . . . . . . c30244_5us3 1 . 9 . 4077 . 1 1 3 . HB3 H 8.571 3.809 0.052 . . . 1.0 . . . . . . . . . . . . A . 3 MAA HB3 . . . . . . . . . c30244_5us3 1 . 9 . 4078 . 1 1 3 . HM1 H 5.717 6.471 1.994 . . . 1.0 . . . . . . . . . . . . A . 3 MAA HM1 . . . . . . . . . c30244_5us3 1 . 9 . 4079 . 1 1 3 . HM2 H 4.525 5.174 2.060 . . . 1.0 . . . . . . . . . . . . A . 3 MAA HM2 . . . . . . . . . c30244_5us3 1 . 9 . 4080 . 1 1 3 . HM3 H 4.894 5.956 0.526 . . . 1.0 . . . . . . . . . . . . A . 3 MAA HM3 . . . . . . . . . c30244_5us3 1 . 9 . 4081 . 1 1 3 . N N 6.378 4.622 1.219 . . . 1.0 . . . . . . . . . . . . A . 3 MAA N . . . . . . . . . c30244_5us3 1 . 9 . 4082 . 1 1 3 . O O 6.212 1.851 0.752 . . . 1.0 . . . . . . . . . . . . A . 3 MAA O . . . . . . . . . c30244_5us3 1 . 9 . 4083 . 1 1 4 CYS C C 6.250 -0.108 -1.865 . . . 1.0 . . . . . . . . . . . . A . 4 CYS C . . . . . . . . . c30244_5us3 1 . 9 . 4084 . 1 1 4 CYS CA C 5.122 0.890 -1.682 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CA . . . . . . . . . c30244_5us3 1 . 9 . 4085 . 1 1 4 CYS CB C 4.270 0.979 -2.904 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CB . . . . . . . . . c30244_5us3 1 . 9 . 4086 . 1 1 4 CYS H H 5.551 2.893 -2.100 . . . 1.0 . . . . . . . . . . . . A . 4 CYS H . . . . . . . . . c30244_5us3 1 . 9 . 4087 . 1 1 4 CYS HA H 4.521 0.524 -0.877 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HA . . . . . . . . . c30244_5us3 1 . 9 . 4088 . 1 1 4 CYS HB2 H 3.317 1.428 -2.648 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB2 . . . . . . . . . c30244_5us3 1 . 9 . 4089 . 1 1 4 CYS HB3 H 4.770 1.599 -3.624 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB3 . . . . . . . . . c30244_5us3 1 . 9 . 4090 . 1 1 4 CYS N N 5.585 2.226 -1.384 . . . 1.0 . . . . . . . . . . . . A . 4 CYS N . . . . . . . . . c30244_5us3 1 . 9 . 4091 . 1 1 4 CYS O O 7.319 0.214 -2.389 . . . 1.0 . . . . . . . . . . . . A . 4 CYS O . . . . . . . . . c30244_5us3 1 . 9 . 4092 . 1 1 4 CYS SG S 3.952 -0.586 -3.684 . . . 1.0 . . . . . . . . . . . . A . 4 CYS SG . . . . . . . . . c30244_5us3 1 . 9 . 4093 . 1 1 5 PRO C C 6.959 -3.284 -2.753 . . . 1.0 . . . . . . . . . . . . A . 5 PRO C . . . . . . . . . c30244_5us3 1 . 9 . 4094 . 1 1 5 PRO CA C 6.942 -2.454 -1.459 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CA . . . . . . . . . c30244_5us3 1 . 9 . 4095 . 1 1 5 PRO CB C 6.416 -3.281 -0.298 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CB . . . . . . . . . c30244_5us3 1 . 9 . 4096 . 1 1 5 PRO CD C 4.706 -1.775 -0.753 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CD . . . . . . . . . c30244_5us3 1 . 9 . 4097 . 1 1 5 PRO CG C 4.947 -3.215 -0.485 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CG . . . . . . . . . c30244_5us3 1 . 9 . 4098 . 1 1 5 PRO HA H 7.936 -2.120 -1.240 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HA . . . . . . . . . c30244_5us3 1 . 9 . 4099 . 1 1 5 PRO HB2 H 6.786 -4.294 -0.346 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HB2 . . . . . . . . . c30244_5us3 1 . 9 . 4100 . 1 1 5 PRO HB3 H 6.680 -2.806 0.631 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HB3 . . . . . . . . . c30244_5us3 1 . 9 . 4101 . 1 1 5 PRO HD2 H 3.859 -1.645 -1.413 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HD2 . . . . . . . . . c30244_5us3 1 . 9 . 4102 . 1 1 5 PRO HD3 H 4.554 -1.243 0.175 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HD3 . . . . . . . . . c30244_5us3 1 . 9 . 4103 . 1 1 5 PRO HG2 H 4.656 -3.806 -1.346 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HG2 . . . . . . . . . c30244_5us3 1 . 9 . 4104 . 1 1 5 PRO HG3 H 4.428 -3.527 0.404 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HG3 . . . . . . . . . c30244_5us3 1 . 9 . 4105 . 1 1 5 PRO N N 5.983 -1.349 -1.414 . . . 1.0 . . . . . . . . . . . . A . 5 PRO N . . . . . . . . . c30244_5us3 1 . 9 . 4106 . 1 1 5 PRO O O 7.961 -3.946 -3.038 . . . 1.0 . . . . . . . . . . . . A . 5 PRO O . . . . . . . . . c30244_5us3 1 . 9 . 4107 . 1 1 6 GLU C C 5.410 -3.281 -6.001 . . . 1.0 . . . . . . . . . . . . A . 6 GLU C . . . . . . . . . c30244_5us3 1 . 9 . 4108 . 1 1 6 GLU CA C 5.814 -4.074 -4.761 . . . 1.0 . . . . . . . . . . . . A . 6 GLU CA . . . . . . . . . c30244_5us3 1 . 9 . 4109 . 1 1 6 GLU CB C 4.911 -5.322 -4.620 . . . 1.0 . . . . . . . . . . . . A . 6 GLU CB . . . . . . . . . c30244_5us3 1 . 9 . 4110 . 1 1 6 GLU CD C 4.343 -7.292 -3.137 . . . 1.0 . . . . . . . . . . . . A . 6 GLU CD . . . . . . . . . c30244_5us3 1 . 9 . 4111 . 1 1 6 GLU CG C 4.704 -5.820 -3.194 . . . 1.0 . . . . . . . . . . . . A . 6 GLU CG . . . . . . . . . c30244_5us3 1 . 9 . 4112 . 1 1 6 GLU H H 5.118 -2.637 -3.293 . . . 1.0 . . . . . . . . . . . . A . 6 GLU H . . . . . . . . . c30244_5us3 1 . 9 . 4113 . 1 1 6 GLU HA H 6.819 -4.423 -4.924 . . . 1.0 . . . . . . . . . . . . A . 6 GLU HA . . . . . . . . . c30244_5us3 1 . 9 . 4114 . 1 1 6 GLU HB2 H 3.944 -5.105 -5.042 . . . 1.0 . . . . . . . . . . . . A . 6 GLU HB2 . . . . . . . . . c30244_5us3 1 . 9 . 4115 . 1 1 6 GLU HB3 H 5.354 -6.128 -5.189 . . . 1.0 . . . . . . . . . . . . A . 6 GLU HB3 . . . . . . . . . c30244_5us3 1 . 9 . 4116 . 1 1 6 GLU HG2 H 5.612 -5.662 -2.634 . . . 1.0 . . . . . . . . . . . . A . 6 GLU HG2 . . . . . . . . . c30244_5us3 1 . 9 . 4117 . 1 1 6 GLU HG3 H 3.901 -5.252 -2.747 . . . 1.0 . . . . . . . . . . . . A . 6 GLU HG3 . . . . . . . . . c30244_5us3 1 . 9 . 4118 . 1 1 6 GLU N N 5.868 -3.249 -3.529 . . . 1.0 . . . . . . . . . . . . A . 6 GLU N . . . . . . . . . c30244_5us3 1 . 9 . 4119 . 1 1 6 GLU O O 5.663 -3.730 -7.124 . . . 1.0 . . . . . . . . . . . . A . 6 GLU O . . . . . . . . . c30244_5us3 1 . 9 . 4120 . 1 1 6 GLU OE1 O 3.136 -7.609 -3.177 . . . 1.0 . . . . . . . . . . . . A . 6 GLU OE1 . . . . . . . . . c30244_5us3 1 . 9 . 4121 . 1 1 6 GLU OE2 O 5.268 -8.126 -3.052 . . . 1.0 . . . . . . . . . . . . A . 6 GLU OE2 . . . . . . . . . c30244_5us3 1 . 9 . 4122 . 1 1 7 CYS C C 4.681 0.218 -6.724 . . . 1.0 . . . . . . . . . . . . A . 7 CYS C . . . . . . . . . c30244_5us3 1 . 9 . 4123 . 1 1 7 CYS CA C 4.392 -1.277 -6.956 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CA . . . . . . . . . c30244_5us3 1 . 9 . 4124 . 1 1 7 CYS CB C 2.940 -1.496 -7.427 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CB . . . . . . . . . c30244_5us3 1 . 9 . 4125 . 1 1 7 CYS H H 4.643 -1.795 -4.891 . . . 1.0 . . . . . . . . . . . . A . 7 CYS H . . . . . . . . . c30244_5us3 1 . 9 . 4126 . 1 1 7 CYS HA H 5.026 -1.606 -7.751 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HA . . . . . . . . . c30244_5us3 1 . 9 . 4127 . 1 1 7 CYS HB2 H 2.889 -1.223 -8.465 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB2 . . . . . . . . . c30244_5us3 1 . 9 . 4128 . 1 1 7 CYS HB3 H 2.691 -2.538 -7.321 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB3 . . . . . . . . . c30244_5us3 1 . 9 . 4129 . 1 1 7 CYS N N 4.789 -2.111 -5.811 . . . 1.0 . . . . . . . . . . . . A . 7 CYS N . . . . . . . . . c30244_5us3 1 . 9 . 4130 . 1 1 7 CYS O O 4.109 0.826 -5.831 . . . 1.0 . . . . . . . . . . . . A . 7 CYS O . . . . . . . . . c30244_5us3 1 . 9 . 4131 . 1 1 7 CYS SG S 1.648 -0.530 -6.597 . . . 1.0 . . . . . . . . . . . . A . 7 CYS SG . . . . . . . . . c30244_5us3 1 . 9 . 4132 . 1 1 8 PRO C C 4.837 3.284 -7.512 . . . 1.0 . . . . . . . . . . . . A . 8 PRO C . . . . . . . . . c30244_5us3 1 . 9 . 4133 . 1 1 8 PRO CA C 5.987 2.255 -7.495 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CA . . . . . . . . . c30244_5us3 1 . 9 . 4134 . 1 1 8 PRO CB C 6.874 2.422 -8.738 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CB . . . . . . . . . c30244_5us3 1 . 9 . 4135 . 1 1 8 PRO CD C 6.270 0.126 -8.646 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CD . . . . . . . . . c30244_5us3 1 . 9 . 4136 . 1 1 8 PRO CG C 7.377 1.060 -9.036 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CG . . . . . . . . . c30244_5us3 1 . 9 . 4137 . 1 1 8 PRO HA H 6.587 2.431 -6.613 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HA . . . . . . . . . c30244_5us3 1 . 9 . 4138 . 1 1 8 PRO HB2 H 6.282 2.806 -9.560 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HB2 . . . . . . . . . c30244_5us3 1 . 9 . 4139 . 1 1 8 PRO HB3 H 7.696 3.086 -8.524 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HB3 . . . . . . . . . c30244_5us3 1 . 9 . 4140 . 1 1 8 PRO HD2 H 5.597 -0.038 -9.467 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HD2 . . . . . . . . . c30244_5us3 1 . 9 . 4141 . 1 1 8 PRO HD3 H 6.670 -0.807 -8.283 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HD3 . . . . . . . . . c30244_5us3 1 . 9 . 4142 . 1 1 8 PRO HG2 H 7.598 0.972 -10.091 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HG2 . . . . . . . . . c30244_5us3 1 . 9 . 4143 . 1 1 8 PRO HG3 H 8.257 0.854 -8.446 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HG3 . . . . . . . . . c30244_5us3 1 . 9 . 4144 . 1 1 8 PRO N N 5.572 0.824 -7.565 . . . 1.0 . . . . . . . . . . . . A . 8 PRO N . . . . . . . . . c30244_5us3 1 . 9 . 4145 . 1 1 8 PRO O O 4.914 4.317 -8.192 . . . 1.0 . . . . . . . . . . . . A . 8 PRO O . . . . . . . . . c30244_5us3 1 . 9 . 4146 . 1 1 9 LYS C C 2.994 5.123 -5.743 . . . 1.0 . . . . . . . . . . . . A . 9 LYS C . . . . . . . . . c30244_5us3 1 . 9 . 4147 . 1 1 9 LYS CA C 2.639 3.888 -6.590 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CA . . . . . . . . . c30244_5us3 1 . 9 . 4148 . 1 1 9 LYS CB C 1.426 3.095 -6.073 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CB . . . . . . . . . c30244_5us3 1 . 9 . 4149 . 1 1 9 LYS CD C -0.296 2.938 -7.917 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CD . . . . . . . . . c30244_5us3 1 . 9 . 4150 . 1 1 9 LYS CE C -1.632 3.445 -8.434 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CE . . . . . . . . . c30244_5us3 1 . 9 . 4151 . 1 1 9 LYS CG C 0.083 3.604 -6.601 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CG . . . . . . . . . c30244_5us3 1 . 9 . 4152 . 1 1 9 LYS H H 3.764 2.146 -6.265 . . . 1.0 . . . . . . . . . . . . A . 9 LYS H . . . . . . . . . c30244_5us3 1 . 9 . 4153 . 1 1 9 LYS HA H 2.411 4.252 -7.515 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HA . . . . . . . . . c30244_5us3 1 . 9 . 4154 . 1 1 9 LYS HB2 H 1.536 2.067 -6.386 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB2 . . . . . . . . . c30244_5us3 1 . 9 . 4155 . 1 1 9 LYS HB3 H 1.413 3.127 -4.998 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB3 . . . . . . . . . c30244_5us3 1 . 9 . 4156 . 1 1 9 LYS HD2 H 0.467 3.151 -8.651 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD2 . . . . . . . . . c30244_5us3 1 . 9 . 4157 . 1 1 9 LYS HD3 H -0.361 1.870 -7.764 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD3 . . . . . . . . . c30244_5us3 1 . 9 . 4158 . 1 1 9 LYS HE2 H -2.393 3.235 -7.698 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE2 . . . . . . . . . c30244_5us3 1 . 9 . 4159 . 1 1 9 LYS HE3 H -1.563 4.513 -8.584 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE3 . . . . . . . . . c30244_5us3 1 . 9 . 4160 . 1 1 9 LYS HG2 H -0.688 3.395 -5.874 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG2 . . . . . . . . . c30244_5us3 1 . 9 . 4161 . 1 1 9 LYS HG3 H 0.150 4.670 -6.758 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG3 . . . . . . . . . c30244_5us3 1 . 9 . 4162 . 1 1 9 LYS HZ1 H -1.291 2.993 -10.446 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ1 . . . . . . . . . c30244_5us3 1 . 9 . 4163 . 1 1 9 LYS HZ2 H -2.926 3.169 -10.050 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ2 . . . . . . . . . c30244_5us3 1 . 9 . 4164 . 1 1 9 LYS HZ3 H -2.093 1.770 -9.594 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ3 . . . . . . . . . c30244_5us3 1 . 9 . 4165 . 1 1 9 LYS N N 3.782 3.000 -6.740 . . . 1.0 . . . . . . . . . . . . A . 9 LYS N . . . . . . . . . c30244_5us3 1 . 9 . 4166 . 1 1 9 LYS NZ N -2.012 2.799 -9.721 . . . 1.0 . . . . . . . . . . . . A . 9 LYS NZ . . . . . . . . . c30244_5us3 1 . 9 . 4167 . 1 1 9 LYS O O 2.526 6.214 -6.064 . . . 1.0 . . . . . . . . . . . . A . 9 LYS O . . . . . . . . . c30244_5us3 1 . 9 . 4168 . 1 1 10 MMO C C 3.482 7.290 -3.693 . . . 1.0 . . . . . . . . . . . . A . 10 MMO C . . . . . . . . . c30244_5us3 1 . 9 . 4169 . 1 1 10 MMO CA C 4.330 6.025 -3.776 . . . 1.0 . . . . . . . . . . . . A . 10 MMO CA . . . . . . . . . c30244_5us3 1 . 9 . 4170 . 1 1 10 MMO CB C 5.740 6.333 -4.300 . . . 1.0 . . . . . . . . . . . . A . 10 MMO CB . . . . . . . . . c30244_5us3 1 . 9 . 4171 . 1 1 10 MMO CD C 8.103 5.792 -3.722 . . . 1.0 . . . . . . . . . . . . A . 10 MMO CD . . . . . . . . . c30244_5us3 1 . 9 . 4172 . 1 1 10 MMO CG C 6.815 6.446 -3.240 . . . 1.0 . . . . . . . . . . . . A . 10 MMO CG . . . . . . . . . c30244_5us3 1 . 9 . 4173 . 1 1 10 MMO CN C 4.229 3.608 -4.267 . . . 1.0 . . . . . . . . . . . . A . 10 MMO CN . . . . . . . . . c30244_5us3 1 . 9 . 4174 . 1 1 10 MMO CZ C 8.986 3.512 -4.200 . . . 1.0 . . . . . . . . . . . . A . 10 MMO CZ . . . . . . . . . c30244_5us3 1 . 9 . 4175 . 1 1 10 MMO HA H 4.387 5.596 -2.809 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HA . . . . . . . . . c30244_5us3 1 . 9 . 4176 . 1 1 10 MMO HC1 H 5.286 3.477 -4.442 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HC1 . . . . . . . . . c30244_5us3 1 . 9 . 4177 . 1 1 10 MMO HC2 H 3.670 2.895 -4.855 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HC2 . . . . . . . . . c30244_5us3 1 . 9 . 4178 . 1 1 10 MMO HC3 H 4.013 3.467 -3.219 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HC3 . . . . . . . . . c30244_5us3 1 . 9 . 4179 . 1 1 10 MMO HCB1 H 5.712 7.253 -4.856 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HCB1 . . . . . . . . . c30244_5us3 1 . 9 . 4180 . 1 1 10 MMO HCB2 H 6.029 5.534 -4.954 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HCB2 . . . . . . . . . c30244_5us3 1 . 9 . 4181 . 1 1 10 MMO HCD1 H 8.896 6.042 -3.037 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HCD1 . . . . . . . . . c30244_5us3 1 . 9 . 4182 . 1 1 10 MMO HCD2 H 8.335 6.178 -4.702 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HCD2 . . . . . . . . . c30244_5us3 1 . 9 . 4183 . 1 1 10 MMO HCG1 H 6.485 5.954 -2.343 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HCG1 . . . . . . . . . c30244_5us3 1 . 9 . 4184 . 1 1 10 MMO HCG2 H 7.005 7.489 -3.033 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HCG2 . . . . . . . . . c30244_5us3 1 . 9 . 4185 . 1 1 10 MMO HH11 H 10.908 3.367 -4.826 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HH11 . . . . . . . . . c30244_5us3 1 . 9 . 4186 . 1 1 10 MMO HH12 H 10.352 4.976 -4.509 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HH12 . . . . . . . . . c30244_5us3 1 . 9 . 4187 . 1 1 10 MMO HH21 H 7.882 1.831 -3.997 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HH21 . . . . . . . . . c30244_5us3 1 . 9 . 4188 . 1 1 10 MMO HH22 H 9.510 1.589 -4.536 . . . 1.0 . . . . . . . . . . . . A . 10 MMO HH22 . . . . . . . . . c30244_5us3 1 . 9 . 4189 . 1 1 10 MMO N N 3.831 4.958 -4.666 . . . 1.0 . . . . . . . . . . . . A . 10 MMO N . . . . . . . . . c30244_5us3 1 . 9 . 4190 . 1 1 10 MMO NE N 7.996 4.328 -3.814 . . . 1.0 . . . . . . . . . . . . A . 10 MMO NE . . . . . . . . . c30244_5us3 1 . 9 . 4191 . 1 1 10 MMO NH1 N 10.181 3.992 -4.540 . . . 1.0 . . . . . . . . . . . . A . 10 MMO NH1 . . . . . . . . . c30244_5us3 1 . 9 . 4192 . 1 1 10 MMO NH2 N 8.776 2.203 -4.248 . . . 1.0 . . . . . . . . . . . . A . 10 MMO NH2 . . . . . . . . . c30244_5us3 1 . 9 . 4193 . 1 1 10 MMO O O 3.176 7.930 -4.703 . . . 1.0 . . . . . . . . . . . . A . 10 MMO O . . . . . . . . . c30244_5us3 1 . 9 . 4194 . 1 1 11 PHE C C 2.877 9.764 -1.207 . . . 1.0 . . . . . . . . . . . . A . 11 PHE C . . . . . . . . . c30244_5us3 1 . 9 . 4195 . 1 1 11 PHE CA C 2.261 8.778 -2.196 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CA . . . . . . . . . c30244_5us3 1 . 9 . 4196 . 1 1 11 PHE CB C 0.914 8.180 -1.691 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CB . . . . . . . . . c30244_5us3 1 . 9 . 4197 . 1 1 11 PHE CD1 C 0.732 6.218 -3.264 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CD1 . . . . . . . . . c30244_5us3 1 . 9 . 4198 . 1 1 11 PHE CD2 C 0.906 5.751 -0.933 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CD2 . . . . . . . . . c30244_5us3 1 . 9 . 4199 . 1 1 11 PHE CE1 C 0.724 4.881 -3.538 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CE1 . . . . . . . . . c30244_5us3 1 . 9 . 4200 . 1 1 11 PHE CE2 C 0.879 4.404 -1.215 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CE2 . . . . . . . . . c30244_5us3 1 . 9 . 4201 . 1 1 11 PHE CG C 0.821 6.686 -1.960 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CG . . . . . . . . . c30244_5us3 1 . 9 . 4202 . 1 1 11 PHE CZ C 0.787 3.972 -2.531 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CZ . . . . . . . . . c30244_5us3 1 . 9 . 4203 . 1 1 11 PHE H H 3.545 7.188 -1.696 . . . 1.0 . . . . . . . . . . . . A . 11 PHE H . . . . . . . . . c30244_5us3 1 . 9 . 4204 . 1 1 11 PHE HA H 2.087 9.288 -3.130 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HA . . . . . . . . . c30244_5us3 1 . 9 . 4205 . 1 1 11 PHE HB2 H 0.825 8.338 -0.627 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HB2 . . . . . . . . . c30244_5us3 1 . 9 . 4206 . 1 1 11 PHE HB3 H 0.092 8.664 -2.198 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HB3 . . . . . . . . . c30244_5us3 1 . 9 . 4207 . 1 1 11 PHE HD1 H 0.675 6.922 -4.073 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HD1 . . . . . . . . . c30244_5us3 1 . 9 . 4208 . 1 1 11 PHE HD2 H 1.005 6.075 0.093 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HD2 . . . . . . . . . c30244_5us3 1 . 9 . 4209 . 1 1 11 PHE HE1 H 0.692 4.536 -4.564 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HE1 . . . . . . . . . c30244_5us3 1 . 9 . 4210 . 1 1 11 PHE HE2 H 0.916 3.695 -0.407 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HE2 . . . . . . . . . c30244_5us3 1 . 9 . 4211 . 1 1 11 PHE HZ H 0.784 2.919 -2.781 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HZ . . . . . . . . . c30244_5us3 1 . 9 . 4212 . 1 1 11 PHE N N 3.158 7.665 -2.457 . . . 1.0 . . . . . . . . . . . . A . 11 PHE N . . . . . . . . . c30244_5us3 1 . 9 . 4213 . 1 1 11 PHE O O 3.523 10.730 -1.622 . . . 1.0 . . . . . . . . . . . . A . 11 PHE O . . . . . . . . . c30244_5us3 1 . 9 . 4214 . 1 1 12 NLE C C 2.807 9.812 2.540 . . . 1.0 . . . . . . . . . . . . A . 12 NLE C . . . . . . . . . c30244_5us3 1 . 9 . 4215 . 1 1 12 NLE CA C 3.210 10.365 1.171 . . . 1.0 . . . . . . . . . . . . A . 12 NLE CA . . . . . . . . . c30244_5us3 1 . 9 . 4216 . 1 1 12 NLE CB C 2.685 11.810 1.018 . . . 1.0 . . . . . . . . . . . . A . 12 NLE CB . . . . . . . . . c30244_5us3 1 . 9 . 4217 . 1 1 12 NLE CD C 3.522 13.271 2.907 . . . 1.0 . . . . . . . . . . . . A . 12 NLE CD . . . . . . . . . c30244_5us3 1 . 9 . 4218 . 1 1 12 NLE CE C 4.528 14.336 3.283 . . . 1.0 . . . . . . . . . . . . A . 12 NLE CE . . . . . . . . . c30244_5us3 1 . 9 . 4219 . 1 1 12 NLE CG C 3.673 12.900 1.437 . . . 1.0 . . . . . . . . . . . . A . 12 NLE CG . . . . . . . . . c30244_5us3 1 . 9 . 4220 . 1 1 12 NLE H H 2.178 8.710 0.348 . . . 1.0 . . . . . . . . . . . . A . 12 NLE H . . . . . . . . . c30244_5us3 1 . 9 . 4221 . 1 1 12 NLE HA H 4.288 10.368 1.098 . . . 1.0 . . . . . . . . . . . . A . 12 NLE HA . . . . . . . . . c30244_5us3 1 . 9 . 4222 . 1 1 12 NLE HB2 H 1.791 11.915 1.613 . . . 1.0 . . . . . . . . . . . . A . 12 NLE HB2 . . . . . . . . . c30244_5us3 1 . 9 . 4223 . 1 1 12 NLE HB3 H 2.432 11.966 -0.021 . . . 1.0 . . . . . . . . . . . . A . 12 NLE HB3 . . . . . . . . . c30244_5us3 1 . 9 . 4224 . 1 1 12 NLE HD2 H 3.693 12.397 3.518 . . . 1.0 . . . . . . . . . . . . A . 12 NLE HD2 . . . . . . . . . c30244_5us3 1 . 9 . 4225 . 1 1 12 NLE HD3 H 2.527 13.657 3.080 . . . 1.0 . . . . . . . . . . . . A . 12 NLE HD3 . . . . . . . . . c30244_5us3 1 . 9 . 4226 . 1 1 12 NLE HE1 H 4.411 14.588 4.327 . . . 1.0 . . . . . . . . . . . . A . 12 NLE HE1 . . . . . . . . . c30244_5us3 1 . 9 . 4227 . 1 1 12 NLE HE2 H 4.364 15.217 2.680 . . . 1.0 . . . . . . . . . . . . A . 12 NLE HE2 . . . . . . . . . c30244_5us3 1 . 9 . 4228 . 1 1 12 NLE HE3 H 5.527 13.964 3.113 . . . 1.0 . . . . . . . . . . . . A . 12 NLE HE3 . . . . . . . . . c30244_5us3 1 . 9 . 4229 . 1 1 12 NLE HG2 H 3.496 13.781 0.837 . . . 1.0 . . . . . . . . . . . . A . 12 NLE HG2 . . . . . . . . . c30244_5us3 1 . 9 . 4230 . 1 1 12 NLE HG3 H 4.679 12.549 1.270 . . . 1.0 . . . . . . . . . . . . A . 12 NLE HG3 . . . . . . . . . c30244_5us3 1 . 9 . 4231 . 1 1 12 NLE N N 2.687 9.508 0.099 . . . 1.0 . . . . . . . . . . . . A . 12 NLE N . . . . . . . . . c30244_5us3 1 . 9 . 4232 . 1 1 12 NLE O O 3.208 10.355 3.576 . . . 1.0 . . . . . . . . . . . . A . 12 NLE O . . . . . . . . . c30244_5us3 1 . 9 . 4233 . 1 1 13 ARG C C 1.941 6.653 3.848 . . . 1.0 . . . . . . . . . . . . A . 13 ARG C . . . . . . . . . c30244_5us3 1 . 9 . 4234 . 1 1 13 ARG CA C 1.573 8.120 3.791 . . . 1.0 . . . . . . . . . . . . A . 13 ARG CA . . . . . . . . . c30244_5us3 1 . 9 . 4235 . 1 1 13 ARG CB C 0.063 8.296 3.945 . . . 1.0 . . . . . . . . . . . . A . 13 ARG CB . . . . . . . . . c30244_5us3 1 . 9 . 4236 . 1 1 13 ARG CD C -1.845 9.765 4.656 . . . 1.0 . . . . . . . . . . . . A . 13 ARG CD . . . . . . . . . c30244_5us3 1 . 9 . 4237 . 1 1 13 ARG CG C -0.346 9.679 4.425 . . . 1.0 . . . . . . . . . . . . A . 13 ARG CG . . . . . . . . . c30244_5us3 1 . 9 . 4238 . 1 1 13 ARG CZ C -3.531 11.511 5.208 . . . 1.0 . . . . . . . . . . . . A . 13 ARG CZ . . . . . . . . . c30244_5us3 1 . 9 . 4239 . 1 1 13 ARG H H 1.789 8.281 1.686 . . . 1.0 . . . . . . . . . . . . A . 13 ARG H . . . . . . . . . c30244_5us3 1 . 9 . 4240 . 1 1 13 ARG HA H 2.068 8.631 4.602 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HA . . . . . . . . . c30244_5us3 1 . 9 . 4241 . 1 1 13 ARG HB2 H -0.403 8.122 2.988 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HB2 . . . . . . . . . c30244_5us3 1 . 9 . 4242 . 1 1 13 ARG HB3 H -0.304 7.567 4.653 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HB3 . . . . . . . . . c30244_5us3 1 . 9 . 4243 . 1 1 13 ARG HD2 H -2.352 9.528 3.732 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HD2 . . . . . . . . . c30244_5us3 1 . 9 . 4244 . 1 1 13 ARG HD3 H -2.121 9.046 5.413 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HD3 . . . . . . . . . c30244_5us3 1 . 9 . 4245 . 1 1 13 ARG HE H -1.546 11.738 5.320 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HE . . . . . . . . . c30244_5us3 1 . 9 . 4246 . 1 1 13 ARG HG2 H 0.164 9.893 5.354 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HG2 . . . . . . . . . c30244_5us3 1 . 9 . 4247 . 1 1 13 ARG HG3 H -0.061 10.407 3.680 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HG3 . . . . . . . . . c30244_5us3 1 . 9 . 4248 . 1 1 13 ARG HH11 H -4.363 9.763 4.610 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HH11 . . . . . . . . . c30244_5us3 1 . 9 . 4249 . 1 1 13 ARG HH12 H -5.486 11.018 5.009 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HH12 . . . . . . . . . c30244_5us3 1 . 9 . 4250 . 1 1 13 ARG HH21 H -4.735 13.056 5.703 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HH21 . . . . . . . . . c30244_5us3 1 . 9 . 4251 . 1 1 13 ARG HH22 H -3.036 13.367 5.836 . . . 1.0 . . . . . . . . . . . . A . 13 ARG HH22 . . . . . . . . . c30244_5us3 1 . 9 . 4252 . 1 1 13 ARG N N 2.033 8.716 2.544 . . . 1.0 . . . . . . . . . . . . A . 13 ARG N . . . . . . . . . c30244_5us3 1 . 9 . 4253 . 1 1 13 ARG NE N -2.258 11.103 5.095 . . . 1.0 . . . . . . . . . . . . A . 13 ARG NE . . . . . . . . . c30244_5us3 1 . 9 . 4254 . 1 1 13 ARG NH1 N -4.544 10.696 4.918 . . . 1.0 . . . . . . . . . . . . A . 13 ARG NH1 . . . . . . . . . c30244_5us3 1 . 9 . 4255 . 1 1 13 ARG NH2 N -3.789 12.746 5.616 . . . 1.0 . . . . . . . . . . . . A . 13 ARG NH2 . . . . . . . . . c30244_5us3 1 . 9 . 4256 . 1 1 13 ARG O O 1.808 5.931 2.855 . . . 1.0 . . . . . . . . . . . . A . 13 ARG O . . . . . . . . . c30244_5us3 1 . 9 . 4257 . 1 1 14 SER C C 1.642 3.995 5.748 . . . 1.0 . . . . . . . . . . . . A . 14 SER C . . . . . . . . . c30244_5us3 1 . 9 . 4258 . 1 1 14 SER CA C 2.807 4.837 5.229 . . . 1.0 . . . . . . . . . . . . A . 14 SER CA . . . . . . . . . c30244_5us3 1 . 9 . 4259 . 1 1 14 SER CB C 3.980 4.765 6.208 . . . 1.0 . . . . . . . . . . . . A . 14 SER CB . . . . . . . . . c30244_5us3 1 . 9 . 4260 . 1 1 14 SER H H 2.474 6.855 5.765 . . . 1.0 . . . . . . . . . . . . A . 14 SER H . . . . . . . . . c30244_5us3 1 . 9 . 4261 . 1 1 14 SER HA H 3.120 4.447 4.268 . . . 1.0 . . . . . . . . . . . . A . 14 SER HA . . . . . . . . . c30244_5us3 1 . 9 . 4262 . 1 1 14 SER HB2 H 3.649 5.076 7.187 . . . 1.0 . . . . . . . . . . . . A . 14 SER HB2 . . . . . . . . . c30244_5us3 1 . 9 . 4263 . 1 1 14 SER HB3 H 4.343 3.749 6.256 . . . 1.0 . . . . . . . . . . . . A . 14 SER HB3 . . . . . . . . . c30244_5us3 1 . 9 . 4264 . 1 1 14 SER HG H 5.002 6.434 6.287 . . . 1.0 . . . . . . . . . . . . A . 14 SER HG . . . . . . . . . c30244_5us3 1 . 9 . 4265 . 1 1 14 SER N N 2.404 6.222 5.020 . . . 1.0 . . . . . . . . . . . . A . 14 SER N . . . . . . . . . c30244_5us3 1 . 9 . 4266 . 1 1 14 SER O O 1.478 2.844 5.337 . . . 1.0 . . . . . . . . . . . . A . 14 SER O . . . . . . . . . c30244_5us3 1 . 9 . 4267 . 1 1 14 SER OG O 5.042 5.610 5.799 . . . 1.0 . . . . . . . . . . . . A . 14 SER OG . . . . . . . . . c30244_5us3 1 . 9 . 4268 . 1 1 15 B3D C C -2.210 4.294 5.597 . . . 1.0 . . . . . . . . . . . . A . 15 B3D C . . . . . . . . . c30244_5us3 1 . 9 . 4269 . 1 1 15 B3D CA C -1.592 4.654 6.920 . . . 1.0 . . . . . . . . . . . . A . 15 B3D CA . . . . . . . . . c30244_5us3 1 . 9 . 4270 . 1 1 15 B3D CB C -0.293 3.894 7.214 . . . 1.0 . . . . . . . . . . . . A . 15 B3D CB . . . . . . . . . c30244_5us3 1 . 9 . 4271 . 1 1 15 B3D CD C 1.037 2.988 9.196 . . . 1.0 . . . . . . . . . . . . A . 15 B3D CD . . . . . . . . . c30244_5us3 1 . 9 . 4272 . 1 1 15 B3D CG C -0.149 3.827 8.750 . . . 1.0 . . . . . . . . . . . . A . 15 B3D CG . . . . . . . . . c30244_5us3 1 . 9 . 4273 . 1 1 15 B3D H H 1.046 5.489 6.952 . . . 1.0 . . . . . . . . . . . . A . 15 B3D H . . . . . . . . . c30244_5us3 1 . 9 . 4274 . 1 1 15 B3D HA1 H -1.383 5.714 6.917 . . . 1.0 . . . . . . . . . . . . A . 15 B3D HA1 . . . . . . . . . c30244_5us3 1 . 9 . 4275 . 1 1 15 B3D HA2 H -2.311 4.440 7.696 . . . 1.0 . . . . . . . . . . . . A . 15 B3D HA2 . . . . . . . . . c30244_5us3 1 . 9 . 4276 . 1 1 15 B3D HB H -0.312 2.894 6.734 . . . 1.0 . . . . . . . . . . . . A . 15 B3D HB . . . . . . . . . c30244_5us3 1 . 9 . 4277 . 1 1 15 B3D HG2 H -1.045 3.396 9.172 . . . 1.0 . . . . . . . . . . . . A . 15 B3D HG2 . . . . . . . . . c30244_5us3 1 . 9 . 4278 . 1 1 15 B3D HG3 H -0.021 4.826 9.136 . . . 1.0 . . . . . . . . . . . . A . 15 B3D HG3 . . . . . . . . . c30244_5us3 1 . 9 . 4279 . 1 1 15 B3D N N 0.846 4.575 6.657 . . . 1.0 . . . . . . . . . . . . A . 15 B3D N . . . . . . . . . c30244_5us3 1 . 9 . 4280 . 1 1 15 B3D O O -2.731 3.180 5.412 . . . 1.0 . . . . . . . . . . . . A . 15 B3D O . . . . . . . . . c30244_5us3 1 . 9 . 4281 . 1 1 15 B3D OE1 O 0.832 1.807 9.547 . . . 1.0 . . . . . . . . . . . . A . 15 B3D OE1 . . . . . . . . . c30244_5us3 1 . 9 . 4282 . 1 1 15 B3D OE2 O 2.170 3.513 9.193 . . . 1.0 . . . . . . . . . . . . A . 15 B3D OE2 . . . . . . . . . c30244_5us3 1 . 9 . 4283 . 1 1 16 HIS C C -2.038 3.894 2.576 . . . 1.0 . . . . . . . . . . . . A . 16 HIS C . . . . . . . . . c30244_5us3 1 . 9 . 4284 . 1 1 16 HIS CA C -2.662 5.092 3.296 . . . 1.0 . . . . . . . . . . . . A . 16 HIS CA . . . . . . . . . c30244_5us3 1 . 9 . 4285 . 1 1 16 HIS CB C -2.442 6.372 2.482 . . . 1.0 . . . . . . . . . . . . A . 16 HIS CB . . . . . . . . . c30244_5us3 1 . 9 . 4286 . 1 1 16 HIS CD2 C -3.537 6.025 0.154 . . . 1.0 . . . . . . . . . . . . A . 16 HIS CD2 . . . . . . . . . c30244_5us3 1 . 9 . 4287 . 1 1 16 HIS CE1 C -5.219 7.414 0.380 . . . 1.0 . . . . . . . . . . . . A . 16 HIS CE1 . . . . . . . . . c30244_5us3 1 . 9 . 4288 . 1 1 16 HIS CG C -3.446 6.578 1.387 . . . 1.0 . . . . . . . . . . . . A . 16 HIS CG . . . . . . . . . c30244_5us3 1 . 9 . 4289 . 1 1 16 HIS H H -1.667 6.088 4.879 . . . 1.0 . . . . . . . . . . . . A . 16 HIS H . . . . . . . . . c30244_5us3 1 . 9 . 4290 . 1 1 16 HIS HA H -3.724 4.919 3.390 . . . 1.0 . . . . . . . . . . . . A . 16 HIS HA . . . . . . . . . c30244_5us3 1 . 9 . 4291 . 1 1 16 HIS HB2 H -2.497 7.222 3.144 . . . 1.0 . . . . . . . . . . . . A . 16 HIS HB2 . . . . . . . . . c30244_5us3 1 . 9 . 4292 . 1 1 16 HIS HB3 H -1.461 6.336 2.031 . . . 1.0 . . . . . . . . . . . . A . 16 HIS HB3 . . . . . . . . . c30244_5us3 1 . 9 . 4293 . 1 1 16 HIS HD1 H -4.725 7.995 2.279 . . . 1.0 . . . . . . . . . . . . A . 16 HIS HD1 . . . . . . . . . c30244_5us3 1 . 9 . 4294 . 1 1 16 HIS HD2 H -2.862 5.299 -0.276 . . . 1.0 . . . . . . . . . . . . A . 16 HIS HD2 . . . . . . . . . c30244_5us3 1 . 9 . 4295 . 1 1 16 HIS HE1 H -6.112 7.990 0.181 . . . 1.0 . . . . . . . . . . . . A . 16 HIS HE1 . . . . . . . . . c30244_5us3 1 . 9 . 4296 . 1 1 16 HIS HE2 H -4.915 6.417 -1.383 . . . 1.0 . . . . . . . . . . . . A . 16 HIS HE2 . . . . . . . . . c30244_5us3 1 . 9 . 4297 . 1 1 16 HIS N N -2.118 5.248 4.653 . . . 1.0 . . . . . . . . . . . . A . 16 HIS N . . . . . . . . . c30244_5us3 1 . 9 . 4298 . 1 1 16 HIS ND1 N -4.515 7.443 1.497 . . . 1.0 . . . . . . . . . . . . A . 16 HIS ND1 . . . . . . . . . c30244_5us3 1 . 9 . 4299 . 1 1 16 HIS NE2 N -4.648 6.563 -0.451 . . . 1.0 . . . . . . . . . . . . A . 16 HIS NE2 . . . . . . . . . c30244_5us3 1 . 9 . 4300 . 1 1 16 HIS O O -2.735 3.192 1.848 . . . 1.0 . . . . . . . . . . . . A . 16 HIS O . . . . . . . . . c30244_5us3 1 . 9 . 4301 . 1 1 17 LEU C C -0.329 1.246 2.902 . . . 1.0 . . . . . . . . . . . . A . 17 LEU C . . . . . . . . . c30244_5us3 1 . 9 . 4302 . 1 1 17 LEU CA C -0.027 2.550 2.165 . . . 1.0 . . . . . . . . . . . . A . 17 LEU CA . . . . . . . . . c30244_5us3 1 . 9 . 4303 . 1 1 17 LEU CB C 1.498 2.751 2.113 . . . 1.0 . . . . . . . . . . . . A . 17 LEU CB . . . . . . . . . c30244_5us3 1 . 9 . 4304 . 1 1 17 LEU CD1 C 2.224 1.362 0.101 . . . 1.0 . . . . . . . . . . . . A . 17 LEU CD1 . . . . . . . . . c30244_5us3 1 . 9 . 4305 . 1 1 17 LEU CD2 C 3.733 1.603 2.077 . . . 1.0 . . . . . . . . . . . . A . 17 LEU CD2 . . . . . . . . . c30244_5us3 1 . 9 . 4306 . 1 1 17 LEU CG C 2.300 1.524 1.617 . . . 1.0 . . . . . . . . . . . . A . 17 LEU CG . . . . . . . . . c30244_5us3 1 . 9 . 4307 . 1 1 17 LEU H H -0.208 4.322 3.283 . . . 1.0 . . . . . . . . . . . . A . 17 LEU H . . . . . . . . . c30244_5us3 1 . 9 . 4308 . 1 1 17 LEU HA H -0.402 2.460 1.155 . . . 1.0 . . . . . . . . . . . . A . 17 LEU HA . . . . . . . . . c30244_5us3 1 . 9 . 4309 . 1 1 17 LEU HB2 H 1.715 3.589 1.471 . . . 1.0 . . . . . . . . . . . . A . 17 LEU HB2 . . . . . . . . . c30244_5us3 1 . 9 . 4310 . 1 1 17 LEU HB3 H 1.836 2.988 3.108 . . . 1.0 . . . . . . . . . . . . A . 17 LEU HB3 . . . . . . . . . c30244_5us3 1 . 9 . 4311 . 1 1 17 LEU HD11 H 2.543 0.354 -0.177 . . . 1.0 . . . . . . . . . . . . A . 17 LEU HD11 . . . . . . . . . c30244_5us3 1 . 9 . 4312 . 1 1 17 LEU HD12 H 2.860 2.095 -0.387 . . . 1.0 . . . . . . . . . . . . A . 17 LEU HD12 . . . . . . . . . c30244_5us3 1 . 9 . 4313 . 1 1 17 LEU HD13 H 1.200 1.504 -0.216 . . . 1.0 . . . . . . . . . . . . A . 17 LEU HD13 . . . . . . . . . c30244_5us3 1 . 9 . 4314 . 1 1 17 LEU HD21 H 3.759 1.710 3.151 . . . 1.0 . . . . . . . . . . . . A . 17 LEU HD21 . . . . . . . . . c30244_5us3 1 . 9 . 4315 . 1 1 17 LEU HD22 H 4.213 2.452 1.612 . . . 1.0 . . . . . . . . . . . . A . 17 LEU HD22 . . . . . . . . . c30244_5us3 1 . 9 . 4316 . 1 1 17 LEU HD23 H 4.246 0.694 1.791 . . . 1.0 . . . . . . . . . . . . A . 17 LEU HD23 . . . . . . . . . c30244_5us3 1 . 9 . 4317 . 1 1 17 LEU HG H 1.866 0.637 2.056 . . . 1.0 . . . . . . . . . . . . A . 17 LEU HG . . . . . . . . . c30244_5us3 1 . 9 . 4318 . 1 1 17 LEU N N -0.721 3.684 2.766 . . . 1.0 . . . . . . . . . . . . A . 17 LEU N . . . . . . . . . c30244_5us3 1 . 9 . 4319 . 1 1 17 LEU O O -0.405 0.205 2.271 . . . 1.0 . . . . . . . . . . . . A . 17 LEU O . . . . . . . . . c30244_5us3 1 . 9 . 4320 . 1 1 18 SER C C -2.037 -0.556 4.535 . . . 1.0 . . . . . . . . . . . . A . 18 SER C . . . . . . . . . c30244_5us3 1 . 9 . 4321 . 1 1 18 SER CA C -0.752 0.101 5.038 . . . 1.0 . . . . . . . . . . . . A . 18 SER CA . . . . . . . . . c30244_5us3 1 . 9 . 4322 . 1 1 18 SER CB C -0.873 0.440 6.527 . . . 1.0 . . . . . . . . . . . . A . 18 SER CB . . . . . . . . . c30244_5us3 1 . 9 . 4323 . 1 1 18 SER H H -0.293 2.149 4.692 . . . 1.0 . . . . . . . . . . . . A . 18 SER H . . . . . . . . . c30244_5us3 1 . 9 . 4324 . 1 1 18 SER HA H 0.062 -0.598 4.903 . . . 1.0 . . . . . . . . . . . . A . 18 SER HA . . . . . . . . . c30244_5us3 1 . 9 . 4325 . 1 1 18 SER HB2 H -1.651 1.174 6.667 . . . 1.0 . . . . . . . . . . . . A . 18 SER HB2 . . . . . . . . . c30244_5us3 1 . 9 . 4326 . 1 1 18 SER HB3 H -1.123 -0.456 7.077 . . . 1.0 . . . . . . . . . . . . A . 18 SER HB3 . . . . . . . . . c30244_5us3 1 . 9 . 4327 . 1 1 18 SER HG H 0.775 1.483 6.353 . . . 1.0 . . . . . . . . . . . . A . 18 SER HG . . . . . . . . . c30244_5us3 1 . 9 . 4328 . 1 1 18 SER N N -0.443 1.298 4.239 . . . 1.0 . . . . . . . . . . . . A . 18 SER N . . . . . . . . . c30244_5us3 1 . 9 . 4329 . 1 1 18 SER O O -2.036 -1.739 4.187 . . . 1.0 . . . . . . . . . . . . A . 18 SER O . . . . . . . . . c30244_5us3 1 . 9 . 4330 . 1 1 18 SER OG O 0.346 0.956 7.031 . . . 1.0 . . . . . . . . . . . . A . 18 SER OG . . . . . . . . . c30244_5us3 1 . 9 . 4331 . 1 1 19 B3K C C -4.259 0.027 1.433 . . . 1.0 . . . . . . . . . . . . A . 19 B3K C . . . . . . . . . c30244_5us3 1 . 9 . 4332 . 1 1 19 B3K CA C -4.822 0.531 2.739 . . . 1.0 . . . . . . . . . . . . A . 19 B3K CA . . . . . . . . . c30244_5us3 1 . 9 . 4333 . 1 1 19 B3K CB C -4.371 -0.263 3.968 . . . 1.0 . . . . . . . . . . . . A . 19 B3K CB . . . . . . . . . c30244_5us3 1 . 9 . 4334 . 1 1 19 B3K CD C -5.265 -0.970 6.275 . . . 1.0 . . . . . . . . . . . . A . 19 B3K CD . . . . . . . . . c30244_5us3 1 . 9 . 4335 . 1 1 19 B3K CE C -6.355 -0.736 7.308 . . . 1.0 . . . . . . . . . . . . A . 19 B3K CE . . . . . . . . . c30244_5us3 1 . 9 . 4336 . 1 1 19 B3K CF C -6.161 -1.618 8.532 . . . 1.0 . . . . . . . . . . . . A . 19 B3K CF . . . . . . . . . c30244_5us3 1 . 9 . 4337 . 1 1 19 B3K CG C -5.456 -0.081 5.051 . . . 1.0 . . . . . . . . . . . . A . 19 B3K CG . . . . . . . . . c30244_5us3 1 . 9 . 4338 . 1 1 19 B3K H H -3.044 1.178 4.747 . . . 1.0 . . . . . . . . . . . . A . 19 B3K H . . . . . . . . . c30244_5us3 1 . 9 . 4339 . 1 1 19 B3K HA1 H -5.898 0.495 2.672 . . . 1.0 . . . . . . . . . . . . A . 19 B3K HA1 . . . . . . . . . c30244_5us3 1 . 9 . 4340 . 1 1 19 B3K HA2 H -4.513 1.559 2.861 . . . 1.0 . . . . . . . . . . . . A . 19 B3K HA2 . . . . . . . . . c30244_5us3 1 . 9 . 4341 . 1 1 19 B3K HB H -4.197 -1.326 3.698 . . . 1.0 . . . . . . . . . . . . A . 19 B3K HB . . . . . . . . . c30244_5us3 1 . 9 . 4342 . 1 1 19 B3K HD2 H -4.306 -0.752 6.720 . . . 1.0 . . . . . . . . . . . . A . 19 B3K HD2 . . . . . . . . . c30244_5us3 1 . 9 . 4343 . 1 1 19 B3K HD3 H -5.294 -2.004 5.965 . . . 1.0 . . . . . . . . . . . . A . 19 B3K HD3 . . . . . . . . . c30244_5us3 1 . 9 . 4344 . 1 1 19 B3K HE2 H -7.314 -0.958 6.863 . . . 1.0 . . . . . . . . . . . . A . 19 B3K HE2 . . . . . . . . . c30244_5us3 1 . 9 . 4345 . 1 1 19 B3K HE3 H -6.329 0.299 7.616 . . . 1.0 . . . . . . . . . . . . A . 19 B3K HE3 . . . . . . . . . c30244_5us3 1 . 9 . 4346 . 1 1 19 B3K HF1 H -5.200 -1.393 8.973 . . . 1.0 . . . . . . . . . . . . A . 19 B3K HF1 . . . . . . . . . c30244_5us3 1 . 9 . 4347 . 1 1 19 B3K HF2 H -6.181 -2.652 8.222 . . . 1.0 . . . . . . . . . . . . A . 19 B3K HF2 . . . . . . . . . c30244_5us3 1 . 9 . 4348 . 1 1 19 B3K HG2 H -6.422 -0.307 4.622 . . . 1.0 . . . . . . . . . . . . A . 19 B3K HG2 . . . . . . . . . c30244_5us3 1 . 9 . 4349 . 1 1 19 B3K HG3 H -5.452 0.947 5.379 . . . 1.0 . . . . . . . . . . . . A . 19 B3K HG3 . . . . . . . . . c30244_5us3 1 . 9 . 4350 . 1 1 19 B3K HNZ1 H -7.215 -0.407 9.867 . . . 1.0 . . . . . . . . . . . . A . 19 B3K HNZ1 . . . . . . . . . c30244_5us3 1 . 9 . 4351 . 1 1 19 B3K HNZ2 H -7.068 -2.015 10.371 . . . 1.0 . . . . . . . . . . . . A . 19 B3K HNZ2 . . . . . . . . . c30244_5us3 1 . 9 . 4352 . 1 1 19 B3K N N -3.114 0.234 4.459 . . . 1.0 . . . . . . . . . . . . A . 19 B3K N . . . . . . . . . c30244_5us3 1 . 9 . 4353 . 1 1 19 B3K NZ N -7.225 -1.397 9.549 . . . 1.0 . . . . . . . . . . . . A . 19 B3K NZ . . . . . . . . . c30244_5us3 1 . 9 . 4354 . 1 1 19 B3K O O -4.698 -1.002 0.896 . . . 1.0 . . . . . . . . . . . . A . 19 B3K O . . . . . . . . . c30244_5us3 1 . 9 . 4355 . 1 1 20 HIS C C -2.078 -1.009 -0.457 . . . 1.0 . . . . . . . . . . . . A . 20 HIS C . . . . . . . . . c30244_5us3 1 . 9 . 4356 . 1 1 20 HIS CA C -2.565 0.443 -0.322 . . . 1.0 . . . . . . . . . . . . A . 20 HIS CA . . . . . . . . . c30244_5us3 1 . 9 . 4357 . 1 1 20 HIS CB C -1.392 1.372 -0.494 . . . 1.0 . . . . . . . . . . . . A . 20 HIS CB . . . . . . . . . c30244_5us3 1 . 9 . 4358 . 1 1 20 HIS CD2 C 0.296 0.322 -2.077 . . . 1.0 . . . . . . . . . . . . A . 20 HIS CD2 . . . . . . . . . c30244_5us3 1 . 9 . 4359 . 1 1 20 HIS CE1 C -0.389 1.169 -3.932 . . . 1.0 . . . . . . . . . . . . A . 20 HIS CE1 . . . . . . . . . c30244_5us3 1 . 9 . 4360 . 1 1 20 HIS CG C -0.720 1.148 -1.784 . . . 1.0 . . . . . . . . . . . . A . 20 HIS CG . . . . . . . . . c30244_5us3 1 . 9 . 4361 . 1 1 20 HIS H H -2.833 1.448 1.499 . . . 1.0 . . . . . . . . . . . . A . 20 HIS H . . . . . . . . . c30244_5us3 1 . 9 . 4362 . 1 1 20 HIS HA H -3.247 0.667 -1.105 . . . 1.0 . . . . . . . . . . . . A . 20 HIS HA . . . . . . . . . c30244_5us3 1 . 9 . 4363 . 1 1 20 HIS HB2 H -1.727 2.400 -0.450 . . . 1.0 . . . . . . . . . . . . A . 20 HIS HB2 . . . . . . . . . c30244_5us3 1 . 9 . 4364 . 1 1 20 HIS HB3 H -0.685 1.177 0.292 . . . 1.0 . . . . . . . . . . . . A . 20 HIS HB3 . . . . . . . . . c30244_5us3 1 . 9 . 4365 . 1 1 20 HIS HD1 H -1.869 2.338 -3.086 . . . 1.0 . . . . . . . . . . . . A . 20 HIS HD1 . . . . . . . . . c30244_5us3 1 . 9 . 4366 . 1 1 20 HIS HD2 H 0.814 -0.342 -1.373 . . . 1.0 . . . . . . . . . . . . A . 20 HIS HD2 . . . . . . . . . c30244_5us3 1 . 9 . 4367 . 1 1 20 HIS HE1 H -0.552 1.324 -4.980 . . . 1.0 . . . . . . . . . . . . A . 20 HIS HE1 . . . . . . . . . c30244_5us3 1 . 9 . 4368 . 1 1 20 HIS N N -3.214 0.727 0.951 . . . 1.0 . . . . . . . . . . . . A . 20 HIS N . . . . . . . . . c30244_5us3 1 . 9 . 4369 . 1 1 20 HIS ND1 N -1.144 1.690 -2.970 . . . 1.0 . . . . . . . . . . . . A . 20 HIS ND1 . . . . . . . . . c30244_5us3 1 . 9 . 4370 . 1 1 20 HIS NE2 N 0.505 0.347 -3.430 . . . 1.0 . . . . . . . . . . . . A . 20 HIS NE2 . . . . . . . . . c30244_5us3 1 . 9 . 4371 . 1 1 20 HIS O O -2.218 -1.636 -1.508 . . . 1.0 . . . . . . . . . . . . A . 20 HIS O . . . . . . . . . c30244_5us3 1 . 9 . 4372 . 1 1 21 ILE C C -1.871 -3.857 1.177 . . . 1.0 . . . . . . . . . . . . A . 21 ILE C . . . . . . . . . c30244_5us3 1 . 9 . 4373 . 1 1 21 ILE CA C -0.905 -2.838 0.583 . . . 1.0 . . . . . . . . . . . . A . 21 ILE CA . . . . . . . . . c30244_5us3 1 . 9 . 4374 . 1 1 21 ILE CB C 0.504 -2.881 1.233 . . . 1.0 . . . . . . . . . . . . A . 21 ILE CB . . . . . . . . . c30244_5us3 1 . 9 . 4375 . 1 1 21 ILE CD1 C 0.515 -3.896 3.585 . . . 1.0 . . . . . . . . . . . . A . 21 ILE CD1 . . . . . . . . . c30244_5us3 1 . 9 . 4376 . 1 1 21 ILE CG1 C 0.496 -2.631 2.753 . . . 1.0 . . . . . . . . . . . . A . 21 ILE CG1 . . . . . . . . . c30244_5us3 1 . 9 . 4377 . 1 1 21 ILE CG2 C 1.397 -1.904 0.546 . . . 1.0 . . . . . . . . . . . . A . 21 ILE CG2 . . . . . . . . . c30244_5us3 1 . 9 . 4378 . 1 1 21 ILE H H -1.342 -0.955 1.375 . . . 1.0 . . . . . . . . . . . . A . 21 ILE H . . . . . . . . . c30244_5us3 1 . 9 . 4379 . 1 1 21 ILE HA H -0.780 -3.091 -0.453 . . . 1.0 . . . . . . . . . . . . A . 21 ILE HA . . . . . . . . . c30244_5us3 1 . 9 . 4380 . 1 1 21 ILE HB H 0.921 -3.817 1.023 . . . 1.0 . . . . . . . . . . . . A . 21 ILE HB . . . . . . . . . c30244_5us3 1 . 9 . 4381 . 1 1 21 ILE HD11 H 0.507 -3.638 4.634 . . . 1.0 . . . . . . . . . . . . A . 21 ILE HD11 . . . . . . . . . c30244_5us3 1 . 9 . 4382 . 1 1 21 ILE HD12 H 1.405 -4.462 3.359 . . . 1.0 . . . . . . . . . . . . A . 21 ILE HD12 . . . . . . . . . c30244_5us3 1 . 9 . 4383 . 1 1 21 ILE HD13 H -0.358 -4.490 3.355 . . . 1.0 . . . . . . . . . . . . A . 21 ILE HD13 . . . . . . . . . c30244_5us3 1 . 9 . 4384 . 1 1 21 ILE HG12 H 1.368 -2.051 3.019 . . . 1.0 . . . . . . . . . . . . A . 21 ILE HG12 . . . . . . . . . c30244_5us3 1 . 9 . 4385 . 1 1 21 ILE HG13 H -0.392 -2.074 3.014 . . . 1.0 . . . . . . . . . . . . A . 21 ILE HG13 . . . . . . . . . c30244_5us3 1 . 9 . 4386 . 1 1 21 ILE HG21 H 1.478 -2.189 -0.490 . . . 1.0 . . . . . . . . . . . . A . 21 ILE HG21 . . . . . . . . . c30244_5us3 1 . 9 . 4387 . 1 1 21 ILE HG22 H 2.370 -1.921 1.009 . . . 1.0 . . . . . . . . . . . . A . 21 ILE HG22 . . . . . . . . . c30244_5us3 1 . 9 . 4388 . 1 1 21 ILE HG23 H 0.965 -0.922 0.626 . . . 1.0 . . . . . . . . . . . . A . 21 ILE HG23 . . . . . . . . . c30244_5us3 1 . 9 . 4389 . 1 1 21 ILE N N -1.453 -1.505 0.590 . . . 1.0 . . . . . . . . . . . . A . 21 ILE N . . . . . . . . . c30244_5us3 1 . 9 . 4390 . 1 1 21 ILE O O -1.804 -5.035 0.844 . . . 1.0 . . . . . . . . . . . . A . 21 ILE O . . . . . . . . . c30244_5us3 1 . 9 . 4391 . 1 1 22 B3K C C -5.346 -4.052 0.589 . . . 1.0 . . . . . . . . . . . . A . 22 B3K C . . . . . . . . . c30244_5us3 1 . 9 . 4392 . 1 1 22 B3K CA C -5.144 -3.831 2.079 . . . 1.0 . . . . . . . . . . . . A . 22 B3K CA . . . . . . . . . c30244_5us3 1 . 9 . 4393 . 1 1 22 B3K CB C -3.761 -4.235 2.619 . . . 1.0 . . . . . . . . . . . . A . 22 B3K CB . . . . . . . . . c30244_5us3 1 . 9 . 4394 . 1 1 22 B3K CD C -3.318 -5.273 4.918 . . . 1.0 . . . . . . . . . . . . A . 22 B3K CD . . . . . . . . . c30244_5us3 1 . 9 . 4395 . 1 1 22 B3K CE C -3.333 -5.027 6.418 . . . 1.0 . . . . . . . . . . . . A . 22 B3K CE . . . . . . . . . c30244_5us3 1 . 9 . 4396 . 1 1 22 B3K CF C -2.846 -6.245 7.186 . . . 1.0 . . . . . . . . . . . . A . 22 B3K CF . . . . . . . . . c30244_5us3 1 . 9 . 4397 . 1 1 22 B3K CG C -3.789 -4.049 4.149 . . . 1.0 . . . . . . . . . . . . A . 22 B3K CG . . . . . . . . . c30244_5us3 1 . 9 . 4398 . 1 1 22 B3K H H -2.698 -2.455 2.351 . . . 1.0 . . . . . . . . . . . . A . 22 B3K H . . . . . . . . . c30244_5us3 1 . 9 . 4399 . 1 1 22 B3K HA1 H -5.301 -2.783 2.283 . . . 1.0 . . . . . . . . . . . . A . 22 B3K HA1 . . . . . . . . . c30244_5us3 1 . 9 . 4400 . 1 1 22 B3K HA2 H -5.897 -4.403 2.600 . . . 1.0 . . . . . . . . . . . . A . 22 B3K HA2 . . . . . . . . . c30244_5us3 1 . 9 . 4401 . 1 1 22 B3K HB H -3.503 -5.268 2.308 . . . 1.0 . . . . . . . . . . . . A . 22 B3K HB . . . . . . . . . c30244_5us3 1 . 9 . 4402 . 1 1 22 B3K HD2 H -2.311 -5.512 4.611 . . . 1.0 . . . . . . . . . . . . A . 22 B3K HD2 . . . . . . . . . c30244_5us3 1 . 9 . 4403 . 1 1 22 B3K HD3 H -3.972 -6.102 4.693 . . . 1.0 . . . . . . . . . . . . A . 22 B3K HD3 . . . . . . . . . c30244_5us3 1 . 9 . 4404 . 1 1 22 B3K HE2 H -4.344 -4.800 6.726 . . . 1.0 . . . . . . . . . . . . A . 22 B3K HE2 . . . . . . . . . c30244_5us3 1 . 9 . 4405 . 1 1 22 B3K HE3 H -2.690 -4.191 6.644 . . . 1.0 . . . . . . . . . . . . A . 22 B3K HE3 . . . . . . . . . c30244_5us3 1 . 9 . 4406 . 1 1 22 B3K HF1 H -1.841 -6.478 6.865 . . . 1.0 . . . . . . . . . . . . A . 22 B3K HF1 . . . . . . . . . c30244_5us3 1 . 9 . 4407 . 1 1 22 B3K HF2 H -3.495 -7.079 6.965 . . . 1.0 . . . . . . . . . . . . A . 22 B3K HF2 . . . . . . . . . c30244_5us3 1 . 9 . 4408 . 1 1 22 B3K HG2 H -4.797 -3.820 4.459 . . . 1.0 . . . . . . . . . . . . A . 22 B3K HG2 . . . . . . . . . c30244_5us3 1 . 9 . 4409 . 1 1 22 B3K HG3 H -3.146 -3.222 4.410 . . . 1.0 . . . . . . . . . . . . A . 22 B3K HG3 . . . . . . . . . c30244_5us3 1 . 9 . 4410 . 1 1 22 B3K HNZ1 H -3.804 -5.792 8.985 . . . 1.0 . . . . . . . . . . . . A . 22 B3K HNZ1 . . . . . . . . . c30244_5us3 1 . 9 . 4411 . 1 1 22 B3K HNZ2 H -2.219 -5.213 8.891 . . . 1.0 . . . . . . . . . . . . A . 22 B3K HNZ2 . . . . . . . . . c30244_5us3 1 . 9 . 4412 . 1 1 22 B3K N N -2.754 -3.393 2.059 . . . 1.0 . . . . . . . . . . . . A . 22 B3K N . . . . . . . . . c30244_5us3 1 . 9 . 4413 . 1 1 22 B3K NZ N -2.842 -6.011 8.657 . . . 1.0 . . . . . . . . . . . . A . 22 B3K NZ . . . . . . . . . c30244_5us3 1 . 9 . 4414 . 1 1 22 B3K O O -6.235 -4.821 0.201 . . . 1.0 . . . . . . . . . . . . A . 22 B3K O . . . . . . . . . c30244_5us3 1 . 9 . 4415 . 1 1 23 THR C C -3.682 -4.547 -2.286 . . . 1.0 . . . . . . . . . . . . A . 23 THR C . . . . . . . . . c30244_5us3 1 . 9 . 4416 . 1 1 23 THR CA C -4.662 -3.533 -1.718 . . . 1.0 . . . . . . . . . . . . A . 23 THR CA . . . . . . . . . c30244_5us3 1 . 9 . 4417 . 1 1 23 THR CB C -4.532 -2.168 -2.460 . . . 1.0 . . . . . . . . . . . . A . 23 THR CB . . . . . . . . . c30244_5us3 1 . 9 . 4418 . 1 1 23 THR CG2 C -5.153 -2.234 -3.846 . . . 1.0 . . . . . . . . . . . . A . 23 THR CG2 . . . . . . . . . c30244_5us3 1 . 9 . 4419 . 1 1 23 THR H H -3.762 -2.865 0.098 . . . 1.0 . . . . . . . . . . . . A . 23 THR H . . . . . . . . . c30244_5us3 1 . 9 . 4420 . 1 1 23 THR HA H -5.653 -3.913 -1.892 . . . 1.0 . . . . . . . . . . . . A . 23 THR HA . . . . . . . . . c30244_5us3 1 . 9 . 4421 . 1 1 23 THR HB H -3.476 -1.913 -2.570 . . . 1.0 . . . . . . . . . . . . A . 23 THR HB . . . . . . . . . c30244_5us3 1 . 9 . 4422 . 1 1 23 THR HG1 H -4.549 -0.715 -1.127 . . . 1.0 . . . . . . . . . . . . A . 23 THR HG1 . . . . . . . . . c30244_5us3 1 . 9 . 4423 . 1 1 23 THR HG21 H -4.966 -1.306 -4.367 . . . 1.0 . . . . . . . . . . . . A . 23 THR HG21 . . . . . . . . . c30244_5us3 1 . 9 . 4424 . 1 1 23 THR HG22 H -6.218 -2.390 -3.755 . . . 1.0 . . . . . . . . . . . . A . 23 THR HG22 . . . . . . . . . c30244_5us3 1 . 9 . 4425 . 1 1 23 THR HG23 H -4.713 -3.053 -4.394 . . . 1.0 . . . . . . . . . . . . A . 23 THR HG23 . . . . . . . . . c30244_5us3 1 . 9 . 4426 . 1 1 23 THR N N -4.512 -3.404 -0.262 . . . 1.0 . . . . . . . . . . . . A . 23 THR N . . . . . . . . . c30244_5us3 1 . 9 . 4427 . 1 1 23 THR O O -4.073 -5.389 -3.101 . . . 1.0 . . . . . . . . . . . . A . 23 THR O . . . . . . . . . c30244_5us3 1 . 9 . 4428 . 1 1 23 THR OG1 O -5.184 -1.137 -1.710 . . . 1.0 . . . . . . . . . . . . A . 23 THR OG1 . . . . . . . . . c30244_5us3 1 . 9 . 4429 . 1 1 24 HIS C C -1.764 -6.845 -1.954 . . . 1.0 . . . . . . . . . . . . A . 24 HIS C . . . . . . . . . c30244_5us3 1 . 9 . 4430 . 1 1 24 HIS CA C -1.389 -5.434 -2.326 . . . 1.0 . . . . . . . . . . . . A . 24 HIS CA . . . . . . . . . c30244_5us3 1 . 9 . 4431 . 1 1 24 HIS CB C -0.023 -5.116 -1.738 . . . 1.0 . . . . . . . . . . . . A . 24 HIS CB . . . . . . . . . c30244_5us3 1 . 9 . 4432 . 1 1 24 HIS CD2 C 0.636 -2.853 -2.753 . . . 1.0 . . . . . . . . . . . . A . 24 HIS CD2 . . . . . . . . . c30244_5us3 1 . 9 . 4433 . 1 1 24 HIS CE1 C 2.213 -3.471 -4.066 . . . 1.0 . . . . . . . . . . . . A . 24 HIS CE1 . . . . . . . . . c30244_5us3 1 . 9 . 4434 . 1 1 24 HIS CG C 0.773 -4.182 -2.578 . . . 1.0 . . . . . . . . . . . . A . 24 HIS CG . . . . . . . . . c30244_5us3 1 . 9 . 4435 . 1 1 24 HIS H H -2.147 -3.734 -1.268 . . . 1.0 . . . . . . . . . . . . A . 24 HIS H . . . . . . . . . c30244_5us3 1 . 9 . 4436 . 1 1 24 HIS HA H -1.357 -5.374 -3.384 . . . 1.0 . . . . . . . . . . . . A . 24 HIS HA . . . . . . . . . c30244_5us3 1 . 9 . 4437 . 1 1 24 HIS HB2 H -0.168 -4.663 -0.769 . . . 1.0 . . . . . . . . . . . . A . 24 HIS HB2 . . . . . . . . . c30244_5us3 1 . 9 . 4438 . 1 1 24 HIS HB3 H 0.538 -6.032 -1.624 . . . 1.0 . . . . . . . . . . . . A . 24 HIS HB3 . . . . . . . . . c30244_5us3 1 . 9 . 4439 . 1 1 24 HIS HD1 H 2.191 -5.462 -3.506 . . . 1.0 . . . . . . . . . . . . A . 24 HIS HD1 . . . . . . . . . c30244_5us3 1 . 9 . 4440 . 1 1 24 HIS HD2 H 0.035 -2.176 -2.153 . . . 1.0 . . . . . . . . . . . . A . 24 HIS HD2 . . . . . . . . . c30244_5us3 1 . 9 . 4441 . 1 1 24 HIS HE1 H 3.060 -3.402 -4.732 . . . 1.0 . . . . . . . . . . . . A . 24 HIS HE1 . . . . . . . . . c30244_5us3 1 . 9 . 4442 . 1 1 24 HIS N N -2.409 -4.470 -1.868 . . . 1.0 . . . . . . . . . . . . A . 24 HIS N . . . . . . . . . c30244_5us3 1 . 9 . 4443 . 1 1 24 HIS ND1 N 1.803 -4.566 -3.423 . . . 1.0 . . . . . . . . . . . . A . 24 HIS ND1 . . . . . . . . . c30244_5us3 1 . 9 . 4444 . 1 1 24 HIS NE2 N 1.533 -2.449 -3.705 . . . 1.0 . . . . . . . . . . . . A . 24 HIS NE2 . . . . . . . . . c30244_5us3 1 . 9 . 4445 . 1 1 24 HIS O O -1.393 -7.812 -2.626 . . . 1.0 . . . . . . . . . . . . A . 24 HIS O . . . . . . . . . c30244_5us3 1 . 9 . 4446 . 1 1 25 . C C -5.528 -8.730 0.044 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q C . . . . . . . . . c30244_5us3 1 . 9 . 4447 . 1 1 25 . CA C -4.436 -8.357 -0.953 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q CA . . . . . . . . . c30244_5us3 1 . 9 . 4448 . 1 1 25 . CB C -3.011 -8.191 -0.374 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q CB . . . . . . . . . c30244_5us3 1 . 9 . 4449 . 1 1 25 . CD C -1.583 -8.632 1.731 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q CD . . . . . . . . . c30244_5us3 1 . 9 . 4450 . 1 1 25 . CE C -0.464 -7.655 1.386 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q CE . . . . . . . . . c30244_5us3 1 . 9 . 4451 . 1 1 25 . CG C -2.949 -8.229 1.167 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q CG . . . . . . . . . c30244_5us3 1 . 9 . 4452 . 1 1 25 . H11 H -0.780 -6.640 3.067 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q H11 . . . . . . . . . c30244_5us3 1 . 9 . 4453 . 1 1 25 . H12 H 0.479 -6.029 2.050 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q H12 . . . . . . . . . c30244_5us3 1 . 9 . 4454 . 1 1 25 . H8 H -1.323 -9.604 1.337 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q H8 . . . . . . . . . c30244_5us3 1 . 9 . 4455 . 1 1 25 . H9 H -1.660 -8.694 2.805 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q H9 . . . . . . . . . c30244_5us3 1 . 9 . 4456 . 1 1 25 . HA H -4.702 -7.414 -1.425 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q HA . . . . . . . . . c30244_5us3 1 . 9 . 4457 . 1 1 25 . HAA H -4.405 -9.119 -1.717 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q HAA . . . . . . . . . c30244_5us3 1 . 9 . 4458 . 1 1 25 . HB H -2.377 -8.974 -0.763 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q HB . . . . . . . . . c30244_5us3 1 . 9 . 4459 . 1 1 25 . HG H -3.683 -8.937 1.526 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q HG . . . . . . . . . c30244_5us3 1 . 9 . 4460 . 1 1 25 . HGA H -3.195 -7.253 1.546 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q HGA . . . . . . . . . c30244_5us3 1 . 9 . 4461 . 1 1 25 . HN H -2.725 -6.079 -0.394 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q HN . . . . . . . . . c30244_5us3 1 . 9 . 4462 . 1 1 25 . N N -2.504 -6.927 -0.870 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q N . . . . . . . . . c30244_5us3 1 . 9 . 4463 . 1 1 25 . NF2 N -0.230 -6.679 2.258 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q NF2 . . . . . . . . . c30244_5us3 1 . 9 . 4464 . 1 1 25 . O O -5.589 -9.876 0.502 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q O . . . . . . . . . c30244_5us3 1 . 9 . 4465 . 1 1 25 . OF1 O 0.186 -7.783 0.348 . . . 1.0 . . . . . . . . . . . . A . 25 B3Q OF1 . . . . . . . . . c30244_5us3 1 . 9 . 4466 . 1 1 26 ASN C C -8.777 -8.392 0.586 . . . 1.0 . . . . . . . . . . . . A . 26 ASN C . . . . . . . . . c30244_5us3 1 . 9 . 4467 . 1 1 26 ASN CA C -7.493 -7.982 1.316 . . . 1.0 . . . . . . . . . . . . A . 26 ASN CA . . . . . . . . . c30244_5us3 1 . 9 . 4468 . 1 1 26 ASN CB C -7.744 -6.730 2.157 . . . 1.0 . . . . . . . . . . . . A . 26 ASN CB . . . . . . . . . c30244_5us3 1 . 9 . 4469 . 1 1 26 ASN CG C -7.013 -6.772 3.485 . . . 1.0 . . . . . . . . . . . . A . 26 ASN CG . . . . . . . . . c30244_5us3 1 . 9 . 4470 . 1 1 26 ASN H H -6.272 -6.863 -0.016 . . . 1.0 . . . . . . . . . . . . A . 26 ASN H . . . . . . . . . c30244_5us3 1 . 9 . 4471 . 1 1 26 ASN HA H -7.201 -8.788 1.972 . . . 1.0 . . . . . . . . . . . . A . 26 ASN HA . . . . . . . . . c30244_5us3 1 . 9 . 4472 . 1 1 26 ASN HB2 H -7.409 -5.862 1.609 . . . 1.0 . . . . . . . . . . . . A . 26 ASN HB2 . . . . . . . . . c30244_5us3 1 . 9 . 4473 . 1 1 26 ASN HB3 H -8.804 -6.640 2.352 . . . 1.0 . . . . . . . . . . . . A . 26 ASN HB3 . . . . . . . . . c30244_5us3 1 . 9 . 4474 . 1 1 26 ASN HD21 H -8.620 -7.540 4.371 . . . 1.0 . . . . . . . . . . . . A . 26 ASN HD21 . . . . . . . . . c30244_5us3 1 . 9 . 4475 . 1 1 26 ASN HD22 H -7.248 -7.286 5.392 . . . 1.0 . . . . . . . . . . . . A . 26 ASN HD22 . . . . . . . . . c30244_5us3 1 . 9 . 4476 . 1 1 26 ASN N N -6.388 -7.758 0.376 . . . 1.0 . . . . . . . . . . . . A . 26 ASN N . . . . . . . . . c30244_5us3 1 . 9 . 4477 . 1 1 26 ASN ND2 N -7.696 -7.248 4.520 . . . 1.0 . . . . . . . . . . . . A . 26 ASN ND2 . . . . . . . . . c30244_5us3 1 . 9 . 4478 . 1 1 26 ASN O O -9.506 -9.269 1.058 . . . 1.0 . . . . . . . . . . . . A . 26 ASN O . . . . . . . . . c30244_5us3 1 . 9 . 4479 . 1 1 26 ASN OD1 O -5.851 -6.382 3.581 . . . 1.0 . . . . . . . . . . . . A . 26 ASN OD1 . . . . . . . . . c30244_5us3 1 . 9 . 4480 . 1 1 27 LYS C C -9.892 -8.967 -2.537 . . . 1.0 . . . . . . . . . . . . A . 27 LYS C . . . . . . . . . c30244_5us3 1 . 9 . 4481 . 1 1 27 LYS CA C -10.231 -8.049 -1.362 . . . 1.0 . . . . . . . . . . . . A . 27 LYS CA . . . . . . . . . c30244_5us3 1 . 9 . 4482 . 1 1 27 LYS CB C -10.873 -6.754 -1.874 . . . 1.0 . . . . . . . . . . . . A . 27 LYS CB . . . . . . . . . c30244_5us3 1 . 9 . 4483 . 1 1 27 LYS CD C -12.322 -4.758 -1.386 . . . 1.0 . . . . . . . . . . . . A . 27 LYS CD . . . . . . . . . c30244_5us3 1 . 9 . 4484 . 1 1 27 LYS CE C -13.122 -4.016 -0.327 . . . 1.0 . . . . . . . . . . . . A . 27 LYS CE . . . . . . . . . c30244_5us3 1 . 9 . 4485 . 1 1 27 LYS CG C -11.629 -5.980 -0.804 . . . 1.0 . . . . . . . . . . . . A . 27 LYS CG . . . . . . . . . c30244_5us3 1 . 9 . 4486 . 1 1 27 LYS H H -8.417 -7.065 -0.872 . . . 1.0 . . . . . . . . . . . . A . 27 LYS H . . . . . . . . . c30244_5us3 1 . 9 . 4487 . 1 1 27 LYS HA H -10.937 -8.557 -0.722 . . . 1.0 . . . . . . . . . . . . A . 27 LYS HA . . . . . . . . . c30244_5us3 1 . 9 . 4488 . 1 1 27 LYS HB2 H -10.099 -6.115 -2.270 . . . 1.0 . . . . . . . . . . . . A . 27 LYS HB2 . . . . . . . . . c30244_5us3 1 . 9 . 4489 . 1 1 27 LYS HB3 H -11.565 -6.999 -2.667 . . . 1.0 . . . . . . . . . . . . A . 27 LYS HB3 . . . . . . . . . c30244_5us3 1 . 9 . 4490 . 1 1 27 LYS HD2 H -11.576 -4.091 -1.790 . . . 1.0 . . . . . . . . . . . . A . 27 LYS HD2 . . . . . . . . . c30244_5us3 1 . 9 . 4491 . 1 1 27 LYS HD3 H -12.990 -5.075 -2.173 . . . 1.0 . . . . . . . . . . . . A . 27 LYS HD3 . . . . . . . . . c30244_5us3 1 . 9 . 4492 . 1 1 27 LYS HE2 H -13.853 -4.692 0.091 . . . 1.0 . . . . . . . . . . . . A . 27 LYS HE2 . . . . . . . . . c30244_5us3 1 . 9 . 4493 . 1 1 27 LYS HE3 H -12.448 -3.689 0.451 . . . 1.0 . . . . . . . . . . . . A . 27 LYS HE3 . . . . . . . . . c30244_5us3 1 . 9 . 4494 . 1 1 27 LYS HG2 H -12.373 -6.626 -0.363 . . . 1.0 . . . . . . . . . . . . A . 27 LYS HG2 . . . . . . . . . c30244_5us3 1 . 9 . 4495 . 1 1 27 LYS HG3 H -10.932 -5.660 -0.044 . . . 1.0 . . . . . . . . . . . . A . 27 LYS HG3 . . . . . . . . . c30244_5us3 1 . 9 . 4496 . 1 1 27 LYS HZ1 H -13.136 -2.169 -1.301 . . . 1.0 . . . . . . . . . . . . A . 27 LYS HZ1 . . . . . . . . . c30244_5us3 1 . 9 . 4497 . 1 1 27 LYS HZ2 H -14.357 -2.342 -0.144 . . . 1.0 . . . . . . . . . . . . A . 27 LYS HZ2 . . . . . . . . . c30244_5us3 1 . 9 . 4498 . 1 1 27 LYS HZ3 H -14.489 -3.129 -1.635 . . . 1.0 . . . . . . . . . . . . A . 27 LYS HZ3 . . . . . . . . . c30244_5us3 1 . 9 . 4499 . 1 1 27 LYS N N -9.041 -7.753 -0.559 . . . 1.0 . . . . . . . . . . . . A . 27 LYS N . . . . . . . . . c30244_5us3 1 . 9 . 4500 . 1 1 27 LYS NZ N -13.825 -2.831 -0.891 . . . 1.0 . . . . . . . . . . . . A . 27 LYS NZ . . . . . . . . . c30244_5us3 1 . 9 . 4501 . 1 1 27 LYS O O -10.646 -9.896 -2.839 . . . 1.0 . . . . . . . . . . . . A . 27 LYS O . . . . . . . . . c30244_5us3 1 . 9 . 4502 . 1 1 28 LYS C C -6.982 -10.196 -4.018 . . . 1.0 . . . . . . . . . . . . A . 28 LYS C . . . . . . . . . c30244_5us3 1 . 9 . 4503 . 1 1 28 LYS CA C -8.302 -9.493 -4.335 . . . 1.0 . . . . . . . . . . . . A . 28 LYS CA . . . . . . . . . c30244_5us3 1 . 9 . 4504 . 1 1 28 LYS CB C -8.148 -8.610 -5.580 . . . 1.0 . . . . . . . . . . . . A . 28 LYS CB . . . . . . . . . c30244_5us3 1 . 9 . 4505 . 1 1 28 LYS CD C -9.258 -7.329 -7.440 . . . 1.0 . . . . . . . . . . . . A . 28 LYS CD . . . . . . . . . c30244_5us3 1 . 9 . 4506 . 1 1 28 LYS CE C -10.577 -6.927 -8.085 . . . 1.0 . . . . . . . . . . . . A . 28 LYS CE . . . . . . . . . c30244_5us3 1 . 9 . 4507 . 1 1 28 LYS CG C -9.471 -8.191 -6.205 . . . 1.0 . . . . . . . . . . . . A . 28 LYS CG . . . . . . . . . c30244_5us3 1 . 9 . 4508 . 1 1 28 LYS H H -8.205 -7.942 -2.895 . . . 1.0 . . . . . . . . . . . . A . 28 LYS H . . . . . . . . . c30244_5us3 1 . 9 . 4509 . 1 1 28 LYS HA H -9.054 -10.243 -4.529 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HA . . . . . . . . . c30244_5us3 1 . 9 . 4510 . 1 1 28 LYS HB2 H -7.607 -7.716 -5.308 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HB2 . . . . . . . . . c30244_5us3 1 . 9 . 4511 . 1 1 28 LYS HB3 H -7.581 -9.152 -6.322 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HB3 . . . . . . . . . c30244_5us3 1 . 9 . 4512 . 1 1 28 LYS HD2 H -8.723 -6.436 -7.155 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HD2 . . . . . . . . . c30244_5us3 1 . 9 . 4513 . 1 1 28 LYS HD3 H -8.673 -7.886 -8.158 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HD3 . . . . . . . . . c30244_5us3 1 . 9 . 4514 . 1 1 28 LYS HE2 H -11.245 -6.571 -7.314 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HE2 . . . . . . . . . c30244_5us3 1 . 9 . 4515 . 1 1 28 LYS HE3 H -10.390 -6.131 -8.791 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HE3 . . . . . . . . . c30244_5us3 1 . 9 . 4516 . 1 1 28 LYS HG2 H -10.021 -9.077 -6.488 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HG2 . . . . . . . . . c30244_5us3 1 . 9 . 4517 . 1 1 28 LYS HG3 H -10.040 -7.629 -5.478 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HG3 . . . . . . . . . c30244_5us3 1 . 9 . 4518 . 1 1 28 LYS HZ1 H -11.422 -8.839 -8.130 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HZ1 . . . . . . . . . c30244_5us3 1 . 9 . 4519 . 1 1 28 LYS HZ2 H -10.601 -8.420 -9.548 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HZ2 . . . . . . . . . c30244_5us3 1 . 9 . 4520 . 1 1 28 LYS HZ3 H -12.122 -7.755 -9.224 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HZ3 . . . . . . . . . c30244_5us3 1 . 9 . 4521 . 1 1 28 LYS N N -8.755 -8.697 -3.191 . . . 1.0 . . . . . . . . . . . . A . 28 LYS N . . . . . . . . . c30244_5us3 1 . 9 . 4522 . 1 1 28 LYS NZ N -11.227 -8.066 -8.797 . . . 1.0 . . . . . . . . . . . . A . 28 LYS NZ . . . . . . . . . c30244_5us3 1 . 9 . 4523 . 1 1 28 LYS O O -5.956 -9.554 -3.789 . . . 1.0 . . . . . . . . . . . . A . 28 LYS O . . . . . . . . . c30244_5us3 1 . 9 . 4524 . 1 1 29 NH2 HN1 H -7.869 -11.968 -4.188 . . . 1.0 . . . . . . . . . . . . A . 29 NH2 HN1 . . . . . . . . . c30244_5us3 1 . 9 . 4525 . 1 1 29 NH2 HN2 H -6.189 -12.005 -3.786 . . . 1.0 . . . . . . . . . . . . A . 29 NH2 HN2 . . . . . . . . . c30244_5us3 1 . 9 . 4526 . 1 1 29 NH2 N N -7.017 -11.524 -3.995 . . . 1.0 . . . . . . . . . . . . A . 29 NH2 N . . . . . . . . . c30244_5us3 1 . 9 . 4527 . 2 2 1 ZN ZN Zn 1.828 -0.713 -4.358 . . . 1.0 . . . . . . . . . . . . A . 101 ZN ZN . . . . . . . . . c30244_5us3 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 c30244_5us3 _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 5us3.mr . . 'MR format' 1 comment 'Not applicable' 'Not applicable' 0 c30244_5us3 1 1 5us3.mr . . XPLOR/CNS 2 distance NOE simple 234 c30244_5us3 1 1 5us3.mr . . XPLOR/CNS 3 distance 'hydrogen bond' simple 18 c30244_5us3 1 1 5us3.mr . . 'MR format' 4 'nomenclature mapping' 'Not applicable' 'Not applicable' 0 c30244_5us3 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 c30244_5us3 _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 . . . . c30244_5us3 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 OR . 1 1 4 4 CYS HA H . . . 1 1 5 5 PRO HD2 H . . . . . 2.7 1.6 3.0 . . . . . A . 4 CYS HA . . A . 5 PRO HD2 . . . 4 . HA . . . . . 5 . HD# . . c30244_5us3 1 1 2 OR . 1 1 4 4 CYS HA H . . . 1 1 5 5 PRO HD3 H . . . . . 2.7 1.6 3.0 . . . . . A . 4 CYS HA . . A . 5 PRO HD3 . . . 4 . HA . . . . . 5 . HD# . . c30244_5us3 1 2 1 OR . 1 1 4 4 CYS HA H . . . 1 1 17 17 LEU MD1 H . . . . . 2.7 1.6 3.0 . . . . . A . 4 CYS HA . . A . 17 LEU MD1 . . . 4 . HA . . . . . 17 . HD## . . c30244_5us3 1 2 2 OR . 1 1 4 4 CYS HA H . . . 1 1 17 17 LEU MD2 H . . . . . 2.7 1.6 3.0 . . . . . A . 4 CYS HA . . A . 17 LEU MD2 . . . 4 . HA . . . . . 17 . HD## . . c30244_5us3 1 3 1 OR . 1 1 7 7 CYS HB3 H . . . 1 1 8 8 PRO HD2 H . . . . . 2.7 1.6 3.0 . . . . . A . 7 CYS HB3 . . A . 8 PRO HD2 . . . 7 . HB# . . . . . 8 . HD# . . c30244_5us3 1 3 2 OR . 1 1 7 7 CYS HB2 H . . . 1 1 8 8 PRO HD2 H . . . . . 2.7 1.6 3.0 . . . . . A . 7 CYS HB2 . . A . 8 PRO HD2 . . . 7 . HB# . . . . . 8 . HD# . . c30244_5us3 1 3 3 OR . 1 1 8 8 PRO HD3 H . . . 1 1 7 7 CYS HB2 H . . . . . 2.7 1.6 3.0 . . . . . A . 8 PRO HD3 . . A . 7 CYS HB2 . . . 8 . HD# . . . . . 7 . HB# . . c30244_5us3 1 3 4 OR . 1 1 7 7 CYS HB3 H . . . 1 1 8 8 PRO HD3 H . . . . . 2.7 1.6 3.0 . . . . . A . 7 CYS HB3 . . A . 8 PRO HD3 . . . 7 . HB# . . . . . 8 . HD# . . c30244_5us3 1 4 1 OR . 1 1 7 7 CYS HB3 H . . . 1 1 8 8 PRO HD2 H . . . . . 2.7 1.6 3.0 . . . . . A . 7 CYS HB3 . . A . 8 PRO HD2 . . . 7 . HB# . . . . . 8 . HD# . . c30244_5us3 1 4 2 OR . 1 1 7 7 CYS HB2 H . . . 1 1 8 8 PRO HD2 H . . . . . 2.7 1.6 3.0 . . . . . A . 7 CYS HB2 . . A . 8 PRO HD2 . . . 7 . HB# . . . . . 8 . HD# . . c30244_5us3 1 4 3 OR . 1 1 8 8 PRO HD3 H . . . 1 1 7 7 CYS HB2 H . . . . . 2.7 1.6 3.0 . . . . . A . 8 PRO HD3 . . A . 7 CYS HB2 . . . 8 . HD# . . . . . 7 . HB# . . c30244_5us3 1 4 4 OR . 1 1 7 7 CYS HB3 H . . . 1 1 8 8 PRO HD3 H . . . . . 2.7 1.6 3.0 . . . . . A . 7 CYS HB3 . . A . 8 PRO HD3 . . . 7 . HB# . . . . . 8 . HD# . . c30244_5us3 1 5 1 OR . 1 1 7 7 CYS HB3 H . . . 1 1 8 8 PRO HD2 H . . . . . 2.7 1.6 3.0 . . . . . A . 7 CYS HB3 . . A . 8 PRO HD2 . . . 7 . HB# . . . . . 8 . HD# . . c30244_5us3 1 5 2 OR . 1 1 7 7 CYS HB2 H . . . 1 1 8 8 PRO HD2 H . . . . . 2.7 1.6 3.0 . . . . . A . 7 CYS HB2 . . A . 8 PRO HD2 . . . 7 . HB# . . . . . 8 . HD# . . c30244_5us3 1 5 3 OR . 1 1 8 8 PRO HD3 H . . . 1 1 7 7 CYS HB2 H . . . . . 2.7 1.6 3.0 . . . . . A . 8 PRO HD3 . . A . 7 CYS HB2 . . . 8 . HD# . . . . . 7 . HB# . . c30244_5us3 1 5 4 OR . 1 1 7 7 CYS HB3 H . . . 1 1 8 8 PRO HD3 H . . . . . 2.7 1.6 3.0 . . . . . A . 7 CYS HB3 . . A . 8 PRO HD3 . . . 7 . HB# . . . . . 8 . HD# . . c30244_5us3 1 6 1 OR . 1 1 7 7 CYS HB3 H . . . 1 1 8 8 PRO HD2 H . . . . . 2.7 1.6 3.0 . . . . . A . 7 CYS HB3 . . A . 8 PRO HD2 . . . 7 . HB# . . . . . 8 . HD# . . c30244_5us3 1 6 2 OR . 1 1 7 7 CYS HB2 H . . . 1 1 8 8 PRO HD2 H . . . . . 2.7 1.6 3.0 . . . . . A . 7 CYS HB2 . . A . 8 PRO HD2 . . . 7 . HB# . . . . . 8 . HD# . . c30244_5us3 1 6 3 OR . 1 1 8 8 PRO HD3 H . . . 1 1 7 7 CYS HB2 H . . . . . 2.7 1.6 3.0 . . . . . A . 8 PRO HD3 . . A . 7 CYS HB2 . . . 8 . HD# . . . . . 7 . HB# . . c30244_5us3 1 6 4 OR . 1 1 7 7 CYS HB3 H . . . 1 1 8 8 PRO HD3 H . . . . . 2.7 1.6 3.0 . . . . . A . 7 CYS HB3 . . A . 8 PRO HD3 . . . 7 . HB# . . . . . 8 . HD# . . c30244_5us3 1 7 1 . . 1 1 7 7 CYS H H . . . 1 1 6 6 GLU H H . . . . . 2.7 1.6 3.0 . . . . . A . 7 CYS H . . A . 6 GLU H . . . 7 . HN . . . . . 6 . HN . . c30244_5us3 1 8 1 . . 1 1 10 10 MMO HA H . . . 1 1 11 11 PHE H H . . . . . 2.7 1.6 3.0 . . . . . A . 10 MMO HA . . A . 11 PHE H . . . 10 . HA . . . . . 11 . HN . . c30244_5us3 1 9 1 OR . 1 1 20 20 HIS HD1 H . . . 1 1 17 17 LEU MD1 H . . . . . 2.7 1.6 3.0 . . . . . A . 20 HIS HD1 . . A . 17 LEU MD1 . . . 20 . HD# . . . . . 17 . HD## . . c30244_5us3 1 9 2 OR . 1 1 17 17 LEU MD2 H . . . 1 1 20 20 HIS HD2 H . . . . . 2.7 1.6 3.0 . . . . . A . 17 LEU MD2 . . A . 20 HIS HD2 . . . 17 . HD## . . . . . 20 . HD# . . c30244_5us3 1 9 3 OR . 1 1 17 17 LEU MD2 H . . . 1 1 20 20 HIS HD1 H . . . . . 2.7 1.6 3.0 . . . . . A . 17 LEU MD2 . . A . 20 HIS HD1 . . . 17 . HD## . . . . . 20 . HD# . . c30244_5us3 1 9 4 OR . 1 1 20 20 HIS HD2 H . . . 1 1 17 17 LEU MD1 H . . . . . 2.7 1.6 3.0 . . . . . A . 20 HIS HD2 . . A . 17 LEU MD1 . . . 20 . HD# . . . . . 17 . HD## . . c30244_5us3 1 10 1 . . 1 1 21 21 ILE MG H . . . 1 1 17 17 LEU HG H . . . . . 2.7 1.6 3.0 . . . . . A . 21 ILE MG . . A . 17 LEU HG . . . 21 . HG2# . . . . . 17 . HG . . c30244_5us3 1 11 1 OR . 1 1 4 4 CYS HA H . . . 1 1 5 5 PRO HB2 H . . . . . 3.5 1.6 3.8 . . . . . A . 4 CYS HA . . A . 5 PRO HB2 . . . 4 . HA . . . . . 5 . HB# . . c30244_5us3 1 11 2 OR . 1 1 4 4 CYS HA H . . . 1 1 5 5 PRO HB3 H . . . . . 3.5 1.6 3.8 . . . . . A . 4 CYS HA . . A . 5 PRO HB3 . . . 4 . HA . . . . . 5 . HB# . . c30244_5us3 1 12 1 OR . 1 1 4 4 CYS HA H . . . 1 1 5 5 PRO HG2 H . . . . . 3.5 1.6 3.8 . . . . . A . 4 CYS HA . . A . 5 PRO HG2 . . . 4 . HA . . . . . 5 . HG# . . c30244_5us3 1 12 2 OR . 1 1 4 4 CYS HA H . . . 1 1 5 5 PRO HG3 H . . . . . 3.5 1.6 3.8 . . . . . A . 4 CYS HA . . A . 5 PRO HG3 . . . 4 . HA . . . . . 5 . HG# . . c30244_5us3 1 13 1 OR . 1 1 4 4 CYS HA H . . . 1 1 5 5 PRO HG2 H . . . . . 3.5 1.6 3.8 . . . . . A . 4 CYS HA . . A . 5 PRO HG2 . . . 4 . HA . . . . . 5 . HG# . . c30244_5us3 1 13 2 OR . 1 1 4 4 CYS HA H . . . 1 1 5 5 PRO HG3 H . . . . . 3.5 1.6 3.8 . . . . . A . 4 CYS HA . . A . 5 PRO HG3 . . . 4 . HA . . . . . 5 . HG# . . c30244_5us3 1 14 1 . . 1 1 4 4 CYS HA H . . . 1 1 6 6 GLU H H . . . . . 3.5 1.6 3.8 . . . . . A . 4 CYS HA . . A . 6 GLU H . . . 4 . HA . . . . . 6 . HN . . c30244_5us3 1 15 1 OR . 1 1 4 4 CYS HA H . . . 1 1 20 20 HIS HD2 H . . . . . 3.5 1.6 3.8 . . . . . A . 4 CYS HA . . A . 20 HIS HD2 . . . 4 . HA . . . . . 20 . HD# . . c30244_5us3 1 15 2 OR . 1 1 4 4 CYS HA H . . . 1 1 20 20 HIS HD1 H . . . . . 3.5 1.6 3.8 . . . . . A . 4 CYS HA . . A . 20 HIS HD1 . . . 4 . HA . . . . . 20 . HD# . . c30244_5us3 1 16 1 . . 1 1 4 4 CYS HA H . . . 1 1 21 21 ILE MG H . . . . . 3.5 1.6 3.8 . . . . . A . 4 CYS HA . . A . 21 ILE MG . . . 4 . HA . . . . . 21 . HG2# . . c30244_5us3 1 17 1 OR . 1 1 4 4 CYS HB3 H . . . 1 1 5 5 PRO HD2 H . . . . . 3.5 1.6 3.8 . . . . . A . 4 CYS HB3 . . A . 5 PRO HD2 . . . 4 . HB# . . . . . 5 . HD# . . c30244_5us3 1 17 2 OR . 1 1 4 4 CYS HB2 H . . . 1 1 5 5 PRO HD2 H . . . . . 3.5 1.6 3.8 . . . . . A . 4 CYS HB2 . . A . 5 PRO HD2 . . . 4 . HB# . . . . . 5 . HD# . . c30244_5us3 1 17 3 OR . 1 1 5 5 PRO HD3 H . . . 1 1 4 4 CYS HB2 H . . . . . 3.5 1.6 3.8 . . . . . A . 5 PRO HD3 . . A . 4 CYS HB2 . . . 5 . HD# . . . . . 4 . HB# . . c30244_5us3 1 17 4 OR . 1 1 5 5 PRO HD3 H . . . 1 1 4 4 CYS HB3 H . . . . . 3.5 1.6 3.8 . . . . . A . 5 PRO HD3 . . A . 4 CYS HB3 . . . 5 . HD# . . . . . 4 . HB# . . c30244_5us3 1 18 1 OR . 1 1 4 4 CYS HB3 H . . . 1 1 5 5 PRO HD2 H . . . . . 3.5 1.6 3.8 . . . . . A . 4 CYS HB3 . . A . 5 PRO HD2 . . . 4 . HB# . . . . . 5 . HD# . . c30244_5us3 1 18 2 OR . 1 1 4 4 CYS HB2 H . . . 1 1 5 5 PRO HD2 H . . . . . 3.5 1.6 3.8 . . . . . A . 4 CYS HB2 . . A . 5 PRO HD2 . . . 4 . HB# . . . . . 5 . HD# . . c30244_5us3 1 18 3 OR . 1 1 5 5 PRO HD3 H . . . 1 1 4 4 CYS HB2 H . . . . . 3.5 1.6 3.8 . . . . . A . 5 PRO HD3 . . A . 4 CYS HB2 . . . 5 . HD# . . . . . 4 . HB# . . c30244_5us3 1 18 4 OR . 1 1 5 5 PRO HD3 H . . . 1 1 4 4 CYS HB3 H . . . . . 3.5 1.6 3.8 . . . . . A . 5 PRO HD3 . . A . 4 CYS HB3 . . . 5 . HD# . . . . . 4 . HB# . . c30244_5us3 1 19 1 OR . 1 1 6 6 GLU H H . . . 1 1 4 4 CYS HB2 H . . . . . 3.5 1.6 3.8 . . . . . A . 6 GLU H . . A . 4 CYS HB2 . . . 6 . HN . . . . . 4 . HB# . . c30244_5us3 1 19 2 OR . 1 1 6 6 GLU H H . . . 1 1 4 4 CYS HB3 H . . . . . 3.5 1.6 3.8 . . . . . A . 6 GLU H . . A . 4 CYS HB3 . . . 6 . HN . . . . . 4 . HB# . . c30244_5us3 1 20 1 OR . 1 1 7 7 CYS H H . . . 1 1 4 4 CYS HB2 H . . . . . 3.5 1.6 3.8 . . . . . A . 7 CYS H . . A . 4 CYS HB2 . . . 7 . HN . . . . . 4 . HB# . . c30244_5us3 1 20 2 OR . 1 1 7 7 CYS H H . . . 1 1 4 4 CYS HB3 H . . . . . 3.5 1.6 3.8 . . . . . A . 7 CYS H . . A . 4 CYS HB3 . . . 7 . HN . . . . . 4 . HB# . . c30244_5us3 1 21 1 OR . 1 1 7 7 CYS H H . . . 1 1 4 4 CYS HB2 H . . . . . 3.5 1.6 3.8 . . . . . A . 7 CYS H . . A . 4 CYS HB2 . . . 7 . HN . . . . . 4 . HB# . . c30244_5us3 1 21 2 OR . 1 1 7 7 CYS H H . . . 1 1 4 4 CYS HB3 H . . . . . 3.5 1.6 3.8 . . . . . A . 7 CYS H . . A . 4 CYS HB3 . . . 7 . HN . . . . . 4 . HB# . . c30244_5us3 1 22 1 OR . 1 1 9 9 LYS H H . . . 1 1 4 4 CYS HB2 H . . . . . 3.5 1.6 3.8 . . . . . A . 9 LYS H . . A . 4 CYS HB2 . . . 9 . HN . . . . . 4 . HB# . . c30244_5us3 1 22 2 OR . 1 1 4 4 CYS HB3 H . . . 1 1 9 9 LYS H H . . . . . 3.5 1.6 3.8 . . . . . A . 4 CYS HB3 . . A . 9 LYS H . . . 4 . HB# . . . . . 9 . HN . . c30244_5us3 1 23 1 OR . 1 1 9 9 LYS H H . . . 1 1 4 4 CYS HB2 H . . . . . 3.5 1.6 3.8 . . . . . A . 9 LYS H . . A . 4 CYS HB2 . . . 9 . HN . . . . . 4 . HB# . . c30244_5us3 1 23 2 OR . 1 1 4 4 CYS HB3 H . . . 1 1 9 9 LYS H H . . . . . 3.5 1.6 3.8 . . . . . A . 4 CYS HB3 . . A . 9 LYS H . . . 4 . HB# . . . . . 9 . HN . . c30244_5us3 1 24 1 OR . 1 1 11 11 PHE QE H . . . 1 1 4 4 CYS HB2 H . . . . . 3.5 1.6 3.8 . . . . . A . 11 PHE QE . . A . 4 CYS HB2 . . . 11 . HE# . . . . . 4 . HB# . . c30244_5us3 1 24 2 OR . 1 1 4 4 CYS HB3 H . . . 1 1 11 11 PHE QE H . . . . . 3.5 1.6 3.8 . . . . . A . 4 CYS HB3 . . A . 11 PHE QE . . . 4 . HB# . . . . . 11 . HE# . . c30244_5us3 1 25 1 OR . 1 1 11 11 PHE HZ H . . . 1 1 4 4 CYS HB2 H . . . . . 3.5 1.6 3.8 . . . . . A . 11 PHE HZ . . A . 4 CYS HB2 . . . 11 . HZ . . . . . 4 . HB# . . c30244_5us3 1 25 2 OR . 1 1 4 4 CYS HB3 H . . . 1 1 11 11 PHE HZ H . . . . . 3.5 1.6 3.8 . . . . . A . 4 CYS HB3 . . A . 11 PHE HZ . . . 4 . HB# . . . . . 11 . HZ . . c30244_5us3 1 26 1 OR . 1 1 4 4 CYS HB3 H . . . 1 1 17 17 LEU MD1 H . . . . . 3.5 1.6 3.8 . . . . . A . 4 CYS HB3 . . A . 17 LEU MD1 . . . 4 . HB# . . . . . 17 . HD## . . c30244_5us3 1 26 2 OR . 1 1 4 4 CYS HB2 H . . . 1 1 17 17 LEU MD1 H . . . . . 3.5 1.6 3.8 . . . . . A . 4 CYS HB2 . . A . 17 LEU MD1 . . . 4 . HB# . . . . . 17 . HD## . . c30244_5us3 1 26 3 OR . 1 1 17 17 LEU MD2 H . . . 1 1 4 4 CYS HB2 H . . . . . 3.5 1.6 3.8 . . . . . A . 17 LEU MD2 . . A . 4 CYS HB2 . . . 17 . HD## . . . . . 4 . HB# . . c30244_5us3 1 26 4 OR . 1 1 17 17 LEU MD2 H . . . 1 1 4 4 CYS HB3 H . . . . . 3.5 1.6 3.8 . . . . . A . 17 LEU MD2 . . A . 4 CYS HB3 . . . 17 . HD## . . . . . 4 . HB# . . c30244_5us3 1 27 1 OR . 1 1 20 20 HIS HD2 H . . . 1 1 4 4 CYS HB2 H . . . . . 3.5 1.6 3.8 . . . . . A . 20 HIS HD2 . . A . 4 CYS HB2 . . . 20 . HD# . . . . . 4 . HB# . . c30244_5us3 1 27 2 OR . 1 1 20 20 HIS HD1 H . . . 1 1 4 4 CYS HB2 H . . . . . 3.5 1.6 3.8 . . . . . A . 20 HIS HD1 . . A . 4 CYS HB2 . . . 20 . HD# . . . . . 4 . HB# . . c30244_5us3 1 27 3 OR . 1 1 4 4 CYS HB3 H . . . 1 1 20 20 HIS HD2 H . . . . . 3.5 1.6 3.8 . . . . . A . 4 CYS HB3 . . A . 20 HIS HD2 . . . 4 . HB# . . . . . 20 . HD# . . c30244_5us3 1 27 4 OR . 1 1 20 20 HIS HD1 H . . . 1 1 4 4 CYS HB3 H . . . . . 3.5 1.6 3.8 . . . . . A . 20 HIS HD1 . . A . 4 CYS HB3 . . . 20 . HD# . . . . . 4 . HB# . . c30244_5us3 1 28 1 OR . 1 1 20 20 HIS HD2 H . . . 1 1 4 4 CYS HB2 H . . . . . 3.5 1.6 3.8 . . . . . A . 20 HIS HD2 . . A . 4 CYS HB2 . . . 20 . HD# . . . . . 4 . HB# . . c30244_5us3 1 28 2 OR . 1 1 20 20 HIS HD1 H . . . 1 1 4 4 CYS HB2 H . . . . . 3.5 1.6 3.8 . . . . . A . 20 HIS HD1 . . A . 4 CYS HB2 . . . 20 . HD# . . . . . 4 . HB# . . c30244_5us3 1 28 3 OR . 1 1 4 4 CYS HB3 H . . . 1 1 20 20 HIS HD2 H . . . . . 3.5 1.6 3.8 . . . . . A . 4 CYS HB3 . . A . 20 HIS HD2 . . . 4 . HB# . . . . . 20 . HD# . . c30244_5us3 1 28 4 OR . 1 1 20 20 HIS HD1 H . . . 1 1 4 4 CYS HB3 H . . . . . 3.5 1.6 3.8 . . . . . A . 20 HIS HD1 . . A . 4 CYS HB3 . . . 20 . HD# . . . . . 4 . HB# . . c30244_5us3 1 29 1 OR . 1 1 21 21 ILE MG H . . . 1 1 4 4 CYS HB2 H . . . . . 3.5 1.6 3.8 . . . . . A . 21 ILE MG . . A . 4 CYS HB2 . . . 21 . HG2# . . . . . 4 . HB# . . c30244_5us3 1 29 2 OR . 1 1 21 21 ILE MG H . . . 1 1 4 4 CYS HB3 H . . . . . 3.5 1.6 3.8 . . . . . A . 21 ILE MG . . A . 4 CYS HB3 . . . 21 . HG2# . . . . . 4 . HB# . . c30244_5us3 1 30 1 OR . 1 1 6 6 GLU H H . . . 1 1 5 5 PRO HD2 H . . . . . 3.5 1.6 3.8 . . . . . A . 6 GLU H . . A . 5 PRO HD2 . . . 6 . HN . . . . . 5 . HD# . . c30244_5us3 1 30 2 OR . 1 1 5 5 PRO HD3 H . . . 1 1 6 6 GLU H H . . . . . 3.5 1.6 3.8 . . . . . A . 5 PRO HD3 . . A . 6 GLU H . . . 5 . HD# . . . . . 6 . HN . . c30244_5us3 1 31 1 OR . 1 1 6 6 GLU H H . . . 1 1 5 5 PRO HG2 H . . . . . 3.5 1.6 3.8 . . . . . A . 6 GLU H . . A . 5 PRO HG2 . . . 6 . HN . . . . . 5 . HG# . . c30244_5us3 1 31 2 OR . 1 1 6 6 GLU H H . . . 1 1 5 5 PRO HG3 H . . . . . 3.5 1.6 3.8 . . . . . A . 6 GLU H . . A . 5 PRO HG3 . . . 6 . HN . . . . . 5 . HG# . . c30244_5us3 1 32 1 OR . 1 1 6 6 GLU H H . . . 1 1 5 5 PRO HG2 H . . . . . 3.5 1.6 3.8 . . . . . A . 6 GLU H . . A . 5 PRO HG2 . . . 6 . HN . . . . . 5 . HG# . . c30244_5us3 1 32 2 OR . 1 1 6 6 GLU H H . . . 1 1 5 5 PRO HG3 H . . . . . 3.5 1.6 3.8 . . . . . A . 6 GLU H . . A . 5 PRO HG3 . . . 6 . HN . . . . . 5 . HG# . . c30244_5us3 1 33 1 OR . 1 1 7 7 CYS H H . . . 1 1 5 5 PRO HG2 H . . . . . 3.5 1.6 3.8 . . . . . A . 7 CYS H . . A . 5 PRO HG2 . . . 7 . HN . . . . . 5 . HG# . . c30244_5us3 1 33 2 OR . 1 1 7 7 CYS H H . . . 1 1 5 5 PRO HG3 H . . . . . 3.5 1.6 3.8 . . . . . A . 7 CYS H . . A . 5 PRO HG3 . . . 7 . HN . . . . . 5 . HG# . . c30244_5us3 1 34 1 . . 1 1 6 6 GLU H H . . . 1 1 6 6 GLU HA H . . . . . 3.5 1.6 3.8 . . . . . A . 6 GLU H . . A . 6 GLU HA . . . 6 . HN . . . . . 6 . HA . . c30244_5us3 1 35 1 . . 1 1 7 7 CYS H H . . . 1 1 6 6 GLU HA H . . . . . 3.5 1.6 3.8 . . . . . A . 7 CYS H . . A . 6 GLU HA . . . 7 . HN . . . . . 6 . HA . . c30244_5us3 1 36 1 OR . 1 1 7 7 CYS H H . . . 1 1 6 6 GLU HB2 H . . . . . 3.5 1.6 3.8 . . . . . A . 7 CYS H . . A . 6 GLU HB2 . . . 7 . HN . . . . . 6 . HB# . . c30244_5us3 1 36 2 OR . 1 1 7 7 CYS H H . . . 1 1 6 6 GLU HB3 H . . . . . 3.5 1.6 3.8 . . . . . A . 7 CYS H . . A . 6 GLU HB3 . . . 7 . HN . . . . . 6 . HB# . . c30244_5us3 1 37 1 OR . 1 1 24 24 HIS HD1 H . . . 1 1 6 6 GLU HB2 H . . . . . 3.5 1.6 3.8 . . . . . A . 24 HIS HD1 . . A . 6 GLU HB2 . . . 24 . HD# . . . . . 6 . HB# . . c30244_5us3 1 37 2 OR . 1 1 24 24 HIS HD2 H . . . 1 1 6 6 GLU HB2 H . . . . . 3.5 1.6 3.8 . . . . . A . 24 HIS HD2 . . A . 6 GLU HB2 . . . 24 . HD# . . . . . 6 . HB# . . c30244_5us3 1 37 3 OR . 1 1 6 6 GLU HB3 H . . . 1 1 24 24 HIS HD2 H . . . . . 3.5 1.6 3.8 . . . . . A . 6 GLU HB3 . . A . 24 HIS HD2 . . . 6 . HB# . . . . . 24 . HD# . . c30244_5us3 1 37 4 OR . 1 1 6 6 GLU HB3 H . . . 1 1 24 24 HIS HD1 H . . . . . 3.5 1.6 3.8 . . . . . A . 6 GLU HB3 . . A . 24 HIS HD1 . . . 6 . HB# . . . . . 24 . HD# . . c30244_5us3 1 38 1 OR . 1 1 7 7 CYS H H . . . 1 1 6 6 GLU HG2 H . . . . . 3.5 1.6 3.8 . . . . . A . 7 CYS H . . A . 6 GLU HG2 . . . 7 . HN . . . . . 6 . HG# . . c30244_5us3 1 38 2 OR . 1 1 7 7 CYS H H . . . 1 1 6 6 GLU HG3 H . . . . . 3.5 1.6 3.8 . . . . . A . 7 CYS H . . A . 6 GLU HG3 . . . 7 . HN . . . . . 6 . HG# . . c30244_5us3 1 39 1 OR . 1 1 9 9 LYS H H . . . 1 1 7 7 CYS HB2 H . . . . . 3.5 1.6 3.8 . . . . . A . 9 LYS H . . A . 7 CYS HB2 . . . 9 . HN . . . . . 7 . HB# . . c30244_5us3 1 39 2 OR . 1 1 7 7 CYS HB3 H . . . 1 1 9 9 LYS H H . . . . . 3.5 1.6 3.8 . . . . . A . 7 CYS HB3 . . A . 9 LYS H . . . 7 . HB# . . . . . 9 . HN . . c30244_5us3 1 40 1 OR . 1 1 9 9 LYS H H . . . 1 1 7 7 CYS HB2 H . . . . . 3.5 1.6 3.8 . . . . . A . 9 LYS H . . A . 7 CYS HB2 . . . 9 . HN . . . . . 7 . HB# . . c30244_5us3 1 40 2 OR . 1 1 7 7 CYS HB3 H . . . 1 1 9 9 LYS H H . . . . . 3.5 1.6 3.8 . . . . . A . 7 CYS HB3 . . A . 9 LYS H . . . 7 . HB# . . . . . 9 . HN . . c30244_5us3 1 41 1 . . 1 1 9 9 LYS H H . . . 1 1 8 8 PRO HA H . . . . . 3.5 1.6 3.8 . . . . . A . 9 LYS H . . A . 8 PRO HA . . . 9 . HN . . . . . 8 . HA . . c30244_5us3 1 42 1 OR . 1 1 7 7 CYS H H . . . 1 1 8 8 PRO HD2 H . . . . . 3.5 1.6 3.8 . . . . . A . 7 CYS H . . A . 8 PRO HD2 . . . 7 . HN . . . . . 8 . HD# . . c30244_5us3 1 42 2 OR . 1 1 8 8 PRO HD3 H . . . 1 1 7 7 CYS H H . . . . . 3.5 1.6 3.8 . . . . . A . 8 PRO HD3 . . A . 7 CYS H . . . 8 . HD# . . . . . 7 . HN . . c30244_5us3 1 43 1 OR . 1 1 7 7 CYS H H . . . 1 1 8 8 PRO HD2 H . . . . . 3.5 1.6 3.8 . . . . . A . 7 CYS H . . A . 8 PRO HD2 . . . 7 . HN . . . . . 8 . HD# . . c30244_5us3 1 43 2 OR . 1 1 8 8 PRO HD3 H . . . 1 1 7 7 CYS H H . . . . . 3.5 1.6 3.8 . . . . . A . 8 PRO HD3 . . A . 7 CYS H . . . 8 . HD# . . . . . 7 . HN . . c30244_5us3 1 44 1 OR . 1 1 9 9 LYS H H . . . 1 1 8 8 PRO HD2 H . . . . . 3.5 1.6 3.8 . . . . . A . 9 LYS H . . A . 8 PRO HD2 . . . 9 . HN . . . . . 8 . HD# . . c30244_5us3 1 44 2 OR . 1 1 8 8 PRO HD3 H . . . 1 1 9 9 LYS H H . . . . . 3.5 1.6 3.8 . . . . . A . 8 PRO HD3 . . A . 9 LYS H . . . 8 . HD# . . . . . 9 . HN . . c30244_5us3 1 45 1 OR . 1 1 9 9 LYS H H . . . 1 1 8 8 PRO HD2 H . . . . . 3.5 1.6 3.8 . . . . . A . 9 LYS H . . A . 8 PRO HD2 . . . 9 . HN . . . . . 8 . HD# . . c30244_5us3 1 45 2 OR . 1 1 8 8 PRO HD3 H . . . 1 1 9 9 LYS H H . . . . . 3.5 1.6 3.8 . . . . . A . 8 PRO HD3 . . A . 9 LYS H . . . 8 . HD# . . . . . 9 . HN . . c30244_5us3 1 46 1 OR . 1 1 11 11 PHE QE H . . . 1 1 9 9 LYS HG2 H . . . . . 3.5 1.6 3.8 . . . . . A . 11 PHE QE . . A . 9 LYS HG2 . . . 11 . HE# . . . . . 9 . HG# . . c30244_5us3 1 46 2 OR . 1 1 11 11 PHE QE H . . . 1 1 9 9 LYS HG3 H . . . . . 3.5 1.6 3.8 . . . . . A . 11 PHE QE . . A . 9 LYS HG3 . . . 11 . HE# . . . . . 9 . HG# . . c30244_5us3 1 47 1 OR . 1 1 11 11 PHE HZ H . . . 1 1 9 9 LYS HG2 H . . . . . 3.5 1.6 3.8 . . . . . A . 11 PHE HZ . . A . 9 LYS HG2 . . . 11 . HZ . . . . . 9 . HG# . . c30244_5us3 1 47 2 OR . 1 1 11 11 PHE HZ H . . . 1 1 9 9 LYS HG3 H . . . . . 3.5 1.6 3.8 . . . . . A . 11 PHE HZ . . A . 9 LYS HG3 . . . 11 . HZ . . . . . 9 . HG# . . c30244_5us3 1 48 1 . . 1 1 10 10 MMO HA H . . . 1 1 11 11 PHE QD H . . . . . 3.5 1.6 3.8 . . . . . A . 10 MMO HA . . A . 11 PHE QD . . . 10 . HA . . . . . 11 . HD# . . c30244_5us3 1 49 1 . . 1 1 10 10 MMO HA H . . . 1 1 11 11 PHE QE H . . . . . 3.5 1.6 3.8 . . . . . A . 10 MMO HA . . A . 11 PHE QE . . . 10 . HA . . . . . 11 . HE# . . c30244_5us3 1 50 1 OR . 1 1 11 11 PHE QE H . . . 1 1 4 4 CYS HB2 H . . . . . 3.5 1.6 3.8 . . . . . A . 11 PHE QE . . A . 4 CYS HB2 . . . 11 . HE# . . . . . 4 . HB# . . c30244_5us3 1 50 2 OR . 1 1 4 4 CYS HB3 H . . . 1 1 11 11 PHE QE H . . . . . 3.5 1.6 3.8 . . . . . A . 4 CYS HB3 . . A . 11 PHE QE . . . 4 . HB# . . . . . 11 . HE# . . c30244_5us3 1 51 1 . . 1 1 9 9 LYS H H . . . 1 1 11 11 PHE QE H . . . . . 3.5 1.6 3.8 . . . . . A . 9 LYS H . . A . 11 PHE QE . . . 9 . HN . . . . . 11 . HE# . . c30244_5us3 1 52 1 . . 1 1 11 11 PHE QE H . . . 1 1 17 17 LEU H H . . . . . 3.5 1.6 3.8 . . . . . A . 11 PHE QE . . A . 17 LEU H . . . 11 . HE# . . . . . 17 . HN . . c30244_5us3 1 53 1 OR . 1 1 11 11 PHE QE H . . . 1 1 20 20 HIS HD2 H . . . . . 3.5 1.6 3.8 . . . . . A . 11 PHE QE . . A . 20 HIS HD2 . . . 11 . HE# . . . . . 20 . HD# . . c30244_5us3 1 53 2 OR . 1 1 20 20 HIS HD1 H . . . 1 1 11 11 PHE QE H . . . . . 3.5 1.6 3.8 . . . . . A . 20 HIS HD1 . . A . 11 PHE QE . . . 20 . HD# . . . . . 11 . HE# . . c30244_5us3 1 54 1 OR . 1 1 11 11 PHE HZ H . . . 1 1 20 20 HIS HD2 H . . . . . 3.5 1.6 3.8 . . . . . A . 11 PHE HZ . . A . 20 HIS HD2 . . . 11 . HZ . . . . . 20 . HD# . . c30244_5us3 1 54 2 OR . 1 1 20 20 HIS HD1 H . . . 1 1 11 11 PHE HZ H . . . . . 3.5 1.6 3.8 . . . . . A . 20 HIS HD1 . . A . 11 PHE HZ . . . 20 . HD# . . . . . 11 . HZ . . c30244_5us3 1 55 1 . . 1 1 17 17 LEU H H . . . 1 1 14 14 SER HA H . . . . . 3.5 1.6 3.8 . . . . . A . 17 LEU H . . A . 14 SER HA . . . 17 . HN . . . . . 14 . HA . . c30244_5us3 1 56 1 . . 1 1 15 15 B3D HB H . . . 1 1 18 18 SER H H . . . . . 3.5 1.6 3.8 . . . . . A . 15 B3D HB . . A . 18 SER H . . . 15 . HB . . . . . 18 . HN . . c30244_5us3 1 57 1 . . 1 1 11 11 PHE QE H . . . 1 1 17 17 LEU HA H . . . . . 3.5 1.6 3.8 . . . . . A . 11 PHE QE . . A . 17 LEU HA . . . 11 . HE# . . . . . 17 . HA . . c30244_5us3 1 58 1 . . 1 1 17 17 LEU HA H . . . 1 1 20 20 HIS HA H . . . . . 3.5 1.6 3.8 . . . . . A . 17 LEU HA . . A . 20 HIS HA . . . 17 . HA . . . . . 20 . HA . . c30244_5us3 1 59 1 . . 1 1 17 17 LEU HA H . . . 1 1 20 20 HIS H H . . . . . 3.5 1.6 3.8 . . . . . A . 17 LEU HA . . A . 20 HIS H . . . 17 . HA . . . . . 20 . HN . . c30244_5us3 1 60 1 OR . 1 1 18 18 SER H H . . . 1 1 17 17 LEU HB2 H . . . . . 3.5 1.6 3.8 . . . . . A . 18 SER H . . A . 17 LEU HB2 . . . 18 . HN . . . . . 17 . HB# . . c30244_5us3 1 60 2 OR . 1 1 18 18 SER H H . . . 1 1 17 17 LEU HB3 H . . . . . 3.5 1.6 3.8 . . . . . A . 18 SER H . . A . 17 LEU HB3 . . . 18 . HN . . . . . 17 . HB# . . c30244_5us3 1 61 1 OR . 1 1 4 4 CYS HB3 H . . . 1 1 17 17 LEU MD1 H . . . . . 3.5 1.6 3.8 . . . . . A . 4 CYS HB3 . . A . 17 LEU MD1 . . . 4 . HB# . . . . . 17 . HD## . . c30244_5us3 1 61 2 OR . 1 1 4 4 CYS HB2 H . . . 1 1 17 17 LEU MD1 H . . . . . 3.5 1.6 3.8 . . . . . A . 4 CYS HB2 . . A . 17 LEU MD1 . . . 4 . HB# . . . . . 17 . HD## . . c30244_5us3 1 61 3 OR . 1 1 17 17 LEU MD2 H . . . 1 1 4 4 CYS HB2 H . . . . . 3.5 1.6 3.8 . . . . . A . 17 LEU MD2 . . A . 4 CYS HB2 . . . 17 . HD## . . . . . 4 . HB# . . c30244_5us3 1 61 4 OR . 1 1 17 17 LEU MD2 H . . . 1 1 4 4 CYS HB3 H . . . . . 3.5 1.6 3.8 . . . . . A . 17 LEU MD2 . . A . 4 CYS HB3 . . . 17 . HD## . . . . . 4 . HB# . . c30244_5us3 1 62 1 OR . 1 1 5 5 PRO HD3 H . . . 1 1 17 17 LEU MD1 H . . . . . 3.5 1.6 3.8 . . . . . A . 5 PRO HD3 . . A . 17 LEU MD1 . . . 5 . HD# . . . . . 17 . HD## . . c30244_5us3 1 62 2 OR . 1 1 17 17 LEU MD2 H . . . 1 1 5 5 PRO HD2 H . . . . . 3.5 1.6 3.8 . . . . . A . 17 LEU MD2 . . A . 5 PRO HD2 . . . 17 . HD## . . . . . 5 . HD# . . c30244_5us3 1 62 3 OR . 1 1 5 5 PRO HD3 H . . . 1 1 17 17 LEU MD2 H . . . . . 3.5 1.6 3.8 . . . . . A . 5 PRO HD3 . . A . 17 LEU MD2 . . . 5 . HD# . . . . . 17 . HD## . . c30244_5us3 1 62 4 OR . 1 1 5 5 PRO HD2 H . . . 1 1 17 17 LEU MD1 H . . . . . 3.5 1.6 3.8 . . . . . A . 5 PRO HD2 . . A . 17 LEU MD1 . . . 5 . HD# . . . . . 17 . HD## . . c30244_5us3 1 63 1 OR . 1 1 10 10 MMO HA H . . . 1 1 17 17 LEU MD1 H . . . . . 3.5 1.6 3.8 . . . . . A . 10 MMO HA . . A . 17 LEU MD1 . . . 10 . HA . . . . . 17 . HD## . . c30244_5us3 1 63 2 OR . 1 1 10 10 MMO HA H . . . 1 1 17 17 LEU MD2 H . . . . . 3.5 1.6 3.8 . . . . . A . 10 MMO HA . . A . 17 LEU MD2 . . . 10 . HA . . . . . 17 . HD## . . c30244_5us3 1 64 1 OR . 1 1 11 11 PHE QD H . . . 1 1 17 17 LEU MD1 H . . . . . 3.5 1.6 3.8 . . . . . A . 11 PHE QD . . A . 17 LEU MD1 . . . 11 . HD# . . . . . 17 . HD## . . c30244_5us3 1 64 2 OR . 1 1 17 17 LEU MD2 H . . . 1 1 11 11 PHE QD H . . . . . 3.5 1.6 3.8 . . . . . A . 17 LEU MD2 . . A . 11 PHE QD . . . 17 . HD## . . . . . 11 . HD# . . c30244_5us3 1 65 1 OR . 1 1 11 11 PHE QD H . . . 1 1 17 17 LEU MD1 H . . . . . 3.5 1.6 3.8 . . . . . A . 11 PHE QD . . A . 17 LEU MD1 . . . 11 . HD# . . . . . 17 . HD## . . c30244_5us3 1 65 2 OR . 1 1 17 17 LEU MD2 H . . . 1 1 11 11 PHE QD H . . . . . 3.5 1.6 3.8 . . . . . A . 17 LEU MD2 . . A . 11 PHE QD . . . 17 . HD## . . . . . 11 . HD# . . c30244_5us3 1 66 1 OR . 1 1 11 11 PHE QE H . . . 1 1 17 17 LEU MD1 H . . . . . 3.5 1.6 3.8 . . . . . A . 11 PHE QE . . A . 17 LEU MD1 . . . 11 . HE# . . . . . 17 . HD## . . c30244_5us3 1 66 2 OR . 1 1 17 17 LEU MD2 H . . . 1 1 11 11 PHE QE H . . . . . 3.5 1.6 3.8 . . . . . A . 17 LEU MD2 . . A . 11 PHE QE . . . 17 . HD## . . . . . 11 . HE# . . c30244_5us3 1 67 1 OR . 1 1 11 11 PHE QE H . . . 1 1 17 17 LEU MD1 H . . . . . 3.5 1.6 3.8 . . . . . A . 11 PHE QE . . A . 17 LEU MD1 . . . 11 . HE# . . . . . 17 . HD## . . c30244_5us3 1 67 2 OR . 1 1 17 17 LEU MD2 H . . . 1 1 11 11 PHE QE H . . . . . 3.5 1.6 3.8 . . . . . A . 17 LEU MD2 . . A . 11 PHE QE . . . 17 . HD## . . . . . 11 . HE# . . c30244_5us3 1 68 1 OR . 1 1 14 14 SER HA H . . . 1 1 17 17 LEU MD1 H . . . . . 3.5 1.6 3.8 . . . . . A . 14 SER HA . . A . 17 LEU MD1 . . . 14 . HA . . . . . 17 . HD## . . c30244_5us3 1 68 2 OR . 1 1 17 17 LEU MD2 H . . . 1 1 14 14 SER HA H . . . . . 3.5 1.6 3.8 . . . . . A . 17 LEU MD2 . . A . 14 SER HA . . . 17 . HD## . . . . . 14 . HA . . c30244_5us3 1 69 1 OR . 1 1 14 14 SER HA H . . . 1 1 17 17 LEU MD1 H . . . . . 3.5 1.6 3.8 . . . . . A . 14 SER HA . . A . 17 LEU MD1 . . . 14 . HA . . . . . 17 . HD## . . c30244_5us3 1 69 2 OR . 1 1 17 17 LEU MD2 H . . . 1 1 14 14 SER HA H . . . . . 3.5 1.6 3.8 . . . . . A . 17 LEU MD2 . . A . 14 SER HA . . . 17 . HD## . . . . . 14 . HA . . c30244_5us3 1 70 1 OR . 1 1 18 18 SER H H . . . 1 1 17 17 LEU MD1 H . . . . . 3.5 1.6 3.8 . . . . . A . 18 SER H . . A . 17 LEU MD1 . . . 18 . HN . . . . . 17 . HD## . . c30244_5us3 1 70 2 OR . 1 1 17 17 LEU MD2 H . . . 1 1 18 18 SER H H . . . . . 3.5 1.6 3.8 . . . . . A . 17 LEU MD2 . . A . 18 SER H . . . 17 . HD## . . . . . 18 . HN . . c30244_5us3 1 71 1 OR . 1 1 18 18 SER H H . . . 1 1 17 17 LEU MD1 H . . . . . 3.5 1.6 3.8 . . . . . A . 18 SER H . . A . 17 LEU MD1 . . . 18 . HN . . . . . 17 . HD## . . c30244_5us3 1 71 2 OR . 1 1 17 17 LEU MD2 H . . . 1 1 18 18 SER H H . . . . . 3.5 1.6 3.8 . . . . . A . 17 LEU MD2 . . A . 18 SER H . . . 17 . HD## . . . . . 18 . HN . . c30244_5us3 1 72 1 OR . 1 1 17 17 LEU MD1 H . . . 1 1 20 20 HIS HB2 H . . . . . 3.5 1.6 3.8 . . . . . A . 17 LEU MD1 . . A . 20 HIS HB2 . . . 17 . HD## . . . . . 20 . HB# . . c30244_5us3 1 72 2 OR . 1 1 17 17 LEU MD2 H . . . 1 1 20 20 HIS HB2 H . . . . . 3.5 1.6 3.8 . . . . . A . 17 LEU MD2 . . A . 20 HIS HB2 . . . 17 . HD## . . . . . 20 . HB# . . c30244_5us3 1 72 3 OR . 1 1 20 20 HIS HB3 H . . . 1 1 17 17 LEU MD1 H . . . . . 3.5 1.6 3.8 . . . . . A . 20 HIS HB3 . . A . 17 LEU MD1 . . . 20 . HB# . . . . . 17 . HD## . . c30244_5us3 1 72 4 OR . 1 1 17 17 LEU MD2 H . . . 1 1 20 20 HIS HB3 H . . . . . 3.5 1.6 3.8 . . . . . A . 17 LEU MD2 . . A . 20 HIS HB3 . . . 17 . HD## . . . . . 20 . HB# . . c30244_5us3 1 73 1 OR . 1 1 20 20 HIS H H . . . 1 1 17 17 LEU MD1 H . . . . . 3.5 1.6 3.8 . . . . . A . 20 HIS H . . A . 17 LEU MD1 . . . 20 . HN . . . . . 17 . HD## . . c30244_5us3 1 73 2 OR . 1 1 17 17 LEU MD2 H . . . 1 1 20 20 HIS H H . . . . . 3.5 1.6 3.8 . . . . . A . 17 LEU MD2 . . A . 20 HIS H . . . 17 . HD## . . . . . 20 . HN . . c30244_5us3 1 74 1 OR . 1 1 21 21 ILE HB H . . . 1 1 17 17 LEU MD1 H . . . . . 3.5 1.6 3.8 . . . . . A . 21 ILE HB . . A . 17 LEU MD1 . . . 21 . HB . . . . . 17 . HD## . . c30244_5us3 1 74 2 OR . 1 1 17 17 LEU MD2 H . . . 1 1 21 21 ILE HB H . . . . . 3.5 1.6 3.8 . . . . . A . 17 LEU MD2 . . A . 21 ILE HB . . . 17 . HD## . . . . . 21 . HB . . c30244_5us3 1 75 1 . . 1 1 17 17 LEU H H . . . 1 1 18 18 SER H H . . . . . 3.5 1.6 3.8 . . . . . A . 17 LEU H . . A . 18 SER H . . . 17 . HN . . . . . 18 . HN . . c30244_5us3 1 76 1 . . 1 1 20 20 HIS H H . . . 1 1 19 19 B3K HB H . . . . . 3.5 1.6 3.8 . . . . . A . 20 HIS H . . A . 19 B3K HB . . . 20 . HN . . . . . 19 . HB . . c30244_5us3 1 77 1 . . 1 1 20 20 HIS HA H . . . 1 1 21 21 ILE H H . . . . . 3.5 1.6 3.8 . . . . . A . 20 HIS HA . . A . 21 ILE H . . . 20 . HA . . . . . 21 . HN . . c30244_5us3 1 78 1 . . 1 1 23 23 THR H H . . . 1 1 20 20 HIS HA H . . . . . 3.5 1.6 3.8 . . . . . A . 23 THR H . . A . 20 HIS HA . . . 23 . HN . . . . . 20 . HA . . c30244_5us3 1 79 1 OR . 1 1 11 11 PHE QE H . . . 1 1 20 20 HIS HB2 H . . . . . 3.5 1.6 3.8 . . . . . A . 11 PHE QE . . A . 20 HIS HB2 . . . 11 . HE# . . . . . 20 . HB# . . c30244_5us3 1 79 2 OR . 1 1 11 11 PHE QE H . . . 1 1 20 20 HIS HB3 H . . . . . 3.5 1.6 3.8 . . . . . A . 11 PHE QE . . A . 20 HIS HB3 . . . 11 . HE# . . . . . 20 . HB# . . c30244_5us3 1 80 1 OR . 1 1 11 11 PHE HZ H . . . 1 1 20 20 HIS HB2 H . . . . . 3.5 1.6 3.8 . . . . . A . 11 PHE HZ . . A . 20 HIS HB2 . . . 11 . HZ . . . . . 20 . HB# . . c30244_5us3 1 80 2 OR . 1 1 11 11 PHE HZ H . . . 1 1 20 20 HIS HB3 H . . . . . 3.5 1.6 3.8 . . . . . A . 11 PHE HZ . . A . 20 HIS HB3 . . . 11 . HZ . . . . . 20 . HB# . . c30244_5us3 1 81 1 OR . 1 1 17 17 LEU HA H . . . 1 1 20 20 HIS HB2 H . . . . . 3.5 1.6 3.8 . . . . . A . 17 LEU HA . . A . 20 HIS HB2 . . . 17 . HA . . . . . 20 . HB# . . c30244_5us3 1 81 2 OR . 1 1 17 17 LEU HA H . . . 1 1 20 20 HIS HB3 H . . . . . 3.5 1.6 3.8 . . . . . A . 17 LEU HA . . A . 20 HIS HB3 . . . 17 . HA . . . . . 20 . HB# . . c30244_5us3 1 82 1 OR . 1 1 17 17 LEU H H . . . 1 1 20 20 HIS HB2 H . . . . . 3.5 1.6 3.8 . . . . . A . 17 LEU H . . A . 20 HIS HB2 . . . 17 . HN . . . . . 20 . HB# . . c30244_5us3 1 82 2 OR . 1 1 17 17 LEU H H . . . 1 1 20 20 HIS HB3 H . . . . . 3.5 1.6 3.8 . . . . . A . 17 LEU H . . A . 20 HIS HB3 . . . 17 . HN . . . . . 20 . HB# . . c30244_5us3 1 83 1 OR . 1 1 20 20 HIS HD1 H . . . 1 1 20 20 HIS HB2 H . . . . . 3.5 1.6 3.8 . . . . . A . 20 HIS HD1 . . A . 20 HIS HB2 . . . 20 . HD# . . . . . 20 . HB# . . c30244_5us3 1 83 2 OR . 1 1 20 20 HIS HD2 H . . . 1 1 20 20 HIS HB2 H . . . . . 3.5 1.6 3.8 . . . . . A . 20 HIS HD2 . . A . 20 HIS HB2 . . . 20 . HD# . . . . . 20 . HB# . . c30244_5us3 1 83 3 OR . 1 1 20 20 HIS HB3 H . . . 1 1 20 20 HIS HD2 H . . . . . 3.5 1.6 3.8 . . . . . A . 20 HIS HB3 . . A . 20 HIS HD2 . . . 20 . HB# . . . . . 20 . HD# . . c30244_5us3 1 83 4 OR . 1 1 20 20 HIS HD1 H . . . 1 1 20 20 HIS HB3 H . . . . . 3.5 1.6 3.8 . . . . . A . 20 HIS HD1 . . A . 20 HIS HB3 . . . 20 . HD# . . . . . 20 . HB# . . c30244_5us3 1 84 1 OR . 1 1 21 21 ILE H H . . . 1 1 20 20 HIS HB2 H . . . . . 3.5 1.6 3.8 . . . . . A . 21 ILE H . . A . 20 HIS HB2 . . . 21 . HN . . . . . 20 . HB# . . c30244_5us3 1 84 2 OR . 1 1 20 20 HIS HB3 H . . . 1 1 21 21 ILE H H . . . . . 3.5 1.6 3.8 . . . . . A . 20 HIS HB3 . . A . 21 ILE H . . . 20 . HB# . . . . . 21 . HN . . c30244_5us3 1 85 1 OR . 1 1 21 21 ILE H H . . . 1 1 20 20 HIS HD2 H . . . . . 3.5 1.6 3.8 . . . . . A . 21 ILE H . . A . 20 HIS HD2 . . . 21 . HN . . . . . 20 . HD# . . c30244_5us3 1 85 2 OR . 1 1 20 20 HIS HD1 H . . . 1 1 21 21 ILE H H . . . . . 3.5 1.6 3.8 . . . . . A . 20 HIS HD1 . . A . 21 ILE H . . . 20 . HD# . . . . . 21 . HN . . c30244_5us3 1 86 1 . . 1 1 20 20 HIS H H . . . 1 1 21 21 ILE H H . . . . . 3.5 1.6 3.8 . . . . . A . 20 HIS H . . A . 21 ILE H . . . 20 . HN . . . . . 21 . HN . . c30244_5us3 1 87 1 OR . 1 1 21 21 ILE HB H . . . 1 1 20 20 HIS HD2 H . . . . . 3.5 1.6 3.8 . . . . . A . 21 ILE HB . . A . 20 HIS HD2 . . . 21 . HB . . . . . 20 . HD# . . c30244_5us3 1 87 2 OR . 1 1 20 20 HIS HD1 H . . . 1 1 21 21 ILE HB H . . . . . 3.5 1.6 3.8 . . . . . A . 20 HIS HD1 . . A . 21 ILE HB . . . 20 . HD# . . . . . 21 . HB . . c30244_5us3 1 88 1 OR . 1 1 21 21 ILE MG H . . . 1 1 5 5 PRO HD2 H . . . . . 3.5 1.6 3.8 . . . . . A . 21 ILE MG . . A . 5 PRO HD2 . . . 21 . HG2# . . . . . 5 . HD# . . c30244_5us3 1 88 2 OR . 1 1 5 5 PRO HD3 H . . . 1 1 21 21 ILE MG H . . . . . 3.5 1.6 3.8 . . . . . A . 5 PRO HD3 . . A . 21 ILE MG . . . 5 . HD# . . . . . 21 . HG2# . . c30244_5us3 1 89 1 OR . 1 1 21 21 ILE MG H . . . 1 1 5 5 PRO HG2 H . . . . . 3.5 1.6 3.8 . . . . . A . 21 ILE MG . . A . 5 PRO HG2 . . . 21 . HG2# . . . . . 5 . HG# . . c30244_5us3 1 89 2 OR . 1 1 21 21 ILE MG H . . . 1 1 5 5 PRO HG3 H . . . . . 3.5 1.6 3.8 . . . . . A . 21 ILE MG . . A . 5 PRO HG3 . . . 21 . HG2# . . . . . 5 . HG# . . c30244_5us3 1 90 1 OR . 1 1 21 21 ILE MG H . . . 1 1 5 5 PRO HG2 H . . . . . 3.5 1.6 3.8 . . . . . A . 21 ILE MG . . A . 5 PRO HG2 . . . 21 . HG2# . . . . . 5 . HG# . . c30244_5us3 1 90 2 OR . 1 1 21 21 ILE MG H . . . 1 1 5 5 PRO HG3 H . . . . . 3.5 1.6 3.8 . . . . . A . 21 ILE MG . . A . 5 PRO HG3 . . . 21 . HG2# . . . . . 5 . HG# . . c30244_5us3 1 91 1 OR . 1 1 21 21 ILE MG H . . . 1 1 20 20 HIS HD2 H . . . . . 3.5 1.6 3.8 . . . . . A . 21 ILE MG . . A . 20 HIS HD2 . . . 21 . HG2# . . . . . 20 . HD# . . c30244_5us3 1 91 2 OR . 1 1 20 20 HIS HD1 H . . . 1 1 21 21 ILE MG H . . . . . 3.5 1.6 3.8 . . . . . A . 20 HIS HD1 . . A . 21 ILE MG . . . 20 . HD# . . . . . 21 . HG2# . . c30244_5us3 1 92 1 OR . 1 1 21 21 ILE MG H . . . 1 1 24 24 HIS HB2 H . . . . . 3.5 1.6 3.8 . . . . . A . 21 ILE MG . . A . 24 HIS HB2 . . . 21 . HG2# . . . . . 24 . HB# . . c30244_5us3 1 92 2 OR . 1 1 21 21 ILE MG H . . . 1 1 24 24 HIS HB3 H . . . . . 3.5 1.6 3.8 . . . . . A . 21 ILE MG . . A . 24 HIS HB3 . . . 21 . HG2# . . . . . 24 . HB# . . c30244_5us3 1 93 1 . . 1 1 24 24 HIS H H . . . 1 1 23 23 THR HA H . . . . . 3.5 1.6 3.8 . . . . . A . 24 HIS H . . A . 23 THR HA . . . 24 . HN . . . . . 23 . HA . . c30244_5us3 1 94 1 . . 1 1 24 24 HIS H H . . . 1 1 23 23 THR HB H . . . . . 3.5 1.6 3.8 . . . . . A . 24 HIS H . . A . 23 THR HB . . . 24 . HN . . . . . 23 . HB . . c30244_5us3 1 95 1 . . 1 1 20 20 HIS HA H . . . 1 1 23 23 THR MG H . . . . . 3.5 1.6 3.8 . . . . . A . 20 HIS HA . . A . 23 THR MG . . . 20 . HA . . . . . 23 . HG2# . . c30244_5us3 1 96 1 . . 1 1 24 24 HIS H H . . . 1 1 23 23 THR MG H . . . . . 3.5 1.6 3.8 . . . . . A . 24 HIS H . . A . 23 THR MG . . . 24 . HN . . . . . 23 . HG2# . . c30244_5us3 1 97 1 . . 1 1 23 23 THR H H . . . 1 1 24 24 HIS H H . . . . . 3.5 1.6 3.8 . . . . . A . 23 THR H . . A . 24 HIS H . . . 23 . HN . . . . . 24 . HN . . c30244_5us3 1 98 1 OR . 1 1 23 23 THR H H . . . 1 1 24 24 HIS HB2 H . . . . . 3.5 1.6 3.8 . . . . . A . 23 THR H . . A . 24 HIS HB2 . . . 23 . HN . . . . . 24 . HB# . . c30244_5us3 1 98 2 OR . 1 1 23 23 THR H H . . . 1 1 24 24 HIS HB3 H . . . . . 3.5 1.6 3.8 . . . . . A . 23 THR H . . A . 24 HIS HB3 . . . 23 . HN . . . . . 24 . HB# . . c30244_5us3 1 99 1 OR . 1 1 20 20 HIS HD1 H . . . 1 1 24 24 HIS HD2 H . . . . . 3.5 1.6 3.8 . . . . . A . 20 HIS HD1 . . A . 24 HIS HD2 . . . 20 . HD# . . . . . 24 . HD# . . c30244_5us3 1 99 2 OR . 1 1 20 20 HIS HD2 H . . . 1 1 24 24 HIS HD2 H . . . . . 3.5 1.6 3.8 . . . . . A . 20 HIS HD2 . . A . 24 HIS HD2 . . . 20 . HD# . . . . . 24 . HD# . . c30244_5us3 1 99 3 OR . 1 1 24 24 HIS HD1 H . . . 1 1 20 20 HIS HD2 H . . . . . 3.5 1.6 3.8 . . . . . A . 24 HIS HD1 . . A . 20 HIS HD2 . . . 24 . HD# . . . . . 20 . HD# . . c30244_5us3 1 99 4 OR . 1 1 20 20 HIS HD1 H . . . 1 1 24 24 HIS HD1 H . . . . . 3.5 1.6 3.8 . . . . . A . 20 HIS HD1 . . A . 24 HIS HD1 . . . 20 . HD# . . . . . 24 . HD# . . c30244_5us3 1 100 1 OR . 1 1 21 21 ILE HB H . . . 1 1 24 24 HIS HD2 H . . . . . 3.5 1.6 3.8 . . . . . A . 21 ILE HB . . A . 24 HIS HD2 . . . 21 . HB . . . . . 24 . HD# . . c30244_5us3 1 100 2 OR . 1 1 24 24 HIS HD1 H . . . 1 1 21 21 ILE HB H . . . . . 3.5 1.6 3.8 . . . . . A . 24 HIS HD1 . . A . 21 ILE HB . . . 24 . HD# . . . . . 21 . HB . . c30244_5us3 1 101 1 OR . 1 1 21 21 ILE MG H . . . 1 1 24 24 HIS HD2 H . . . . . 3.5 1.6 3.8 . . . . . A . 21 ILE MG . . A . 24 HIS HD2 . . . 21 . HG2# . . . . . 24 . HD# . . c30244_5us3 1 101 2 OR . 1 1 21 21 ILE MG H . . . 1 1 24 24 HIS HD1 H . . . . . 3.5 1.6 3.8 . . . . . A . 21 ILE MG . . A . 24 HIS HD1 . . . 21 . HG2# . . . . . 24 . HD# . . c30244_5us3 1 102 1 OR . 1 1 21 21 ILE H H . . . 1 1 24 24 HIS HD2 H . . . . . 3.5 1.6 3.8 . . . . . A . 21 ILE H . . A . 24 HIS HD2 . . . 21 . HN . . . . . 24 . HD# . . c30244_5us3 1 102 2 OR . 1 1 24 24 HIS HD1 H . . . 1 1 21 21 ILE H H . . . . . 3.5 1.6 3.8 . . . . . A . 24 HIS HD1 . . A . 21 ILE H . . . 24 . HD# . . . . . 21 . HN . . c30244_5us3 1 103 1 . . 1 1 27 27 LYS HA H . . . 1 1 28 28 LYS H H . . . . . 3.5 1.6 3.8 . . . . . A . 27 LYS HA . . A . 28 LYS H . . . 27 . HA . . . . . 28 . HN . . c30244_5us3 1 104 1 . . 1 1 9 9 LYS HA H . . . 1 1 11 11 PHE HZ H . . . . . 4.5 1.6 4.8 . . . . . A . 9 LYS HA . . A . 11 PHE HZ . . . 9 . HA . . . . . 11 . HZ . . c30244_5us3 1 105 1 . . 1 1 4 4 CYS HA H . . . 1 1 7 7 CYS H H . . . . . 4.5 1.6 4.8 . . . . . A . 4 CYS HA . . A . 7 CYS H . . . 4 . HA . . . . . 7 . HN . . c30244_5us3 1 106 1 OR . 1 1 4 4 CYS HA H . . . 1 1 24 24 HIS HD2 H . . . . . 4.5 1.6 4.8 . . . . . A . 4 CYS HA . . A . 24 HIS HD2 . . . 4 . HA . . . . . 24 . HD# . . c30244_5us3 1 106 2 OR . 1 1 4 4 CYS HA H . . . 1 1 24 24 HIS HD1 H . . . . . 4.5 1.6 4.8 . . . . . A . 4 CYS HA . . A . 24 HIS HD1 . . . 4 . HA . . . . . 24 . HD# . . c30244_5us3 1 107 1 OR . 1 1 6 6 GLU H H . . . 1 1 4 4 CYS HB2 H . . . . . 4.5 1.6 4.8 . . . . . A . 6 GLU H . . A . 4 CYS HB2 . . . 6 . HN . . . . . 4 . HB# . . c30244_5us3 1 107 2 OR . 1 1 6 6 GLU H H . . . 1 1 4 4 CYS HB3 H . . . . . 4.5 1.6 4.8 . . . . . A . 6 GLU H . . A . 4 CYS HB3 . . . 6 . HN . . . . . 4 . HB# . . c30244_5us3 1 108 1 OR . 1 1 9 9 LYS HA H . . . 1 1 4 4 CYS HB2 H . . . . . 4.5 1.6 4.8 . . . . . A . 9 LYS HA . . A . 4 CYS HB2 . . . 9 . HA . . . . . 4 . HB# . . c30244_5us3 1 108 2 OR . 1 1 9 9 LYS HA H . . . 1 1 4 4 CYS HB3 H . . . . . 4.5 1.6 4.8 . . . . . A . 9 LYS HA . . A . 4 CYS HB3 . . . 9 . HA . . . . . 4 . HB# . . c30244_5us3 1 109 1 OR . 1 1 11 11 PHE QD H . . . 1 1 4 4 CYS HB2 H . . . . . 4.5 1.6 4.8 . . . . . A . 11 PHE QD . . A . 4 CYS HB2 . . . 11 . HD# . . . . . 4 . HB# . . c30244_5us3 1 109 2 OR . 1 1 4 4 CYS HB3 H . . . 1 1 11 11 PHE QD H . . . . . 4.5 1.6 4.8 . . . . . A . 4 CYS HB3 . . A . 11 PHE QD . . . 4 . HB# . . . . . 11 . HD# . . c30244_5us3 1 110 1 . . 1 1 7 7 CYS H H . . . 1 1 5 5 PRO HA H . . . . . 4.5 1.6 4.8 . . . . . A . 7 CYS H . . A . 5 PRO HA . . . 7 . HN . . . . . 5 . HA . . c30244_5us3 1 111 1 OR . 1 1 6 6 GLU H H . . . 1 1 5 5 PRO HB2 H . . . . . 4.5 1.6 4.8 . . . . . A . 6 GLU H . . A . 5 PRO HB2 . . . 6 . HN . . . . . 5 . HB# . . c30244_5us3 1 111 2 OR . 1 1 6 6 GLU H H . . . 1 1 5 5 PRO HB3 H . . . . . 4.5 1.6 4.8 . . . . . A . 6 GLU H . . A . 5 PRO HB3 . . . 6 . HN . . . . . 5 . HB# . . c30244_5us3 1 112 1 OR . 1 1 7 7 CYS H H . . . 1 1 5 5 PRO HD2 H . . . . . 4.5 1.6 4.8 . . . . . A . 7 CYS H . . A . 5 PRO HD2 . . . 7 . HN . . . . . 5 . HD# . . c30244_5us3 1 112 2 OR . 1 1 5 5 PRO HD3 H . . . 1 1 7 7 CYS H H . . . . . 4.5 1.6 4.8 . . . . . A . 5 PRO HD3 . . A . 7 CYS H . . . 5 . HD# . . . . . 7 . HN . . c30244_5us3 1 113 1 OR . 1 1 20 20 HIS HD1 H . . . 1 1 5 5 PRO HD2 H . . . . . 4.5 1.6 4.8 . . . . . A . 20 HIS HD1 . . A . 5 PRO HD2 . . . 20 . HD# . . . . . 5 . HD# . . c30244_5us3 1 113 2 OR . 1 1 20 20 HIS HD2 H . . . 1 1 5 5 PRO HD2 H . . . . . 4.5 1.6 4.8 . . . . . A . 20 HIS HD2 . . A . 5 PRO HD2 . . . 20 . HD# . . . . . 5 . HD# . . c30244_5us3 1 113 3 OR . 1 1 5 5 PRO HD3 H . . . 1 1 20 20 HIS HD2 H . . . . . 4.5 1.6 4.8 . . . . . A . 5 PRO HD3 . . A . 20 HIS HD2 . . . 5 . HD# . . . . . 20 . HD# . . c30244_5us3 1 113 4 OR . 1 1 5 5 PRO HD3 H . . . 1 1 20 20 HIS HD1 H . . . . . 4.5 1.6 4.8 . . . . . A . 5 PRO HD3 . . A . 20 HIS HD1 . . . 5 . HD# . . . . . 20 . HD# . . c30244_5us3 1 114 1 OR . 1 1 24 24 HIS HD1 H . . . 1 1 5 5 PRO HD2 H . . . . . 4.5 1.6 4.8 . . . . . A . 24 HIS HD1 . . A . 5 PRO HD2 . . . 24 . HD# . . . . . 5 . HD# . . c30244_5us3 1 114 2 OR . 1 1 24 24 HIS HD2 H . . . 1 1 5 5 PRO HD2 H . . . . . 4.5 1.6 4.8 . . . . . A . 24 HIS HD2 . . A . 5 PRO HD2 . . . 24 . HD# . . . . . 5 . HD# . . c30244_5us3 1 114 3 OR . 1 1 5 5 PRO HD3 H . . . 1 1 24 24 HIS HD2 H . . . . . 4.5 1.6 4.8 . . . . . A . 5 PRO HD3 . . A . 24 HIS HD2 . . . 5 . HD# . . . . . 24 . HD# . . c30244_5us3 1 114 4 OR . 1 1 5 5 PRO HD3 H . . . 1 1 24 24 HIS HD1 H . . . . . 4.5 1.6 4.8 . . . . . A . 5 PRO HD3 . . A . 24 HIS HD1 . . . 5 . HD# . . . . . 24 . HD# . . c30244_5us3 1 115 1 OR . 1 1 6 6 GLU HA H . . . 1 1 24 24 HIS HD2 H . . . . . 4.5 1.6 4.8 . . . . . A . 6 GLU HA . . A . 24 HIS HD2 . . . 6 . HA . . . . . 24 . HD# . . c30244_5us3 1 115 2 OR . 1 1 6 6 GLU HA H . . . 1 1 24 24 HIS HD1 H . . . . . 4.5 1.6 4.8 . . . . . A . 6 GLU HA . . A . 24 HIS HD1 . . . 6 . HA . . . . . 24 . HD# . . c30244_5us3 1 116 1 OR . 1 1 7 7 CYS H H . . . 1 1 6 6 GLU HG2 H . . . . . 4.5 1.6 4.8 . . . . . A . 7 CYS H . . A . 6 GLU HG2 . . . 7 . HN . . . . . 6 . HG# . . c30244_5us3 1 116 2 OR . 1 1 7 7 CYS H H . . . 1 1 6 6 GLU HG3 H . . . . . 4.5 1.6 4.8 . . . . . A . 7 CYS H . . A . 6 GLU HG3 . . . 7 . HN . . . . . 6 . HG# . . c30244_5us3 1 117 1 OR . 1 1 7 7 CYS HA H . . . 1 1 8 8 PRO HB2 H . . . . . 4.5 1.6 4.8 . . . . . A . 7 CYS HA . . A . 8 PRO HB2 . . . 7 . HA . . . . . 8 . HB# . . c30244_5us3 1 117 2 OR . 1 1 7 7 CYS HA H . . . 1 1 8 8 PRO HB3 H . . . . . 4.5 1.6 4.8 . . . . . A . 7 CYS HA . . A . 8 PRO HB3 . . . 7 . HA . . . . . 8 . HB# . . c30244_5us3 1 118 1 OR . 1 1 4 4 CYS HB2 H . . . 1 1 7 7 CYS HB2 H . . . . . 4.5 1.6 4.8 . . . . . A . 4 CYS HB2 . . A . 7 CYS HB2 . . . 4 . HB# . . . . . 7 . HB# . . c30244_5us3 1 118 2 OR . 1 1 4 4 CYS HB3 H . . . 1 1 7 7 CYS HB2 H . . . . . 4.5 1.6 4.8 . . . . . A . 4 CYS HB3 . . A . 7 CYS HB2 . . . 4 . HB# . . . . . 7 . HB# . . c30244_5us3 1 118 3 OR . 1 1 7 7 CYS HB3 H . . . 1 1 4 4 CYS HB2 H . . . . . 4.5 1.6 4.8 . . . . . A . 7 CYS HB3 . . A . 4 CYS HB2 . . . 7 . HB# . . . . . 4 . HB# . . c30244_5us3 1 118 4 OR . 1 1 7 7 CYS HB3 H . . . 1 1 4 4 CYS HB3 H . . . . . 4.5 1.6 4.8 . . . . . A . 7 CYS HB3 . . A . 4 CYS HB3 . . . 7 . HB# . . . . . 4 . HB# . . c30244_5us3 1 119 1 OR . 1 1 6 6 GLU H H . . . 1 1 7 7 CYS HB2 H . . . . . 4.5 1.6 4.8 . . . . . A . 6 GLU H . . A . 7 CYS HB2 . . . 6 . HN . . . . . 7 . HB# . . c30244_5us3 1 119 2 OR . 1 1 7 7 CYS HB3 H . . . 1 1 6 6 GLU H H . . . . . 4.5 1.6 4.8 . . . . . A . 7 CYS HB3 . . A . 6 GLU H . . . 7 . HB# . . . . . 6 . HN . . c30244_5us3 1 120 1 . . 1 1 10 10 MMO HA H . . . 1 1 9 9 LYS HA H . . . . . 4.5 1.6 4.8 . . . . . A . 10 MMO HA . . A . 9 LYS HA . . . 10 . HA . . . . . 9 . HA . . c30244_5us3 1 121 1 . . 1 1 9 9 LYS HA H . . . 1 1 11 11 PHE QE H . . . . . 4.5 1.6 4.8 . . . . . A . 9 LYS HA . . A . 11 PHE QE . . . 9 . HA . . . . . 11 . HE# . . c30244_5us3 1 122 1 OR . 1 1 20 20 HIS HD1 H . . . 1 1 9 9 LYS HG2 H . . . . . 4.5 1.6 4.8 . . . . . A . 20 HIS HD1 . . A . 9 LYS HG2 . . . 20 . HD# . . . . . 9 . HG# . . c30244_5us3 1 122 2 OR . 1 1 20 20 HIS HD2 H . . . 1 1 9 9 LYS HG2 H . . . . . 4.5 1.6 4.8 . . . . . A . 20 HIS HD2 . . A . 9 LYS HG2 . . . 20 . HD# . . . . . 9 . HG# . . c30244_5us3 1 122 3 OR . 1 1 9 9 LYS HG3 H . . . 1 1 20 20 HIS HD2 H . . . . . 4.5 1.6 4.8 . . . . . A . 9 LYS HG3 . . A . 20 HIS HD2 . . . 9 . HG# . . . . . 20 . HD# . . c30244_5us3 1 122 4 OR . 1 1 20 20 HIS HD1 H . . . 1 1 9 9 LYS HG3 H . . . . . 4.5 1.6 4.8 . . . . . A . 20 HIS HD1 . . A . 9 LYS HG3 . . . 20 . HD# . . . . . 9 . HG# . . c30244_5us3 1 123 1 . . 1 1 10 10 MMO HA H . . . 1 1 9 9 LYS H H . . . . . 4.5 1.6 4.8 . . . . . A . 10 MMO HA . . A . 9 LYS H . . . 10 . HA . . . . . 9 . HN . . c30244_5us3 1 124 1 . . 1 1 10 10 MMO HA H . . . 1 1 11 11 PHE HA H . . . . . 4.5 1.6 4.8 . . . . . A . 10 MMO HA . . A . 11 PHE HA . . . 10 . HA . . . . . 11 . HA . . c30244_5us3 1 125 1 . . 1 1 11 11 PHE QE H . . . 1 1 13 13 ARG H H . . . . . 4.5 1.6 4.8 . . . . . A . 11 PHE QE . . A . 13 ARG H . . . 11 . HE# . . . . . 13 . HN . . c30244_5us3 1 126 1 OR . 1 1 11 11 PHE QE H . . . 1 1 20 20 HIS HB2 H . . . . . 4.5 1.6 4.8 . . . . . A . 11 PHE QE . . A . 20 HIS HB2 . . . 11 . HE# . . . . . 20 . HB# . . c30244_5us3 1 126 2 OR . 1 1 11 11 PHE QE H . . . 1 1 20 20 HIS HB3 H . . . . . 4.5 1.6 4.8 . . . . . A . 11 PHE QE . . A . 20 HIS HB3 . . . 11 . HE# . . . . . 20 . HB# . . c30244_5us3 1 127 1 . . 1 1 9 9 LYS H H . . . 1 1 11 11 PHE HZ H . . . . . 4.5 1.6 4.8 . . . . . A . 9 LYS H . . A . 11 PHE HZ . . . 9 . HN . . . . . 11 . HZ . . c30244_5us3 1 128 1 . . 1 1 13 13 ARG HA H . . . 1 1 2 2 TYR QE H . . . . . 4.5 1.6 4.8 . . . . . A . 13 ARG HA . . A . 2 TYR QE . . . 13 . HA . . . . . 2 . HE# . . c30244_5us3 1 129 1 OR . 1 1 14 14 SER H H . . . 1 1 13 13 ARG HD2 H . . . . . 4.5 1.6 4.8 . . . . . A . 14 SER H . . A . 13 ARG HD2 . . . 14 . HN . . . . . 13 . HD# . . c30244_5us3 1 129 2 OR . 1 1 13 13 ARG HD3 H . . . 1 1 14 14 SER H H . . . . . 4.5 1.6 4.8 . . . . . A . 13 ARG HD3 . . A . 14 SER H . . . 13 . HD# . . . . . 14 . HN . . c30244_5us3 1 130 1 . . 1 1 11 11 PHE QD H . . . 1 1 14 14 SER HA H . . . . . 4.5 1.6 4.8 . . . . . A . 11 PHE QD . . A . 14 SER HA . . . 11 . HD# . . . . . 14 . HA . . c30244_5us3 1 131 1 . . 1 1 14 14 SER HA H . . . 1 1 18 18 SER H H . . . . . 4.5 1.6 4.8 . . . . . A . 14 SER HA . . A . 18 SER H . . . 14 . HA . . . . . 18 . HN . . c30244_5us3 1 132 1 . . 1 1 17 17 LEU H H . . . 1 1 15 15 B3D HB H . . . . . 4.5 1.6 4.8 . . . . . A . 17 LEU H . . A . 15 B3D HB . . . 17 . HN . . . . . 15 . HB . . c30244_5us3 1 133 1 . . 1 1 11 11 PHE HZ H . . . 1 1 17 17 LEU HA H . . . . . 4.5 1.6 4.8 . . . . . A . 11 PHE HZ . . A . 17 LEU HA . . . 11 . HZ . . . . . 17 . HA . . c30244_5us3 1 134 1 . . 1 1 18 18 SER H H . . . 1 1 17 17 LEU HA H . . . . . 4.5 1.6 4.8 . . . . . A . 18 SER H . . A . 17 LEU HA . . . 18 . HN . . . . . 17 . HA . . c30244_5us3 1 135 1 OR . 1 1 11 11 PHE QD H . . . 1 1 17 17 LEU HB2 H . . . . . 4.5 1.6 4.8 . . . . . A . 11 PHE QD . . A . 17 LEU HB2 . . . 11 . HD# . . . . . 17 . HB# . . c30244_5us3 1 135 2 OR . 1 1 11 11 PHE QD H . . . 1 1 17 17 LEU HB3 H . . . . . 4.5 1.6 4.8 . . . . . A . 11 PHE QD . . A . 17 LEU HB3 . . . 11 . HD# . . . . . 17 . HB# . . c30244_5us3 1 136 1 OR . 1 1 11 11 PHE H H . . . 1 1 17 17 LEU MD1 H . . . . . 4.5 1.6 4.8 . . . . . A . 11 PHE H . . A . 17 LEU MD1 . . . 11 . HN . . . . . 17 . HD## . . c30244_5us3 1 136 2 OR . 1 1 17 17 LEU MD2 H . . . 1 1 11 11 PHE H H . . . . . 4.5 1.6 4.8 . . . . . A . 17 LEU MD2 . . A . 11 PHE H . . . 17 . HD## . . . . . 11 . HN . . c30244_5us3 1 137 1 OR . 1 1 11 11 PHE HZ H . . . 1 1 17 17 LEU MD1 H . . . . . 4.5 1.6 4.8 . . . . . A . 11 PHE HZ . . A . 17 LEU MD1 . . . 11 . HZ . . . . . 17 . HD## . . c30244_5us3 1 137 2 OR . 1 1 17 17 LEU MD2 H . . . 1 1 11 11 PHE HZ H . . . . . 4.5 1.6 4.8 . . . . . A . 17 LEU MD2 . . A . 11 PHE HZ . . . 17 . HD## . . . . . 11 . HZ . . c30244_5us3 1 138 1 OR . 1 1 18 18 SER HA H . . . 1 1 17 17 LEU MD1 H . . . . . 4.5 1.6 4.8 . . . . . A . 18 SER HA . . A . 17 LEU MD1 . . . 18 . HA . . . . . 17 . HD## . . c30244_5us3 1 138 2 OR . 1 1 17 17 LEU MD2 H . . . 1 1 18 18 SER HA H . . . . . 4.5 1.6 4.8 . . . . . A . 17 LEU MD2 . . A . 18 SER HA . . . 17 . HD## . . . . . 18 . HA . . c30244_5us3 1 139 1 OR . 1 1 20 20 HIS HD1 H . . . 1 1 17 17 LEU MD1 H . . . . . 4.5 1.6 4.8 . . . . . A . 20 HIS HD1 . . A . 17 LEU MD1 . . . 20 . HD# . . . . . 17 . HD## . . c30244_5us3 1 139 2 OR . 1 1 17 17 LEU MD2 H . . . 1 1 20 20 HIS HD2 H . . . . . 4.5 1.6 4.8 . . . . . A . 17 LEU MD2 . . A . 20 HIS HD2 . . . 17 . HD## . . . . . 20 . HD# . . c30244_5us3 1 139 3 OR . 1 1 17 17 LEU MD2 H . . . 1 1 20 20 HIS HD1 H . . . . . 4.5 1.6 4.8 . . . . . A . 17 LEU MD2 . . A . 20 HIS HD1 . . . 17 . HD## . . . . . 20 . HD# . . c30244_5us3 1 139 4 OR . 1 1 20 20 HIS HD2 H . . . 1 1 17 17 LEU MD1 H . . . . . 4.5 1.6 4.8 . . . . . A . 20 HIS HD2 . . A . 17 LEU MD1 . . . 20 . HD# . . . . . 17 . HD## . . c30244_5us3 1 140 1 OR . 1 1 20 20 HIS H H . . . 1 1 17 17 LEU MD1 H . . . . . 4.5 1.6 4.8 . . . . . A . 20 HIS H . . A . 17 LEU MD1 . . . 20 . HN . . . . . 17 . HD## . . c30244_5us3 1 140 2 OR . 1 1 17 17 LEU MD2 H . . . 1 1 20 20 HIS H H . . . . . 4.5 1.6 4.8 . . . . . A . 17 LEU MD2 . . A . 20 HIS H . . . 17 . HD## . . . . . 20 . HN . . c30244_5us3 1 141 1 . . 1 1 17 17 LEU HG H . . . 1 1 18 18 SER H H . . . . . 4.5 1.6 4.8 . . . . . A . 17 LEU HG . . A . 18 SER H . . . 17 . HG . . . . . 18 . HN . . c30244_5us3 1 142 1 . . 1 1 17 17 LEU H H . . . 1 1 20 20 HIS H H . . . . . 4.5 1.6 4.8 . . . . . A . 17 LEU H . . A . 20 HIS H . . . 17 . HN . . . . . 20 . HN . . c30244_5us3 1 143 1 . . 1 1 19 19 B3K HB H . . . 1 1 21 21 ILE H H . . . . . 4.5 1.6 4.8 . . . . . A . 19 B3K HB . . A . 21 ILE H . . . 19 . HB . . . . . 21 . HN . . c30244_5us3 1 144 1 . . 1 1 11 11 PHE QE H . . . 1 1 20 20 HIS HA H . . . . . 4.5 1.6 4.8 . . . . . A . 11 PHE QE . . A . 20 HIS HA . . . 11 . HE# . . . . . 20 . HA . . c30244_5us3 1 145 1 . . 1 1 11 11 PHE HZ H . . . 1 1 20 20 HIS HA H . . . . . 4.5 1.6 4.8 . . . . . A . 11 PHE HZ . . A . 20 HIS HA . . . 11 . HZ . . . . . 20 . HA . . c30244_5us3 1 146 1 OR . 1 1 17 17 LEU H H . . . 1 1 20 20 HIS HB2 H . . . . . 4.5 1.6 4.8 . . . . . A . 17 LEU H . . A . 20 HIS HB2 . . . 17 . HN . . . . . 20 . HB# . . c30244_5us3 1 146 2 OR . 1 1 17 17 LEU H H . . . 1 1 20 20 HIS HB3 H . . . . . 4.5 1.6 4.8 . . . . . A . 17 LEU H . . A . 20 HIS HB3 . . . 17 . HN . . . . . 20 . HB# . . c30244_5us3 1 147 1 . . 1 1 23 23 THR H H . . . 1 1 21 21 ILE HB H . . . . . 4.5 1.6 4.8 . . . . . A . 23 THR H . . A . 21 ILE HB . . . 23 . HN . . . . . 21 . HB . . c30244_5us3 1 148 1 . . 1 1 6 6 GLU H H . . . 1 1 21 21 ILE MG H . . . . . 4.5 1.6 4.8 . . . . . A . 6 GLU H . . A . 21 ILE MG . . . 6 . HN . . . . . 21 . HG2# . . c30244_5us3 1 149 1 . . 1 1 21 21 ILE MG H . . . 1 1 11 11 PHE QE H . . . . . 4.5 1.6 4.8 . . . . . A . 21 ILE MG . . A . 11 PHE QE . . . 21 . HG2# . . . . . 11 . HE# . . c30244_5us3 1 150 1 . . 1 1 21 21 ILE MG H . . . 1 1 17 17 LEU HA H . . . . . 4.5 1.6 4.8 . . . . . A . 21 ILE MG . . A . 17 LEU HA . . . 21 . HG2# . . . . . 17 . HA . . c30244_5us3 1 151 1 . . 1 1 21 21 ILE MG H . . . 1 1 18 18 SER H H . . . . . 4.5 1.6 4.8 . . . . . A . 21 ILE MG . . A . 18 SER H . . . 21 . HG2# . . . . . 18 . HN . . c30244_5us3 1 152 1 OR . 1 1 21 21 ILE MG H . . . 1 1 20 20 HIS HB2 H . . . . . 4.5 1.6 4.8 . . . . . A . 21 ILE MG . . A . 20 HIS HB2 . . . 21 . HG2# . . . . . 20 . HB# . . c30244_5us3 1 152 2 OR . 1 1 21 21 ILE MG H . . . 1 1 20 20 HIS HB3 H . . . . . 4.5 1.6 4.8 . . . . . A . 21 ILE MG . . A . 20 HIS HB3 . . . 21 . HG2# . . . . . 20 . HB# . . c30244_5us3 1 153 1 . . 1 1 21 21 ILE MG H . . . 1 1 20 20 HIS H H . . . . . 4.5 1.6 4.8 . . . . . A . 21 ILE MG . . A . 20 HIS H . . . 21 . HG2# . . . . . 20 . HN . . c30244_5us3 1 154 1 . . 1 1 21 21 ILE MG H . . . 1 1 24 24 HIS H H . . . . . 4.5 1.6 4.8 . . . . . A . 21 ILE MG . . A . 24 HIS H . . . 21 . HG2# . . . . . 24 . HN . . c30244_5us3 1 155 1 . . 1 1 23 23 THR H H . . . 1 1 21 21 ILE H H . . . . . 4.5 1.6 4.8 . . . . . A . 23 THR H . . A . 21 ILE H . . . 23 . HN . . . . . 21 . HN . . c30244_5us3 1 156 1 . . 1 1 20 20 HIS HA H . . . 1 1 23 23 THR HB H . . . . . 4.5 1.6 4.8 . . . . . A . 20 HIS HA . . A . 23 THR HB . . . 20 . HA . . . . . 23 . HB . . c30244_5us3 1 157 1 . . 1 1 23 23 THR H H . . . 1 1 21 21 ILE H H . . . . . 4.5 1.6 4.8 . . . . . A . 23 THR H . . A . 21 ILE H . . . 23 . HN . . . . . 21 . HN . . c30244_5us3 1 158 1 . . 1 1 21 21 ILE MG H . . . 1 1 24 24 HIS HA H . . . . . 4.5 1.6 4.8 . . . . . A . 21 ILE MG . . A . 24 HIS HA . . . 21 . HG2# . . . . . 24 . HA . . c30244_5us3 1 159 1 . . 1 1 23 23 THR MG H . . . 1 1 24 24 HIS HA H . . . . . 4.5 1.6 4.8 . . . . . A . 23 THR MG . . A . 24 HIS HA . . . 23 . HG2# . . . . . 24 . HA . . c30244_5us3 1 160 1 . . 1 1 23 23 THR H H . . . 1 1 24 24 HIS HA H . . . . . 4.5 1.6 4.8 . . . . . A . 23 THR H . . A . 24 HIS HA . . . 23 . HN . . . . . 24 . HA . . c30244_5us3 1 161 1 OR . 1 1 24 24 HIS HD2 H . . . 1 1 6 6 GLU HG2 H . . . . . 4.5 1.6 4.8 . . . . . A . 24 HIS HD2 . . A . 6 GLU HG2 . . . 24 . HD# . . . . . 6 . HG# . . c30244_5us3 1 161 2 OR . 1 1 24 24 HIS HD1 H . . . 1 1 6 6 GLU HG2 H . . . . . 4.5 1.6 4.8 . . . . . A . 24 HIS HD1 . . A . 6 GLU HG2 . . . 24 . HD# . . . . . 6 . HG# . . c30244_5us3 1 161 3 OR . 1 1 6 6 GLU HG3 H . . . 1 1 24 24 HIS HD2 H . . . . . 4.5 1.6 4.8 . . . . . A . 6 GLU HG3 . . A . 24 HIS HD2 . . . 6 . HG# . . . . . 24 . HD# . . c30244_5us3 1 161 4 OR . 1 1 24 24 HIS HD1 H . . . 1 1 6 6 GLU HG3 H . . . . . 4.5 1.6 4.8 . . . . . A . 24 HIS HD1 . . A . 6 GLU HG3 . . . 24 . HD# . . . . . 6 . HG# . . c30244_5us3 1 162 1 OR . 1 1 24 24 HIS HD2 H . . . 1 1 6 6 GLU HG2 H . . . . . 4.5 1.6 4.8 . . . . . A . 24 HIS HD2 . . A . 6 GLU HG2 . . . 24 . HD# . . . . . 6 . HG# . . c30244_5us3 1 162 2 OR . 1 1 24 24 HIS HD1 H . . . 1 1 6 6 GLU HG2 H . . . . . 4.5 1.6 4.8 . . . . . A . 24 HIS HD1 . . A . 6 GLU HG2 . . . 24 . HD# . . . . . 6 . HG# . . c30244_5us3 1 162 3 OR . 1 1 6 6 GLU HG3 H . . . 1 1 24 24 HIS HD2 H . . . . . 4.5 1.6 4.8 . . . . . A . 6 GLU HG3 . . A . 24 HIS HD2 . . . 6 . HG# . . . . . 24 . HD# . . c30244_5us3 1 162 4 OR . 1 1 24 24 HIS HD1 H . . . 1 1 6 6 GLU HG3 H . . . . . 4.5 1.6 4.8 . . . . . A . 24 HIS HD1 . . A . 6 GLU HG3 . . . 24 . HD# . . . . . 6 . HG# . . c30244_5us3 1 163 1 OR . 1 1 6 6 GLU H H . . . 1 1 24 24 HIS HD2 H . . . . . 4.5 1.6 4.8 . . . . . A . 6 GLU H . . A . 24 HIS HD2 . . . 6 . HN . . . . . 24 . HD# . . c30244_5us3 1 163 2 OR . 1 1 6 6 GLU H H . . . 1 1 24 24 HIS HD1 H . . . . . 4.5 1.6 4.8 . . . . . A . 6 GLU H . . A . 24 HIS HD1 . . . 6 . HN . . . . . 24 . HD# . . c30244_5us3 1 164 1 OR . 1 1 24 24 HIS HD1 H . . . 1 1 17 17 LEU MD1 H . . . . . 4.5 1.6 4.8 . . . . . A . 24 HIS HD1 . . A . 17 LEU MD1 . . . 24 . HD# . . . . . 17 . HD## . . c30244_5us3 1 164 2 OR . 1 1 24 24 HIS HD2 H . . . 1 1 17 17 LEU MD1 H . . . . . 4.5 1.6 4.8 . . . . . A . 24 HIS HD2 . . A . 17 LEU MD1 . . . 24 . HD# . . . . . 17 . HD## . . c30244_5us3 1 164 3 OR . 1 1 17 17 LEU MD2 H . . . 1 1 24 24 HIS HD2 H . . . . . 4.5 1.6 4.8 . . . . . A . 17 LEU MD2 . . A . 24 HIS HD2 . . . 17 . HD## . . . . . 24 . HD# . . c30244_5us3 1 164 4 OR . 1 1 17 17 LEU MD2 H . . . 1 1 24 24 HIS HD1 H . . . . . 4.5 1.6 4.8 . . . . . A . 17 LEU MD2 . . A . 24 HIS HD1 . . . 17 . HD## . . . . . 24 . HD# . . c30244_5us3 1 165 1 OR . 1 1 23 23 THR MG H . . . 1 1 24 24 HIS HD2 H . . . . . 4.5 1.6 4.8 . . . . . A . 23 THR MG . . A . 24 HIS HD2 . . . 23 . HG2# . . . . . 24 . HD# . . c30244_5us3 1 165 2 OR . 1 1 24 24 HIS HD1 H . . . 1 1 23 23 THR MG H . . . . . 4.5 1.6 4.8 . . . . . A . 24 HIS HD1 . . A . 23 THR MG . . . 24 . HD# . . . . . 23 . HG2# . . c30244_5us3 1 166 1 OR . 1 1 23 23 THR H H . . . 1 1 24 24 HIS HD2 H . . . . . 4.5 1.6 4.8 . . . . . A . 23 THR H . . A . 24 HIS HD2 . . . 23 . HN . . . . . 24 . HD# . . c30244_5us3 1 166 2 OR . 1 1 23 23 THR H H . . . 1 1 24 24 HIS HD1 H . . . . . 4.5 1.6 4.8 . . . . . A . 23 THR H . . A . 24 HIS HD1 . . . 23 . HN . . . . . 24 . HD# . . c30244_5us3 1 167 1 OR . 1 1 11 11 PHE HZ H . . . 1 1 4 4 CYS HB2 H . . . . . 5.5 1.6 5.8 . . . . . A . 11 PHE HZ . . A . 4 CYS HB2 . . . 11 . HZ . . . . . 4 . HB# . . c30244_5us3 1 167 2 OR . 1 1 4 4 CYS HB3 H . . . 1 1 11 11 PHE HZ H . . . . . 5.5 1.6 5.8 . . . . . A . 4 CYS HB3 . . A . 11 PHE HZ . . . 4 . HB# . . . . . 11 . HZ . . c30244_5us3 1 168 1 OR . 1 1 4 4 CYS HB2 H . . . 1 1 7 7 CYS HB2 H . . . . . 5.5 1.6 5.8 . . . . . A . 4 CYS HB2 . . A . 7 CYS HB2 . . . 4 . HB# . . . . . 7 . HB# . . c30244_5us3 1 168 2 OR . 1 1 4 4 CYS HB3 H . . . 1 1 7 7 CYS HB2 H . . . . . 5.5 1.6 5.8 . . . . . A . 4 CYS HB3 . . A . 7 CYS HB2 . . . 4 . HB# . . . . . 7 . HB# . . c30244_5us3 1 168 3 OR . 1 1 7 7 CYS HB3 H . . . 1 1 4 4 CYS HB2 H . . . . . 5.5 1.6 5.8 . . . . . A . 7 CYS HB3 . . A . 4 CYS HB2 . . . 7 . HB# . . . . . 4 . HB# . . c30244_5us3 1 168 4 OR . 1 1 7 7 CYS HB3 H . . . 1 1 4 4 CYS HB3 H . . . . . 5.5 1.6 5.8 . . . . . A . 7 CYS HB3 . . A . 4 CYS HB3 . . . 7 . HB# . . . . . 4 . HB# . . c30244_5us3 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 '# Restraints file 1: NOE_restraints.txt' 1 1 1 39 c30244_5us3 1 stop_ loop_ _Gen_dist_constraint_conv_err.ID _Gen_dist_constraint_conv_err.Gen_dist_constraint_parse_file_ID _Gen_dist_constraint_conv_err.Parse_file_constraint_ID _Gen_dist_constraint_conv_err.Conv_error_type _Gen_dist_constraint_conv_err.Conv_error_note _Gen_dist_constraint_conv_err.Entry_ID _Gen_dist_constraint_conv_err.Gen_dist_constraint_list_ID 1 2 1 1 "Not handling restraint 1, item 1, resonance(s) ' .3.HA' (nmrStar names) not linked" c30244_5us3 1 2 2 2 1 "Not handling restraint 2, item 1, resonance(s) ' .3.HA' (nmrStar names) not linked" c30244_5us3 1 3 2 9 1 "Not handling restraint 9, item 1, resonance(s) ' .24.HE#' (nmrStar names) not linked" c30244_5us3 1 4 2 9 1 "Not handling restraint 9, item 1, resonance(s) ' .24.HE#' (nmrStar names) not linked" c30244_5us3 1 5 2 10 1 "Not handling restraint 10, item 1, resonance(s) ' .24.HE#' (nmrStar names) not linked" c30244_5us3 1 6 2 10 1 "Not handling restraint 10, item 1, resonance(s) ' .24.HE#' (nmrStar names) not linked" c30244_5us3 1 7 2 13 1 "Not handling restraint 13, item 1, resonance(s) ' .10.HM#' (nmrStar names) not linked" c30244_5us3 1 8 2 16 1 "Not handling restraint 16, item 1, resonance(s) ' .22.HA#' (nmrStar names) not linked" c30244_5us3 1 9 2 17 1 "Not handling restraint 17, item 1, resonance(s) ' .25.HN' (nmrStar names) not linked" c30244_5us3 1 10 2 18 1 "Not handling restraint 18, item 1, resonance(s) ' .3.HA' (nmrStar names) not linked" c30244_5us3 1 11 2 19 1 "Not handling restraint 19, item 1, resonance(s) ' .3.HB#' (nmrStar names) not linked" c30244_5us3 1 12 2 26 1 "Not handling restraint 26, item 1, resonance(s) ' .3.HA' (nmrStar names) not linked" c30244_5us3 1 13 2 26 1 "Not handling restraint 26, item 1, resonance(s) ' .3.HA' (nmrStar names) not linked" c30244_5us3 1 14 2 27 1 "Not handling restraint 27, item 1, resonance(s) ' .3.HA' (nmrStar names) not linked" c30244_5us3 1 15 2 27 1 "Not handling restraint 27, item 1, resonance(s) ' .3.HA' (nmrStar names) not linked" c30244_5us3 1 16 2 49 1 "Not handling restraint 49, item 1, resonance(s) ' .24.HE#' (nmrStar names) not linked" c30244_5us3 1 17 2 49 1 "Not handling restraint 49, item 1, resonance(s) ' .24.HE#' (nmrStar names) not linked" c30244_5us3 1 18 2 51 1 "Not handling restraint 51, item 1, resonance(s) ' .24.HE#' (nmrStar names) not linked" c30244_5us3 1 19 2 63 1 "Not handling restraint 63, item 1, resonance(s) ' .3.HA' (nmrStar names),' .10.HB#' (nmrStar names) not linked" c30244_5us3 1 20 2 64 1 "Not handling restraint 64, item 1, resonance(s) ' .3.HA' (nmrStar names),' .10.HB#' (nmrStar names) not linked" c30244_5us3 1 21 2 65 1 "Not handling restraint 65, item 1, resonance(s) ' .3.HA' (nmrStar names),' .10.HD#' (nmrStar names) not linked" c30244_5us3 1 22 2 66 1 "Not handling restraint 66, item 1, resonance(s) ' .3.HA' (nmrStar names),' .10.HG#' (nmrStar names) not linked" c30244_5us3 1 23 2 67 1 "Not handling restraint 67, item 1, resonance(s) ' .10.HG#' (nmrStar names) not linked" c30244_5us3 1 24 2 68 1 "Not handling restraint 68, item 1, resonance(s) ' .10.HM#' (nmrStar names) not linked" c30244_5us3 1 25 2 69 1 "Not handling restraint 69, item 1, resonance(s) ' .10.HM#' (nmrStar names) not linked" c30244_5us3 1 26 2 72 1 "Not handling restraint 72, item 1, resonance(s) ' .10.HM#' (nmrStar names) not linked" c30244_5us3 1 27 2 75 1 "Not handling restraint 75, item 1, resonance(s) ' .20.HE#' (nmrStar names) not linked" c30244_5us3 1 28 2 77 1 "Not handling restraint 77, item 1, resonance(s) ' .20.HE#' (nmrStar names) not linked" c30244_5us3 1 29 2 78 1 "Not handling restraint 78, item 1, resonance(s) ' .15.HN' (nmrStar names) not linked" c30244_5us3 1 30 2 78 1 "Not handling restraint 78, item 1, resonance(s) ' .15.HN' (nmrStar names) not linked" c30244_5us3 1 31 2 79 1 "Not handling restraint 79, item 1, resonance(s) ' .15.HN' (nmrStar names) not linked" c30244_5us3 1 32 2 86 1 "Not handling restraint 86, item 1, resonance(s) ' .3.HM#' (nmrStar names) not linked" c30244_5us3 1 33 2 86 1 "Not handling restraint 86, item 1, resonance(s) ' .3.HM#' (nmrStar names) not linked" c30244_5us3 1 34 2 103 1 "Not handling restraint 103, item 1, resonance(s) ' .19.HN' (nmrStar names) not linked" c30244_5us3 1 35 2 104 1 "Not handling restraint 104, item 1, resonance(s) ' .19.HN' (nmrStar names) not linked" c30244_5us3 1 36 2 121 1 "Not handling restraint 121, item 1, resonance(s) ' .25.HF2#' (nmrStar names) not linked" c30244_5us3 1 37 2 122 1 "Not handling restraint 122, item 1, resonance(s) ' .22.HN' (nmrStar names) not linked" c30244_5us3 1 38 2 124 1 "Not handling restraint 124, item 1, resonance(s) ' .25.HN' (nmrStar names) not linked" c30244_5us3 1 39 2 129 1 "Not handling restraint 129, item 1, resonance(s) ' .25.HN' (nmrStar names) not linked" c30244_5us3 1 40 2 130 1 "Not handling restraint 130, item 1, resonance(s) ' .25.HA#' (nmrStar names) not linked" c30244_5us3 1 41 2 132 1 "Not handling restraint 132, item 1, resonance(s) ' .25.HN' (nmrStar names) not linked" c30244_5us3 1 42 2 132 1 "Not handling restraint 132, item 1, resonance(s) ' .25.HN' (nmrStar names) not linked" c30244_5us3 1 43 2 137 1 "Not handling restraint 137, item 1, resonance(s) ' .25.HA#' (nmrStar names) not linked" c30244_5us3 1 44 2 140 1 "Not handling restraint 140, item 1, resonance(s) ' .3.HA' (nmrStar names) not linked" c30244_5us3 1 45 2 141 1 "Not handling restraint 141, item 1, resonance(s) ' .3.HA' (nmrStar names) not linked" c30244_5us3 1 46 2 142 1 "Not handling restraint 142, item 1, resonance(s) ' .3.HB#' (nmrStar names) not linked" c30244_5us3 1 47 2 142 1 "Not handling restraint 142, item 1, resonance(s) ' .3.HB#' (nmrStar names) not linked" c30244_5us3 1 48 2 143 1 "Not handling restraint 143, item 1, resonance(s) ' .3.HM#' (nmrStar names) not linked" c30244_5us3 1 49 2 155 1 "Not handling restraint 155, item 1, resonance(s) ' .24.HE#' (nmrStar names) not linked" c30244_5us3 1 50 2 160 1 "Not handling restraint 160, item 1, resonance(s) ' .24.HE#' (nmrStar names) not linked" c30244_5us3 1 51 2 164 1 "Not handling restraint 164, item 1, resonance(s) ' .20.HE#' (nmrStar names) not linked" c30244_5us3 1 52 2 164 1 "Not handling restraint 164, item 1, resonance(s) ' .20.HE#' (nmrStar names) not linked" c30244_5us3 1 53 2 165 1 "Not handling restraint 165, item 1, resonance(s) ' .3.HM#' (nmrStar names) not linked" c30244_5us3 1 54 2 167 1 "Not handling restraint 167, item 1, resonance(s) ' .3.HA' (nmrStar names),' .10.HM#' (nmrStar names) not linked" c30244_5us3 1 55 2 168 1 "Not handling restraint 168, item 1, resonance(s) ' .10.HM#' (nmrStar names) not linked" c30244_5us3 1 56 2 172 1 "Not handling restraint 172, item 1, resonance(s) ' .3.HM#' (nmrStar names) not linked" c30244_5us3 1 57 2 174 1 "Not handling restraint 174, item 1, resonance(s) ' .12.HB#' (nmrStar names) not linked" c30244_5us3 1 58 2 175 1 "Not handling restraint 175, item 1, resonance(s) ' .12.HD#' (nmrStar names) not linked" c30244_5us3 1 59 2 178 1 "Not handling restraint 178, item 1, resonance(s) ' .15.HN' (nmrStar names) not linked" c30244_5us3 1 60 2 178 1 "Not handling restraint 178, item 1, resonance(s) ' .15.HN' (nmrStar names) not linked" c30244_5us3 1 61 2 182 1 "Not handling restraint 182, item 1, resonance(s) ' .15.HN' (nmrStar names) not linked" c30244_5us3 1 62 2 186 1 "Not handling restraint 186, item 1, resonance(s) ' .3.HA' (nmrStar names) not linked" c30244_5us3 1 63 2 186 1 "Not handling restraint 186, item 1, resonance(s) ' .3.HA' (nmrStar names) not linked" c30244_5us3 1 64 2 192 1 "Not handling restraint 192, item 1, resonance(s) ' .24.HE#' (nmrStar names) not linked" c30244_5us3 1 65 2 192 1 "Not handling restraint 192, item 1, resonance(s) ' .24.HE#' (nmrStar names) not linked" c30244_5us3 1 66 2 194 1 "Not handling restraint 194, item 1, resonance(s) ' .15.HN' (nmrStar names) not linked" c30244_5us3 1 67 2 197 1 "Not handling restraint 197, item 1, resonance(s) ' .19.HN' (nmrStar names) not linked" c30244_5us3 1 68 2 209 1 "Not handling restraint 209, item 1, resonance(s) ' .25.HN' (nmrStar names) not linked" c30244_5us3 1 69 2 210 1 "Not handling restraint 210, item 1, resonance(s) ' .19.HN' (nmrStar names) not linked" c30244_5us3 1 70 2 212 1 "Not handling restraint 212, item 1, resonance(s) ' .22.HA#' (nmrStar names) not linked" c30244_5us3 1 71 2 213 1 "Not handling restraint 213, item 1, resonance(s) ' .22.HG#' (nmrStar names) not linked" c30244_5us3 1 72 2 215 1 "Not handling restraint 215, item 1, resonance(s) ' .20.HE#' (nmrStar names) not linked" c30244_5us3 1 73 2 216 1 "Not handling restraint 216, item 1, resonance(s) ' .25.HN' (nmrStar names) not linked" c30244_5us3 1 74 2 217 1 "Not handling restraint 217, item 1, resonance(s) ' .25.HN' (nmrStar names) not linked" c30244_5us3 1 75 2 228 1 "Not handling restraint 228, item 1, resonance(s) ' .25.HN' (nmrStar names) not linked" c30244_5us3 1 76 2 228 1 "Not handling restraint 228, item 1, resonance(s) ' .25.HN' (nmrStar names) not linked" c30244_5us3 1 77 2 229 1 "Not handling restraint 229, item 1, resonance(s) ' .25.HB' (nmrStar names) not linked" c30244_5us3 1 78 2 231 1 "Not handling restraint 231, item 1, resonance(s) ' .24.HE#' (nmrStar names) not linked" c30244_5us3 1 79 2 231 1 "Not handling restraint 231, item 1, resonance(s) ' .24.HE#' (nmrStar names) not linked" c30244_5us3 1 80 2 232 1 "Not handling restraint 232, item 1, resonance(s) ' .24.HE#' (nmrStar names) not linked" c30244_5us3 1 81 2 232 1 "Not handling restraint 232, item 1, resonance(s) ' .24.HE#' (nmrStar names) not linked" c30244_5us3 1 82 2 234 1 "Not handling restraint 234, item 1, resonance(s) ' .10.HD#' (nmrStar names) not linked" c30244_5us3 1 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_3 _Gen_dist_constraint_list.Entry_ID c30244_5us3 _Gen_dist_constraint_list.ID 2 _Gen_dist_constraint_list.Constraint_type 'hydrogen bond' _Gen_dist_constraint_list.Details 'Generated by Wattos' _Gen_dist_constraint_list.Constraint_file_ID 1 _Gen_dist_constraint_list.Block_ID 3 loop_ _Gen_dist_constraint_software.Software_ID _Gen_dist_constraint_software.Software_label _Gen_dist_constraint_software.Method_ID _Gen_dist_constraint_software.Method_label _Gen_dist_constraint_software.Entry_ID _Gen_dist_constraint_software.Gen_dist_constraint_list_ID . . . . c30244_5us3 2 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 18 18 SER H H . . . 1 1 14 14 SER O O . . . . . 1.9 1.8 2.0 . . . . . A . 18 SER H . . A . 14 SER O . . . 18 . HN . . . . . 14 . O . . c30244_5us3 2 2 1 . . 1 1 14 14 SER O O . . . 1 1 18 18 SER N N . . . . . 2.9 2.7 3.1 . . . . . A . 14 SER O . . A . 18 SER N . . . 14 . O . . . . . 18 . N . . c30244_5us3 2 3 1 . . 1 1 15 15 B3D O O . . . 1 1 19 19 B3K N N . . . . . 2.9 2.7 3.1 . . . . . A . 15 B3D O . . A . 19 B3K N . . . 15 . O . . . . . 19 . N . . c30244_5us3 2 4 1 . . 1 1 20 20 HIS H H . . . 1 1 16 16 HIS O O . . . . . 1.9 1.8 2.0 . . . . . A . 20 HIS H . . A . 16 HIS O . . . 20 . HN . . . . . 16 . O . . c30244_5us3 2 5 1 . . 1 1 16 16 HIS O O . . . 1 1 20 20 HIS N N . . . . . 2.9 2.7 3.1 . . . . . A . 16 HIS O . . A . 20 HIS N . . . 16 . O . . . . . 20 . N . . c30244_5us3 2 6 1 . . 1 1 21 21 ILE H H . . . 1 1 17 17 LEU O O . . . . . 1.9 1.8 2.0 . . . . . A . 21 ILE H . . A . 17 LEU O . . . 21 . HN . . . . . 17 . O . . c30244_5us3 2 7 1 . . 1 1 17 17 LEU O O . . . 1 1 21 21 ILE N N . . . . . 2.9 2.7 3.1 . . . . . A . 17 LEU O . . A . 21 ILE N . . . 17 . O . . . . . 21 . N . . c30244_5us3 2 8 1 . . 1 1 18 18 SER O O . . . 1 1 22 22 B3K N N . . . . . 2.9 2.7 3.1 . . . . . A . 18 SER O . . A . 22 B3K N . . . 18 . O . . . . . 22 . N . . c30244_5us3 2 9 1 . . 1 1 23 23 THR H H . . . 1 1 19 19 B3K O O . . . . . 1.9 1.8 2.0 . . . . . A . 23 THR H . . A . 19 B3K O . . . 23 . HN . . . . . 19 . O . . c30244_5us3 2 10 1 . . 1 1 19 19 B3K O O . . . 1 1 23 23 THR N N . . . . . 2.9 2.7 3.1 . . . . . A . 19 B3K O . . A . 23 THR N . . . 19 . O . . . . . 23 . N . . c30244_5us3 2 11 1 . . 1 1 24 24 HIS H H . . . 1 1 20 20 HIS O O . . . . . 1.9 1.8 2.0 . . . . . A . 24 HIS H . . A . 20 HIS O . . . 24 . HN . . . . . 20 . O . . c30244_5us3 2 12 1 . . 1 1 20 20 HIS O O . . . 1 1 24 24 HIS N N . . . . . 2.9 2.7 3.1 . . . . . A . 20 HIS O . . A . 24 HIS N . . . 20 . O . . . . . 24 . N . . c30244_5us3 2 13 1 . . 1 1 26 26 ASN H H . . . 1 1 22 22 B3K O O . . . . . 1.9 1.8 2.0 . . . . . A . 26 ASN H . . A . 22 B3K O . . . 26 . HN . . . . . 22 . O . . c30244_5us3 2 14 1 . . 1 1 22 22 B3K O O . . . 1 1 26 26 ASN N N . . . . . 2.9 2.7 3.1 . . . . . A . 22 B3K O . . A . 26 ASN N . . . 22 . O . . . . . 26 . N . . c30244_5us3 2 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 '# Restraints file 2: Hbond_restraints.txt' 1 1 1 41 c30244_5us3 2 stop_ loop_ _Gen_dist_constraint_conv_err.ID _Gen_dist_constraint_conv_err.Gen_dist_constraint_parse_file_ID _Gen_dist_constraint_conv_err.Parse_file_constraint_ID _Gen_dist_constraint_conv_err.Conv_error_type _Gen_dist_constraint_conv_err.Conv_error_note _Gen_dist_constraint_conv_err.Entry_ID _Gen_dist_constraint_conv_err.Gen_dist_constraint_list_ID 1 3 3 1 "Not handling restraint 3, item 1, resonance(s) ' .19.HN' (nmrStar names) not linked" c30244_5us3 2 2 3 9 1 "Not handling restraint 9, item 1, resonance(s) ' .22.HN' (nmrStar names) not linked" c30244_5us3 2 3 3 15 1 "Not handling restraint 15, item 1, resonance(s) ' .25.HN' (nmrStar names) not linked" c30244_5us3 2 4 3 16 1 "Not handling restraint 16, item 1, resonance(s) ' .25.N' (nmrStar names) not linked" c30244_5us3 2 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 c30244_5us3 _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 DE NOVO PROTEIN 13-FEB-17 5US3 *TITLE HETEROGENEOUS-BACKBONE FOLDAMER MIMIC OF THE SP1-3 ZINC FINGER *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: HETEROGENEOUS-BACKBONE VARIANT OF THE SP1-3 ZINC FINGER: N- *COMPND 3 ME-ALA3, N-ME-ARG10, BETA-3-ASP15, BETA-3-LYS19, BETA3-LYS22, BETA-3- *COMPND 4 GLN25; *COMPND 5 CHAIN: A; *COMPND 6 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 ORGANISM_SCIENTIFIC: HOMO SAPIENS; *SOURCE 4 ORGANISM_TAXID: 9606 *KEYWDS ZINC FINGER, HETEROGENEOUS BACKBONE, FOLDAMER, DE NOVO PROTEIN *EXPDTA SOLUTION NMR *NUMMDL 9 *AUTHOR K.L.GEORGE,W.S.HORNE *REVDAT 1 31-MAY-17 5US3 0 ; save_