data_c25820_2n7t ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID c25820_2n7t _Entry.Title ; NMR structure of Peptide PG-992 in DPC micelles ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-12-14 _Entry.Accession_date 2015-12-14 _Entry.Last_release_date 2015-12-14 _Entry.Original_release_date 2015-12-14 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.81 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Alfonso Carotenuto . . . c25820_2n7t 2 Francesco Merlino . . . c25820_2n7t 3 Minying Chai . . . c25820_2n7t 4 Diego Brancaccio . . . c25820_2n7t 5 'Ali Munaim' Yousif . . . c25820_2n7t 6 Ettore Novellino . . . c25820_2n7t 7 'Victor J' Hruby . . . c25820_2n7t 8 Paolo Grieco . . . c25820_2n7t stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . c25820_2n7t stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'DPC micelles' . c25820_2n7t 'MC3 Receptor' . c25820_2n7t 'NMR Conformational Analysis' . c25820_2n7t Peptide . c25820_2n7t stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 c25820_2n7t stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 80 c25820_2n7t stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2015-12-14 . original BMRB . c25820_2n7t stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25813 'Peptide PG-989 in DPC micelles' c25820_2n7t BMRB 25814 'Peptide PG-990 in DPC micelles' c25820_2n7t PDB 2N7T 'BMRB Entry Tracking System' c25820_2n7t stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID c25820_2n7t _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26599352 _Citation.Full_citation . _Citation.Title ; Discovery of Novel Potent and Selective Agonists at the Melanocortin3 Receptor ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Med. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year 2015 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Alfonso Carotenuto . . . c25820_2n7t 1 2 Francesco Merlino . . . c25820_2n7t 1 3 Minying Chai . . . c25820_2n7t 1 4 Diego Brancaccio . . . c25820_2n7t 1 5 'Ali Munaim' Yousif . . . c25820_2n7t 1 6 Ettore Novellino . . . c25820_2n7t 1 7 'Victor J' Hruby . . . c25820_2n7t 1 8 Paolo Grieco . . . c25820_2n7t 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID c25820_2n7t _Assembly.ID 1 _Assembly.Name 'Peptide PG-990' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 PG-992 1 $PG-992 A . yes native no no . . . c25820_2n7t 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PG-992 _Entity.Sf_category entity _Entity.Sf_framecode PG-992 _Entity.Entry_ID c25820_2n7t _Entity.ID 1 _Entity.BMRB_code . _Entity.Name PG-992 _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 ; XXDWPXRWKX ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer yes _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 10 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 1322.594 _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 3 ACE . c25820_2n7t 1 2 4 NLE . c25820_2n7t 1 3 5 ASP . c25820_2n7t 1 4 6 TRP . c25820_2n7t 1 5 7 PRO . c25820_2n7t 1 6 8 4J2 . c25820_2n7t 1 7 9 ARG . c25820_2n7t 1 8 10 TRP . c25820_2n7t 1 9 11 LYS . c25820_2n7t 1 10 12 NH2 . c25820_2n7t 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 . ACE 1 1 c25820_2n7t 1 . NLE 2 2 c25820_2n7t 1 . ASP 3 3 c25820_2n7t 1 . TRP 4 4 c25820_2n7t 1 . PRO 5 5 c25820_2n7t 1 . 4J2 6 6 c25820_2n7t 1 . ARG 7 7 c25820_2n7t 1 . TRP 8 8 c25820_2n7t 1 . LYS 9 9 c25820_2n7t 1 . NH2 10 10 c25820_2n7t 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID c25820_2n7t _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 $PG-992 . 562 'no natural source' . 'Escherichia coli' enterobacteria . . Bacteria . Escherichia coli . . . . . . . . . . . . . c25820_2n7t 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 c25820_2n7t _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 $PG-992 . 'chemical synthesis' . . . . . . . . . . . . . . . . c25820_2n7t 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_NLE _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_NLE _Chem_comp.Entry_ID c25820_2n7t _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 c25820_2n7t NLE CCCC[C@@H](C(=O)O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 c25820_2n7t NLE CCCC[C@H](N)C(O)=O SMILES_CANONICAL CACTVS 3.341 c25820_2n7t NLE CCCC[CH](N)C(O)=O SMILES CACTVS 3.341 c25820_2n7t 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 c25820_2n7t NLE LRQKBLKVPFOOQJ-YFKPBYRVSA-N InChIKey InChI 1.03 c25820_2n7t NLE O=C(O)C(N)CCCC SMILES ACDLabs 10.04 c25820_2n7t 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 c25820_2n7t NLE L-norleucine 'SYSTEMATIC NAME' ACDLabs 10.04 c25820_2n7t 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 . c25820_2n7t NLE CA CA CA CA . C . . S 0 . . . 1 no no . . . . 15.812 . 40.611 . 17.285 . 0.763 0.319 0.492 2 . c25820_2n7t NLE C C C C . C . . N 0 . . . 1 no no . . . . 16.773 . 41.690 . 16.789 . 2.084 -0.218 0.003 3 . c25820_2n7t NLE O O O O . O . . N 0 . . . 1 no no . . . . 16.479 . 42.322 . 15.753 . 2.747 0.426 -0.776 4 . c25820_2n7t NLE OXT OXT OXT OXT . O . . N 0 . . . 1 no yes . . . . 17.818 . 41.883 . 17.441 . 2.524 -1.411 0.433 5 . c25820_2n7t NLE CB CB CB CB . C . . N 0 . . . 1 no no . . . . 14.816 . 41.205 . 18.283 . -0.375 -0.340 -0.289 6 . c25820_2n7t NLE CG CG CG CG . C . . N 0 . . . 1 no no . . . . 13.697 . 40.254 . 18.678 . -1.718 0.110 0.290 7 . c25820_2n7t NLE CD CD CD CD . C . . N 0 . . . 1 no no . . . . 12.730 . 40.911 . 19.645 . -2.857 -0.549 -0.491 8 . c25820_2n7t NLE CE CE CE CE . C . . N 0 . . . 1 no no . . . . 11.636 . 39.956 . 20.071 . -4.200 -0.099 0.087 9 . c25820_2n7t NLE H H H 1HN . H . . N 0 . . . 1 no no . . . . 16.728 . 38.807 . 17.216 . 0.822 2.004 -0.689 10 . c25820_2n7t NLE HN2 HN2 HN2 2HN . H . . N 0 . . . 1 no yes . . . . 17.429 . 39.863 . 18.245 . -0.129 2.166 0.666 11 . c25820_2n7t NLE HA HA HA HA . H . . N 0 . . . 1 no no . . . . 15.250 . 40.215 . 16.426 . 0.652 0.097 1.553 12 . c25820_2n7t NLE HXT HXT HXT HXT . H . . N 0 . . . 1 no yes . . . . 18.329 . 42.568 . 17.026 . 3.377 -1.713 0.092 13 . c25820_2n7t NLE HB2 HB2 HB2 1HB . H . . N 0 . . . 1 no no . . . . 15.369 . 41.477 . 19.194 . -0.315 -0.046 -1.337 14 . c25820_2n7t NLE HB3 HB3 HB3 2HB . H . . N 0 . . . 1 no no . . . . 14.345 . 42.069 . 17.792 . -0.290 -1.424 -0.211 15 . c25820_2n7t NLE HG2 HG2 HG2 1HG . H . . N 0 . . . 1 no no . . . . 13.147 . 39.956 . 17.773 . -1.779 -0.184 1.338 16 . c25820_2n7t NLE HG3 HG3 HG3 2HG . H . . N 0 . . . 1 no no . . . . 14.143 . 39.379 . 19.173 . -1.803 1.194 0.211 17 . c25820_2n7t NLE HD2 HD2 HD2 1HD . H . . N 0 . . . 1 no no . . . . 13.286 . 41.234 . 20.538 . -2.796 -0.255 -1.539 18 . c25820_2n7t NLE HD3 HD3 HD3 2HD . H . . N 0 . . . 1 no no . . . . 12.263 . 41.768 . 19.138 . -2.772 -1.633 -0.413 19 . c25820_2n7t NLE HE1 HE1 HE1 1HE . H . . N 0 . . . 1 no no . . . . 11.747 . 39.724 . 21.141 . -4.284 0.985 0.009 20 . c25820_2n7t NLE HE2 HE2 HE2 2HE . H . . N 0 . . . 1 no no . . . . 10.655 . 40.422 . 19.897 . -5.011 -0.568 -0.469 21 . c25820_2n7t NLE HE3 HE3 HE3 3HE . H . . N 0 . . . 1 no no . . . . 11.711 . 39.028 . 19.485 . -4.260 -0.393 1.135 22 . c25820_2n7t 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 . c25820_2n7t NLE 2 . SING N H no N 2 . c25820_2n7t NLE 3 . SING N HN2 no N 3 . c25820_2n7t NLE 4 . SING CA C no N 4 . c25820_2n7t NLE 5 . SING CA CB no N 5 . c25820_2n7t NLE 6 . SING CA HA no N 6 . c25820_2n7t NLE 7 . DOUB C O no N 7 . c25820_2n7t NLE 8 . SING C OXT no N 8 . c25820_2n7t NLE 9 . SING OXT HXT no N 9 . c25820_2n7t NLE 10 . SING CB CG no N 10 . c25820_2n7t NLE 11 . SING CB HB2 no N 11 . c25820_2n7t NLE 12 . SING CB HB3 no N 12 . c25820_2n7t NLE 13 . SING CG CD no N 13 . c25820_2n7t NLE 14 . SING CG HG2 no N 14 . c25820_2n7t NLE 15 . SING CG HG3 no N 15 . c25820_2n7t NLE 16 . SING CD CE no N 16 . c25820_2n7t NLE 17 . SING CD HD2 no N 17 . c25820_2n7t NLE 18 . SING CD HD3 no N 18 . c25820_2n7t NLE 19 . SING CE HE1 no N 19 . c25820_2n7t NLE 20 . SING CE HE2 no N 20 . c25820_2n7t NLE 21 . SING CE HE3 no N 21 . c25820_2n7t NLE stop_ save_ save_chem_comp_4J2 _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_4J2 _Chem_comp.Entry_ID c25820_2n7t _Chem_comp.ID 4J2 _Chem_comp.Provenance PDB _Chem_comp.Name '(2R)-2-amino-3-(naphthalen-2-yl)propanoic acid' _Chem_comp.Type 'D-PEPTIDE LINKING' _Chem_comp.BMRB_code 4J2 _Chem_comp.PDB_code 4J2 _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2015-09-18 _Chem_comp.Modified_date 2015-09-18 _Chem_comp.Release_status HOLD _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code 4J2 _Chem_comp.Number_atoms_all 29 _Chem_comp.Number_atoms_nh 16 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InCHi_code InChI=1S/C13H13NO2/c14-12(13(15)16)8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7,12H,8,14H2,(H,15,16)/t12-/m1/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 . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C13 H13 N O2' _Chem_comp.Formula_weight 215.248 _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 2N7O _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/C13H13NO2/c14-12(13(15)16)8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7,12H,8,14H2,(H,15,16)/t12-/m1/s1 InChI InChI 1.03 c25820_2n7t 4J2 JPZXHKDZASGCLU-GFCCVEGCSA-N InChIKey InChI 1.03 c25820_2n7t 4J2 NC(Cc1ccc2ccccc2c1)C(=O)O SMILES ACDLabs 12.01 c25820_2n7t 4J2 N[C@H](Cc1ccc2ccccc2c1)C(O)=O SMILES_CANONICAL CACTVS 3.385 c25820_2n7t 4J2 N[CH](Cc1ccc2ccccc2c1)C(O)=O SMILES CACTVS 3.385 c25820_2n7t 4J2 c1ccc2cc(ccc2c1)CC(C(=O)O)N SMILES 'OpenEye OEToolkits' 1.7.6 c25820_2n7t 4J2 c1ccc2cc(ccc2c1)C[C@H](C(=O)O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.7.6 c25820_2n7t 4J2 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 '(2R)-2-amino-3-(naphthalen-2-yl)propanoic acid (non-preferred name)' 'SYSTEMATIC NAME' ACDLabs 12.01 c25820_2n7t 4J2 '(2R)-2-azanyl-3-naphthalen-2-yl-propanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.7.6 c25820_2n7t 4J2 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 . . . . -2.152 . 3.603 . -0.576 . -2.014 1.375 0.924 1 . c25820_2n7t 4J2 CA CA CA CA . C . . R 0 . . . 1 no no . . . . -2.977 . 2.529 . 0.037 . -2.452 0.060 0.436 2 . c25820_2n7t 4J2 CB CB CB CB . C . . N 0 . . . 1 no no . . . . -2.307 . 1.991 . 1.339 . -1.679 -0.295 -0.835 3 . c25820_2n7t 4J2 CG CG CG CG . C . . N 0 . . . 1 yes no . . . . -1.762 . 2.988 . 2.369 . -0.217 -0.458 -0.506 4 . c25820_2n7t 4J2 CD1 CD1 CD1 CD1 . C . . N 0 . . . 1 yes no . . . . -0.395 . 3.058 . 2.615 . 0.268 -1.711 -0.137 5 . c25820_2n7t 4J2 CD2 CD2 CD2 CD2 . C . . N 0 . . . 1 yes no . . . . -2.629 . 3.838 . 3.038 . 0.611 0.620 -0.579 6 . c25820_2n7t 4J2 CE1 CE1 CE1 CE1 . C . . N 0 . . . 1 yes no . . . . 0.130 . 3.989 . 3.497 . 1.582 -1.892 0.167 7 . c25820_2n7t 4J2 CZ1 CZ1 CZ1 CZ1 . C . . N 0 . . . 1 yes no . . . . -0.720 . 4.872 . 4.158 . 2.466 -0.801 0.109 8 . c25820_2n7t 4J2 CZ2 CZ2 CZ2 CZ2 . C . . N 0 . . . 1 yes no . . . . -0.216 . 5.828 . 5.034 . 3.829 -0.950 0.416 9 . c25820_2n7t 4J2 CZ3 CZ3 CZ3 CZ3 . C . . N 0 . . . 1 yes no . . . . -1.083 . 6.698 . 5.692 . 4.656 0.129 0.348 10 . c25820_2n7t 4J2 CE2 CE2 CE2 CE2 . C . . N 0 . . . 1 yes no . . . . -2.139 . 4.793 . 3.931 . 1.974 0.472 -0.272 11 . c25820_2n7t 4J2 CE3 CE3 CE3 CE3 . C . . N 0 . . . 1 yes no . . . . -2.987 . 5.673 . 4.605 . 2.859 1.562 -0.336 12 . c25820_2n7t 4J2 CE4 CE4 CE4 CE4 . C . . N 0 . . . 1 yes no . . . . -2.457 . 6.619 . 5.480 . 4.171 1.383 -0.021 13 . c25820_2n7t 4J2 HE1 HE1 HE1 HE1 . H . . N 0 . . . 0 no no . . . . 1.195 . 4.030 . 3.671 . 1.943 -2.869 0.452 14 . c25820_2n7t 4J2 HE3 HE3 HE3 HE3 . H . . N 0 . . . 0 no no . . . . -4.054 . 5.621 . 4.448 . 2.498 2.538 -0.624 15 . c25820_2n7t 4J2 HE4 HE4 HE4 HE4 . H . . N 0 . . . 0 no no . . . . -3.118 . 7.297 . 5.999 . 4.848 2.223 -0.067 16 . c25820_2n7t 4J2 C C C C . C . . N 0 . . . 1 no no . . . . -3.249 . 1.363 . -0.966 . -3.927 0.102 0.132 17 . c25820_2n7t 4J2 O O O O . O . . N 0 . . . 1 no no . . . . -4.402 . 1.043 . -1.261 . -4.476 1.163 -0.049 18 . c25820_2n7t 4J2 H H H H . H . . N 0 . . . 1 no no . . . . -2.598 . 3.933 . -1.408 . -1.043 1.355 1.196 19 . c25820_2n7t 4J2 H1 H1 H1 H1 . H . . N 0 . . . 1 no no . . . . -2.054 . 4.358 . 0.072 . -2.182 2.091 0.234 20 . c25820_2n7t 4J2 HA HA HA HA . H . . N 0 . . . 1 no no . . . . -3.951 . 2.957 . 0.318 . -2.260 -0.693 1.200 21 . c25820_2n7t 4J2 HB2 HB2 HB2 HB2 . H . . N 0 . . . 0 no no . . . . -3.058 . 1.374 . 1.855 . -2.065 -1.228 -1.247 22 . c25820_2n7t 4J2 HB1 HB1 HB1 HB1 . H . . N 0 . . . 0 no no . . . . -1.463 . 1.358 . 1.028 . -1.799 0.503 -1.568 23 . c25820_2n7t 4J2 HD1 HD1 HD1 HD1 . H . . N 0 . . . 0 no no . . . . 0.270 . 2.374 . 2.109 . -0.410 -2.551 -0.091 24 . c25820_2n7t 4J2 HD2 HD2 HD2 HD2 . H . . N 0 . . . 0 no no . . . . -3.693 . 3.761 . 2.867 . 0.222 1.585 -0.871 25 . c25820_2n7t 4J2 HZ2 HZ2 HZ2 HZ2 . H . . N 0 . . . 0 no no . . . . 0.848 . 5.896 . 5.204 . 4.219 -1.915 0.704 26 . c25820_2n7t 4J2 HZ23 HZ23 HZ23 HZ3 . H . . N 0 . . . 0 no no . . . . -0.687 . 7.439 . 6.371 . 5.703 0.013 0.585 27 . c25820_2n7t 4J2 OXT OXT OXT OXT . O . . N 0 . . . 1 no yes . . . . -2.455 . 0.855 . -1.386 . -4.631 -1.038 0.063 28 . c25820_2n7t 4J2 HXT HXT HXT HXT . H . . N 0 . . . 1 no yes . . . . -2.783 . 0.180 . -1.969 . -5.574 -0.961 -0.135 29 . c25820_2n7t 4J2 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 . c25820_2n7t 4J2 2 . SING CA CB no N 2 . c25820_2n7t 4J2 3 . SING CA C no N 3 . c25820_2n7t 4J2 4 . SING CB CG no N 4 . c25820_2n7t 4J2 5 . DOUB CG CD1 yes N 5 . c25820_2n7t 4J2 6 . SING CG CD2 yes N 6 . c25820_2n7t 4J2 7 . SING CD1 CE1 yes N 7 . c25820_2n7t 4J2 8 . DOUB CD2 CE2 yes N 8 . c25820_2n7t 4J2 9 . DOUB CE1 CZ1 yes N 9 . c25820_2n7t 4J2 10 . SING CE1 HE1 no N 10 . c25820_2n7t 4J2 11 . SING CZ1 CZ2 yes N 11 . c25820_2n7t 4J2 12 . SING CZ1 CE2 yes N 12 . c25820_2n7t 4J2 13 . DOUB CZ2 CZ3 yes N 13 . c25820_2n7t 4J2 14 . SING CZ3 CE4 yes N 14 . c25820_2n7t 4J2 15 . SING CE2 CE3 yes N 15 . c25820_2n7t 4J2 16 . DOUB CE3 CE4 yes N 16 . c25820_2n7t 4J2 17 . SING CE3 HE3 no N 17 . c25820_2n7t 4J2 18 . SING CE4 HE4 no N 18 . c25820_2n7t 4J2 19 . DOUB C O no N 19 . c25820_2n7t 4J2 20 . SING N H no N 20 . c25820_2n7t 4J2 21 . SING N H1 no N 21 . c25820_2n7t 4J2 22 . SING CA HA no N 22 . c25820_2n7t 4J2 23 . SING CB HB2 no N 23 . c25820_2n7t 4J2 24 . SING CB HB1 no N 24 . c25820_2n7t 4J2 25 . SING CD1 HD1 no N 25 . c25820_2n7t 4J2 26 . SING CD2 HD2 no N 26 . c25820_2n7t 4J2 27 . SING CZ2 HZ2 no N 27 . c25820_2n7t 4J2 28 . SING CZ3 HZ23 no N 28 . c25820_2n7t 4J2 29 . SING C OXT no N 29 . c25820_2n7t 4J2 30 . SING OXT HXT no N 30 . c25820_2n7t 4J2 stop_ save_ save_chem_comp_NH2 _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_NH2 _Chem_comp.Entry_ID c25820_2n7t _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 c25820_2n7t NH2 N SMILES ACDLabs 10.04 c25820_2n7t NH2 QGZKDVFQNNGYKY-UHFFFAOYAF InChIKey InChI 1.02b c25820_2n7t NH2 [NH2] SMILES CACTVS 3.341 c25820_2n7t NH2 [NH2] SMILES 'OpenEye OEToolkits' 1.5.0 c25820_2n7t NH2 [NH2] SMILES_CANONICAL CACTVS 3.341 c25820_2n7t NH2 [NH2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 c25820_2n7t 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 c25820_2n7t NH2 l^{2}-azane 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 c25820_2n7t 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 . c25820_2n7t NH2 HN1 HN1 HN1 1HN . H . . N 0 . . . 1 no no . . . . 9.517 . 8.769 . -7.044 . -0.385 -0.545 -0.771 2 . c25820_2n7t NH2 HN2 HN2 HN2 2HN . H . . N 0 . . . 1 no no . . . . 10.323 . 9.890 . -8.082 . 1.020 0.000 0.000 3 . c25820_2n7t 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 . c25820_2n7t NH2 2 . SING N HN2 no N 2 . c25820_2n7t NH2 stop_ save_ save_chem_comp_ACE _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ACE _Chem_comp.Entry_ID c25820_2n7t _Chem_comp.ID ACE _Chem_comp.Provenance PDB _Chem_comp.Name 'ACETYL GROUP' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ACE _Chem_comp.PDB_code ACE _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 ACU _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ACE _Chem_comp.Number_atoms_all 7 _Chem_comp.Number_atoms_nh 3 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InCHi_code InChI=1S/C2H4O/c1-2-3/h2H,1H3 _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 'C2 H4 O' _Chem_comp.Formula_weight 44.053 _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 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 CC=O SMILES CACTVS 3.341 c25820_2n7t ACE CC=O SMILES 'OpenEye OEToolkits' 1.5.0 c25820_2n7t ACE CC=O SMILES_CANONICAL CACTVS 3.341 c25820_2n7t ACE CC=O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 c25820_2n7t ACE IKHGUXGNUITLKF-UHFFFAOYSA-N InChIKey InChI 1.03 c25820_2n7t ACE InChI=1S/C2H4O/c1-2-3/h2H,1H3 InChI InChI 1.03 c25820_2n7t ACE O=CC SMILES ACDLabs 10.04 c25820_2n7t ACE 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 acetaldehyde 'SYSTEMATIC NAME' ACDLabs 10.04 c25820_2n7t ACE ethanal 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 c25820_2n7t ACE 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 C C C C . C . . N 0 . . . 1 no no . . . . 0.772 . -10.072 . 6.578 . -0.133 0.453 0.000 1 . c25820_2n7t ACE O O O O . O . . N 0 . . . 1 no no . . . . 1.973 . -10.223 . 6.862 . -1.113 -0.252 0.000 2 . c25820_2n7t ACE CH3 CH3 CH3 CH3 . C . . N 0 . . . 1 no no . . . . -0.322 . -10.677 . 7.405 . 1.241 -0.167 0.000 3 . c25820_2n7t ACE H H H H . H . . N 0 . . . 1 no no . . . . 0.685 . -9.453 . 5.669 . -0.240 1.528 0.000 4 . c25820_2n7t ACE H1 H1 H1 1H . H . . N 0 . . . 1 no no . . . . -1.191 . -10.444 . 7.018 . 1.360 -0.785 0.890 5 . c25820_2n7t ACE H2 H2 H2 2H . H . . N 0 . . . 1 no no . . . . -0.269 . -10.331 . 8.320 . 1.360 -0.785 -0.890 6 . c25820_2n7t ACE H3 H3 H3 3H . H . . N 0 . . . 1 no no . . . . -0.221 . -11.652 . 7.418 . 1.995 0.620 0.000 7 . c25820_2n7t ACE 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 . DOUB C O no N 1 . c25820_2n7t ACE 2 . SING C CH3 no N 2 . c25820_2n7t ACE 3 . SING C H no N 3 . c25820_2n7t ACE 4 . SING CH3 H1 no N 4 . c25820_2n7t ACE 5 . SING CH3 H2 no N 5 . c25820_2n7t ACE 6 . SING CH3 H3 no N 6 . c25820_2n7t ACE stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID c25820_2n7t _Sample.ID 1 _Sample.Type micelle _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 PG-992 'natural abundance' . . 1 $PG-992 . . 2 . . mM . . . . c25820_2n7t 1 2 DPC [U-2H] . . . . . . 200 . . mM . . . . c25820_2n7t 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . c25820_2n7t 1 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . c25820_2n7t 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 c25820_2n7t _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' 10 . mM c25820_2n7t 1 pH 5.5 . pH c25820_2n7t 1 pressure 1 . atm c25820_2n7t 1 temperature 298.0 . K c25820_2n7t 1 stop_ save_ ############################ # Computer software used # ############################ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID c25820_2n7t _Software.ID 1 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . c25820_2n7t 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' c25820_2n7t 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID c25820_2n7t _Software.ID 2 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . c25820_2n7t 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' c25820_2n7t 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID c25820_2n7t _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID c25820_2n7t _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 700 . . . c25820_2n7t 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 c25820_2n7t _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . c25820_2n7t 1 2 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . c25820_2n7t 1 3 '2D DQF-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . c25820_2n7t 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID c25820_2n7t _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . c25820_2n7t 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID c25820_2n7t _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H NOESY' . . . c25820_2n7t 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ACE H1 H 1 1.912 0.000 . . . . . . 3 ACE QH . c25820_2n7t 1 2 . 1 1 1 1 ACE H2 H 1 1.912 0.000 . . . . . . 3 ACE QH . c25820_2n7t 1 3 . 1 1 1 1 ACE H3 H 1 1.912 0.000 . . . . . . 3 ACE QH . c25820_2n7t 1 4 . 1 1 2 2 NLE HA H 1 5.021 0.000 . . . . . A 4 NLE HA . c25820_2n7t 1 5 . 1 1 2 2 NLE HB2 H 1 1.521 0.000 . . . . . A 4 NLE HB2 . c25820_2n7t 1 6 . 1 1 2 2 NLE HB3 H 1 1.665 0.000 . . . . . A 4 NLE HB3 . c25820_2n7t 1 7 . 1 1 2 2 NLE HG2 H 1 0.636 0.000 . . . . . A 4 NLE HG2 . c25820_2n7t 1 8 . 1 1 2 2 NLE HG3 H 1 0.836 0.000 . . . . . A 4 NLE HG3 . c25820_2n7t 1 9 . 1 1 2 2 NLE HN H 1 7.977 0.000 . . . . . A 4 NLE HN . c25820_2n7t 1 10 . 1 1 2 2 NLE HD2 H 1 1.159 0.000 . . . . . A 4 NLE QD . c25820_2n7t 1 11 . 1 1 2 2 NLE HD3 H 1 1.159 0.000 . . . . . A 4 NLE QD . c25820_2n7t 1 12 . 1 1 2 2 NLE HE1 H 1 0.371 0.000 . . . . . A 4 NLE QE . c25820_2n7t 1 13 . 1 1 2 2 NLE HE2 H 1 0.371 0.000 . . . . . A 4 NLE QE . c25820_2n7t 1 14 . 1 1 2 2 NLE HE3 H 1 0.371 0.000 . . . . . A 4 NLE QE . c25820_2n7t 1 15 . 1 1 3 3 ASP H H 1 8.807 0.001 . . . . . A 5 ASP H . c25820_2n7t 1 16 . 1 1 3 3 ASP HA H 1 5.506 0.000 . . . . . A 5 ASP HA . c25820_2n7t 1 17 . 1 1 3 3 ASP HB2 H 1 2.541 0.000 . . . . . A 5 ASP HB2 . c25820_2n7t 1 18 . 1 1 3 3 ASP HB3 H 1 2.933 0.000 . . . . . A 5 ASP HB3 . c25820_2n7t 1 19 . 1 1 4 4 TRP H H 1 7.928 0.000 . . . . . A 6 TRP H . c25820_2n7t 1 20 . 1 1 4 4 TRP HA H 1 3.959 0.000 . . . . . A 6 TRP HA . c25820_2n7t 1 21 . 1 1 4 4 TRP HB2 H 1 3.063 0.000 . . . . . A 6 TRP HB2 . c25820_2n7t 1 22 . 1 1 4 4 TRP HB3 H 1 3.101 0.030 . . . . . A 6 TRP HB3 . c25820_2n7t 1 23 . 1 1 4 4 TRP HD1 H 1 6.975 0.001 . . . . . A 6 TRP HD1 . c25820_2n7t 1 24 . 1 1 4 4 TRP HE1 H 1 10.677 0.000 . . . . . A 6 TRP HE1 . c25820_2n7t 1 25 . 1 1 4 4 TRP HE3 H 1 6.253 0.001 . . . . . A 6 TRP HE3 . c25820_2n7t 1 26 . 1 1 4 4 TRP HZ2 H 1 7.420 0.000 . . . . . A 6 TRP HZ2 . c25820_2n7t 1 27 . 1 1 4 4 TRP HZ3 H 1 6.661 0.000 . . . . . A 6 TRP HZ3 . c25820_2n7t 1 28 . 1 1 4 4 TRP HH2 H 1 7.001 0.000 . . . . . A 6 TRP HH2 . c25820_2n7t 1 29 . 1 1 5 5 PRO HA H 1 2.715 0.001 . . . . . A 7 PRO HA . c25820_2n7t 1 30 . 1 1 5 5 PRO HB2 H 1 0.228 0.000 . . . . . A 7 PRO HB2 . c25820_2n7t 1 31 . 1 1 5 5 PRO HB3 H 1 1.628 0.000 . . . . . A 7 PRO HB3 . c25820_2n7t 1 32 . 1 1 5 5 PRO HG2 H 1 1.175 0.000 . . . . . A 7 PRO HG2 . c25820_2n7t 1 33 . 1 1 5 5 PRO HG3 H 1 1.615 0.000 . . . . . A 7 PRO HG3 . c25820_2n7t 1 34 . 1 1 5 5 PRO HD2 H 1 3.050 0.000 . . . . . A 7 PRO HD2 . c25820_2n7t 1 35 . 1 1 5 5 PRO HD3 H 1 3.311 0.000 . . . . . A 7 PRO HD3 . c25820_2n7t 1 36 . 1 1 6 6 4J2 HA H 1 4.844 0.000 . . . . . A 8 4J2 HA . c25820_2n7t 1 37 . 1 1 6 6 4J2 HB2 H 1 2.832 0.000 . . . . . A 8 4J2 HB2 . c25820_2n7t 1 38 . 1 1 6 6 4J2 HB3 H 1 3.059 0.000 . . . . . A 8 4J2 HB3 . c25820_2n7t 1 39 . 1 1 6 6 4J2 HD1 H 1 7.115 0.001 . . . . . A 8 4J2 HD1 . c25820_2n7t 1 40 . 1 1 6 6 4J2 HD2 H 1 7.382 0.002 . . . . . A 8 4J2 HD2 . c25820_2n7t 1 41 . 1 1 6 6 4J2 HE1 H 1 7.553 0.000 . . . . . A 8 4J2 HE1 . c25820_2n7t 1 42 . 1 1 6 6 4J2 HE3 H 1 7.924 0.000 . . . . . A 8 4J2 HE3 . c25820_2n7t 1 43 . 1 1 6 6 4J2 HE4 H 1 7.592 0.000 . . . . . A 8 4J2 HE4 . c25820_2n7t 1 44 . 1 1 6 6 4J2 HN H 1 8.868 0.000 . . . . . A 8 4J2 HN . c25820_2n7t 1 45 . 1 1 6 6 4J2 HZ2 H 1 7.887 0.000 . . . . . A 8 4J2 HZ2 . c25820_2n7t 1 46 . 1 1 6 6 4J2 HZ3 H 1 7.507 0.000 . . . . . A 8 4J2 HZ3 . c25820_2n7t 1 47 . 1 1 7 7 ARG H H 1 8.308 0.000 . . . . . A 9 ARG H . c25820_2n7t 1 48 . 1 1 7 7 ARG HA H 1 4.726 0.000 . . . . . A 9 ARG HA . c25820_2n7t 1 49 . 1 1 7 7 ARG HB2 H 1 1.674 0.000 . . . . . A 9 ARG HB2 . c25820_2n7t 1 50 . 1 1 7 7 ARG HB3 H 1 1.876 0.000 . . . . . A 9 ARG HB3 . c25820_2n7t 1 51 . 1 1 7 7 ARG HG2 H 1 1.455 0.000 . . . . . A 9 ARG HG2 . c25820_2n7t 1 52 . 1 1 7 7 ARG HG3 H 1 1.534 0.000 . . . . . A 9 ARG HG3 . c25820_2n7t 1 53 . 1 1 7 7 ARG HD2 H 1 3.157 0.000 . . . . . A 9 ARG HD2 . c25820_2n7t 1 54 . 1 1 7 7 ARG HD3 H 1 3.157 0.000 . . . . . A 9 ARG HD3 . c25820_2n7t 1 55 . 1 1 7 7 ARG HE H 1 7.151 0.000 . . . . . A 9 ARG HE . c25820_2n7t 1 56 . 1 1 8 8 TRP H H 1 9.085 0.000 . . . . . A 10 TRP H . c25820_2n7t 1 57 . 1 1 8 8 TRP HA H 1 5.171 0.000 . . . . . A 10 TRP HA . c25820_2n7t 1 58 . 1 1 8 8 TRP HB2 H 1 3.148 0.000 . . . . . A 10 TRP HB2 . c25820_2n7t 1 59 . 1 1 8 8 TRP HB3 H 1 3.389 0.000 . . . . . A 10 TRP HB3 . c25820_2n7t 1 60 . 1 1 8 8 TRP HD1 H 1 7.299 0.000 . . . . . A 10 TRP HD1 . c25820_2n7t 1 61 . 1 1 8 8 TRP HE1 H 1 10.671 0.000 . . . . . A 10 TRP HE1 . c25820_2n7t 1 62 . 1 1 8 8 TRP HE3 H 1 7.697 0.001 . . . . . A 10 TRP HE3 . c25820_2n7t 1 63 . 1 1 8 8 TRP HZ2 H 1 7.498 0.000 . . . . . A 10 TRP HZ2 . c25820_2n7t 1 64 . 1 1 8 8 TRP HZ3 H 1 6.962 0.001 . . . . . A 10 TRP HZ3 . c25820_2n7t 1 65 . 1 1 8 8 TRP HH2 H 1 7.078 0.000 . . . . . A 10 TRP HH2 . c25820_2n7t 1 66 . 1 1 9 9 LYS H H 1 8.689 0.000 . . . . . A 11 LYS H . c25820_2n7t 1 67 . 1 1 9 9 LYS HA H 1 4.176 0.000 . . . . . A 11 LYS HA . c25820_2n7t 1 68 . 1 1 9 9 LYS HB2 H 1 1.531 0.000 . . . . . A 11 LYS HB2 . c25820_2n7t 1 69 . 1 1 9 9 LYS HB3 H 1 1.745 0.000 . . . . . A 11 LYS HB3 . c25820_2n7t 1 70 . 1 1 9 9 LYS HG2 H 1 1.199 0.000 . . . . . A 11 LYS HG2 . c25820_2n7t 1 71 . 1 1 9 9 LYS HG3 H 1 1.307 0.000 . . . . . A 11 LYS HG3 . c25820_2n7t 1 72 . 1 1 9 9 LYS HD2 H 1 1.448 0.000 . . . . . A 11 LYS HD2 . c25820_2n7t 1 73 . 1 1 9 9 LYS HD3 H 1 1.448 0.000 . . . . . A 11 LYS HD3 . c25820_2n7t 1 74 . 1 1 9 9 LYS HE2 H 1 3.059 0.000 . . . . . A 11 LYS HE2 . c25820_2n7t 1 75 . 1 1 9 9 LYS HE3 H 1 3.384 0.000 . . . . . A 11 LYS HE3 . c25820_2n7t 1 76 . 1 1 9 9 LYS HZ1 H 1 7.881 0.000 . . . . . A 11 LYS HZ1 . c25820_2n7t 1 77 . 1 1 9 9 LYS HZ2 H 1 7.881 0.000 . . . . . A 11 LYS QZ . c25820_2n7t 1 78 . 1 1 9 9 LYS HZ3 H 1 7.881 0.000 . . . . . A 11 LYS QZ . c25820_2n7t 1 79 . 1 1 10 10 NH2 HN1 H 1 6.497 0.000 . . . . . A 12 NH2 HN1 . c25820_2n7t 1 80 . 1 1 10 10 NH2 HN2 H 1 7.128 0.000 . . . . . A 12 NH2 HN2 . c25820_2n7t 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 c25820_2n7t _Conformer_stat_list.ID 1 _Conformer_stat_list.Conf_family_coord_set_ID 1 _Conformer_stat_list.Conf_family_coord_set_label $Original_constraints_and_structures _Conformer_stat_list.Conformer_submitted_total_num 10 save_ ##################################### # Conformer family coordinate set # ##################################### save_ensemble_of_conformers _Conformer_family_coord_set.Sf_category conformer_family_coord_set _Conformer_family_coord_set.Sf_framecode ensemble_of_conformers _Conformer_family_coord_set.Entry_ID c25820_2n7t _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 . . . c25820_2n7t 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 . . . . c25820_2n7t 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 ACE C C 0.411 -4.349 1.353 . . . 1.0 . . . . . . . . . . . . A . 3 ACE C . . . . . . . . . c25820_2n7t 1 . 1 . 2 . 1 1 1 ACE CH3 C 0.776 -5.761 1.770 . . . 1.0 . . . . . . . . . . . . A . 3 ACE CH3 . . . . . . . . . c25820_2n7t 1 . 1 . 3 . 1 1 1 ACE H1 H 0.829 -6.425 0.890 . . . 1.0 . . . . . . . . . . . . A . 3 ACE H1 . . . . . . . . . c25820_2n7t 1 . 1 . 4 . 1 1 1 ACE H2 H 1.762 -5.785 2.267 . . . 1.0 . . . . . . . . . . . . A . 3 ACE H2 . . . . . . . . . c25820_2n7t 1 . 1 . 5 . 1 1 1 ACE H3 H 0.028 -6.194 2.459 . . . 1.0 . . . . . . . . . . . . A . 3 ACE H3 . . . . . . . . . c25820_2n7t 1 . 1 . 6 . 1 1 1 ACE O O 0.401 -4.026 0.166 . . . 1.0 . . . . . . . . . . . . A . 3 ACE O . . . . . . . . . c25820_2n7t 1 . 1 . 7 . 1 1 2 NLE C C 0.927 -1.128 1.976 . . . 1.0 . . . . . . . . . . . . A . 4 NLE C . . . . . . . . . c25820_2n7t 1 . 1 . 8 . 1 1 2 NLE CA C -0.287 -2.099 2.116 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CA . . . . . . . . . c25820_2n7t 1 . 1 . 9 . 1 1 2 NLE CB C -1.316 -1.661 3.185 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CB . . . . . . . . . c25820_2n7t 1 . 1 . 10 . 1 1 2 NLE CD C -2.082 -1.606 5.658 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CD . . . . . . . . . c25820_2n7t 1 . 1 . 11 . 1 1 2 NLE CE C -2.798 -0.249 5.694 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CE . . . . . . . . . c25820_2n7t 1 . 1 . 12 . 1 1 2 NLE CG C -0.895 -1.673 4.678 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CG . . . . . . . . . c25820_2n7t 1 . 1 . 13 . 1 1 2 NLE H H 0.115 -3.924 3.280 . . . 1.0 . . . . . . . . . . . . A . 4 NLE H . . . . . . . . . c25820_2n7t 1 . 1 . 14 . 1 1 2 NLE HA H -0.866 -2.077 1.170 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HA . . . . . . . . . c25820_2n7t 1 . 1 . 15 . 1 1 2 NLE HB2 H -2.215 -2.281 3.042 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HB2 . . . . . . . . . c25820_2n7t 1 . 1 . 16 . 1 1 2 NLE HB3 H -1.665 -0.646 2.936 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HB3 . . . . . . . . . c25820_2n7t 1 . 1 . 17 . 1 1 2 NLE HD2 H -1.714 -1.835 6.676 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HD2 . . . . . . . . . c25820_2n7t 1 . 1 . 18 . 1 1 2 NLE HD3 H -2.808 -2.408 5.424 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HD3 . . . . . . . . . c25820_2n7t 1 . 1 . 19 . 1 1 2 NLE HE1 H -2.115 0.560 6.010 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HE1 . . . . . . . . . c25820_2n7t 1 . 1 . 20 . 1 1 2 NLE HE2 H -3.209 0.034 4.706 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HE2 . . . . . . . . . c25820_2n7t 1 . 1 . 21 . 1 1 2 NLE HE3 H -3.643 -0.258 6.406 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HE3 . . . . . . . . . c25820_2n7t 1 . 1 . 22 . 1 1 2 NLE HG2 H -0.182 -0.849 4.880 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HG2 . . . . . . . . . c25820_2n7t 1 . 1 . 23 . 1 1 2 NLE HG3 H -0.327 -2.595 4.900 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HG3 . . . . . . . . . c25820_2n7t 1 . 1 . 24 . 1 1 2 NLE N N 0.117 -3.511 2.346 . . . 1.0 . . . . . . . . . . . . A . 4 NLE N . . . . . . . . . c25820_2n7t 1 . 1 . 25 . 1 1 2 NLE O O 1.719 -0.927 2.902 . . . 1.0 . . . . . . . . . . . . A . 4 NLE O . . . . . . . . . c25820_2n7t 1 . 1 . 26 . 1 1 3 ASP C C 1.718 1.826 0.249 . . . 1.0 . . . . . . . . . . . . A . 5 ASP C . . . . . . . . . c25820_2n7t 1 . 1 . 27 . 1 1 3 ASP CA C 2.189 0.345 0.406 . . . 1.0 . . . . . . . . . . . . A . 5 ASP CA . . . . . . . . . c25820_2n7t 1 . 1 . 28 . 1 1 3 ASP CB C 2.805 -0.221 -0.903 . . . 1.0 . . . . . . . . . . . . A . 5 ASP CB . . . . . . . . . c25820_2n7t 1 . 1 . 29 . 1 1 3 ASP CG C 3.748 -1.418 -0.709 . . . 1.0 . . . . . . . . . . . . A . 5 ASP CG . . . . . . . . . c25820_2n7t 1 . 1 . 30 . 1 1 3 ASP H H 0.287 -0.772 0.128 . . . 1.0 . . . . . . . . . . . . A . 5 ASP H . . . . . . . . . c25820_2n7t 1 . 1 . 31 . 1 1 3 ASP HA H 2.978 0.312 1.188 . . . 1.0 . . . . . . . . . . . . A . 5 ASP HA . . . . . . . . . c25820_2n7t 1 . 1 . 32 . 1 1 3 ASP HB2 H 2.026 -0.455 -1.653 . . . 1.0 . . . . . . . . . . . . A . 5 ASP HB2 . . . . . . . . . c25820_2n7t 1 . 1 . 33 . 1 1 3 ASP HB3 H 3.405 0.567 -1.390 . . . 1.0 . . . . . . . . . . . . A . 5 ASP HB3 . . . . . . . . . c25820_2n7t 1 . 1 . 34 . 1 1 3 ASP N N 1.043 -0.525 0.788 . . . 1.0 . . . . . . . . . . . . A . 5 ASP N . . . . . . . . . c25820_2n7t 1 . 1 . 35 . 1 1 3 ASP O O 0.756 2.113 -0.472 . . . 1.0 . . . . . . . . . . . . A . 5 ASP O . . . . . . . . . c25820_2n7t 1 . 1 . 36 . 1 1 3 ASP OD1 O 4.957 -1.222 -0.580 . . . 1.0 . . . . . . . . . . . . A . 5 ASP OD1 . . . . . . . . . c25820_2n7t 1 . 1 . 37 . 1 1 4 TRP C C 1.886 4.949 -0.356 . . . 1.0 . . . . . . . . . . . . A . 6 TRP C . . . . . . . . . c25820_2n7t 1 . 1 . 38 . 1 1 4 TRP CA C 1.976 4.194 1.031 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CA . . . . . . . . . c25820_2n7t 1 . 1 . 39 . 1 1 4 TRP CB C 2.962 4.881 2.022 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CB . . . . . . . . . c25820_2n7t 1 . 1 . 40 . 1 1 4 TRP CD1 C 2.947 7.486 1.687 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CD1 . . . . . . . . . c25820_2n7t 1 . 1 . 41 . 1 1 4 TRP CD2 C 1.828 6.772 3.473 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CD2 . . . . . . . . . c25820_2n7t 1 . 1 . 42 . 1 1 4 TRP CE2 C 1.699 8.181 3.358 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CE2 . . . . . . . . . c25820_2n7t 1 . 1 . 43 . 1 1 4 TRP CE3 C 1.156 6.073 4.506 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CE3 . . . . . . . . . c25820_2n7t 1 . 1 . 44 . 1 1 4 TRP CG C 2.611 6.326 2.421 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CG . . . . . . . . . c25820_2n7t 1 . 1 . 45 . 1 1 4 TRP CH2 C 0.246 8.192 5.291 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CH2 . . . . . . . . . c25820_2n7t 1 . 1 . 46 . 1 1 4 TRP CZ2 C 0.897 8.897 4.275 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CZ2 . . . . . . . . . c25820_2n7t 1 . 1 . 47 . 1 1 4 TRP CZ3 C 0.374 6.803 5.404 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CZ3 . . . . . . . . . c25820_2n7t 1 . 1 . 48 . 1 1 4 TRP H H 3.208 2.411 1.456 . . . 1.0 . . . . . . . . . . . . A . 6 TRP H . . . . . . . . . c25820_2n7t 1 . 1 . 49 . 1 1 4 TRP HA H 0.979 4.187 1.509 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HA . . . . . . . . . c25820_2n7t 1 . 1 . 50 . 1 1 4 TRP HB2 H 3.039 4.285 2.953 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HB2 . . . . . . . . . c25820_2n7t 1 . 1 . 51 . 1 1 4 TRP HB3 H 3.985 4.869 1.598 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HB3 . . . . . . . . . c25820_2n7t 1 . 1 . 52 . 1 1 4 TRP HD1 H 3.483 7.474 0.748 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HD1 . . . . . . . . . c25820_2n7t 1 . 1 . 53 . 1 1 4 TRP HE1 H 2.450 9.615 1.917 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HE1 . . . . . . . . . c25820_2n7t 1 . 1 . 54 . 1 1 4 TRP HE3 H 1.239 5.002 4.596 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HE3 . . . . . . . . . c25820_2n7t 1 . 1 . 55 . 1 1 4 TRP HH2 H -0.372 8.729 5.998 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HH2 . . . . . . . . . c25820_2n7t 1 . 1 . 56 . 1 1 4 TRP HZ2 H 0.783 9.968 4.187 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HZ2 . . . . . . . . . c25820_2n7t 1 . 1 . 57 . 1 1 4 TRP HZ3 H -0.145 6.287 6.198 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HZ3 . . . . . . . . . c25820_2n7t 1 . 1 . 58 . 1 1 4 TRP N N 2.399 2.764 0.936 . . . 1.0 . . . . . . . . . . . . A . 6 TRP N . . . . . . . . . c25820_2n7t 1 . 1 . 59 . 1 1 4 TRP NE1 N 2.392 8.648 2.256 . . . 1.0 . . . . . . . . . . . . A . 6 TRP NE1 . . . . . . . . . c25820_2n7t 1 . 1 . 60 . 1 1 4 TRP O O 2.838 4.837 -1.139 . . . 1.0 . . . . . . . . . . . . A . 6 TRP O . . . . . . . . . c25820_2n7t 1 . 1 . 61 . 1 1 5 PRO C C -1.522 5.197 0.483 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c25820_2n7t 1 . 1 . 62 . 1 1 5 PRO CA C -0.285 6.135 0.238 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c25820_2n7t 1 . 1 . 63 . 1 1 5 PRO CB C -0.660 7.500 -0.373 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c25820_2n7t 1 . 1 . 64 . 1 1 5 PRO CD C 0.774 6.460 -1.986 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c25820_2n7t 1 . 1 . 65 . 1 1 5 PRO CG C -0.480 7.326 -1.882 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c25820_2n7t 1 . 1 . 66 . 1 1 5 PRO HA H 0.119 6.341 1.243 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c25820_2n7t 1 . 1 . 67 . 1 1 5 PRO HB2 H -1.675 7.843 -0.098 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB2 . . . . . . . . . c25820_2n7t 1 . 1 . 68 . 1 1 5 PRO HB3 H 0.031 8.281 0.003 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c25820_2n7t 1 . 1 . 69 . 1 1 5 PRO HD2 H 0.735 5.782 -2.859 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD2 . . . . . . . . . c25820_2n7t 1 . 1 . 70 . 1 1 5 PRO HD3 H 1.680 7.090 -2.094 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c25820_2n7t 1 . 1 . 71 . 1 1 5 PRO HG2 H -1.352 6.797 -2.315 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG2 . . . . . . . . . c25820_2n7t 1 . 1 . 72 . 1 1 5 PRO HG3 H -0.380 8.289 -2.417 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c25820_2n7t 1 . 1 . 73 . 1 1 5 PRO N N 0.805 5.717 -0.707 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c25820_2n7t 1 . 1 . 74 . 1 1 5 PRO O O -2.486 5.628 1.118 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c25820_2n7t 1 . 1 . 75 . 1 1 6 . C C -2.996 2.132 -0.936 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 C . . . . . . . . . c25820_2n7t 1 . 1 . 76 . 1 1 6 . CA C -2.541 2.913 0.339 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 CA . . . . . . . . . c25820_2n7t 1 . 1 . 77 . 1 1 6 . CB C -2.045 1.893 1.415 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 CB . . . . . . . . . c25820_2n7t 1 . 1 . 78 . 1 1 6 . CD1 C -2.637 3.079 3.579 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 CD1 . . . . . . . . . c25820_2n7t 1 . 1 . 79 . 1 1 6 . CD2 C -0.441 2.102 3.369 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 CD2 . . . . . . . . . c25820_2n7t 1 . 1 . 80 . 1 1 6 . CE1 C -2.355 3.482 4.880 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 CE1 . . . . . . . . . c25820_2n7t 1 . 1 . 81 . 1 1 6 . CE2 C -0.136 2.474 4.675 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 CE2 . . . . . . . . . c25820_2n7t 1 . 1 . 82 . 1 1 6 . CE3 C 1.095 2.153 5.250 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 CE3 . . . . . . . . . c25820_2n7t 1 . 1 . 83 . 1 1 6 . CE4 C 1.369 2.525 6.562 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 CE4 . . . . . . . . . c25820_2n7t 1 . 1 . 84 . 1 1 6 . CG C -1.688 2.401 2.818 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 CG . . . . . . . . . c25820_2n7t 1 . 1 . 85 . 1 1 6 . CZ1 C -1.116 3.184 5.451 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 CZ1 . . . . . . . . . c25820_2n7t 1 . 1 . 86 . 1 1 6 . CZ2 C -0.816 3.538 6.767 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 CZ2 . . . . . . . . . c25820_2n7t 1 . 1 . 87 . 1 1 6 . CZ3 C 0.421 3.213 7.315 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 CZ3 . . . . . . . . . c25820_2n7t 1 . 1 . 88 . 1 1 6 . H H -0.583 3.663 -0.374 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 H . . . . . . . . . c25820_2n7t 1 . 1 . 89 . 1 1 6 . HA H -3.454 3.407 0.725 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 HA . . . . . . . . . c25820_2n7t 1 . 1 . 90 . 1 1 6 . HB1 H -1.190 1.328 1.001 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 HB1 . . . . . . . . . c25820_2n7t 1 . 1 . 91 . 1 1 6 . HB2 H -2.815 1.114 1.540 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 HB2 . . . . . . . . . c25820_2n7t 1 . 1 . 92 . 1 1 6 . HD1 H -3.604 3.270 3.140 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 HD1 . . . . . . . . . c25820_2n7t 1 . 1 . 93 . 1 1 6 . HD2 H 0.275 1.547 2.782 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 HD2 . . . . . . . . . c25820_2n7t 1 . 1 . 94 . 1 1 6 . HE1 H -3.115 4.008 5.441 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 HE1 . . . . . . . . . c25820_2n7t 1 . 1 . 95 . 1 1 6 . HE3 H 1.844 1.607 4.692 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 HE3 . . . . . . . . . c25820_2n7t 1 . 1 . 96 . 1 1 6 . HE4 H 2.323 2.274 7.002 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 HE4 . . . . . . . . . c25820_2n7t 1 . 1 . 97 . 1 1 6 . HZ2 H -1.535 4.068 7.378 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 HZ2 . . . . . . . . . c25820_2n7t 1 . 1 . 98 . 1 1 6 . HZ23 H 0.647 3.493 8.334 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 HZ23 . . . . . . . . . c25820_2n7t 1 . 1 . 99 . 1 1 6 . N N -1.483 3.928 0.048 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 N . . . . . . . . . c25820_2n7t 1 . 1 . 100 . 1 1 6 . O O -4.192 2.034 -1.217 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 O . . . . . . . . . c25820_2n7t 1 . 1 . 101 . 1 1 7 ARG C C -1.972 -0.983 -1.882 . . . 1.0 . . . . . . . . . . . . A . 9 ARG C . . . . . . . . . c25820_2n7t 1 . 1 . 102 . 1 1 7 ARG CA C -2.296 0.379 -2.571 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CA . . . . . . . . . c25820_2n7t 1 . 1 . 103 . 1 1 7 ARG CB C -1.454 0.600 -3.856 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CB . . . . . . . . . c25820_2n7t 1 . 1 . 104 . 1 1 7 ARG CD C 0.856 1.072 -4.950 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CD . . . . . . . . . c25820_2n7t 1 . 1 . 105 . 1 1 7 ARG CG C 0.091 0.571 -3.712 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CG . . . . . . . . . c25820_2n7t 1 . 1 . 106 . 1 1 7 ARG CZ C 2.907 2.159 -3.988 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CZ . . . . . . . . . c25820_2n7t 1 . 1 . 107 . 1 1 7 ARG H H -1.112 1.604 -1.218 . . . 1.0 . . . . . . . . . . . . A . 9 ARG H . . . . . . . . . c25820_2n7t 1 . 1 . 108 . 1 1 7 ARG HA H -3.363 0.386 -2.877 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HA . . . . . . . . . c25820_2n7t 1 . 1 . 109 . 1 1 7 ARG HB2 H -1.743 -0.168 -4.587 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HB2 . . . . . . . . . c25820_2n7t 1 . 1 . 110 . 1 1 7 ARG HB3 H -1.784 1.547 -4.315 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HB3 . . . . . . . . . c25820_2n7t 1 . 1 . 111 . 1 1 7 ARG HD2 H 0.706 0.372 -5.795 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HD2 . . . . . . . . . c25820_2n7t 1 . 1 . 112 . 1 1 7 ARG HD3 H 0.461 2.043 -5.310 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HD3 . . . . . . . . . c25820_2n7t 1 . 1 . 113 . 1 1 7 ARG HG2 H 0.386 1.179 -2.836 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HG2 . . . . . . . . . c25820_2n7t 1 . 1 . 114 . 1 1 7 ARG HG3 H 0.429 -0.454 -3.466 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HG3 . . . . . . . . . c25820_2n7t 1 . 1 . 115 . 1 1 7 ARG HH11 H 1.264 3.137 -3.639 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH11 . . . . . . . . . c25820_2n7t 1 . 1 . 116 . 1 1 7 ARG HH12 H 2.796 3.829 -2.887 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH12 . . . . . . . . . c25820_2n7t 1 . 1 . 117 . 1 1 7 ARG HH21 H 4.594 1.245 -4.226 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH21 . . . . . . . . . c25820_2n7t 1 . 1 . 118 . 1 1 7 ARG HH22 H 4.634 2.843 -3.295 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH22 . . . . . . . . . c25820_2n7t 1 . 1 . 119 . 1 1 7 ARG N N -2.041 1.501 -1.640 . . . 1.0 . . . . . . . . . . . . A . 9 ARG N . . . . . . . . . c25820_2n7t 1 . 1 . 120 . 1 1 7 ARG NE N 2.313 1.169 -4.659 . . . 1.0 . . . . . . . . . . . . A . 9 ARG NE . . . . . . . . . c25820_2n7t 1 . 1 . 121 . 1 1 7 ARG NH1 N 2.273 3.189 -3.495 . . . 1.0 . . . . . . . . . . . . A . 9 ARG NH1 . . . . . . . . . c25820_2n7t 1 . 1 . 122 . 1 1 7 ARG NH2 N 4.184 2.081 -3.804 . . . 1.0 . . . . . . . . . . . . A . 9 ARG NH2 . . . . . . . . . c25820_2n7t 1 . 1 . 123 . 1 1 7 ARG O O -1.003 -1.109 -1.123 . . . 1.0 . . . . . . . . . . . . A . 9 ARG O . . . . . . . . . c25820_2n7t 1 . 1 . 124 . 1 1 8 TRP C C -1.660 -4.154 -2.854 . . . 1.0 . . . . . . . . . . . . A . 10 TRP C . . . . . . . . . c25820_2n7t 1 . 1 . 125 . 1 1 8 TRP CA C -2.469 -3.402 -1.752 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CA . . . . . . . . . c25820_2n7t 1 . 1 . 126 . 1 1 8 TRP CB C -3.810 -4.082 -1.399 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CB . . . . . . . . . c25820_2n7t 1 . 1 . 127 . 1 1 8 TRP CD1 C -3.703 -6.669 -1.443 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CD1 . . . . . . . . . c25820_2n7t 1 . 1 . 128 . 1 1 8 TRP CD2 C -3.374 -5.775 0.561 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CD2 . . . . . . . . . c25820_2n7t 1 . 1 . 129 . 1 1 8 TRP CE2 C -3.263 -7.184 0.652 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CE2 . . . . . . . . . c25820_2n7t 1 . 1 . 130 . 1 1 8 TRP CE3 C -3.196 -4.961 1.704 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CE3 . . . . . . . . . c25820_2n7t 1 . 1 . 131 . 1 1 8 TRP CG C -3.650 -5.454 -0.749 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CG . . . . . . . . . c25820_2n7t 1 . 1 . 132 . 1 1 8 TRP CH2 C -2.819 -6.975 3.022 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CH2 . . . . . . . . . c25820_2n7t 1 . 1 . 133 . 1 1 8 TRP CZ2 C -2.980 -7.792 1.898 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CZ2 . . . . . . . . . c25820_2n7t 1 . 1 . 134 . 1 1 8 TRP CZ3 C -2.924 -5.580 2.925 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CZ3 . . . . . . . . . c25820_2n7t 1 . 1 . 135 . 1 1 8 TRP H H -3.418 -1.824 -2.958 . . . 1.0 . . . . . . . . . . . . A . 10 TRP H . . . . . . . . . c25820_2n7t 1 . 1 . 136 . 1 1 8 TRP HA H -1.883 -3.373 -0.810 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HA . . . . . . . . . c25820_2n7t 1 . 1 . 137 . 1 1 8 TRP HB2 H -4.387 -3.450 -0.707 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HB2 . . . . . . . . . c25820_2n7t 1 . 1 . 138 . 1 1 8 TRP HB3 H -4.438 -4.170 -2.303 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HB3 . . . . . . . . . c25820_2n7t 1 . 1 . 139 . 1 1 8 TRP HD1 H -3.881 -6.698 -2.507 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HD1 . . . . . . . . . c25820_2n7t 1 . 1 . 140 . 1 1 8 TRP HE1 H -3.461 -8.767 -0.825 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HE1 . . . . . . . . . c25820_2n7t 1 . 1 . 141 . 1 1 8 TRP HE3 H -3.259 -3.885 1.616 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HE3 . . . . . . . . . c25820_2n7t 1 . 1 . 142 . 1 1 8 TRP HH2 H -2.605 -7.427 3.980 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HH2 . . . . . . . . . c25820_2n7t 1 . 1 . 143 . 1 1 8 TRP HZ2 H -2.895 -8.865 1.980 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HZ2 . . . . . . . . . c25820_2n7t 1 . 1 . 144 . 1 1 8 TRP HZ3 H -2.786 -4.973 3.808 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HZ3 . . . . . . . . . c25820_2n7t 1 . 1 . 145 . 1 1 8 TRP N N -2.762 -2.015 -2.195 . . . 1.0 . . . . . . . . . . . . A . 10 TRP N . . . . . . . . . c25820_2n7t 1 . 1 . 146 . 1 1 8 TRP NE1 N -3.459 -7.768 -0.593 . . . 1.0 . . . . . . . . . . . . A . 10 TRP NE1 . . . . . . . . . c25820_2n7t 1 . 1 . 147 . 1 1 8 TRP O O -2.142 -4.365 -3.971 . . . 1.0 . . . . . . . . . . . . A . 10 TRP O . . . . . . . . . c25820_2n7t 1 . 1 . 148 . 1 1 9 LYS C C 0.318 -6.767 -3.698 . . . 1.0 . . . . . . . . . . . . A . 11 LYS C . . . . . . . . . c25820_2n7t 1 . 1 . 149 . 1 1 9 LYS CA C 0.497 -5.226 -3.473 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CA . . . . . . . . . c25820_2n7t 1 . 1 . 150 . 1 1 9 LYS CB C 1.941 -4.773 -3.131 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CB . . . . . . . . . c25820_2n7t 1 . 1 . 151 . 1 1 9 LYS CD C 4.005 -4.851 -1.561 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CD . . . . . . . . . c25820_2n7t 1 . 1 . 152 . 1 1 9 LYS CE C 3.946 -3.865 -0.376 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CE . . . . . . . . . c25820_2n7t 1 . 1 . 153 . 1 1 9 LYS CG C 2.664 -5.503 -1.975 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CG . . . . . . . . . c25820_2n7t 1 . 1 . 154 . 1 1 9 LYS H H -0.146 -4.289 -1.558 . . . 1.0 . . . . . . . . . . . . A . 11 LYS H . . . . . . . . . c25820_2n7t 1 . 1 . 155 . 1 1 9 LYS HA H 0.308 -4.790 -4.472 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HA . . . . . . . . . c25820_2n7t 1 . 1 . 156 . 1 1 9 LYS HB2 H 2.556 -4.891 -4.039 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB2 . . . . . . . . . c25820_2n7t 1 . 1 . 157 . 1 1 9 LYS HB3 H 1.949 -3.680 -2.950 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB3 . . . . . . . . . c25820_2n7t 1 . 1 . 158 . 1 1 9 LYS HD2 H 4.698 -5.664 -1.271 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD2 . . . . . . . . . c25820_2n7t 1 . 1 . 159 . 1 1 9 LYS HD3 H 4.500 -4.373 -2.430 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD3 . . . . . . . . . c25820_2n7t 1 . 1 . 160 . 1 1 9 LYS HE2 H 3.482 -4.366 0.495 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE2 . . . . . . . . . c25820_2n7t 1 . 1 . 161 . 1 1 9 LYS HE3 H 4.980 -3.640 -0.045 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE3 . . . . . . . . . c25820_2n7t 1 . 1 . 162 . 1 1 9 LYS HG2 H 1.993 -5.594 -1.102 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG2 . . . . . . . . . c25820_2n7t 1 . 1 . 163 . 1 1 9 LYS HG3 H 2.853 -6.546 -2.295 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG3 . . . . . . . . . c25820_2n7t 1 . 1 . 164 . 1 1 9 LYS HZ1 H 2.160 -2.618 -0.701 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ1 . . . . . . . . . c25820_2n7t 1 . 1 . 165 . 1 1 9 LYS N N -0.434 -4.565 -2.511 . . . 1.0 . . . . . . . . . . . . A . 11 LYS N . . . . . . . . . c25820_2n7t 1 . 1 . 166 . 1 1 9 LYS NZ N 3.186 -2.629 -0.674 . . . 1.0 . . . . . . . . . . . . A . 11 LYS NZ . . . . . . . . . c25820_2n7t 1 . 1 . 167 . 1 1 9 LYS O O 0.616 -7.286 -4.770 . . . 1.0 . . . . . . . . . . . . A . 11 LYS O . . . . . . . . . c25820_2n7t 1 . 1 . 168 . 1 1 10 NH2 HN1 H -0.533 -7.108 -1.925 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 HN1 . . . . . . . . . c25820_2n7t 1 . 1 . 169 . 1 1 10 NH2 HN2 H -0.276 -8.534 -3.063 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 HN2 . . . . . . . . . c25820_2n7t 1 . 1 . 170 . 1 1 10 NH2 N N -0.141 -7.568 -2.752 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 N . . . . . . . . . c25820_2n7t 1 . 2 . 171 . 1 1 1 ACE C C 0.141 -4.605 1.801 . . . 1.0 . . . . . . . . . . . . A . 3 ACE C . . . . . . . . . c25820_2n7t 1 . 2 . 172 . 1 1 1 ACE CH3 C 0.647 -5.868 2.467 . . . 1.0 . . . . . . . . . . . . A . 3 ACE CH3 . . . . . . . . . c25820_2n7t 1 . 2 . 173 . 1 1 1 ACE H1 H 0.543 -6.731 1.786 . . . 1.0 . . . . . . . . . . . . A . 3 ACE H1 . . . . . . . . . c25820_2n7t 1 . 2 . 174 . 1 1 1 ACE H2 H 1.716 -5.783 2.736 . . . 1.0 . . . . . . . . . . . . A . 3 ACE H2 . . . . . . . . . c25820_2n7t 1 . 2 . 175 . 1 1 1 ACE H3 H 0.071 -6.102 3.381 . . . 1.0 . . . . . . . . . . . . A . 3 ACE H3 . . . . . . . . . c25820_2n7t 1 . 2 . 176 . 1 1 1 ACE O O -0.286 -4.632 0.648 . . . 1.0 . . . . . . . . . . . . A . 3 ACE O . . . . . . . . . c25820_2n7t 1 . 2 . 177 . 1 1 2 NLE C C 0.928 -1.229 1.818 . . . 1.0 . . . . . . . . . . . . A . 4 NLE C . . . . . . . . . c25820_2n7t 1 . 2 . 178 . 1 1 2 NLE CA C -0.288 -2.178 2.069 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CA . . . . . . . . . c25820_2n7t 1 . 2 . 179 . 1 1 2 NLE CB C -1.255 -1.555 3.106 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CB . . . . . . . . . c25820_2n7t 1 . 2 . 180 . 1 1 2 NLE CD C -3.391 -1.714 4.577 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CD . . . . . . . . . c25820_2n7t 1 . 2 . 181 . 1 1 2 NLE CE C -4.084 -0.394 4.209 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CE . . . . . . . . . c25820_2n7t 1 . 2 . 182 . 1 1 2 NLE CG C -2.548 -2.332 3.447 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CG . . . . . . . . . c25820_2n7t 1 . 2 . 183 . 1 1 2 NLE H H 0.535 -3.633 3.501 . . . 1.0 . . . . . . . . . . . . A . 4 NLE H . . . . . . . . . c25820_2n7t 1 . 2 . 184 . 1 1 2 NLE HA H -0.870 -2.293 1.130 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HA . . . . . . . . . c25820_2n7t 1 . 2 . 185 . 1 1 2 NLE HB2 H -1.569 -0.575 2.720 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HB2 . . . . . . . . . c25820_2n7t 1 . 2 . 186 . 1 1 2 NLE HB3 H -0.692 -1.328 4.025 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HB3 . . . . . . . . . c25820_2n7t 1 . 2 . 187 . 1 1 2 NLE HD2 H -2.766 -1.570 5.480 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HD2 . . . . . . . . . c25820_2n7t 1 . 2 . 188 . 1 1 2 NLE HD3 H -4.166 -2.444 4.878 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HD3 . . . . . . . . . c25820_2n7t 1 . 2 . 189 . 1 1 2 NLE HE1 H -3.353 0.411 4.022 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HE1 . . . . . . . . . c25820_2n7t 1 . 2 . 190 . 1 1 2 NLE HE2 H -4.712 -0.493 3.304 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HE2 . . . . . . . . . c25820_2n7t 1 . 2 . 191 . 1 1 2 NLE HE3 H -4.741 -0.043 5.027 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HE3 . . . . . . . . . c25820_2n7t 1 . 2 . 192 . 1 1 2 NLE HG2 H -2.275 -3.359 3.753 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HG2 . . . . . . . . . c25820_2n7t 1 . 2 . 193 . 1 1 2 NLE HG3 H -3.169 -2.449 2.539 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HG3 . . . . . . . . . c25820_2n7t 1 . 2 . 194 . 1 1 2 NLE N N 0.190 -3.503 2.548 . . . 1.0 . . . . . . . . . . . . A . 4 NLE N . . . . . . . . . c25820_2n7t 1 . 2 . 195 . 1 1 2 NLE O O 1.707 -0.922 2.727 . . . 1.0 . . . . . . . . . . . . A . 4 NLE O . . . . . . . . . c25820_2n7t 1 . 2 . 196 . 1 1 3 ASP C C 1.608 1.686 0.167 . . . 1.0 . . . . . . . . . . . . A . 5 ASP C . . . . . . . . . c25820_2n7t 1 . 2 . 197 . 1 1 3 ASP CA C 2.131 0.214 0.176 . . . 1.0 . . . . . . . . . . . . A . 5 ASP CA . . . . . . . . . c25820_2n7t 1 . 2 . 198 . 1 1 3 ASP CB C 2.653 -0.205 -1.227 . . . 1.0 . . . . . . . . . . . . A . 5 ASP CB . . . . . . . . . c25820_2n7t 1 . 2 . 199 . 1 1 3 ASP CG C 3.756 -1.273 -1.208 . . . 1.0 . . . . . . . . . . . . A . 5 ASP CG . . . . . . . . . c25820_2n7t 1 . 2 . 200 . 1 1 3 ASP H H 0.242 -0.924 -0.022 . . . 1.0 . . . . . . . . . . . . A . 5 ASP H . . . . . . . . . c25820_2n7t 1 . 2 . 201 . 1 1 3 ASP HA H 2.979 0.152 0.892 . . . 1.0 . . . . . . . . . . . . A . 5 ASP HA . . . . . . . . . c25820_2n7t 1 . 2 . 202 . 1 1 3 ASP HB2 H 1.816 -0.482 -1.897 . . . 1.0 . . . . . . . . . . . . A . 5 ASP HB2 . . . . . . . . . c25820_2n7t 1 . 2 . 203 . 1 1 3 ASP HB3 H 3.109 0.669 -1.726 . . . 1.0 . . . . . . . . . . . . A . 5 ASP HB3 . . . . . . . . . c25820_2n7t 1 . 2 . 204 . 1 1 3 ASP N N 1.059 -0.738 0.580 . . . 1.0 . . . . . . . . . . . . A . 5 ASP N . . . . . . . . . c25820_2n7t 1 . 2 . 205 . 1 1 3 ASP O O 0.574 1.985 -0.441 . . . 1.0 . . . . . . . . . . . . A . 5 ASP O . . . . . . . . . c25820_2n7t 1 . 2 . 206 . 1 1 3 ASP OD1 O 4.806 -1.046 -0.605 . . . 1.0 . . . . . . . . . . . . A . 5 ASP OD1 . . . . . . . . . c25820_2n7t 1 . 2 . 207 . 1 1 4 TRP C C 1.855 4.767 -0.512 . . . 1.0 . . . . . . . . . . . . A . 6 TRP C . . . . . . . . . c25820_2n7t 1 . 2 . 208 . 1 1 4 TRP CA C 1.990 4.055 0.895 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CA . . . . . . . . . c25820_2n7t 1 . 2 . 209 . 1 1 4 TRP CB C 3.069 4.718 1.803 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CB . . . . . . . . . c25820_2n7t 1 . 2 . 210 . 1 1 4 TRP CD1 C 3.127 7.319 1.450 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CD1 . . . . . . . . . c25820_2n7t 1 . 2 . 211 . 1 1 4 TRP CD2 C 2.085 6.650 3.299 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CD2 . . . . . . . . . c25820_2n7t 1 . 2 . 212 . 1 1 4 TRP CE2 C 1.998 8.062 3.185 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CE2 . . . . . . . . . c25820_2n7t 1 . 2 . 213 . 1 1 4 TRP CE3 C 1.446 5.978 4.371 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CE3 . . . . . . . . . c25820_2n7t 1 . 2 . 214 . 1 1 4 TRP CG C 2.792 6.174 2.208 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CG . . . . . . . . . c25820_2n7t 1 . 2 . 215 . 1 1 4 TRP CH2 C 0.652 8.130 5.192 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CH2 . . . . . . . . . c25820_2n7t 1 . 2 . 216 . 1 1 4 TRP CZ2 C 1.271 8.809 4.140 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CZ2 . . . . . . . . . c25820_2n7t 1 . 2 . 217 . 1 1 4 TRP CZ3 C 0.739 6.738 5.306 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CZ3 . . . . . . . . . c25820_2n7t 1 . 2 . 218 . 1 1 4 TRP H H 3.217 2.246 1.222 . . . 1.0 . . . . . . . . . . . . A . 6 TRP H . . . . . . . . . c25820_2n7t 1 . 2 . 219 . 1 1 4 TRP HA H 1.025 4.111 1.432 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HA . . . . . . . . . c25820_2n7t 1 . 2 . 220 . 1 1 4 TRP HB2 H 3.195 4.130 2.733 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HB2 . . . . . . . . . c25820_2n7t 1 . 2 . 221 . 1 1 4 TRP HB3 H 4.059 4.667 1.306 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HB3 . . . . . . . . . c25820_2n7t 1 . 2 . 222 . 1 1 4 TRP HD1 H 3.609 7.285 0.483 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HD1 . . . . . . . . . c25820_2n7t 1 . 2 . 223 . 1 1 4 TRP HE1 H 2.714 9.464 1.694 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HE1 . . . . . . . . . c25820_2n7t 1 . 2 . 224 . 1 1 4 TRP HE3 H 1.496 4.904 4.462 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HE3 . . . . . . . . . c25820_2n7t 1 . 2 . 225 . 1 1 4 TRP HH2 H 0.093 8.690 5.928 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HH2 . . . . . . . . . c25820_2n7t 1 . 2 . 226 . 1 1 4 TRP HZ2 H 1.188 9.882 4.051 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HZ2 . . . . . . . . . c25820_2n7t 1 . 2 . 227 . 1 1 4 TRP HZ3 H 0.246 6.242 6.129 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HZ3 . . . . . . . . . c25820_2n7t 1 . 2 . 228 . 1 1 4 TRP N N 2.349 2.606 0.814 . . . 1.0 . . . . . . . . . . . . A . 6 TRP N . . . . . . . . . c25820_2n7t 1 . 2 . 229 . 1 1 4 TRP NE1 N 2.644 8.502 2.042 . . . 1.0 . . . . . . . . . . . . A . 6 TRP NE1 . . . . . . . . . c25820_2n7t 1 . 2 . 230 . 1 1 4 TRP O O 2.736 4.552 -1.354 . . . 1.0 . . . . . . . . . . . . A . 6 TRP O . . . . . . . . . c25820_2n7t 1 . 2 . 231 . 1 1 5 PRO C C -1.448 5.256 0.544 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c25820_2n7t 1 . 2 . 232 . 1 1 5 PRO CA C -0.194 6.121 0.159 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c25820_2n7t 1 . 2 . 233 . 1 1 5 PRO CB C -0.563 7.452 -0.526 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c25820_2n7t 1 . 2 . 234 . 1 1 5 PRO CD C 0.708 6.233 -2.156 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c25820_2n7t 1 . 2 . 235 . 1 1 5 PRO CG C -0.499 7.161 -2.027 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c25820_2n7t 1 . 2 . 236 . 1 1 5 PRO HA H 0.287 6.374 1.118 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c25820_2n7t 1 . 2 . 237 . 1 1 5 PRO HB2 H -1.543 7.855 -0.208 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB2 . . . . . . . . . c25820_2n7t 1 . 2 . 238 . 1 1 5 PRO HB3 H 0.182 8.228 -0.259 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c25820_2n7t 1 . 2 . 239 . 1 1 5 PRO HD2 H 0.574 5.484 -2.962 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD2 . . . . . . . . . c25820_2n7t 1 . 2 . 240 . 1 1 5 PRO HD3 H 1.628 6.807 -2.385 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c25820_2n7t 1 . 2 . 241 . 1 1 5 PRO HG2 H -1.419 6.642 -2.358 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG2 . . . . . . . . . c25820_2n7t 1 . 2 . 242 . 1 1 5 PRO HG3 H -0.401 8.077 -2.639 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c25820_2n7t 1 . 2 . 243 . 1 1 5 PRO N N 0.810 5.595 -0.826 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c25820_2n7t 1 . 2 . 244 . 1 1 5 PRO O O -2.323 5.741 1.266 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c25820_2n7t 1 . 2 . 245 . 1 1 6 . C C -3.135 2.264 -0.791 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 C . . . . . . . . . c25820_2n7t 1 . 2 . 246 . 1 1 6 . CA C -2.608 3.035 0.464 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 CA . . . . . . . . . c25820_2n7t 1 . 2 . 247 . 1 1 6 . CB C -2.116 2.001 1.526 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 CB . . . . . . . . . c25820_2n7t 1 . 2 . 248 . 1 1 6 . CD1 C -2.464 3.249 3.710 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 CD1 . . . . . . . . . c25820_2n7t 1 . 2 . 249 . 1 1 6 . CD2 C -0.379 2.081 3.372 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 CD2 . . . . . . . . . c25820_2n7t 1 . 2 . 250 . 1 1 6 . CE1 C -2.076 3.606 4.999 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 CE1 . . . . . . . . . c25820_2n7t 1 . 2 . 251 . 1 1 6 . CE2 C 0.033 2.414 4.660 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 CE2 . . . . . . . . . c25820_2n7t 1 . 2 . 252 . 1 1 6 . CE3 C 1.271 2.000 5.153 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 CE3 . . . . . . . . . c25820_2n7t 1 . 2 . 253 . 1 1 6 . CE4 C 1.657 2.346 6.443 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 CE4 . . . . . . . . . c25820_2n7t 1 . 2 . 254 . 1 1 6 . CG C -1.625 2.491 2.896 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 CG . . . . . . . . . c25820_2n7t 1 . 2 . 255 . 1 1 6 . CZ1 C -0.840 3.192 5.496 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 CZ1 . . . . . . . . . c25820_2n7t 1 . 2 . 256 . 1 1 6 . CZ2 C -0.430 3.516 6.791 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 CZ2 . . . . . . . . . c25820_2n7t 1 . 2 . 257 . 1 1 6 . CZ3 C 0.814 3.098 7.257 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 CZ3 . . . . . . . . . c25820_2n7t 1 . 2 . 258 . 1 1 6 . H H -0.677 3.687 -0.399 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 H . . . . . . . . . c25820_2n7t 1 . 2 . 259 . 1 1 6 . HA H -3.480 3.579 0.879 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 HA . . . . . . . . . c25820_2n7t 1 . 2 . 260 . 1 1 6 . HB1 H -1.335 1.365 1.070 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 HB1 . . . . . . . . . c25820_2n7t 1 . 2 . 261 . 1 1 6 . HB2 H -2.931 1.283 1.710 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 HB2 . . . . . . . . . c25820_2n7t 1 . 2 . 262 . 1 1 6 . HD1 H -3.427 3.543 3.325 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 HD1 . . . . . . . . . c25820_2n7t 1 . 2 . 263 . 1 1 6 . HD2 H 0.252 1.473 2.741 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 HD2 . . . . . . . . . c25820_2n7t 1 . 2 . 264 . 1 1 6 . HE1 H -2.753 4.194 5.604 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 HE1 . . . . . . . . . c25820_2n7t 1 . 2 . 265 . 1 1 6 . HE3 H 1.942 1.407 4.545 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 HE3 . . . . . . . . . c25820_2n7t 1 . 2 . 266 . 1 1 6 . HE4 H 2.618 2.024 6.819 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 HE4 . . . . . . . . . c25820_2n7t 1 . 2 . 267 . 1 1 6 . HZ2 H -1.065 4.097 7.445 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 HZ2 . . . . . . . . . c25820_2n7t 1 . 2 . 268 . 1 1 6 . HZ23 H 1.126 3.356 8.259 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 HZ23 . . . . . . . . . c25820_2n7t 1 . 2 . 269 . 1 1 6 . N N -1.516 3.991 0.112 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 N . . . . . . . . . c25820_2n7t 1 . 2 . 270 . 1 1 6 . O O -4.341 2.211 -1.038 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 O . . . . . . . . . c25820_2n7t 1 . 2 . 271 . 1 1 7 ARG C C -2.094 -0.851 -1.943 . . . 1.0 . . . . . . . . . . . . A . 9 ARG C . . . . . . . . . c25820_2n7t 1 . 2 . 272 . 1 1 7 ARG CA C -2.520 0.544 -2.501 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CA . . . . . . . . . c25820_2n7t 1 . 2 . 273 . 1 1 7 ARG CB C -1.812 0.911 -3.832 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CB . . . . . . . . . c25820_2n7t 1 . 2 . 274 . 1 1 7 ARG CD C 0.343 1.501 -5.178 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CD . . . . . . . . . c25820_2n7t 1 . 2 . 275 . 1 1 7 ARG CG C -0.259 1.004 -3.848 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CG . . . . . . . . . c25820_2n7t 1 . 2 . 276 . 1 1 7 ARG CZ C -0.649 3.630 -6.084 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CZ . . . . . . . . . c25820_2n7t 1 . 2 . 277 . 1 1 7 ARG H H -1.274 1.671 -1.126 . . . 1.0 . . . . . . . . . . . . A . 9 ARG H . . . . . . . . . c25820_2n7t 1 . 2 . 278 . 1 1 7 ARG HA H -3.611 0.519 -2.703 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HA . . . . . . . . . c25820_2n7t 1 . 2 . 279 . 1 1 7 ARG HB2 H -2.118 0.174 -4.585 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HB2 . . . . . . . . . c25820_2n7t 1 . 2 . 280 . 1 1 7 ARG HB3 H -2.245 1.862 -4.189 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HB3 . . . . . . . . . c25820_2n7t 1 . 2 . 281 . 1 1 7 ARG HD2 H 1.422 1.256 -5.186 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HD2 . . . . . . . . . c25820_2n7t 1 . 2 . 282 . 1 1 7 ARG HD3 H -0.065 0.943 -6.043 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HD3 . . . . . . . . . c25820_2n7t 1 . 2 . 283 . 1 1 7 ARG HG2 H 0.101 1.656 -3.028 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HG2 . . . . . . . . . c25820_2n7t 1 . 2 . 284 . 1 1 7 ARG HG3 H 0.159 0.005 -3.618 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HG3 . . . . . . . . . c25820_2n7t 1 . 2 . 285 . 1 1 7 ARG HH11 H -1.574 2.038 -6.745 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH11 . . . . . . . . . c25820_2n7t 1 . 2 . 286 . 1 1 7 ARG HH12 H -2.189 3.667 -7.347 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH12 . . . . . . . . . c25820_2n7t 1 . 2 . 287 . 1 1 7 ARG HH21 H 0.192 5.271 -5.520 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH21 . . . . . . . . . c25820_2n7t 1 . 2 . 288 . 1 1 7 ARG HH22 H -1.237 5.433 -6.681 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH22 . . . . . . . . . c25820_2n7t 1 . 2 . 289 . 1 1 7 ARG N N -2.219 1.604 -1.518 . . . 1.0 . . . . . . . . . . . . A . 9 ARG N . . . . . . . . . c25820_2n7t 1 . 2 . 290 . 1 1 7 ARG NE N 0.232 2.978 -5.326 . . . 1.0 . . . . . . . . . . . . A . 9 ARG NE . . . . . . . . . c25820_2n7t 1 . 2 . 291 . 1 1 7 ARG NH1 N -1.573 3.057 -6.809 . . . 1.0 . . . . . . . . . . . . A . 9 ARG NH1 . . . . . . . . . c25820_2n7t 1 . 2 . 292 . 1 1 7 ARG NH2 N -0.577 4.922 -6.096 . . . 1.0 . . . . . . . . . . . . A . 9 ARG NH2 . . . . . . . . . c25820_2n7t 1 . 2 . 293 . 1 1 7 ARG O O -1.156 -0.981 -1.146 . . . 1.0 . . . . . . . . . . . . A . 9 ARG O . . . . . . . . . c25820_2n7t 1 . 2 . 294 . 1 1 8 TRP C C -1.302 -3.914 -2.852 . . . 1.0 . . . . . . . . . . . . A . 10 TRP C . . . . . . . . . c25820_2n7t 1 . 2 . 295 . 1 1 8 TRP CA C -2.447 -3.300 -1.979 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CA . . . . . . . . . c25820_2n7t 1 . 2 . 296 . 1 1 8 TRP CB C -3.772 -4.102 -2.015 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CB . . . . . . . . . c25820_2n7t 1 . 2 . 297 . 1 1 8 TRP CD1 C -3.615 -6.677 -2.243 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CD1 . . . . . . . . . c25820_2n7t 1 . 2 . 298 . 1 1 8 TRP CD2 C -3.508 -5.937 -0.153 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CD2 . . . . . . . . . c25820_2n7t 1 . 2 . 299 . 1 1 8 TRP CE2 C -3.358 -7.345 -0.161 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CE2 . . . . . . . . . c25820_2n7t 1 . 2 . 300 . 1 1 8 TRP CE3 C -3.448 -5.210 1.061 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CE3 . . . . . . . . . c25820_2n7t 1 . 2 . 301 . 1 1 8 TRP CG C -3.663 -5.519 -1.458 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CG . . . . . . . . . c25820_2n7t 1 . 2 . 302 . 1 1 8 TRP CH2 C -3.096 -7.310 2.244 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CH2 . . . . . . . . . c25820_2n7t 1 . 2 . 303 . 1 1 8 TRP CZ2 C -3.147 -8.040 1.053 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CZ2 . . . . . . . . . c25820_2n7t 1 . 2 . 304 . 1 1 8 TRP CZ3 C -3.246 -5.916 2.247 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CZ3 . . . . . . . . . c25820_2n7t 1 . 2 . 305 . 1 1 8 TRP H H -3.404 -1.714 -3.174 . . . 1.0 . . . . . . . . . . . . A . 10 TRP H . . . . . . . . . c25820_2n7t 1 . 2 . 306 . 1 1 8 TRP HA H -2.118 -3.282 -0.918 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HA . . . . . . . . . c25820_2n7t 1 . 2 . 307 . 1 1 8 TRP HB2 H -4.554 -3.582 -1.435 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HB2 . . . . . . . . . c25820_2n7t 1 . 2 . 308 . 1 1 8 TRP HB3 H -4.163 -4.139 -3.047 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HB3 . . . . . . . . . c25820_2n7t 1 . 2 . 309 . 1 1 8 TRP HD1 H -3.682 -6.632 -3.320 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HD1 . . . . . . . . . c25820_2n7t 1 . 2 . 310 . 1 1 8 TRP HE1 H -3.372 -8.812 -1.765 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HE1 . . . . . . . . . c25820_2n7t 1 . 2 . 311 . 1 1 8 TRP HE3 H -3.529 -4.132 1.058 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HE3 . . . . . . . . . c25820_2n7t 1 . 2 . 312 . 1 1 8 TRP HH2 H -2.932 -7.829 3.178 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HH2 . . . . . . . . . c25820_2n7t 1 . 2 . 313 . 1 1 8 TRP HZ2 H -3.024 -9.113 1.058 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HZ2 . . . . . . . . . c25820_2n7t 1 . 2 . 314 . 1 1 8 TRP HZ3 H -3.188 -5.374 3.178 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HZ3 . . . . . . . . . c25820_2n7t 1 . 2 . 315 . 1 1 8 TRP N N -2.776 -1.911 -2.390 . . . 1.0 . . . . . . . . . . . . A . 10 TRP N . . . . . . . . . c25820_2n7t 1 . 2 . 316 . 1 1 8 TRP NE1 N -3.420 -7.834 -1.460 . . . 1.0 . . . . . . . . . . . . A . 10 TRP NE1 . . . . . . . . . c25820_2n7t 1 . 2 . 317 . 1 1 8 TRP O O -1.283 -3.792 -4.081 . . . 1.0 . . . . . . . . . . . . A . 10 TRP O . . . . . . . . . c25820_2n7t 1 . 2 . 318 . 1 1 9 LYS C C 0.576 -6.514 -3.653 . . . 1.0 . . . . . . . . . . . . A . 11 LYS C . . . . . . . . . c25820_2n7t 1 . 2 . 319 . 1 1 9 LYS CA C 0.830 -5.202 -2.836 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CA . . . . . . . . . c25820_2n7t 1 . 2 . 320 . 1 1 9 LYS CB C 1.844 -5.364 -1.671 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CB . . . . . . . . . c25820_2n7t 1 . 2 . 321 . 1 1 9 LYS CD C 4.103 -4.674 -2.822 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CD . . . . . . . . . c25820_2n7t 1 . 2 . 322 . 1 1 9 LYS CE C 4.568 -3.457 -1.998 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CE . . . . . . . . . c25820_2n7t 1 . 2 . 323 . 1 1 9 LYS CG C 3.284 -5.742 -2.059 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CG . . . . . . . . . c25820_2n7t 1 . 2 . 324 . 1 1 9 LYS H H -0.430 -4.604 -1.160 . . . 1.0 . . . . . . . . . . . . A . 11 LYS H . . . . . . . . . c25820_2n7t 1 . 2 . 325 . 1 1 9 LYS HA H 1.251 -4.465 -3.544 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HA . . . . . . . . . c25820_2n7t 1 . 2 . 326 . 1 1 9 LYS HB2 H 1.893 -4.444 -1.055 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB2 . . . . . . . . . c25820_2n7t 1 . 2 . 327 . 1 1 9 LYS HB3 H 1.463 -6.134 -0.974 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB3 . . . . . . . . . c25820_2n7t 1 . 2 . 328 . 1 1 9 LYS HD2 H 5.015 -5.179 -3.197 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD2 . . . . . . . . . c25820_2n7t 1 . 2 . 329 . 1 1 9 LYS HD3 H 3.583 -4.355 -3.746 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD3 . . . . . . . . . c25820_2n7t 1 . 2 . 330 . 1 1 9 LYS HE2 H 4.903 -3.781 -0.991 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE2 . . . . . . . . . c25820_2n7t 1 . 2 . 331 . 1 1 9 LYS HE3 H 5.471 -3.027 -2.477 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE3 . . . . . . . . . c25820_2n7t 1 . 2 . 332 . 1 1 9 LYS HG2 H 3.820 -6.017 -1.131 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG2 . . . . . . . . . c25820_2n7t 1 . 2 . 333 . 1 1 9 LYS HG3 H 3.247 -6.671 -2.655 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG3 . . . . . . . . . c25820_2n7t 1 . 2 . 334 . 1 1 9 LYS HZ1 H 2.612 -2.476 -2.322 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ1 . . . . . . . . . c25820_2n7t 1 . 2 . 335 . 1 1 9 LYS N N -0.361 -4.602 -2.190 . . . 1.0 . . . . . . . . . . . . A . 11 LYS N . . . . . . . . . c25820_2n7t 1 . 2 . 336 . 1 1 9 LYS NZ N 3.537 -2.401 -1.889 . . . 1.0 . . . . . . . . . . . . A . 11 LYS NZ . . . . . . . . . c25820_2n7t 1 . 2 . 337 . 1 1 9 LYS O O 1.079 -6.676 -4.760 . . . 1.0 . . . . . . . . . . . . A . 11 LYS O . . . . . . . . . c25820_2n7t 1 . 2 . 338 . 1 1 10 NH2 HN1 H -0.299 -8.265 -3.843 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 HN1 . . . . . . . . . c25820_2n7t 1 . 2 . 339 . 1 1 10 NH2 HN2 H -0.709 -7.292 -2.333 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 HN2 . . . . . . . . . c25820_2n7t 1 . 2 . 340 . 1 1 10 NH2 N N -0.164 -7.502 -3.176 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 N . . . . . . . . . c25820_2n7t 1 . 3 . 341 . 1 1 1 ACE C C 0.562 -4.637 1.352 . . . 1.0 . . . . . . . . . . . . A . 3 ACE C . . . . . . . . . c25820_2n7t 1 . 3 . 342 . 1 1 1 ACE CH3 C 1.121 -5.883 2.014 . . . 1.0 . . . . . . . . . . . . A . 3 ACE CH3 . . . . . . . . . c25820_2n7t 1 . 3 . 343 . 1 1 1 ACE H1 H 0.416 -6.289 2.761 . . . 1.0 . . . . . . . . . . . . A . 3 ACE H1 . . . . . . . . . c25820_2n7t 1 . 3 . 344 . 1 1 1 ACE H2 H 1.304 -6.675 1.267 . . . 1.0 . . . . . . . . . . . . A . 3 ACE H2 . . . . . . . . . c25820_2n7t 1 . 3 . 345 . 1 1 1 ACE H3 H 2.085 -5.680 2.516 . . . 1.0 . . . . . . . . . . . . A . 3 ACE H3 . . . . . . . . . c25820_2n7t 1 . 3 . 346 . 1 1 1 ACE O O 0.269 -4.637 0.156 . . . 1.0 . . . . . . . . . . . . A . 3 ACE O . . . . . . . . . c25820_2n7t 1 . 3 . 347 . 1 1 2 NLE C C 1.129 -1.271 1.506 . . . 1.0 . . . . . . . . . . . . A . 4 NLE C . . . . . . . . . c25820_2n7t 1 . 3 . 348 . 1 1 2 NLE CA C -0.067 -2.263 1.701 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CA . . . . . . . . . c25820_2n7t 1 . 3 . 349 . 1 1 2 NLE CB C -1.043 -1.658 2.740 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CB . . . . . . . . . c25820_2n7t 1 . 3 . 350 . 1 1 2 NLE CD C -3.265 -1.647 4.066 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CD . . . . . . . . . c25820_2n7t 1 . 3 . 351 . 1 1 2 NLE CE C -2.717 -1.567 5.499 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CE . . . . . . . . . c25820_2n7t 1 . 3 . 352 . 1 1 2 NLE CG C -2.354 -2.402 3.076 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CG . . . . . . . . . c25820_2n7t 1 . 3 . 353 . 1 1 2 NLE H H 0.710 -3.739 3.130 . . . 1.0 . . . . . . . . . . . . A . 4 NLE H . . . . . . . . . c25820_2n7t 1 . 3 . 354 . 1 1 2 NLE HA H -0.628 -2.371 0.750 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HA . . . . . . . . . c25820_2n7t 1 . 3 . 355 . 1 1 2 NLE HB2 H -1.347 -0.677 2.355 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HB2 . . . . . . . . . c25820_2n7t 1 . 3 . 356 . 1 1 2 NLE HB3 H -0.482 -1.438 3.665 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HB3 . . . . . . . . . c25820_2n7t 1 . 3 . 357 . 1 1 2 NLE HD2 H -4.253 -2.146 4.093 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HD2 . . . . . . . . . c25820_2n7t 1 . 3 . 358 . 1 1 2 NLE HD3 H -3.473 -0.625 3.689 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HD3 . . . . . . . . . c25820_2n7t 1 . 3 . 359 . 1 1 2 NLE HE1 H -1.782 -0.978 5.552 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HE1 . . . . . . . . . c25820_2n7t 1 . 3 . 360 . 1 1 2 NLE HE2 H -3.440 -1.076 6.176 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HE2 . . . . . . . . . c25820_2n7t 1 . 3 . 361 . 1 1 2 NLE HE3 H -2.505 -2.570 5.914 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HE3 . . . . . . . . . c25820_2n7t 1 . 3 . 362 . 1 1 2 NLE HG2 H -2.138 -3.416 3.462 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HG2 . . . . . . . . . c25820_2n7t 1 . 3 . 363 . 1 1 2 NLE HG3 H -2.924 -2.547 2.143 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HG3 . . . . . . . . . c25820_2n7t 1 . 3 . 364 . 1 1 2 NLE N N 0.412 -3.591 2.164 . . . 1.0 . . . . . . . . . . . . A . 4 NLE N . . . . . . . . . c25820_2n7t 1 . 3 . 365 . 1 1 2 NLE O O 1.947 -1.066 2.410 . . . 1.0 . . . . . . . . . . . . A . 4 NLE O . . . . . . . . . c25820_2n7t 1 . 3 . 366 . 1 1 3 ASP C C 1.643 1.856 0.185 . . . 1.0 . . . . . . . . . . . . A . 5 ASP C . . . . . . . . . c25820_2n7t 1 . 3 . 367 . 1 1 3 ASP CA C 2.220 0.415 0.029 . . . 1.0 . . . . . . . . . . . . A . 5 ASP CA . . . . . . . . . c25820_2n7t 1 . 3 . 368 . 1 1 3 ASP CB C 2.725 0.179 -1.420 . . . 1.0 . . . . . . . . . . . . A . 5 ASP CB . . . . . . . . . c25820_2n7t 1 . 3 . 369 . 1 1 3 ASP CG C 3.646 -1.038 -1.594 . . . 1.0 . . . . . . . . . . . . A . 5 ASP CG . . . . . . . . . c25820_2n7t 1 . 3 . 370 . 1 1 3 ASP H H 0.396 -0.806 -0.293 . . . 1.0 . . . . . . . . . . . . A . 5 ASP H . . . . . . . . . c25820_2n7t 1 . 3 . 371 . 1 1 3 ASP HA H 3.093 0.303 0.707 . . . 1.0 . . . . . . . . . . . . A . 5 ASP HA . . . . . . . . . c25820_2n7t 1 . 3 . 372 . 1 1 3 ASP HB2 H 1.867 0.154 -2.120 . . . 1.0 . . . . . . . . . . . . A . 5 ASP HB2 . . . . . . . . . c25820_2n7t 1 . 3 . 373 . 1 1 3 ASP HB3 H 3.317 1.052 -1.743 . . . 1.0 . . . . . . . . . . . . A . 5 ASP HB3 . . . . . . . . . c25820_2n7t 1 . 3 . 374 . 1 1 3 ASP N N 1.183 -0.606 0.345 . . . 1.0 . . . . . . . . . . . . A . 5 ASP N . . . . . . . . . c25820_2n7t 1 . 3 . 375 . 1 1 3 ASP O O 0.671 2.217 -0.487 . . . 1.0 . . . . . . . . . . . . A . 5 ASP O . . . . . . . . . c25820_2n7t 1 . 3 . 376 . 1 1 3 ASP OD1 O 4.637 -1.175 -0.877 . . . 1.0 . . . . . . . . . . . . A . 5 ASP OD1 . . . . . . . . . c25820_2n7t 1 . 3 . 377 . 1 1 4 TRP C C 1.773 5.019 0.043 . . . 1.0 . . . . . . . . . . . . A . 6 TRP C . . . . . . . . . c25820_2n7t 1 . 3 . 378 . 1 1 4 TRP CA C 1.813 4.086 1.321 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CA . . . . . . . . . c25820_2n7t 1 . 3 . 379 . 1 1 4 TRP CB C 2.754 4.638 2.434 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CB . . . . . . . . . c25820_2n7t 1 . 3 . 380 . 1 1 4 TRP CD1 C 2.693 7.264 2.494 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CD1 . . . . . . . . . c25820_2n7t 1 . 3 . 381 . 1 1 4 TRP CD2 C 1.523 6.267 4.103 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CD2 . . . . . . . . . c25820_2n7t 1 . 3 . 382 . 1 1 4 TRP CE2 C 1.364 7.673 4.198 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CE2 . . . . . . . . . c25820_2n7t 1 . 3 . 383 . 1 1 4 TRP CE3 C 0.830 5.408 4.992 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CE3 . . . . . . . . . c25820_2n7t 1 . 3 . 384 . 1 1 4 TRP CG C 2.355 5.999 3.029 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CG . . . . . . . . . c25820_2n7t 1 . 3 . 385 . 1 1 4 TRP CH2 C -0.162 7.365 6.048 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CH2 . . . . . . . . . c25820_2n7t 1 . 3 . 386 . 1 1 4 TRP CZ2 C 0.510 8.227 5.178 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CZ2 . . . . . . . . . c25820_2n7t 1 . 3 . 387 . 1 1 4 TRP CZ3 C -0.003 5.977 5.956 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CZ3 . . . . . . . . . c25820_2n7t 1 . 3 . 388 . 1 1 4 TRP H H 3.078 2.283 1.519 . . . 1.0 . . . . . . . . . . . . A . 6 TRP H . . . . . . . . . c25820_2n7t 1 . 3 . 389 . 1 1 4 TRP HA H 0.797 4.010 1.751 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HA . . . . . . . . . c25820_2n7t 1 . 3 . 390 . 1 1 4 TRP HB2 H 2.817 3.913 3.270 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HB2 . . . . . . . . . c25820_2n7t 1 . 3 . 391 . 1 1 4 TRP HB3 H 3.788 4.707 2.048 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HB3 . . . . . . . . . c25820_2n7t 1 . 3 . 392 . 1 1 4 TRP HD1 H 3.267 7.403 1.588 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HD1 . . . . . . . . . c25820_2n7t 1 . 3 . 393 . 1 1 4 TRP HE1 H 2.136 9.324 3.023 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HE1 . . . . . . . . . c25820_2n7t 1 . 3 . 394 . 1 1 4 TRP HE3 H 0.939 4.337 4.923 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HE3 . . . . . . . . . c25820_2n7t 1 . 3 . 395 . 1 1 4 TRP HH2 H -0.819 7.776 6.802 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HH2 . . . . . . . . . c25820_2n7t 1 . 3 . 396 . 1 1 4 TRP HZ2 H 0.372 9.297 5.248 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HZ2 . . . . . . . . . c25820_2n7t 1 . 3 . 397 . 1 1 4 TRP HZ3 H -0.538 5.335 6.639 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HZ3 . . . . . . . . . c25820_2n7t 1 . 3 . 398 . 1 1 4 TRP N N 2.260 2.685 1.050 . . . 1.0 . . . . . . . . . . . . A . 6 TRP N . . . . . . . . . c25820_2n7t 1 . 3 . 399 . 1 1 4 TRP NE1 N 2.088 8.316 3.209 . . . 1.0 . . . . . . . . . . . . A . 6 TRP NE1 . . . . . . . . . c25820_2n7t 1 . 3 . 400 . 1 1 4 TRP O O 2.744 4.988 -0.723 . . . 1.0 . . . . . . . . . . . . A . 6 TRP O . . . . . . . . . c25820_2n7t 1 . 3 . 401 . 1 1 5 PRO C C -1.644 5.159 0.776 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c25820_2n7t 1 . 3 . 402 . 1 1 5 PRO CA C -0.416 6.134 0.701 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c25820_2n7t 1 . 3 . 403 . 1 1 5 PRO CB C -0.794 7.558 0.242 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c25820_2n7t 1 . 3 . 404 . 1 1 5 PRO CD C 0.734 6.741 -1.415 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c25820_2n7t 1 . 3 . 405 . 1 1 5 PRO CG C -0.539 7.572 -1.266 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c25820_2n7t 1 . 3 . 406 . 1 1 5 PRO HA H -0.057 6.220 1.740 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c25820_2n7t 1 . 3 . 407 . 1 1 5 PRO HB2 H -1.828 7.846 0.506 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB2 . . . . . . . . . c25820_2n7t 1 . 3 . 408 . 1 1 5 PRO HB3 H -0.139 8.298 0.743 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c25820_2n7t 1 . 3 . 409 . 1 1 5 PRO HD2 H 0.750 6.174 -2.366 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD2 . . . . . . . . . c25820_2n7t 1 . 3 . 410 . 1 1 5 PRO HD3 H 1.633 7.388 -1.400 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c25820_2n7t 1 . 3 . 411 . 1 1 5 PRO HG2 H -1.380 7.089 -1.803 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG2 . . . . . . . . . c25820_2n7t 1 . 3 . 412 . 1 1 5 PRO HG3 H -0.433 8.593 -1.675 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c25820_2n7t 1 . 3 . 413 . 1 1 5 PRO N N 0.718 5.847 -0.237 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c25820_2n7t 1 . 3 . 414 . 1 1 5 PRO O O -2.615 5.467 1.472 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c25820_2n7t 1 . 3 . 415 . 1 1 6 . C C -2.985 2.270 -1.125 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 C . . . . . . . . . c25820_2n7t 1 . 3 . 416 . 1 1 6 . CA C -2.628 2.919 0.252 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 CA . . . . . . . . . c25820_2n7t 1 . 3 . 417 . 1 1 6 . CB C -2.160 1.805 1.242 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 CB . . . . . . . . . c25820_2n7t 1 . 3 . 418 . 1 1 6 . CD1 C -2.948 2.658 3.497 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 CD1 . . . . . . . . . c25820_2n7t 1 . 3 . 419 . 1 1 6 . CD2 C -0.698 1.803 3.313 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 CD2 . . . . . . . . . c25820_2n7t 1 . 3 . 420 . 1 1 6 . CE1 C -2.796 2.819 4.871 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 CE1 . . . . . . . . . c25820_2n7t 1 . 3 . 421 . 1 1 6 . CE2 C -0.526 1.923 4.689 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 CE2 . . . . . . . . . c25820_2n7t 1 . 3 . 422 . 1 1 6 . CE3 C 0.661 1.526 5.307 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 CE3 . . . . . . . . . c25820_2n7t 1 . 3 . 423 . 1 1 6 . CE4 C 0.803 1.652 6.686 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 CE4 . . . . . . . . . c25820_2n7t 1 . 3 . 424 . 1 1 6 . CG C -1.913 2.149 2.717 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 CG . . . . . . . . . c25820_2n7t 1 . 3 . 425 . 1 1 6 . CZ1 C -1.600 2.448 5.489 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 CZ1 . . . . . . . . . c25820_2n7t 1 . 3 . 426 . 1 1 6 . CZ2 C -1.429 2.558 6.870 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 CZ2 . . . . . . . . . c25820_2n7t 1 . 3 . 427 . 1 1 6 . CZ3 C -0.233 2.165 7.461 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 CZ3 . . . . . . . . . c25820_2n7t 1 . 3 . 428 . 1 1 6 . H H -0.687 3.805 -0.325 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 H . . . . . . . . . c25820_2n7t 1 . 3 . 429 . 1 1 6 . HA H -3.576 3.349 0.635 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 HA . . . . . . . . . c25820_2n7t 1 . 3 . 430 . 1 1 6 . HB1 H -1.262 1.313 0.826 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 HB1 . . . . . . . . . c25820_2n7t 1 . 3 . 431 . 1 1 6 . HB2 H -2.906 0.991 1.227 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 HB2 . . . . . . . . . c25820_2n7t 1 . 3 . 432 . 1 1 6 . HD1 H -3.883 2.905 3.017 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 HD1 . . . . . . . . . c25820_2n7t 1 . 3 . 433 . 1 1 6 . HD2 H 0.087 1.382 2.702 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 HD2 . . . . . . . . . c25820_2n7t 1 . 3 . 434 . 1 1 6 . HE1 H -3.622 3.213 5.446 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 HE1 . . . . . . . . . c25820_2n7t 1 . 3 . 435 . 1 1 6 . HE3 H 1.479 1.117 4.729 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 HE3 . . . . . . . . . c25820_2n7t 1 . 3 . 436 . 1 1 6 . HE4 H 1.727 1.346 7.159 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 HE4 . . . . . . . . . c25820_2n7t 1 . 3 . 437 . 1 1 6 . HZ2 H -2.220 2.947 7.498 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 HZ2 . . . . . . . . . c25820_2n7t 1 . 3 . 438 . 1 1 6 . HZ23 H -0.107 2.255 8.531 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 HZ23 . . . . . . . . . c25820_2n7t 1 . 3 . 439 . 1 1 6 . N N -1.593 3.986 0.128 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 N . . . . . . . . . c25820_2n7t 1 . 3 . 440 . 1 1 6 . O O -4.158 2.221 -1.502 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 O . . . . . . . . . c25820_2n7t 1 . 3 . 441 . 1 1 7 ARG C C -1.890 -0.761 -2.251 . . . 1.0 . . . . . . . . . . . . A . 9 ARG C . . . . . . . . . c25820_2n7t 1 . 3 . 442 . 1 1 7 ARG CA C -2.194 0.652 -2.849 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CA . . . . . . . . . c25820_2n7t 1 . 3 . 443 . 1 1 7 ARG CB C -1.272 1.018 -4.038 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CB . . . . . . . . . c25820_2n7t 1 . 3 . 444 . 1 1 7 ARG CD C -2.659 0.199 -6.111 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CD . . . . . . . . . c25820_2n7t 1 . 3 . 445 . 1 1 7 ARG CG C -1.345 0.130 -5.303 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CG . . . . . . . . . c25820_2n7t 1 . 3 . 446 . 1 1 7 ARG CZ C -4.939 -0.438 -5.245 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CZ . . . . . . . . . c25820_2n7t 1 . 3 . 447 . 1 1 7 ARG H H -1.082 1.753 -1.330 . . . 1.0 . . . . . . . . . . . . A . 9 ARG H . . . . . . . . . c25820_2n7t 1 . 3 . 448 . 1 1 7 ARG HA H -3.244 0.682 -3.205 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HA . . . . . . . . . c25820_2n7t 1 . 3 . 449 . 1 1 7 ARG HB2 H -1.470 2.062 -4.343 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HB2 . . . . . . . . . c25820_2n7t 1 . 3 . 450 . 1 1 7 ARG HB3 H -0.224 1.014 -3.683 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HB3 . . . . . . . . . c25820_2n7t 1 . 3 . 451 . 1 1 7 ARG HD2 H -3.009 1.246 -6.192 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HD2 . . . . . . . . . c25820_2n7t 1 . 3 . 452 . 1 1 7 ARG HD3 H -2.447 -0.100 -7.156 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HD3 . . . . . . . . . c25820_2n7t 1 . 3 . 453 . 1 1 7 ARG HG2 H -0.520 0.459 -5.961 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HG2 . . . . . . . . . c25820_2n7t 1 . 3 . 454 . 1 1 7 ARG HG3 H -1.093 -0.919 -5.055 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HG3 . . . . . . . . . c25820_2n7t 1 . 3 . 455 . 1 1 7 ARG HH11 H -4.795 1.492 -5.572 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH11 . . . . . . . . . c25820_2n7t 1 . 3 . 456 . 1 1 7 ARG HH12 H -6.414 0.867 -4.962 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH12 . . . . . . . . . c25820_2n7t 1 . 3 . 457 . 1 1 7 ARG HH21 H -5.232 -2.319 -4.923 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH21 . . . . . . . . . c25820_2n7t 1 . 3 . 458 . 1 1 7 ARG HH22 H -6.662 -1.194 -4.609 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH22 . . . . . . . . . c25820_2n7t 1 . 3 . 459 . 1 1 7 ARG N N -1.985 1.693 -1.817 . . . 1.0 . . . . . . . . . . . . A . 9 ARG N . . . . . . . . . c25820_2n7t 1 . 3 . 460 . 1 1 7 ARG NE N -3.688 -0.743 -5.591 . . . 1.0 . . . . . . . . . . . . A . 9 ARG NE . . . . . . . . . c25820_2n7t 1 . 3 . 461 . 1 1 7 ARG NH1 N -5.446 0.766 -5.267 . . . 1.0 . . . . . . . . . . . . A . 9 ARG NH1 . . . . . . . . . c25820_2n7t 1 . 3 . 462 . 1 1 7 ARG NH2 N -5.695 -1.411 -4.855 . . . 1.0 . . . . . . . . . . . . A . 9 ARG NH2 . . . . . . . . . c25820_2n7t 1 . 3 . 463 . 1 1 7 ARG O O -1.022 -0.939 -1.388 . . . 1.0 . . . . . . . . . . . . A . 9 ARG O . . . . . . . . . c25820_2n7t 1 . 3 . 464 . 1 1 8 TRP C C -1.519 -3.992 -3.250 . . . 1.0 . . . . . . . . . . . . A . 10 TRP C . . . . . . . . . c25820_2n7t 1 . 3 . 465 . 1 1 8 TRP CA C -2.448 -3.176 -2.295 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CA . . . . . . . . . c25820_2n7t 1 . 3 . 466 . 1 1 8 TRP CB C -3.872 -3.782 -2.167 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CB . . . . . . . . . c25820_2n7t 1 . 3 . 467 . 1 1 8 TRP CD1 C -4.230 -6.318 -2.587 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CD1 . . . . . . . . . c25820_2n7t 1 . 3 . 468 . 1 1 8 TRP CD2 C -3.563 -5.823 -0.531 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CD2 . . . . . . . . . c25820_2n7t 1 . 3 . 469 . 1 1 8 TRP CE2 C -3.654 -7.230 -0.668 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CE2 . . . . . . . . . c25820_2n7t 1 . 3 . 470 . 1 1 8 TRP CE3 C -3.081 -5.246 0.666 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CE3 . . . . . . . . . c25820_2n7t 1 . 3 . 471 . 1 1 8 TRP CG C -3.927 -5.249 -1.730 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CG . . . . . . . . . c25820_2n7t 1 . 3 . 472 . 1 1 8 TRP CH2 C -2.795 -7.484 1.580 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CH2 . . . . . . . . . c25820_2n7t 1 . 3 . 473 . 1 1 8 TRP CZ2 C -3.260 -8.071 0.400 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CZ2 . . . . . . . . . c25820_2n7t 1 . 3 . 474 . 1 1 8 TRP CZ3 C -2.708 -6.091 1.710 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CZ3 . . . . . . . . . c25820_2n7t 1 . 3 . 475 . 1 1 8 TRP H H -3.060 -1.524 -3.640 . . . 1.0 . . . . . . . . . . . . A . 10 TRP H . . . . . . . . . c25820_2n7t 1 . 3 . 476 . 1 1 8 TRP HA H -2.020 -3.186 -1.271 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HA . . . . . . . . . c25820_2n7t 1 . 3 . 477 . 1 1 8 TRP HB2 H -4.471 -3.193 -1.453 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HB2 . . . . . . . . . c25820_2n7t 1 . 3 . 478 . 1 1 8 TRP HB3 H -4.398 -3.680 -3.131 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HB3 . . . . . . . . . c25820_2n7t 1 . 3 . 479 . 1 1 8 TRP HD1 H -4.471 -6.162 -3.628 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HD1 . . . . . . . . . c25820_2n7t 1 . 3 . 480 . 1 1 8 TRP HE1 H -4.148 -8.503 -2.356 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HE1 . . . . . . . . . c25820_2n7t 1 . 3 . 481 . 1 1 8 TRP HE3 H -2.982 -4.176 0.745 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HE3 . . . . . . . . . c25820_2n7t 1 . 3 . 482 . 1 1 8 TRP HH2 H -2.489 -8.114 2.403 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HH2 . . . . . . . . . c25820_2n7t 1 . 3 . 483 . 1 1 8 TRP HZ2 H -3.308 -9.145 0.299 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HZ2 . . . . . . . . . c25820_2n7t 1 . 3 . 484 . 1 1 8 TRP HZ3 H -2.327 -5.656 2.624 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HZ3 . . . . . . . . . c25820_2n7t 1 . 3 . 485 . 1 1 8 TRP N N -2.610 -1.771 -2.745 . . . 1.0 . . . . . . . . . . . . A . 10 TRP N . . . . . . . . . c25820_2n7t 1 . 3 . 486 . 1 1 8 TRP NE1 N -4.078 -7.565 -1.946 . . . 1.0 . . . . . . . . . . . . A . 10 TRP NE1 . . . . . . . . . c25820_2n7t 1 . 3 . 487 . 1 1 8 TRP O O -1.741 -4.073 -4.461 . . . 1.0 . . . . . . . . . . . . A . 10 TRP O . . . . . . . . . c25820_2n7t 1 . 3 . 488 . 1 1 9 LYS C C -0.089 -7.153 -2.675 . . . 1.0 . . . . . . . . . . . . A . 11 LYS C . . . . . . . . . c25820_2n7t 1 . 3 . 489 . 1 1 9 LYS CA C 0.240 -5.758 -3.302 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CA . . . . . . . . . c25820_2n7t 1 . 3 . 490 . 1 1 9 LYS CB C 1.746 -5.396 -3.234 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CB . . . . . . . . . c25820_2n7t 1 . 3 . 491 . 1 1 9 LYS CD C 3.655 -3.844 -4.103 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CD . . . . . . . . . c25820_2n7t 1 . 3 . 492 . 1 1 9 LYS CE C 4.063 -3.153 -2.787 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CE . . . . . . . . . c25820_2n7t 1 . 3 . 493 . 1 1 9 LYS CG C 2.181 -4.286 -4.223 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CG . . . . . . . . . c25820_2n7t 1 . 3 . 494 . 1 1 9 LYS H H -0.399 -4.459 -1.650 . . . 1.0 . . . . . . . . . . . . A . 11 LYS H . . . . . . . . . c25820_2n7t 1 . 3 . 495 . 1 1 9 LYS HA H -0.027 -5.849 -4.372 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HA . . . . . . . . . c25820_2n7t 1 . 3 . 496 . 1 1 9 LYS HB2 H 2.003 -5.114 -2.195 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB2 . . . . . . . . . c25820_2n7t 1 . 3 . 497 . 1 1 9 LYS HB3 H 2.343 -6.300 -3.439 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB3 . . . . . . . . . c25820_2n7t 1 . 3 . 498 . 1 1 9 LYS HD2 H 4.308 -4.722 -4.262 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD2 . . . . . . . . . c25820_2n7t 1 . 3 . 499 . 1 1 9 LYS HD3 H 3.893 -3.167 -4.946 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD3 . . . . . . . . . c25820_2n7t 1 . 3 . 500 . 1 1 9 LYS HE2 H 3.912 -3.842 -1.934 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE2 . . . . . . . . . c25820_2n7t 1 . 3 . 501 . 1 1 9 LYS HE3 H 5.151 -2.948 -2.818 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE3 . . . . . . . . . c25820_2n7t 1 . 3 . 502 . 1 1 9 LYS HG2 H 2.004 -4.634 -5.257 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG2 . . . . . . . . . c25820_2n7t 1 . 3 . 503 . 1 1 9 LYS HG3 H 1.528 -3.400 -4.102 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG3 . . . . . . . . . c25820_2n7t 1 . 3 . 504 . 1 1 9 LYS HZ1 H 2.447 -1.676 -3.053 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ1 . . . . . . . . . c25820_2n7t 1 . 3 . 505 . 1 1 9 LYS N N -0.534 -4.669 -2.648 . . . 1.0 . . . . . . . . . . . . A . 11 LYS N . . . . . . . . . c25820_2n7t 1 . 3 . 506 . 1 1 9 LYS NZ N 3.315 -1.898 -2.558 . . . 1.0 . . . . . . . . . . . . A . 11 LYS NZ . . . . . . . . . c25820_2n7t 1 . 3 . 507 . 1 1 9 LYS O O -0.481 -8.086 -3.370 . . . 1.0 . . . . . . . . . . . . A . 11 LYS O . . . . . . . . . c25820_2n7t 1 . 3 . 508 . 1 1 10 NH2 HN1 H 0.188 -6.555 -0.789 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 HN1 . . . . . . . . . c25820_2n7t 1 . 3 . 509 . 1 1 10 NH2 HN2 H -0.314 -8.299 -1.097 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 HN2 . . . . . . . . . c25820_2n7t 1 . 3 . 510 . 1 1 10 NH2 N N 0.048 -7.385 -1.378 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 N . . . . . . . . . c25820_2n7t 1 . 4 . 511 . 1 1 1 ACE C C 0.790 -4.428 2.695 . . . 1.0 . . . . . . . . . . . . A . 3 ACE C . . . . . . . . . c25820_2n7t 1 . 4 . 512 . 1 1 1 ACE CH3 C 0.854 -4.728 1.203 . . . 1.0 . . . . . . . . . . . . A . 3 ACE CH3 . . . . . . . . . c25820_2n7t 1 . 4 . 513 . 1 1 1 ACE H1 H 1.424 -5.656 1.022 . . . 1.0 . . . . . . . . . . . . A . 3 ACE H1 . . . . . . . . . c25820_2n7t 1 . 4 . 514 . 1 1 1 ACE H2 H -0.162 -4.875 0.799 . . . 1.0 . . . . . . . . . . . . A . 3 ACE H2 . . . . . . . . . c25820_2n7t 1 . 4 . 515 . 1 1 1 ACE H3 H 1.353 -3.913 0.651 . . . 1.0 . . . . . . . . . . . . A . 3 ACE H3 . . . . . . . . . c25820_2n7t 1 . 4 . 516 . 1 1 1 ACE O O 1.120 -5.292 3.500 . . . 1.0 . . . . . . . . . . . . A . 3 ACE O . . . . . . . . . c25820_2n7t 1 . 4 . 517 . 1 1 2 NLE C C 1.016 -1.086 2.029 . . . 1.0 . . . . . . . . . . . . A . 4 NLE C . . . . . . . . . c25820_2n7t 1 . 4 . 518 . 1 1 2 NLE CA C -0.115 -2.102 2.402 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CA . . . . . . . . . c25820_2n7t 1 . 4 . 519 . 1 1 2 NLE CB C -1.297 -1.441 3.163 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CB . . . . . . . . . c25820_2n7t 1 . 4 . 520 . 1 1 2 NLE CD C -2.311 -0.323 5.283 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CD . . . . . . . . . c25820_2n7t 1 . 4 . 521 . 1 1 2 NLE CE C -3.465 -1.284 5.607 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CE . . . . . . . . . c25820_2n7t 1 . 4 . 522 . 1 1 2 NLE CG C -1.088 -1.003 4.640 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CG . . . . . . . . . c25820_2n7t 1 . 4 . 523 . 1 1 2 NLE H H 0.372 -3.251 4.212 . . . 1.0 . . . . . . . . . . . . A . 4 NLE H . . . . . . . . . c25820_2n7t 1 . 4 . 524 . 1 1 2 NLE HA H -0.567 -2.480 1.461 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HA . . . . . . . . . c25820_2n7t 1 . 4 . 525 . 1 1 2 NLE HB2 H -2.158 -2.126 3.109 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HB2 . . . . . . . . . c25820_2n7t 1 . 4 . 526 . 1 1 2 NLE HB3 H -1.629 -0.563 2.584 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HB3 . . . . . . . . . c25820_2n7t 1 . 4 . 527 . 1 1 2 NLE HD2 H -2.676 0.497 4.639 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HD2 . . . . . . . . . c25820_2n7t 1 . 4 . 528 . 1 1 2 NLE HD3 H -1.990 0.176 6.219 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HD3 . . . . . . . . . c25820_2n7t 1 . 4 . 529 . 1 1 2 NLE HE1 H -3.142 -2.099 6.281 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HE1 . . . . . . . . . c25820_2n7t 1 . 4 . 530 . 1 1 2 NLE HE2 H -4.295 -0.753 6.108 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HE2 . . . . . . . . . c25820_2n7t 1 . 4 . 531 . 1 1 2 NLE HE3 H -3.883 -1.751 4.696 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HE3 . . . . . . . . . c25820_2n7t 1 . 4 . 532 . 1 1 2 NLE HG2 H -0.228 -0.309 4.689 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HG2 . . . . . . . . . c25820_2n7t 1 . 4 . 533 . 1 1 2 NLE HG3 H -0.784 -1.864 5.264 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HG3 . . . . . . . . . c25820_2n7t 1 . 4 . 534 . 1 1 2 NLE N N 0.373 -3.266 3.191 . . . 1.0 . . . . . . . . . . . . A . 4 NLE N . . . . . . . . . c25820_2n7t 1 . 4 . 535 . 1 1 2 NLE O O 1.776 -0.610 2.879 . . . 1.0 . . . . . . . . . . . . A . 4 NLE O . . . . . . . . . c25820_2n7t 1 . 4 . 536 . 1 1 3 ASP C C 1.589 1.665 0.160 . . . 1.0 . . . . . . . . . . . . A . 5 ASP C . . . . . . . . . c25820_2n7t 1 . 4 . 537 . 1 1 3 ASP CA C 2.114 0.193 0.187 . . . 1.0 . . . . . . . . . . . . A . 5 ASP CA . . . . . . . . . c25820_2n7t 1 . 4 . 538 . 1 1 3 ASP CB C 2.490 -0.284 -1.247 . . . 1.0 . . . . . . . . . . . . A . 5 ASP CB . . . . . . . . . c25820_2n7t 1 . 4 . 539 . 1 1 3 ASP CG C 3.495 -1.446 -1.340 . . . 1.0 . . . . . . . . . . . . A . 5 ASP CG . . . . . . . . . c25820_2n7t 1 . 4 . 540 . 1 1 3 ASP H H 0.287 -1.049 0.167 . . . 1.0 . . . . . . . . . . . . A . 5 ASP H . . . . . . . . . c25820_2n7t 1 . 4 . 541 . 1 1 3 ASP HA H 3.031 0.155 0.813 . . . 1.0 . . . . . . . . . . . . A . 5 ASP HA . . . . . . . . . c25820_2n7t 1 . 4 . 542 . 1 1 3 ASP HB2 H 1.571 -0.497 -1.829 . . . 1.0 . . . . . . . . . . . . A . 5 ASP HB2 . . . . . . . . . c25820_2n7t 1 . 4 . 543 . 1 1 3 ASP HB3 H 2.966 0.552 -1.791 . . . 1.0 . . . . . . . . . . . . A . 5 ASP HB3 . . . . . . . . . c25820_2n7t 1 . 4 . 544 . 1 1 3 ASP N N 1.094 -0.743 0.735 . . . 1.0 . . . . . . . . . . . . A . 5 ASP N . . . . . . . . . c25820_2n7t 1 . 4 . 545 . 1 1 3 ASP O O 0.565 1.953 -0.468 . . . 1.0 . . . . . . . . . . . . A . 5 ASP O . . . . . . . . . c25820_2n7t 1 . 4 . 546 . 1 1 3 ASP OD1 O 4.388 -1.569 -0.500 . . . 1.0 . . . . . . . . . . . . A . 5 ASP OD1 . . . . . . . . . c25820_2n7t 1 . 4 . 547 . 1 1 4 TRP C C 1.839 4.745 -0.557 . . . 1.0 . . . . . . . . . . . . A . 6 TRP C . . . . . . . . . c25820_2n7t 1 . 4 . 548 . 1 1 4 TRP CA C 1.950 4.047 0.860 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CA . . . . . . . . . c25820_2n7t 1 . 4 . 549 . 1 1 4 TRP CB C 3.008 4.729 1.781 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CB . . . . . . . . . c25820_2n7t 1 . 4 . 550 . 1 1 4 TRP CD1 C 3.137 7.312 1.323 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CD1 . . . . . . . . . c25820_2n7t 1 . 4 . 551 . 1 1 4 TRP CD2 C 2.033 6.751 3.172 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CD2 . . . . . . . . . c25820_2n7t 1 . 4 . 552 . 1 1 4 TRP CE2 C 1.984 8.158 2.993 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CE2 . . . . . . . . . c25820_2n7t 1 . 4 . 553 . 1 1 4 TRP CE3 C 1.349 6.143 4.252 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CE3 . . . . . . . . . c25820_2n7t 1 . 4 . 554 . 1 1 4 TRP CG C 2.755 6.209 2.121 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CG . . . . . . . . . c25820_2n7t 1 . 4 . 555 . 1 1 4 TRP CH2 C 0.587 8.345 4.959 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CH2 . . . . . . . . . c25820_2n7t 1 . 4 . 556 . 1 1 4 TRP CZ2 C 1.250 8.962 3.895 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CZ2 . . . . . . . . . c25820_2n7t 1 . 4 . 557 . 1 1 4 TRP CZ3 C 0.636 6.956 5.134 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CZ3 . . . . . . . . . c25820_2n7t 1 . 4 . 558 . 1 1 4 TRP H H 3.157 2.240 1.269 . . . 1.0 . . . . . . . . . . . . A . 6 TRP H . . . . . . . . . c25820_2n7t 1 . 4 . 559 . 1 1 4 TRP HA H 0.973 4.107 1.375 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HA . . . . . . . . . c25820_2n7t 1 . 4 . 560 . 1 1 4 TRP HB2 H 3.088 4.174 2.736 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HB2 . . . . . . . . . c25820_2n7t 1 . 4 . 561 . 1 1 4 TRP HB3 H 4.012 4.640 1.323 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HB3 . . . . . . . . . c25820_2n7t 1 . 4 . 562 . 1 1 4 TRP HD1 H 3.641 7.224 0.372 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HD1 . . . . . . . . . c25820_2n7t 1 . 4 . 563 . 1 1 4 TRP HE1 H 2.775 9.477 1.465 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HE1 . . . . . . . . . c25820_2n7t 1 . 4 . 564 . 1 1 4 TRP HE3 H 1.371 5.074 4.388 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HE3 . . . . . . . . . c25820_2n7t 1 . 4 . 565 . 1 1 4 TRP HH2 H 0.021 8.949 5.654 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HH2 . . . . . . . . . c25820_2n7t 1 . 4 . 566 . 1 1 4 TRP HZ2 H 1.197 10.032 3.760 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HZ2 . . . . . . . . . c25820_2n7t 1 . 4 . 567 . 1 1 4 TRP HZ3 H 0.108 6.508 5.962 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HZ3 . . . . . . . . . c25820_2n7t 1 . 4 . 568 . 1 1 4 TRP N N 2.315 2.598 0.809 . . . 1.0 . . . . . . . . . . . . A . 6 TRP N . . . . . . . . . c25820_2n7t 1 . 4 . 569 . 1 1 4 TRP NE1 N 2.671 8.532 1.852 . . . 1.0 . . . . . . . . . . . . A . 6 TRP NE1 . . . . . . . . . c25820_2n7t 1 . 4 . 570 . 1 1 4 TRP O O 2.728 4.513 -1.386 . . . 1.0 . . . . . . . . . . . . A . 6 TRP O . . . . . . . . . c25820_2n7t 1 . 4 . 571 . 1 1 5 PRO C C -1.504 5.239 0.370 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c25820_2n7t 1 . 4 . 572 . 1 1 5 PRO CA C -0.223 6.098 0.074 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c25820_2n7t 1 . 4 . 573 . 1 1 5 PRO CB C -0.535 7.464 -0.570 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c25820_2n7t 1 . 4 . 574 . 1 1 5 PRO CD C 0.778 6.284 -2.194 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c25820_2n7t 1 . 4 . 575 . 1 1 5 PRO CG C -0.413 7.233 -2.076 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c25820_2n7t 1 . 4 . 576 . 1 1 5 PRO HA H 0.219 6.305 1.063 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c25820_2n7t 1 . 4 . 577 . 1 1 5 PRO HB2 H -1.517 7.876 -0.275 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB2 . . . . . . . . . c25820_2n7t 1 . 4 . 578 . 1 1 5 PRO HB3 H 0.215 8.212 -0.240 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c25820_2n7t 1 . 4 . 579 . 1 1 5 PRO HD2 H 0.664 5.574 -3.035 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD2 . . . . . . . . . c25820_2n7t 1 . 4 . 580 . 1 1 5 PRO HD3 H 1.718 6.847 -2.359 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c25820_2n7t 1 . 4 . 581 . 1 1 5 PRO HG2 H -1.331 6.750 -2.466 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG2 . . . . . . . . . c25820_2n7t 1 . 4 . 582 . 1 1 5 PRO HG3 H -0.270 8.170 -2.645 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c25820_2n7t 1 . 4 . 583 . 1 1 5 PRO N N 0.812 5.590 -0.887 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c25820_2n7t 1 . 4 . 584 . 1 1 5 PRO O O -2.423 5.729 1.030 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c25820_2n7t 1 . 4 . 585 . 1 1 6 . C C -3.108 2.193 -0.975 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 C . . . . . . . . . c25820_2n7t 1 . 4 . 586 . 1 1 6 . CA C -2.644 3.010 0.273 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 CA . . . . . . . . . c25820_2n7t 1 . 4 . 587 . 1 1 6 . CB C -2.193 2.019 1.394 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 CB . . . . . . . . . c25820_2n7t 1 . 4 . 588 . 1 1 6 . CD1 C -2.713 3.278 3.533 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 CD1 . . . . . . . . . c25820_2n7t 1 . 4 . 589 . 1 1 6 . CD2 C -0.526 2.290 3.284 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 CD2 . . . . . . . . . c25820_2n7t 1 . 4 . 590 . 1 1 6 . CE1 C -2.393 3.711 4.817 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 CE1 . . . . . . . . . c25820_2n7t 1 . 4 . 591 . 1 1 6 . CE2 C -0.184 2.687 4.574 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 CE2 . . . . . . . . . c25820_2n7t 1 . 4 . 592 . 1 1 6 . CE3 C 1.056 2.363 5.126 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 CE3 . . . . . . . . . c25820_2n7t 1 . 4 . 593 . 1 1 6 . CE4 C 1.367 2.760 6.424 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 CE4 . . . . . . . . . c25820_2n7t 1 . 4 . 594 . 1 1 6 . CG C -1.787 2.577 2.764 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 CG . . . . . . . . . c25820_2n7t 1 . 4 . 595 . 1 1 6 . CZ1 C -1.140 3.419 5.360 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 CZ1 . . . . . . . . . c25820_2n7t 1 . 4 . 596 . 1 1 6 . CZ2 C -0.803 3.802 6.659 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 CZ2 . . . . . . . . . c25820_2n7t 1 . 4 . 597 . 1 1 6 . CZ3 C 0.444 3.476 7.184 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 CZ3 . . . . . . . . . c25820_2n7t 1 . 4 . 598 . 1 1 6 . H H -0.677 3.656 -0.503 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 H . . . . . . . . . c25820_2n7t 1 . 4 . 599 . 1 1 6 . HA H -3.540 3.557 0.630 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 HA . . . . . . . . . c25820_2n7t 1 . 4 . 600 . 1 1 6 . HB1 H -1.378 1.380 1.007 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 HB1 . . . . . . . . . c25820_2n7t 1 . 4 . 601 . 1 1 6 . HB2 H -3.005 1.293 1.566 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 HB2 . . . . . . . . . c25820_2n7t 1 . 4 . 602 . 1 1 6 . HD1 H -3.693 3.454 3.119 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 HD1 . . . . . . . . . c25820_2n7t 1 . 4 . 603 . 1 1 6 . HD2 H 0.164 1.703 2.694 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 HD2 . . . . . . . . . c25820_2n7t 1 . 4 . 604 . 1 1 6 . HE1 H -3.137 4.249 5.388 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 HE1 . . . . . . . . . c25820_2n7t 1 . 4 . 605 . 1 1 6 . HE3 H 1.783 1.794 4.562 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 HE3 . . . . . . . . . c25820_2n7t 1 . 4 . 606 . 1 1 6 . HE4 H 2.328 2.506 6.846 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 HE4 . . . . . . . . . c25820_2n7t 1 . 4 . 607 . 1 1 6 . HZ2 H -1.502 4.351 7.276 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 HZ2 . . . . . . . . . c25820_2n7t 1 . 4 . 608 . 1 1 6 . HZ23 H 0.698 3.775 8.190 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 HZ23 . . . . . . . . . c25820_2n7t 1 . 4 . 609 . 1 1 6 . N N -1.547 3.969 -0.056 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 N . . . . . . . . . c25820_2n7t 1 . 4 . 610 . 1 1 6 . O O -4.301 2.130 -1.277 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 O . . . . . . . . . c25820_2n7t 1 . 4 . 611 . 1 1 7 ARG C C -2.075 -0.974 -1.782 . . . 1.0 . . . . . . . . . . . . A . 9 ARG C . . . . . . . . . c25820_2n7t 1 . 4 . 612 . 1 1 7 ARG CA C -2.441 0.352 -2.525 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CA . . . . . . . . . c25820_2n7t 1 . 4 . 613 . 1 1 7 ARG CB C -1.588 0.583 -3.799 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CB . . . . . . . . . c25820_2n7t 1 . 4 . 614 . 1 1 7 ARG CD C -0.970 -0.117 -6.188 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CD . . . . . . . . . c25820_2n7t 1 . 4 . 615 . 1 1 7 ARG CG C -1.796 -0.441 -4.934 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CG . . . . . . . . . c25820_2n7t 1 . 4 . 616 . 1 1 7 ARG CZ C -0.623 -1.246 -8.393 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CZ . . . . . . . . . c25820_2n7t 1 . 4 . 617 . 1 1 7 ARG H H -1.248 1.570 -1.171 . . . 1.0 . . . . . . . . . . . . A . 9 ARG H . . . . . . . . . c25820_2n7t 1 . 4 . 618 . 1 1 7 ARG HA H -3.514 0.339 -2.815 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HA . . . . . . . . . c25820_2n7t 1 . 4 . 619 . 1 1 7 ARG HB2 H -1.814 1.588 -4.201 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HB2 . . . . . . . . . c25820_2n7t 1 . 4 . 620 . 1 1 7 ARG HB3 H -0.517 0.600 -3.524 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HB3 . . . . . . . . . c25820_2n7t 1 . 4 . 621 . 1 1 7 ARG HD2 H -1.262 0.871 -6.597 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HD2 . . . . . . . . . c25820_2n7t 1 . 4 . 622 . 1 1 7 ARG HD3 H 0.107 -0.055 -5.932 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HD3 . . . . . . . . . c25820_2n7t 1 . 4 . 623 . 1 1 7 ARG HG2 H -1.522 -1.454 -4.576 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HG2 . . . . . . . . . c25820_2n7t 1 . 4 . 624 . 1 1 7 ARG HG3 H -2.870 -0.490 -5.196 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HG3 . . . . . . . . . c25820_2n7t 1 . 4 . 625 . 1 1 7 ARG HH11 H 0.424 0.398 -8.204 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH11 . . . . . . . . . c25820_2n7t 1 . 4 . 626 . 1 1 7 ARG HH12 H 0.603 -0.523 -9.790 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH12 . . . . . . . . . c25820_2n7t 1 . 4 . 627 . 1 1 7 ARG HH21 H -1.609 -2.874 -8.703 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH21 . . . . . . . . . c25820_2n7t 1 . 4 . 628 . 1 1 7 ARG HH22 H -0.503 -2.308 -10.071 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH22 . . . . . . . . . c25820_2n7t 1 . 4 . 629 . 1 1 7 ARG N N -2.163 1.498 -1.633 . . . 1.0 . . . . . . . . . . . . A . 9 ARG N . . . . . . . . . c25820_2n7t 1 . 4 . 630 . 1 1 7 ARG NE N -1.199 -1.181 -7.195 . . . 1.0 . . . . . . . . . . . . A . 9 ARG NE . . . . . . . . . c25820_2n7t 1 . 4 . 631 . 1 1 7 ARG NH1 N 0.231 -0.367 -8.852 . . . 1.0 . . . . . . . . . . . . A . 9 ARG NH1 . . . . . . . . . c25820_2n7t 1 . 4 . 632 . 1 1 7 ARG NH2 N -0.935 -2.249 -9.148 . . . 1.0 . . . . . . . . . . . . A . 9 ARG NH2 . . . . . . . . . c25820_2n7t 1 . 4 . 633 . 1 1 7 ARG O O -1.131 -1.047 -0.985 . . . 1.0 . . . . . . . . . . . . A . 9 ARG O . . . . . . . . . c25820_2n7t 1 . 4 . 634 . 1 1 8 TRP C C -1.483 -4.085 -2.713 . . . 1.0 . . . . . . . . . . . . A . 10 TRP C . . . . . . . . . c25820_2n7t 1 . 4 . 635 . 1 1 8 TRP CA C -2.427 -3.415 -1.659 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CA . . . . . . . . . c25820_2n7t 1 . 4 . 636 . 1 1 8 TRP CB C -3.730 -4.208 -1.388 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CB . . . . . . . . . c25820_2n7t 1 . 4 . 637 . 1 1 8 TRP CD1 C -3.322 -6.760 -1.377 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CD1 . . . . . . . . . c25820_2n7t 1 . 4 . 638 . 1 1 8 TRP CD2 C -3.174 -5.804 0.621 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CD2 . . . . . . . . . c25820_2n7t 1 . 4 . 639 . 1 1 8 TRP CE2 C -2.818 -7.171 0.726 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CE2 . . . . . . . . . c25820_2n7t 1 . 4 . 640 . 1 1 8 TRP CE3 C -3.090 -4.946 1.745 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CE3 . . . . . . . . . c25820_2n7t 1 . 4 . 641 . 1 1 8 TRP CG C -3.482 -5.547 -0.699 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CG . . . . . . . . . c25820_2n7t 1 . 4 . 642 . 1 1 8 TRP CH2 C -2.295 -6.833 3.065 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CH2 . . . . . . . . . c25820_2n7t 1 . 4 . 643 . 1 1 8 TRP CZ2 C -2.366 -7.689 1.963 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CZ2 . . . . . . . . . c25820_2n7t 1 . 4 . 644 . 1 1 8 TRP CZ3 C -2.657 -5.483 2.958 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CZ3 . . . . . . . . . c25820_2n7t 1 . 4 . 645 . 1 1 8 TRP H H -3.373 -1.905 -2.935 . . . 1.0 . . . . . . . . . . . . A . 10 TRP H . . . . . . . . . c25820_2n7t 1 . 4 . 646 . 1 1 8 TRP HA H -1.894 -3.347 -0.688 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HA . . . . . . . . . c25820_2n7t 1 . 4 . 647 . 1 1 8 TRP HB2 H -4.409 -3.626 -0.745 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HB2 . . . . . . . . . c25820_2n7t 1 . 4 . 648 . 1 1 8 TRP HB3 H -4.291 -4.364 -2.326 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HB3 . . . . . . . . . c25820_2n7t 1 . 4 . 649 . 1 1 8 TRP HD1 H -3.408 -6.814 -2.451 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HD1 . . . . . . . . . c25820_2n7t 1 . 4 . 650 . 1 1 8 TRP HE1 H -2.632 -8.752 -0.753 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HE1 . . . . . . . . . c25820_2n7t 1 . 4 . 651 . 1 1 8 TRP HE3 H -3.343 -3.900 1.653 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HE3 . . . . . . . . . c25820_2n7t 1 . 4 . 652 . 1 1 8 TRP HH2 H -1.943 -7.214 4.013 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HH2 . . . . . . . . . c25820_2n7t 1 . 4 . 653 . 1 1 8 TRP HZ2 H -2.067 -8.724 2.049 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HZ2 . . . . . . . . . c25820_2n7t 1 . 4 . 654 . 1 1 8 TRP HZ3 H -2.576 -4.841 3.825 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HZ3 . . . . . . . . . c25820_2n7t 1 . 4 . 655 . 1 1 8 TRP N N -2.805 -2.049 -2.097 . . . 1.0 . . . . . . . . . . . . A . 10 TRP N . . . . . . . . . c25820_2n7t 1 . 4 . 656 . 1 1 8 TRP NE1 N -2.909 -7.793 -0.511 . . . 1.0 . . . . . . . . . . . . A . 10 TRP NE1 . . . . . . . . . c25820_2n7t 1 . 4 . 657 . 1 1 8 TRP O O -1.730 -4.043 -3.923 . . . 1.0 . . . . . . . . . . . . A . 10 TRP O . . . . . . . . . c25820_2n7t 1 . 4 . 658 . 1 1 9 LYS C C 0.245 -6.671 -3.736 . . . 1.0 . . . . . . . . . . . . A . 11 LYS C . . . . . . . . . c25820_2n7t 1 . 4 . 659 . 1 1 9 LYS CA C 0.652 -5.299 -3.096 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CA . . . . . . . . . c25820_2n7t 1 . 4 . 660 . 1 1 9 LYS CB C 1.894 -5.365 -2.168 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CB . . . . . . . . . c25820_2n7t 1 . 4 . 661 . 1 1 9 LYS CD C 3.855 -4.409 -3.621 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CD . . . . . . . . . c25820_2n7t 1 . 4 . 662 . 1 1 9 LYS CE C 4.402 -3.271 -2.731 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CE . . . . . . . . . c25820_2n7t 1 . 4 . 663 . 1 1 9 LYS CG C 3.242 -5.613 -2.864 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CG . . . . . . . . . c25820_2n7t 1 . 4 . 664 . 1 1 9 LYS H H -0.274 -4.701 -1.219 . . . 1.0 . . . . . . . . . . . . A . 11 LYS H . . . . . . . . . c25820_2n7t 1 . 4 . 665 . 1 1 9 LYS HA H 0.887 -4.586 -3.909 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HA . . . . . . . . . c25820_2n7t 1 . 4 . 666 . 1 1 9 LYS HB2 H 2.000 -4.443 -1.565 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB2 . . . . . . . . . c25820_2n7t 1 . 4 . 667 . 1 1 9 LYS HB3 H 1.734 -6.170 -1.425 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB3 . . . . . . . . . c25820_2n7t 1 . 4 . 668 . 1 1 9 LYS HD2 H 4.705 -4.802 -4.211 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD2 . . . . . . . . . c25820_2n7t 1 . 4 . 669 . 1 1 9 LYS HD3 H 3.157 -4.021 -4.387 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD3 . . . . . . . . . c25820_2n7t 1 . 4 . 670 . 1 1 9 LYS HE2 H 4.864 -3.697 -1.815 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE2 . . . . . . . . . c25820_2n7t 1 . 4 . 671 . 1 1 9 LYS HE3 H 5.237 -2.772 -3.261 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE3 . . . . . . . . . c25820_2n7t 1 . 4 . 672 . 1 1 9 LYS HG2 H 3.956 -5.957 -2.093 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG2 . . . . . . . . . c25820_2n7t 1 . 4 . 673 . 1 1 9 LYS HG3 H 3.129 -6.472 -3.550 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG3 . . . . . . . . . c25820_2n7t 1 . 4 . 674 . 1 1 9 LYS HZ1 H 2.605 -2.020 -3.031 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ1 . . . . . . . . . c25820_2n7t 1 . 4 . 675 . 1 1 9 LYS N N -0.404 -4.720 -2.234 . . . 1.0 . . . . . . . . . . . . A . 11 LYS N . . . . . . . . . c25820_2n7t 1 . 4 . 676 . 1 1 9 LYS NZ N 3.384 -2.246 -2.406 . . . 1.0 . . . . . . . . . . . . A . 11 LYS NZ . . . . . . . . . c25820_2n7t 1 . 4 . 677 . 1 1 9 LYS O O 0.538 -7.759 -3.246 . . . 1.0 . . . . . . . . . . . . A . 11 LYS O . . . . . . . . . c25820_2n7t 1 . 4 . 678 . 1 1 10 NH2 HN1 H -0.907 -5.779 -5.081 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 HN1 . . . . . . . . . c25820_2n7t 1 . 4 . 679 . 1 1 10 NH2 HN2 H -0.743 -7.610 -5.142 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 HN2 . . . . . . . . . c25820_2n7t 1 . 4 . 680 . 1 1 10 NH2 N N -0.451 -6.671 -4.854 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 N . . . . . . . . . c25820_2n7t 1 . 5 . 681 . 1 1 1 ACE C C 0.651 -4.339 1.070 . . . 1.0 . . . . . . . . . . . . A . 3 ACE C . . . . . . . . . c25820_2n7t 1 . 5 . 682 . 1 1 1 ACE CH3 C 1.058 -5.740 1.484 . . . 1.0 . . . . . . . . . . . . A . 3 ACE CH3 . . . . . . . . . c25820_2n7t 1 . 5 . 683 . 1 1 1 ACE H1 H 0.221 -6.271 1.971 . . . 1.0 . . . . . . . . . . . . A . 3 ACE H1 . . . . . . . . . c25820_2n7t 1 . 5 . 684 . 1 1 1 ACE H2 H 1.359 -6.334 0.602 . . . 1.0 . . . . . . . . . . . . A . 3 ACE H2 . . . . . . . . . c25820_2n7t 1 . 5 . 685 . 1 1 1 ACE H3 H 1.917 -5.727 2.179 . . . 1.0 . . . . . . . . . . . . A . 3 ACE H3 . . . . . . . . . c25820_2n7t 1 . 5 . 686 . 1 1 1 ACE O O 0.567 -4.035 -0.119 . . . 1.0 . . . . . . . . . . . . A . 3 ACE O . . . . . . . . . c25820_2n7t 1 . 5 . 687 . 1 1 2 NLE C C 1.104 -1.076 1.717 . . . 1.0 . . . . . . . . . . . . A . 4 NLE C . . . . . . . . . c25820_2n7t 1 . 5 . 688 . 1 1 2 NLE CA C -0.067 -2.101 1.851 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CA . . . . . . . . . c25820_2n7t 1 . 5 . 689 . 1 1 2 NLE CB C -1.104 -1.716 2.937 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CB . . . . . . . . . c25820_2n7t 1 . 5 . 690 . 1 1 2 NLE CD C -1.783 -1.256 5.397 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CD . . . . . . . . . c25820_2n7t 1 . 5 . 691 . 1 1 2 NLE CE C -2.944 -2.248 5.560 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CE . . . . . . . . . c25820_2n7t 1 . 5 . 692 . 1 1 2 NLE CG C -0.679 -1.726 4.429 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CG . . . . . . . . . c25820_2n7t 1 . 5 . 693 . 1 1 2 NLE H H 0.451 -3.899 3.007 . . . 1.0 . . . . . . . . . . . . A . 4 NLE H . . . . . . . . . c25820_2n7t 1 . 5 . 694 . 1 1 2 NLE HA H -0.652 -2.083 0.905 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HA . . . . . . . . . c25820_2n7t 1 . 5 . 695 . 1 1 2 NLE HB2 H -1.978 -2.368 2.799 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HB2 . . . . . . . . . c25820_2n7t 1 . 5 . 696 . 1 1 2 NLE HB3 H -1.490 -0.714 2.695 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HB3 . . . . . . . . . c25820_2n7t 1 . 5 . 697 . 1 1 2 NLE HD2 H -2.173 -0.269 5.081 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HD2 . . . . . . . . . c25820_2n7t 1 . 5 . 698 . 1 1 2 NLE HD3 H -1.330 -1.072 6.391 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HD3 . . . . . . . . . c25820_2n7t 1 . 5 . 699 . 1 1 2 NLE HE1 H -2.593 -3.238 5.906 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HE1 . . . . . . . . . c25820_2n7t 1 . 5 . 700 . 1 1 2 NLE HE2 H -3.679 -1.883 6.301 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HE2 . . . . . . . . . c25820_2n7t 1 . 5 . 701 . 1 1 2 NLE HE3 H -3.493 -2.402 4.612 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HE3 . . . . . . . . . c25820_2n7t 1 . 5 . 702 . 1 1 2 NLE HG2 H 0.197 -1.064 4.560 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HG2 . . . . . . . . . c25820_2n7t 1 . 5 . 703 . 1 1 2 NLE HG3 H -0.325 -2.731 4.729 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HG3 . . . . . . . . . c25820_2n7t 1 . 5 . 704 . 1 1 2 NLE N N 0.389 -3.498 2.069 . . . 1.0 . . . . . . . . . . . . A . 4 NLE N . . . . . . . . . c25820_2n7t 1 . 5 . 705 . 1 1 2 NLE O O 1.881 -0.843 2.648 . . . 1.0 . . . . . . . . . . . . A . 4 NLE O . . . . . . . . . c25820_2n7t 1 . 5 . 706 . 1 1 3 ASP C C 1.705 1.982 0.260 . . . 1.0 . . . . . . . . . . . . A . 5 ASP C . . . . . . . . . c25820_2n7t 1 . 5 . 707 . 1 1 3 ASP CA C 2.269 0.530 0.205 . . . 1.0 . . . . . . . . . . . . A . 5 ASP CA . . . . . . . . . c25820_2n7t 1 . 5 . 708 . 1 1 3 ASP CB C 2.813 0.197 -1.210 . . . 1.0 . . . . . . . . . . . . A . 5 ASP CB . . . . . . . . . c25820_2n7t 1 . 5 . 709 . 1 1 3 ASP CG C 3.706 -1.046 -1.300 . . . 1.0 . . . . . . . . . . . . A . 5 ASP CG . . . . . . . . . c25820_2n7t 1 . 5 . 710 . 1 1 3 ASP H H 0.508 -0.771 -0.161 . . . 1.0 . . . . . . . . . . . . A . 5 ASP H . . . . . . . . . c25820_2n7t 1 . 5 . 711 . 1 1 3 ASP HA H 3.116 0.442 0.920 . . . 1.0 . . . . . . . . . . . . A . 5 ASP HA . . . . . . . . . c25820_2n7t 1 . 5 . 712 . 1 1 3 ASP HB2 H 1.988 0.143 -1.948 . . . 1.0 . . . . . . . . . . . . A . 5 ASP HB2 . . . . . . . . . c25820_2n7t 1 . 5 . 713 . 1 1 3 ASP HB3 H 3.429 1.042 -1.565 . . . 1.0 . . . . . . . . . . . . A . 5 ASP HB3 . . . . . . . . . c25820_2n7t 1 . 5 . 714 . 1 1 3 ASP N N 1.196 -0.449 0.539 . . . 1.0 . . . . . . . . . . . . A . 5 ASP N . . . . . . . . . c25820_2n7t 1 . 5 . 715 . 1 1 3 ASP O O 0.752 2.303 -0.458 . . . 1.0 . . . . . . . . . . . . A . 5 ASP O . . . . . . . . . c25820_2n7t 1 . 5 . 716 . 1 1 3 ASP OD1 O 4.918 -0.947 -1.110 . . . 1.0 . . . . . . . . . . . . A . 5 ASP OD1 . . . . . . . . . c25820_2n7t 1 . 5 . 717 . 1 1 4 TRP C C 1.709 5.130 -0.020 . . . 1.0 . . . . . . . . . . . . A . 6 TRP C . . . . . . . . . c25820_2n7t 1 . 5 . 718 . 1 1 4 TRP CA C 1.804 4.262 1.300 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CA . . . . . . . . . c25820_2n7t 1 . 5 . 719 . 1 1 4 TRP CB C 2.733 4.908 2.371 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CB . . . . . . . . . c25820_2n7t 1 . 5 . 720 . 1 1 4 TRP CD1 C 2.573 7.528 2.266 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CD1 . . . . . . . . . c25820_2n7t 1 . 5 . 721 . 1 1 4 TRP CD2 C 1.465 6.595 3.956 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CD2 . . . . . . . . . c25820_2n7t 1 . 5 . 722 . 1 1 4 TRP CE2 C 1.256 7.999 3.964 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CE2 . . . . . . . . . c25820_2n7t 1 . 5 . 723 . 1 1 4 TRP CE3 C 0.818 5.770 4.909 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CE3 . . . . . . . . . c25820_2n7t 1 . 5 . 724 . 1 1 4 TRP CG C 2.292 6.289 2.887 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CG . . . . . . . . . c25820_2n7t 1 . 5 . 725 . 1 1 4 TRP CH2 C -0.227 7.756 5.857 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CH2 . . . . . . . . . c25820_2n7t 1 . 5 . 726 . 1 1 4 TRP CZ2 C 0.398 8.584 4.923 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CZ2 . . . . . . . . . c25820_2n7t 1 . 5 . 727 . 1 1 4 TRP CZ3 C -0.019 6.370 5.851 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CZ3 . . . . . . . . . c25820_2n7t 1 . 5 . 728 . 1 1 4 TRP H H 3.100 2.494 1.609 . . . 1.0 . . . . . . . . . . . . A . 6 TRP H . . . . . . . . . c25820_2n7t 1 . 5 . 729 . 1 1 4 TRP HA H 0.799 4.171 1.751 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HA . . . . . . . . . c25820_2n7t 1 . 5 . 730 . 1 1 4 TRP HB2 H 2.828 4.235 3.246 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HB2 . . . . . . . . . c25820_2n7t 1 . 5 . 731 . 1 1 4 TRP HB3 H 3.763 4.989 1.971 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HB3 . . . . . . . . . c25820_2n7t 1 . 5 . 732 . 1 1 4 TRP HD1 H 3.123 7.631 1.342 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HD1 . . . . . . . . . c25820_2n7t 1 . 5 . 733 . 1 1 4 TRP HE1 H 1.948 9.597 2.671 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HE1 . . . . . . . . . c25820_2n7t 1 . 5 . 734 . 1 1 4 TRP HE3 H 0.963 4.702 4.906 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HE3 . . . . . . . . . c25820_2n7t 1 . 5 . 735 . 1 1 4 TRP HH2 H -0.886 8.190 6.596 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HH2 . . . . . . . . . c25820_2n7t 1 . 5 . 736 . 1 1 4 TRP HZ2 H 0.224 9.649 4.927 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HZ2 . . . . . . . . . c25820_2n7t 1 . 5 . 737 . 1 1 4 TRP HZ3 H -0.519 5.757 6.585 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HZ3 . . . . . . . . . c25820_2n7t 1 . 5 . 738 . 1 1 4 TRP N N 2.293 2.862 1.095 . . . 1.0 . . . . . . . . . . . . A . 6 TRP N . . . . . . . . . c25820_2n7t 1 . 5 . 739 . 1 1 4 TRP NE1 N 1.941 8.602 2.923 . . . 1.0 . . . . . . . . . . . . A . 6 TRP NE1 . . . . . . . . . c25820_2n7t 1 . 5 . 740 . 1 1 4 TRP O O 2.676 5.113 -0.792 . . . 1.0 . . . . . . . . . . . . A . 6 TRP O . . . . . . . . . c25820_2n7t 1 . 5 . 741 . 1 1 5 PRO C C -1.718 5.120 0.704 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c25820_2n7t 1 . 5 . 742 . 1 1 5 PRO CA C -0.536 6.151 0.603 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c25820_2n7t 1 . 5 . 743 . 1 1 5 PRO CB C -0.977 7.540 0.097 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c25820_2n7t 1 . 5 . 744 . 1 1 5 PRO CD C 0.575 6.732 -1.543 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c25820_2n7t 1 . 5 . 745 . 1 1 5 PRO CG C -0.732 7.512 -1.413 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c25820_2n7t 1 . 5 . 746 . 1 1 5 PRO HA H -0.181 6.288 1.639 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c25820_2n7t 1 . 5 . 747 . 1 1 5 PRO HB2 H -2.020 7.794 0.358 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB2 . . . . . . . . . c25820_2n7t 1 . 5 . 748 . 1 1 5 PRO HB3 H -0.350 8.324 0.566 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c25820_2n7t 1 . 5 . 749 . 1 1 5 PRO HD2 H 0.607 6.126 -2.469 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD2 . . . . . . . . . c25820_2n7t 1 . 5 . 750 . 1 1 5 PRO HD3 H 1.445 7.418 -1.565 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c25820_2n7t 1 . 5 . 751 . 1 1 5 PRO HG2 H -1.554 6.974 -1.925 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG2 . . . . . . . . . c25820_2n7t 1 . 5 . 752 . 1 1 5 PRO HG3 H -0.673 8.522 -1.858 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c25820_2n7t 1 . 5 . 753 . 1 1 5 PRO N N 0.610 5.888 -0.329 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c25820_2n7t 1 . 5 . 754 . 1 1 5 PRO O O -2.723 5.416 1.354 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c25820_2n7t 1 . 5 . 755 . 1 1 6 . C C -2.841 2.073 -1.074 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 C . . . . . . . . . c25820_2n7t 1 . 5 . 756 . 1 1 6 . CA C -2.565 2.800 0.283 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 CA . . . . . . . . . c25820_2n7t 1 . 5 . 757 . 1 1 6 . CB C -2.064 1.761 1.338 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 CB . . . . . . . . . c25820_2n7t 1 . 5 . 758 . 1 1 6 . CD1 C -2.882 2.741 3.532 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 CD1 . . . . . . . . . c25820_2n7t 1 . 5 . 759 . 1 1 6 . CD2 C -0.610 1.938 3.408 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 CD2 . . . . . . . . . c25820_2n7t 1 . 5 . 760 . 1 1 6 . CE1 C -2.727 3.031 4.884 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 CE1 . . . . . . . . . c25820_2n7t 1 . 5 . 761 . 1 1 6 . CE2 C -0.430 2.197 4.764 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 CE2 . . . . . . . . . c25820_2n7t 1 . 5 . 762 . 1 1 6 . CE3 C 0.773 1.898 5.405 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 CE3 . . . . . . . . . c25820_2n7t 1 . 5 . 763 . 1 1 6 . CE4 C 0.920 2.150 6.766 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 CE4 . . . . . . . . . c25820_2n7t 1 . 5 . 764 . 1 1 6 . CG C -1.834 2.200 2.792 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 CG . . . . . . . . . c25820_2n7t 1 . 5 . 765 . 1 1 6 . CZ1 C -1.515 2.757 5.522 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 CZ1 . . . . . . . . . c25820_2n7t 1 . 5 . 766 . 1 1 6 . CZ2 C -1.342 2.995 6.887 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 CZ2 . . . . . . . . . c25820_2n7t 1 . 5 . 767 . 1 1 6 . CZ3 C -0.129 2.696 7.502 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 CZ3 . . . . . . . . . c25820_2n7t 1 . 5 . 768 . 1 1 6 . H H -0.661 3.759 -0.293 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 H . . . . . . . . . c25820_2n7t 1 . 5 . 769 . 1 1 6 . HA H -3.545 3.194 0.620 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 HA . . . . . . . . . c25820_2n7t 1 . 5 . 770 . 1 1 6 . HB1 H -1.143 1.285 0.956 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 HB1 . . . . . . . . . c25820_2n7t 1 . 5 . 771 . 1 1 6 . HB2 H -2.780 0.922 1.364 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 HB2 . . . . . . . . . c25820_2n7t 1 . 5 . 772 . 1 1 6 . HD1 H -3.824 2.918 3.037 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 HD1 . . . . . . . . . c25820_2n7t 1 . 5 . 773 . 1 1 6 . HD2 H 0.182 1.479 2.834 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 HD2 . . . . . . . . . c25820_2n7t 1 . 5 . 774 . 1 1 6 . HE1 H -3.562 3.449 5.428 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 HE1 . . . . . . . . . c25820_2n7t 1 . 5 . 775 . 1 1 6 . HE3 H 1.601 1.464 4.860 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 HE3 . . . . . . . . . c25820_2n7t 1 . 5 . 776 . 1 1 6 . HE4 H 1.853 1.918 7.257 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 HE4 . . . . . . . . . c25820_2n7t 1 . 5 . 777 . 1 1 6 . HZ2 H -2.141 3.412 7.485 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 HZ2 . . . . . . . . . c25820_2n7t 1 . 5 . 778 . 1 1 6 . HZ23 H -0.002 2.883 8.558 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 HZ23 . . . . . . . . . c25820_2n7t 1 . 5 . 779 . 1 1 6 . N N -1.585 3.914 0.130 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 N . . . . . . . . . c25820_2n7t 1 . 5 . 780 . 1 1 6 . O O -3.992 1.959 -1.499 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 O . . . . . . . . . c25820_2n7t 1 . 5 . 781 . 1 1 7 ARG C C -1.593 -0.884 -2.262 . . . 1.0 . . . . . . . . . . . . A . 9 ARG C . . . . . . . . . c25820_2n7t 1 . 5 . 782 . 1 1 7 ARG CA C -1.893 0.545 -2.814 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CA . . . . . . . . . c25820_2n7t 1 . 5 . 783 . 1 1 7 ARG CB C -0.878 0.917 -3.922 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CB . . . . . . . . . c25820_2n7t 1 . 5 . 784 . 1 1 7 ARG CD C -0.099 2.576 -5.757 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CD . . . . . . . . . c25820_2n7t 1 . 5 . 785 . 1 1 7 ARG CG C -1.146 2.244 -4.677 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CG . . . . . . . . . c25820_2n7t 1 . 5 . 786 . 1 1 7 ARG CZ C 0.563 1.670 -7.997 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CZ . . . . . . . . . c25820_2n7t 1 . 5 . 787 . 1 1 7 ARG H H -0.905 1.661 -1.190 . . . 1.0 . . . . . . . . . . . . A . 9 ARG H . . . . . . . . . c25820_2n7t 1 . 5 . 788 . 1 1 7 ARG HA H -2.909 0.575 -3.263 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HA . . . . . . . . . c25820_2n7t 1 . 5 . 789 . 1 1 7 ARG HB2 H 0.140 0.919 -3.495 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HB2 . . . . . . . . . c25820_2n7t 1 . 5 . 790 . 1 1 7 ARG HB3 H -0.856 0.102 -4.669 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HB3 . . . . . . . . . c25820_2n7t 1 . 5 . 791 . 1 1 7 ARG HD2 H -0.232 3.627 -6.082 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HD2 . . . . . . . . . c25820_2n7t 1 . 5 . 792 . 1 1 7 ARG HD3 H 0.922 2.514 -5.328 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HD3 . . . . . . . . . c25820_2n7t 1 . 5 . 793 . 1 1 7 ARG HG2 H -2.157 2.230 -5.132 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HG2 . . . . . . . . . c25820_2n7t 1 . 5 . 794 . 1 1 7 ARG HG3 H -1.174 3.076 -3.947 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HG3 . . . . . . . . . c25820_2n7t 1 . 5 . 795 . 1 1 7 ARG HH11 H 1.732 3.114 -7.380 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH11 . . . . . . . . . c25820_2n7t 1 . 5 . 796 . 1 1 7 ARG HH12 H 2.127 2.367 -9.017 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH12 . . . . . . . . . c25820_2n7t 1 . 5 . 797 . 1 1 7 ARG HH21 H -0.518 0.241 -8.713 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH21 . . . . . . . . . c25820_2n7t 1 . 5 . 798 . 1 1 7 ARG HH22 H 0.905 0.800 -9.752 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH22 . . . . . . . . . c25820_2n7t 1 . 5 . 799 . 1 1 7 ARG N N -1.787 1.517 -1.699 . . . 1.0 . . . . . . . . . . . . A . 9 ARG N . . . . . . . . . c25820_2n7t 1 . 5 . 800 . 1 1 7 ARG NE N -0.236 1.676 -6.933 . . . 1.0 . . . . . . . . . . . . A . 9 ARG NE . . . . . . . . . c25820_2n7t 1 . 5 . 801 . 1 1 7 ARG NH1 N 1.588 2.466 -8.157 . . . 1.0 . . . . . . . . . . . . A . 9 ARG NH1 . . . . . . . . . c25820_2n7t 1 . 5 . 802 . 1 1 7 ARG NH2 N 0.299 0.815 -8.931 . . . 1.0 . . . . . . . . . . . . A . 9 ARG NH2 . . . . . . . . . c25820_2n7t 1 . 5 . 803 . 1 1 7 ARG O O -0.558 -1.129 -1.628 . . . 1.0 . . . . . . . . . . . . A . 9 ARG O . . . . . . . . . c25820_2n7t 1 . 5 . 804 . 1 1 8 TRP C C -1.664 -4.141 -3.056 . . . 1.0 . . . . . . . . . . . . A . 10 TRP C . . . . . . . . . c25820_2n7t 1 . 5 . 805 . 1 1 8 TRP CA C -2.380 -3.222 -2.015 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CA . . . . . . . . . c25820_2n7t 1 . 5 . 806 . 1 1 8 TRP CB C -3.802 -3.715 -1.645 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CB . . . . . . . . . c25820_2n7t 1 . 5 . 807 . 1 1 8 TRP CD1 C -4.152 -6.282 -1.730 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CD1 . . . . . . . . . c25820_2n7t 1 . 5 . 808 . 1 1 8 TRP CD2 C -3.518 -5.516 0.252 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CD2 . . . . . . . . . c25820_2n7t 1 . 5 . 809 . 1 1 8 TRP CE2 C -3.614 -6.928 0.303 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CE2 . . . . . . . . . c25820_2n7t 1 . 5 . 810 . 1 1 8 TRP CE3 C -3.104 -4.778 1.384 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CE3 . . . . . . . . . c25820_2n7t 1 . 5 . 811 . 1 1 8 TRP CG C -3.850 -5.111 -1.022 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CG . . . . . . . . . c25820_2n7t 1 . 5 . 812 . 1 1 8 TRP CH2 C -2.879 -6.873 2.609 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CH2 . . . . . . . . . c25820_2n7t 1 . 5 . 813 . 1 1 8 TRP CZ2 C -3.287 -7.615 1.496 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CZ2 . . . . . . . . . c25820_2n7t 1 . 5 . 814 . 1 1 8 TRP CZ3 C -2.791 -5.474 2.553 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CZ3 . . . . . . . . . c25820_2n7t 1 . 5 . 815 . 1 1 8 TRP H H -3.247 -1.548 -3.155 . . . 1.0 . . . . . . . . . . . . A . 10 TRP H . . . . . . . . . c25820_2n7t 1 . 5 . 816 . 1 1 8 TRP HA H -1.805 -3.218 -1.064 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HA . . . . . . . . . c25820_2n7t 1 . 5 . 817 . 1 1 8 TRP HB2 H -4.276 -3.017 -0.937 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HB2 . . . . . . . . . c25820_2n7t 1 . 5 . 818 . 1 1 8 TRP HB3 H -4.445 -3.697 -2.542 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HB3 . . . . . . . . . c25820_2n7t 1 . 5 . 819 . 1 1 8 TRP HD1 H -4.402 -6.257 -2.781 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HD1 . . . . . . . . . c25820_2n7t 1 . 5 . 820 . 1 1 8 TRP HE1 H -4.166 -8.413 -1.187 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HE1 . . . . . . . . . c25820_2n7t 1 . 5 . 821 . 1 1 8 TRP HE3 H -3.037 -3.703 1.329 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HE3 . . . . . . . . . c25820_2n7t 1 . 5 . 822 . 1 1 8 TRP HH2 H -2.627 -7.385 3.527 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HH2 . . . . . . . . . c25820_2n7t 1 . 5 . 823 . 1 1 8 TRP HZ2 H -3.349 -8.692 1.544 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HZ2 . . . . . . . . . c25820_2n7t 1 . 5 . 824 . 1 1 8 TRP HZ3 H -2.473 -4.926 3.428 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HZ3 . . . . . . . . . c25820_2n7t 1 . 5 . 825 . 1 1 8 TRP N N -2.508 -1.829 -2.508 . . . 1.0 . . . . . . . . . . . . A . 10 TRP N . . . . . . . . . c25820_2n7t 1 . 5 . 826 . 1 1 8 TRP NE1 N -4.016 -7.432 -0.925 . . . 1.0 . . . . . . . . . . . . A . 10 TRP NE1 . . . . . . . . . c25820_2n7t 1 . 5 . 827 . 1 1 8 TRP O O -2.127 -4.329 -4.185 . . . 1.0 . . . . . . . . . . . . A . 10 TRP O . . . . . . . . . c25820_2n7t 1 . 5 . 828 . 1 1 9 LYS C C -0.324 -7.253 -3.142 . . . 1.0 . . . . . . . . . . . . A . 11 LYS C . . . . . . . . . c25820_2n7t 1 . 5 . 829 . 1 1 9 LYS CA C 0.174 -5.792 -3.395 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CA . . . . . . . . . c25820_2n7t 1 . 5 . 830 . 1 1 9 LYS CB C 1.685 -5.618 -3.094 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CB . . . . . . . . . c25820_2n7t 1 . 5 . 831 . 1 1 9 LYS CD C 3.743 -4.021 -3.192 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CD . . . . . . . . . c25820_2n7t 1 . 5 . 832 . 1 1 9 LYS CE C 3.804 -3.483 -1.745 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CE . . . . . . . . . c25820_2n7t 1 . 5 . 833 . 1 1 9 LYS CG C 2.337 -4.363 -3.729 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CG . . . . . . . . . c25820_2n7t 1 . 5 . 834 . 1 1 9 LYS H H -0.229 -4.423 -1.696 . . . 1.0 . . . . . . . . . . . . A . 11 LYS H . . . . . . . . . c25820_2n7t 1 . 5 . 835 . 1 1 9 LYS HA H 0.039 -5.613 -4.480 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HA . . . . . . . . . c25820_2n7t 1 . 5 . 836 . 1 1 9 LYS HB2 H 1.836 -5.623 -1.998 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB2 . . . . . . . . . c25820_2n7t 1 . 5 . 837 . 1 1 9 LYS HB3 H 2.236 -6.505 -3.454 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB3 . . . . . . . . . c25820_2n7t 1 . 5 . 838 . 1 1 9 LYS HD2 H 4.394 -4.912 -3.276 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD2 . . . . . . . . . c25820_2n7t 1 . 5 . 839 . 1 1 9 LYS HD3 H 4.211 -3.272 -3.861 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD3 . . . . . . . . . c25820_2n7t 1 . 5 . 840 . 1 1 9 LYS HE2 H 3.357 -4.220 -1.051 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE2 . . . . . . . . . c25820_2n7t 1 . 5 . 841 . 1 1 9 LYS HE3 H 4.865 -3.407 -1.438 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE3 . . . . . . . . . c25820_2n7t 1 . 5 . 842 . 1 1 9 LYS HG2 H 2.399 -4.506 -4.824 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG2 . . . . . . . . . c25820_2n7t 1 . 5 . 843 . 1 1 9 LYS HG3 H 1.683 -3.480 -3.596 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG3 . . . . . . . . . c25820_2n7t 1 . 5 . 844 . 1 1 9 LYS HZ1 H 2.069 -2.120 -1.659 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ1 . . . . . . . . . c25820_2n7t 1 . 5 . 845 . 1 1 9 LYS N N -0.568 -4.763 -2.613 . . . 1.0 . . . . . . . . . . . . A . 11 LYS N . . . . . . . . . c25820_2n7t 1 . 5 . 846 . 1 1 9 LYS NZ N 3.090 -2.193 -1.598 . . . 1.0 . . . . . . . . . . . . A . 11 LYS NZ . . . . . . . . . c25820_2n7t 1 . 5 . 847 . 1 1 9 LYS O O -0.572 -8.009 -4.076 . . . 1.0 . . . . . . . . . . . . A . 11 LYS O . . . . . . . . . c25820_2n7t 1 . 5 . 848 . 1 1 10 NH2 HN1 H -0.471 -7.047 -1.164 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 HN1 . . . . . . . . . c25820_2n7t 1 . 5 . 849 . 1 1 10 NH2 HN2 H -0.901 -8.670 -1.912 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 HN2 . . . . . . . . . c25820_2n7t 1 . 5 . 850 . 1 1 10 NH2 N N -0.478 -7.738 -1.920 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 N . . . . . . . . . c25820_2n7t 1 . 6 . 851 . 1 1 1 ACE C C 0.642 -4.315 1.446 . . . 1.0 . . . . . . . . . . . . A . 3 ACE C . . . . . . . . . c25820_2n7t 1 . 6 . 852 . 1 1 1 ACE CH3 C 1.010 -5.694 1.956 . . . 1.0 . . . . . . . . . . . . A . 3 ACE CH3 . . . . . . . . . c25820_2n7t 1 . 6 . 853 . 1 1 1 ACE H1 H 1.975 -5.678 2.496 . . . 1.0 . . . . . . . . . . . . A . 3 ACE H1 . . . . . . . . . c25820_2n7t 1 . 6 . 854 . 1 1 1 ACE H2 H 0.236 -6.096 2.633 . . . 1.0 . . . . . . . . . . . . A . 3 ACE H2 . . . . . . . . . c25820_2n7t 1 . 6 . 855 . 1 1 1 ACE H3 H 1.110 -6.405 1.117 . . . 1.0 . . . . . . . . . . . . A . 3 ACE H3 . . . . . . . . . c25820_2n7t 1 . 6 . 856 . 1 1 1 ACE O O 0.552 -4.093 0.240 . . . 1.0 . . . . . . . . . . . . A . 3 ACE O . . . . . . . . . c25820_2n7t 1 . 6 . 857 . 1 1 2 NLE C C 1.160 -1.001 1.909 . . . 1.0 . . . . . . . . . . . . A . 4 NLE C . . . . . . . . . c25820_2n7t 1 . 6 . 858 . 1 1 2 NLE CA C -0.021 -2.011 2.068 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CA . . . . . . . . . c25820_2n7t 1 . 6 . 859 . 1 1 2 NLE CB C -1.087 -1.564 3.099 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CB . . . . . . . . . c25820_2n7t 1 . 6 . 860 . 1 1 2 NLE CD C -1.847 -0.978 5.511 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CD . . . . . . . . . c25820_2n7t 1 . 6 . 861 . 1 1 2 NLE CE C -3.019 -1.956 5.683 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CE . . . . . . . . . c25820_2n7t 1 . 6 . 862 . 1 1 2 NLE CG C -0.716 -1.499 4.604 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CG . . . . . . . . . c25820_2n7t 1 . 6 . 863 . 1 1 2 NLE H H 0.467 -3.733 3.346 . . . 1.0 . . . . . . . . . . . . A . 4 NLE H . . . . . . . . . c25820_2n7t 1 . 6 . 864 . 1 1 2 NLE HA H -0.577 -2.043 1.105 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HA . . . . . . . . . c25820_2n7t 1 . 6 . 865 . 1 1 2 NLE HB2 H -1.962 -2.216 2.963 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HB2 . . . . . . . . . c25820_2n7t 1 . 6 . 866 . 1 1 2 NLE HB3 H -1.456 -0.573 2.794 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HB3 . . . . . . . . . c25820_2n7t 1 . 6 . 867 . 1 1 2 NLE HD2 H -2.220 -0.005 5.136 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HD2 . . . . . . . . . c25820_2n7t 1 . 6 . 868 . 1 1 2 NLE HD3 H -1.427 -0.750 6.510 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HD3 . . . . . . . . . c25820_2n7t 1 . 6 . 869 . 1 1 2 NLE HE1 H -3.540 -2.153 4.728 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HE1 . . . . . . . . . c25820_2n7t 1 . 6 . 870 . 1 1 2 NLE HE2 H -2.686 -2.930 6.087 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HE2 . . . . . . . . . c25820_2n7t 1 . 6 . 871 . 1 1 2 NLE HE3 H -3.774 -1.554 6.383 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HE3 . . . . . . . . . c25820_2n7t 1 . 6 . 872 . 1 1 2 NLE HG2 H 0.158 -0.832 4.731 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HG2 . . . . . . . . . c25820_2n7t 1 . 6 . 873 . 1 1 2 NLE HG3 H -0.374 -2.487 4.966 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HG3 . . . . . . . . . c25820_2n7t 1 . 6 . 874 . 1 1 2 NLE N N 0.422 -3.394 2.383 . . . 1.0 . . . . . . . . . . . . A . 4 NLE N . . . . . . . . . c25820_2n7t 1 . 6 . 875 . 1 1 2 NLE O O 1.866 -0.663 2.863 . . . 1.0 . . . . . . . . . . . . A . 4 NLE O . . . . . . . . . c25820_2n7t 1 . 6 . 876 . 1 1 3 ASP C C 1.687 1.977 0.396 . . . 1.0 . . . . . . . . . . . . A . 5 ASP C . . . . . . . . . c25820_2n7t 1 . 6 . 877 . 1 1 3 ASP CA C 2.342 0.562 0.367 . . . 1.0 . . . . . . . . . . . . A . 5 ASP CA . . . . . . . . . c25820_2n7t 1 . 6 . 878 . 1 1 3 ASP CB C 2.938 0.275 -1.038 . . . 1.0 . . . . . . . . . . . . A . 5 ASP CB . . . . . . . . . c25820_2n7t 1 . 6 . 879 . 1 1 3 ASP CG C 4.015 -0.817 -1.109 . . . 1.0 . . . . . . . . . . . . A . 5 ASP CG . . . . . . . . . c25820_2n7t 1 . 6 . 880 . 1 1 3 ASP H H 0.655 -0.837 -0.016 . . . 1.0 . . . . . . . . . . . . A . 5 ASP H . . . . . . . . . c25820_2n7t 1 . 6 . 881 . 1 1 3 ASP HA H 3.172 0.535 1.105 . . . 1.0 . . . . . . . . . . . . A . 5 ASP HA . . . . . . . . . c25820_2n7t 1 . 6 . 882 . 1 1 3 ASP HB2 H 2.138 0.074 -1.778 . . . 1.0 . . . . . . . . . . . . A . 5 ASP HB2 . . . . . . . . . c25820_2n7t 1 . 6 . 883 . 1 1 3 ASP HB3 H 3.420 1.191 -1.423 . . . 1.0 . . . . . . . . . . . . A . 5 ASP HB3 . . . . . . . . . c25820_2n7t 1 . 6 . 884 . 1 1 3 ASP N N 1.334 -0.491 0.682 . . . 1.0 . . . . . . . . . . . . A . 5 ASP N . . . . . . . . . c25820_2n7t 1 . 6 . 885 . 1 1 3 ASP O O 0.625 2.182 -0.196 . . . 1.0 . . . . . . . . . . . . A . 5 ASP O . . . . . . . . . c25820_2n7t 1 . 6 . 886 . 1 1 3 ASP OD1 O 5.207 -0.511 -1.111 . . . 1.0 . . . . . . . . . . . . A . 5 ASP OD1 . . . . . . . . . c25820_2n7t 1 . 6 . 887 . 1 1 4 TRP C C 1.697 5.071 -0.318 . . . 1.0 . . . . . . . . . . . . A . 6 TRP C . . . . . . . . . c25820_2n7t 1 . 6 . 888 . 1 1 4 TRP CA C 1.818 4.374 1.100 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CA . . . . . . . . . c25820_2n7t 1 . 6 . 889 . 1 1 4 TRP CB C 2.756 5.149 2.071 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CB . . . . . . . . . c25820_2n7t 1 . 6 . 890 . 1 1 4 TRP CD1 C 2.594 7.752 1.772 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CD1 . . . . . . . . . c25820_2n7t 1 . 6 . 891 . 1 1 4 TRP CD2 C 1.361 6.922 3.429 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CD2 . . . . . . . . . c25820_2n7t 1 . 6 . 892 . 1 1 4 TRP CE2 C 1.141 8.319 3.324 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CE2 . . . . . . . . . c25820_2n7t 1 . 6 . 893 . 1 1 4 TRP CE3 C 0.633 6.150 4.369 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CE3 . . . . . . . . . c25820_2n7t 1 . 6 . 894 . 1 1 4 TRP CG C 2.273 6.557 2.453 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CG . . . . . . . . . c25820_2n7t 1 . 6 . 895 . 1 1 4 TRP CH2 C -0.510 8.178 5.085 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CH2 . . . . . . . . . c25820_2n7t 1 . 6 . 896 . 1 1 4 TRP CZ2 C 0.193 8.953 4.160 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CZ2 . . . . . . . . . c25820_2n7t 1 . 6 . 897 . 1 1 4 TRP CZ3 C -0.293 6.798 5.187 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CZ3 . . . . . . . . . c25820_2n7t 1 . 6 . 898 . 1 1 4 TRP H H 3.235 2.708 1.444 . . . 1.0 . . . . . . . . . . . . A . 6 TRP H . . . . . . . . . c25820_2n7t 1 . 6 . 899 . 1 1 4 TRP HA H 0.824 4.329 1.582 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HA . . . . . . . . . c25820_2n7t 1 . 6 . 900 . 1 1 4 TRP HB2 H 2.890 4.576 3.010 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HB2 . . . . . . . . . c25820_2n7t 1 . 6 . 901 . 1 1 4 TRP HB3 H 3.772 5.217 1.637 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HB3 . . . . . . . . . c25820_2n7t 1 . 6 . 902 . 1 1 4 TRP HD1 H 3.225 7.797 0.895 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HD1 . . . . . . . . . c25820_2n7t 1 . 6 . 903 . 1 1 4 TRP HE1 H 1.927 9.836 1.987 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HE1 . . . . . . . . . c25820_2n7t 1 . 6 . 904 . 1 1 4 TRP HE3 H 0.783 5.085 4.445 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HE3 . . . . . . . . . c25820_2n7t 1 . 6 . 905 . 1 1 4 TRP HH2 H -1.240 8.650 5.728 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HH2 . . . . . . . . . c25820_2n7t 1 . 6 . 906 . 1 1 4 TRP HZ2 H 0.008 10.014 4.076 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HZ2 . . . . . . . . . c25820_2n7t 1 . 6 . 907 . 1 1 4 TRP HZ3 H -0.859 6.224 5.907 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HZ3 . . . . . . . . . c25820_2n7t 1 . 6 . 908 . 1 1 4 TRP N N 2.327 2.968 1.045 . . . 1.0 . . . . . . . . . . . . A . 6 TRP N . . . . . . . . . c25820_2n7t 1 . 6 . 909 . 1 1 4 TRP NE1 N 1.905 8.860 2.304 . . . 1.0 . . . . . . . . . . . . A . 6 TRP NE1 . . . . . . . . . c25820_2n7t 1 . 6 . 910 . 1 1 4 TRP O O 2.662 4.969 -1.085 . . . 1.0 . . . . . . . . . . . . A . 6 TRP O . . . . . . . . . c25820_2n7t 1 . 6 . 911 . 1 1 5 PRO C C -1.808 5.198 0.181 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c25820_2n7t 1 . 6 . 912 . 1 1 5 PRO CA C -0.559 6.153 0.168 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c25820_2n7t 1 . 6 . 913 . 1 1 5 PRO CB C -0.842 7.571 -0.374 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c25820_2n7t 1 . 6 . 914 . 1 1 5 PRO CD C 0.584 6.522 -2.000 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c25820_2n7t 1 . 6 . 915 . 1 1 5 PRO CG C -0.611 7.468 -1.883 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c25820_2n7t 1 . 6 . 916 . 1 1 5 PRO HA H -0.251 6.269 1.221 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c25820_2n7t 1 . 6 . 917 . 1 1 5 PRO HB2 H -1.849 7.946 -0.119 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB2 . . . . . . . . . c25820_2n7t 1 . 6 . 918 . 1 1 5 PRO HB3 H -0.129 8.294 0.071 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c25820_2n7t 1 . 6 . 919 . 1 1 5 PRO HD2 H 0.490 5.841 -2.868 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD2 . . . . . . . . . c25820_2n7t 1 . 6 . 920 . 1 1 5 PRO HD3 H 1.523 7.097 -2.131 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c25820_2n7t 1 . 6 . 921 . 1 1 5 PRO HG2 H -1.496 7.024 -2.376 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG2 . . . . . . . . . c25820_2n7t 1 . 6 . 922 . 1 1 5 PRO HG3 H -0.429 8.450 -2.358 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c25820_2n7t 1 . 6 . 923 . 1 1 5 PRO N N 0.590 5.779 -0.720 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c25820_2n7t 1 . 6 . 924 . 1 1 5 PRO O O -2.959 5.640 0.108 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c25820_2n7t 1 . 6 . 925 . 1 1 6 . C C -2.905 2.115 -0.874 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 C . . . . . . . . . c25820_2n7t 1 . 6 . 926 . 1 1 6 . CA C -2.639 2.854 0.480 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 CA . . . . . . . . . c25820_2n7t 1 . 6 . 927 . 1 1 6 . CB C -2.228 1.833 1.591 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 CB . . . . . . . . . c25820_2n7t 1 . 6 . 928 . 1 1 6 . CD1 C -2.918 2.925 3.775 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 CD1 . . . . . . . . . c25820_2n7t 1 . 6 . 929 . 1 1 6 . CD2 C -0.644 2.150 3.542 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 CD2 . . . . . . . . . c25820_2n7t 1 . 6 . 930 . 1 1 6 . CE1 C -2.668 3.322 5.086 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 CE1 . . . . . . . . . c25820_2n7t 1 . 6 . 931 . 1 1 6 . CE2 C -0.367 2.524 4.854 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 CE2 . . . . . . . . . c25820_2n7t 1 . 6 . 932 . 1 1 6 . CE3 C 0.895 2.318 5.414 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 CE3 . . . . . . . . . c25820_2n7t 1 . 6 . 933 . 1 1 6 . CE4 C 1.146 2.704 6.726 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 CE4 . . . . . . . . . c25820_2n7t 1 . 6 . 934 . 1 1 6 . CG C -1.916 2.343 3.004 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 CG . . . . . . . . . c25820_2n7t 1 . 6 . 935 . 1 1 6 . CZ1 C -1.404 3.125 5.647 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 CZ1 . . . . . . . . . c25820_2n7t 1 . 6 . 936 . 1 1 6 . CZ2 C -1.126 3.497 6.963 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 CZ2 . . . . . . . . . c25820_2n7t 1 . 6 . 937 . 1 1 6 . CZ3 C 0.144 3.290 7.496 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 CZ3 . . . . . . . . . c25820_2n7t 1 . 6 . 938 . 1 1 6 . H H -0.592 3.614 0.212 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 H . . . . . . . . . c25820_2n7t 1 . 6 . 939 . 1 1 6 . HA H -3.595 3.322 0.788 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 HA . . . . . . . . . c25820_2n7t 1 . 6 . 940 . 1 1 6 . HB1 H -1.363 1.244 1.232 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 HB1 . . . . . . . . . c25820_2n7t 1 . 6 . 941 . 1 1 6 . HB2 H -3.020 1.071 1.678 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 HB2 . . . . . . . . . c25820_2n7t 1 . 6 . 942 . 1 1 6 . HD1 H -3.898 3.048 3.339 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 HD1 . . . . . . . . . c25820_2n7t 1 . 6 . 943 . 1 1 6 . HD2 H 0.112 1.670 2.938 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 HD2 . . . . . . . . . c25820_2n7t 1 . 6 . 944 . 1 1 6 . HE1 H -3.469 3.769 5.660 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 HE1 . . . . . . . . . c25820_2n7t 1 . 6 . 945 . 1 1 6 . HE3 H 1.689 1.857 4.841 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 HE3 . . . . . . . . . c25820_2n7t 1 . 6 . 946 . 1 1 6 . HE4 H 2.125 2.544 7.155 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 HE4 . . . . . . . . . c25820_2n7t 1 . 6 . 947 . 1 1 6 . HZ2 H -1.885 3.952 7.586 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 HZ2 . . . . . . . . . c25820_2n7t 1 . 6 . 948 . 1 1 6 . HZ23 H 0.353 3.583 8.514 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 HZ23 . . . . . . . . . c25820_2n7t 1 . 6 . 949 . 1 1 6 . N N -1.575 3.891 0.345 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 N . . . . . . . . . c25820_2n7t 1 . 6 . 950 . 1 1 6 . O O -4.003 2.188 -1.429 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 O . . . . . . . . . c25820_2n7t 1 . 6 . 951 . 1 1 7 ARG C C -1.556 -0.926 -2.108 . . . 1.0 . . . . . . . . . . . . A . 9 ARG C . . . . . . . . . c25820_2n7t 1 . 6 . 952 . 1 1 7 ARG CA C -1.979 0.507 -2.561 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CA . . . . . . . . . c25820_2n7t 1 . 6 . 953 . 1 1 7 ARG CB C -1.055 1.041 -3.690 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CB . . . . . . . . . c25820_2n7t 1 . 6 . 954 . 1 1 7 ARG CD C -2.635 2.805 -4.787 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CD . . . . . . . . . c25820_2n7t 1 . 6 . 955 . 1 1 7 ARG CG C -1.256 2.505 -4.164 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CG . . . . . . . . . c25820_2n7t 1 . 6 . 956 . 1 1 7 ARG CZ C -3.279 5.160 -4.202 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CZ . . . . . . . . . c25820_2n7t 1 . 6 . 957 . 1 1 7 ARG H H -1.016 1.504 -0.847 . . . 1.0 . . . . . . . . . . . . A . 9 ARG H . . . . . . . . . c25820_2n7t 1 . 6 . 958 . 1 1 7 ARG HA H -3.018 0.483 -2.949 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HA . . . . . . . . . c25820_2n7t 1 . 6 . 959 . 1 1 7 ARG HB2 H -0.006 0.922 -3.362 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HB2 . . . . . . . . . c25820_2n7t 1 . 6 . 960 . 1 1 7 ARG HB3 H -1.141 0.369 -4.561 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HB3 . . . . . . . . . c25820_2n7t 1 . 6 . 961 . 1 1 7 ARG HD2 H -2.743 2.256 -5.742 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HD2 . . . . . . . . . c25820_2n7t 1 . 6 . 962 . 1 1 7 ARG HD3 H -3.463 2.432 -4.152 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HD3 . . . . . . . . . c25820_2n7t 1 . 6 . 963 . 1 1 7 ARG HG2 H -1.077 3.190 -3.313 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HG2 . . . . . . . . . c25820_2n7t 1 . 6 . 964 . 1 1 7 ARG HG3 H -0.470 2.768 -4.898 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HG3 . . . . . . . . . c25820_2n7t 1 . 6 . 965 . 1 1 7 ARG HH11 H -3.642 3.899 -2.734 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH11 . . . . . . . . . c25820_2n7t 1 . 6 . 966 . 1 1 7 ARG HH12 H -4.036 5.665 -2.422 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH12 . . . . . . . . . c25820_2n7t 1 . 6 . 967 . 1 1 7 ARG HH21 H -2.987 6.498 -5.562 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH21 . . . . . . . . . c25820_2n7t 1 . 6 . 968 . 1 1 7 ARG HH22 H -3.737 7.079 -3.974 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH22 . . . . . . . . . c25820_2n7t 1 . 6 . 969 . 1 1 7 ARG N N -1.892 1.388 -1.374 . . . 1.0 . . . . . . . . . . . . A . 9 ARG N . . . . . . . . . c25820_2n7t 1 . 6 . 970 . 1 1 7 ARG NE N -2.780 4.260 -5.052 . . . 1.0 . . . . . . . . . . . . A . 9 ARG NE . . . . . . . . . c25820_2n7t 1 . 6 . 971 . 1 1 7 ARG NH1 N -3.711 4.887 -2.998 . . . 1.0 . . . . . . . . . . . . A . 9 ARG NH1 . . . . . . . . . c25820_2n7t 1 . 6 . 972 . 1 1 7 ARG NH2 N -3.332 6.388 -4.605 . . . 1.0 . . . . . . . . . . . . A . 9 ARG NH2 . . . . . . . . . c25820_2n7t 1 . 6 . 973 . 1 1 7 ARG O O -0.481 -1.129 -1.527 . . . 1.0 . . . . . . . . . . . . A . 9 ARG O . . . . . . . . . c25820_2n7t 1 . 6 . 974 . 1 1 8 TRP C C -1.447 -4.209 -2.829 . . . 1.0 . . . . . . . . . . . . A . 10 TRP C . . . . . . . . . c25820_2n7t 1 . 6 . 975 . 1 1 8 TRP CA C -2.231 -3.297 -1.830 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CA . . . . . . . . . c25820_2n7t 1 . 6 . 976 . 1 1 8 TRP CB C -3.638 -3.847 -1.477 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CB . . . . . . . . . c25820_2n7t 1 . 6 . 977 . 1 1 8 TRP CD1 C -3.758 -6.432 -1.412 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CD1 . . . . . . . . . c25820_2n7t 1 . 6 . 978 . 1 1 8 TRP CD2 C -3.365 -5.491 0.558 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CD2 . . . . . . . . . c25820_2n7t 1 . 6 . 979 . 1 1 8 TRP CE2 C -3.328 -6.900 0.694 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CE2 . . . . . . . . . c25820_2n7t 1 . 6 . 980 . 1 1 8 TRP CE3 C -3.118 -4.652 1.668 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CE3 . . . . . . . . . c25820_2n7t 1 . 6 . 981 . 1 1 8 TRP CG C -3.624 -5.198 -0.763 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CG . . . . . . . . . c25820_2n7t 1 . 6 . 982 . 1 1 8 TRP CH2 C -2.796 -6.638 3.040 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CH2 . . . . . . . . . c25820_2n7t 1 . 6 . 983 . 1 1 8 TRP CZ2 C -3.034 -7.481 1.950 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CZ2 . . . . . . . . . c25820_2n7t 1 . 6 . 984 . 1 1 8 TRP CZ3 C -2.838 -5.244 2.901 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CZ3 . . . . . . . . . c25820_2n7t 1 . 6 . 985 . 1 1 8 TRP H H -3.217 -1.672 -2.941 . . . 1.0 . . . . . . . . . . . . A . 10 TRP H . . . . . . . . . c25820_2n7t 1 . 6 . 986 . 1 1 8 TRP HA H -1.673 -3.239 -0.870 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HA . . . . . . . . . c25820_2n7t 1 . 6 . 987 . 1 1 8 TRP HB2 H -4.178 -3.138 -0.829 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HB2 . . . . . . . . . c25820_2n7t 1 . 6 . 988 . 1 1 8 TRP HB3 H -4.254 -3.923 -2.390 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HB3 . . . . . . . . . c25820_2n7t 1 . 6 . 989 . 1 1 8 TRP HD1 H -3.908 -6.490 -2.479 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HD1 . . . . . . . . . c25820_2n7t 1 . 6 . 990 . 1 1 8 TRP HE1 H -3.548 -8.517 -0.740 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HE1 . . . . . . . . . c25820_2n7t 1 . 6 . 991 . 1 1 8 TRP HE3 H -3.148 -3.579 1.550 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HE3 . . . . . . . . . c25820_2n7t 1 . 6 . 992 . 1 1 8 TRP HH2 H -2.571 -7.070 4.006 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HH2 . . . . . . . . . c25820_2n7t 1 . 6 . 993 . 1 1 8 TRP HZ2 H -2.993 -8.555 2.063 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HZ2 . . . . . . . . . c25820_2n7t 1 . 6 . 994 . 1 1 8 TRP HZ3 H -2.647 -4.618 3.760 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HZ3 . . . . . . . . . c25820_2n7t 1 . 6 . 995 . 1 1 8 TRP N N -2.422 -1.919 -2.348 . . . 1.0 . . . . . . . . . . . . A . 10 TRP N . . . . . . . . . c25820_2n7t 1 . 6 . 996 . 1 1 8 TRP NE1 N -3.576 -7.514 -0.526 . . . 1.0 . . . . . . . . . . . . A . 10 TRP NE1 . . . . . . . . . c25820_2n7t 1 . 6 . 997 . 1 1 8 TRP O O -1.791 -4.337 -4.008 . . . 1.0 . . . . . . . . . . . . A . 10 TRP O . . . . . . . . . c25820_2n7t 1 . 6 . 998 . 1 1 9 LYS C C -0.331 -7.284 -3.147 . . . 1.0 . . . . . . . . . . . . A . 11 LYS C . . . . . . . . . c25820_2n7t 1 . 6 . 999 . 1 1 9 LYS CA C 0.379 -5.892 -3.066 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CA . . . . . . . . . c25820_2n7t 1 . 6 . 1000 . 1 1 9 LYS CB C 1.773 -5.965 -2.386 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CB . . . . . . . . . c25820_2n7t 1 . 6 . 1001 . 1 1 9 LYS CD C 3.706 -4.547 -1.427 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CD . . . . . . . . . c25820_2n7t 1 . 6 . 1002 . 1 1 9 LYS CE C 4.483 -3.215 -1.442 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CE . . . . . . . . . c25820_2n7t 1 . 6 . 1003 . 1 1 9 LYS CG C 2.658 -4.705 -2.554 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CG . . . . . . . . . c25820_2n7t 1 . 6 . 1004 . 1 1 9 LYS H H -0.178 -4.628 -1.338 . . . 1.0 . . . . . . . . . . . . A . 11 LYS H . . . . . . . . . c25820_2n7t 1 . 6 . 1005 . 1 1 9 LYS HA H 0.544 -5.531 -4.099 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HA . . . . . . . . . c25820_2n7t 1 . 6 . 1006 . 1 1 9 LYS HB2 H 1.627 -6.198 -1.313 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB2 . . . . . . . . . c25820_2n7t 1 . 6 . 1007 . 1 1 9 LYS HB3 H 2.332 -6.833 -2.779 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB3 . . . . . . . . . c25820_2n7t 1 . 6 . 1008 . 1 1 9 LYS HD2 H 3.216 -4.659 -0.439 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD2 . . . . . . . . . c25820_2n7t 1 . 6 . 1009 . 1 1 9 LYS HD3 H 4.427 -5.385 -1.483 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD3 . . . . . . . . . c25820_2n7t 1 . 6 . 1010 . 1 1 9 LYS HE2 H 5.273 -3.240 -0.665 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE2 . . . . . . . . . c25820_2n7t 1 . 6 . 1011 . 1 1 9 LYS HE3 H 5.014 -3.092 -2.407 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE3 . . . . . . . . . c25820_2n7t 1 . 6 . 1012 . 1 1 9 LYS HG2 H 3.150 -4.712 -3.546 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG2 . . . . . . . . . c25820_2n7t 1 . 6 . 1013 . 1 1 9 LYS HG3 H 2.014 -3.805 -2.565 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG3 . . . . . . . . . c25820_2n7t 1 . 6 . 1014 . 1 1 9 LYS HZ1 H 2.563 -2.177 -1.103 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ1 . . . . . . . . . c25820_2n7t 1 . 6 . 1015 . 1 1 9 LYS N N -0.435 -4.909 -2.300 . . . 1.0 . . . . . . . . . . . . A . 11 LYS N . . . . . . . . . c25820_2n7t 1 . 6 . 1016 . 1 1 9 LYS NZ N 3.578 -2.071 -1.203 . . . 1.0 . . . . . . . . . . . . A . 11 LYS NZ . . . . . . . . . c25820_2n7t 1 . 6 . 1017 . 1 1 9 LYS O O -0.130 -8.195 -2.346 . . . 1.0 . . . . . . . . . . . . A . 11 LYS O . . . . . . . . . c25820_2n7t 1 . 6 . 1018 . 1 1 10 NH2 HN1 H -1.686 -8.394 -4.015 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 HN1 . . . . . . . . . c25820_2n7t 1 . 6 . 1019 . 1 1 10 NH2 HN2 H -1.518 -6.663 -4.616 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 HN2 . . . . . . . . . c25820_2n7t 1 . 6 . 1020 . 1 1 10 NH2 N N -1.200 -7.500 -4.113 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 N . . . . . . . . . c25820_2n7t 1 . 7 . 1021 . 1 1 1 ACE C C 0.407 -4.489 1.769 . . . 1.0 . . . . . . . . . . . . A . 3 ACE C . . . . . . . . . c25820_2n7t 1 . 7 . 1022 . 1 1 1 ACE CH3 C 0.929 -5.748 2.431 . . . 1.0 . . . . . . . . . . . . A . 3 ACE CH3 . . . . . . . . . c25820_2n7t 1 . 7 . 1023 . 1 1 1 ACE H1 H 2.026 -5.715 2.556 . . . 1.0 . . . . . . . . . . . . A . 3 ACE H1 . . . . . . . . . c25820_2n7t 1 . 7 . 1024 . 1 1 1 ACE H2 H 0.465 -5.905 3.421 . . . 1.0 . . . . . . . . . . . . A . 3 ACE H2 . . . . . . . . . c25820_2n7t 1 . 7 . 1025 . 1 1 1 ACE H3 H 0.692 -6.633 1.814 . . . 1.0 . . . . . . . . . . . . A . 3 ACE H3 . . . . . . . . . c25820_2n7t 1 . 7 . 1026 . 1 1 1 ACE O O -0.194 -4.548 0.699 . . . 1.0 . . . . . . . . . . . . A . 3 ACE O . . . . . . . . . c25820_2n7t 1 . 7 . 1027 . 1 1 2 NLE C C 1.229 -0.976 1.780 . . . 1.0 . . . . . . . . . . . . A . 4 NLE C . . . . . . . . . c25820_2n7t 1 . 7 . 1028 . 1 1 2 NLE CA C 0.104 -2.036 2.000 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CA . . . . . . . . . c25820_2n7t 1 . 7 . 1029 . 1 1 2 NLE CB C -0.992 -1.584 2.998 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CB . . . . . . . . . c25820_2n7t 1 . 7 . 1030 . 1 1 2 NLE CD C -1.804 -0.912 5.373 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CD . . . . . . . . . c25820_2n7t 1 . 7 . 1031 . 1 1 2 NLE CE C -2.958 -1.906 5.568 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CE . . . . . . . . . c25820_2n7t 1 . 7 . 1032 . 1 1 2 NLE CG C -0.646 -1.443 4.504 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CG . . . . . . . . . c25820_2n7t 1 . 7 . 1033 . 1 1 2 NLE H H 1.011 -3.478 3.372 . . . 1.0 . . . . . . . . . . . . A . 4 NLE H . . . . . . . . . c25820_2n7t 1 . 7 . 1034 . 1 1 2 NLE HA H -0.433 -2.154 1.036 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HA . . . . . . . . . c25820_2n7t 1 . 7 . 1035 . 1 1 2 NLE HB2 H -1.835 -2.280 2.880 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HB2 . . . . . . . . . c25820_2n7t 1 . 7 . 1036 . 1 1 2 NLE HB3 H -1.390 -0.623 2.645 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HB3 . . . . . . . . . c25820_2n7t 1 . 7 . 1037 . 1 1 2 NLE HD2 H -2.192 0.035 4.952 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HD2 . . . . . . . . . c25820_2n7t 1 . 7 . 1038 . 1 1 2 NLE HD3 H -1.402 -0.633 6.367 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HD3 . . . . . . . . . c25820_2n7t 1 . 7 . 1039 . 1 1 2 NLE HE1 H -3.728 -1.495 6.247 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HE1 . . . . . . . . . c25820_2n7t 1 . 7 . 1040 . 1 1 2 NLE HE2 H -3.465 -2.143 4.614 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HE2 . . . . . . . . . c25820_2n7t 1 . 7 . 1041 . 1 1 2 NLE HE3 H -2.610 -2.859 6.008 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HE3 . . . . . . . . . c25820_2n7t 1 . 7 . 1042 . 1 1 2 NLE HG2 H 0.214 -0.754 4.614 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HG2 . . . . . . . . . c25820_2n7t 1 . 7 . 1043 . 1 1 2 NLE HG3 H -0.291 -2.408 4.914 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HG3 . . . . . . . . . c25820_2n7t 1 . 7 . 1044 . 1 1 2 NLE N N 0.640 -3.355 2.429 . . . 1.0 . . . . . . . . . . . . A . 4 NLE N . . . . . . . . . c25820_2n7t 1 . 7 . 1045 . 1 1 2 NLE O O 1.956 -0.595 2.702 . . . 1.0 . . . . . . . . . . . . A . 4 NLE O . . . . . . . . . c25820_2n7t 1 . 7 . 1046 . 1 1 3 ASP C C 1.701 1.995 0.223 . . . 1.0 . . . . . . . . . . . . A . 5 ASP C . . . . . . . . . c25820_2n7t 1 . 7 . 1047 . 1 1 3 ASP CA C 2.330 0.567 0.155 . . . 1.0 . . . . . . . . . . . . A . 5 ASP CA . . . . . . . . . c25820_2n7t 1 . 7 . 1048 . 1 1 3 ASP CB C 2.822 0.275 -1.288 . . . 1.0 . . . . . . . . . . . . A . 5 ASP CB . . . . . . . . . c25820_2n7t 1 . 7 . 1049 . 1 1 3 ASP CG C 3.796 -0.900 -1.433 . . . 1.0 . . . . . . . . . . . . A . 5 ASP CG . . . . . . . . . c25820_2n7t 1 . 7 . 1050 . 1 1 3 ASP H H 0.655 -0.866 -0.133 . . . 1.0 . . . . . . . . . . . . A . 5 ASP H . . . . . . . . . c25820_2n7t 1 . 7 . 1051 . 1 1 3 ASP HA H 3.211 0.525 0.829 . . . 1.0 . . . . . . . . . . . . A . 5 ASP HA . . . . . . . . . c25820_2n7t 1 . 7 . 1052 . 1 1 3 ASP HB2 H 1.962 0.175 -1.980 . . . 1.0 . . . . . . . . . . . . A . 5 ASP HB2 . . . . . . . . . c25820_2n7t 1 . 7 . 1053 . 1 1 3 ASP HB3 H 3.366 1.155 -1.670 . . . 1.0 . . . . . . . . . . . . A . 5 ASP HB3 . . . . . . . . . c25820_2n7t 1 . 7 . 1054 . 1 1 3 ASP N N 1.336 -0.476 0.540 . . . 1.0 . . . . . . . . . . . . A . 5 ASP N . . . . . . . . . c25820_2n7t 1 . 7 . 1055 . 1 1 3 ASP O O 0.702 2.261 -0.451 . . . 1.0 . . . . . . . . . . . . A . 5 ASP O . . . . . . . . . c25820_2n7t 1 . 7 . 1056 . 1 1 3 ASP OD1 O 4.962 -0.780 -1.053 . . . 1.0 . . . . . . . . . . . . A . 5 ASP OD1 . . . . . . . . . c25820_2n7t 1 . 7 . 1057 . 1 1 4 TRP C C 1.650 5.121 -0.218 . . . 1.0 . . . . . . . . . . . . A . 6 TRP C . . . . . . . . . c25820_2n7t 1 . 7 . 1058 . 1 1 4 TRP CA C 1.793 4.325 1.144 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CA . . . . . . . . . c25820_2n7t 1 . 7 . 1059 . 1 1 4 TRP CB C 2.743 5.040 2.153 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CB . . . . . . . . . c25820_2n7t 1 . 7 . 1060 . 1 1 4 TRP CD1 C 2.567 7.649 1.896 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CD1 . . . . . . . . . c25820_2n7t 1 . 7 . 1061 . 1 1 4 TRP CD2 C 1.504 6.815 3.665 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CD2 . . . . . . . . . c25820_2n7t 1 . 7 . 1062 . 1 1 4 TRP CE2 C 1.289 8.216 3.593 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CE2 . . . . . . . . . c25820_2n7t 1 . 7 . 1063 . 1 1 4 TRP CE3 C 0.883 6.047 4.680 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CE3 . . . . . . . . . c25820_2n7t 1 . 7 . 1064 . 1 1 4 TRP CG C 2.307 6.449 2.596 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CG . . . . . . . . . c25820_2n7t 1 . 7 . 1065 . 1 1 4 TRP CH2 C -0.149 8.083 5.532 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CH2 . . . . . . . . . c25820_2n7t 1 . 7 . 1066 . 1 1 4 TRP CZ2 C 0.450 8.854 4.534 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CZ2 . . . . . . . . . c25820_2n7t 1 . 7 . 1067 . 1 1 4 TRP CZ3 C 0.065 6.701 5.603 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CZ3 . . . . . . . . . c25820_2n7t 1 . 7 . 1068 . 1 1 4 TRP H H 3.144 2.602 1.479 . . . 1.0 . . . . . . . . . . . . A . 6 TRP H . . . . . . . . . c25820_2n7t 1 . 7 . 1069 . 1 1 4 TRP HA H 0.802 4.248 1.628 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HA . . . . . . . . . c25820_2n7t 1 . 7 . 1070 . 1 1 4 TRP HB2 H 2.861 4.420 3.063 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HB2 . . . . . . . . . c25820_2n7t 1 . 7 . 1071 . 1 1 4 TRP HB3 H 3.761 5.101 1.724 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HB3 . . . . . . . . . c25820_2n7t 1 . 7 . 1072 . 1 1 4 TRP HD1 H 3.095 7.696 0.954 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HD1 . . . . . . . . . c25820_2n7t 1 . 7 . 1073 . 1 1 4 TRP HE1 H 1.943 9.736 2.192 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HE1 . . . . . . . . . c25820_2n7t 1 . 7 . 1074 . 1 1 4 TRP HE3 H 1.034 4.982 4.738 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HE3 . . . . . . . . . c25820_2n7t 1 . 7 . 1075 . 1 1 4 TRP HH2 H -0.793 8.559 6.258 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HH2 . . . . . . . . . c25820_2n7t 1 . 7 . 1076 . 1 1 4 TRP HZ2 H 0.271 9.919 4.479 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HZ2 . . . . . . . . . c25820_2n7t 1 . 7 . 1077 . 1 1 4 TRP HZ3 H -0.415 6.130 6.384 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HZ3 . . . . . . . . . c25820_2n7t 1 . 7 . 1078 . 1 1 4 TRP N N 2.299 2.924 0.996 . . . 1.0 . . . . . . . . . . . . A . 6 TRP N . . . . . . . . . c25820_2n7t 1 . 7 . 1079 . 1 1 4 TRP NE1 N 1.945 8.757 2.501 . . . 1.0 . . . . . . . . . . . . A . 6 TRP NE1 . . . . . . . . . c25820_2n7t 1 . 7 . 1080 . 1 1 4 TRP O O 2.592 5.069 -1.017 . . . 1.0 . . . . . . . . . . . . A . 6 TRP O . . . . . . . . . c25820_2n7t 1 . 7 . 1081 . 1 1 5 PRO C C -1.764 5.129 0.587 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c25820_2n7t 1 . 7 . 1082 . 1 1 5 PRO CA C -0.589 6.158 0.413 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c25820_2n7t 1 . 7 . 1083 . 1 1 5 PRO CB C -1.046 7.519 -0.150 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c25820_2n7t 1 . 7 . 1084 . 1 1 5 PRO CD C 0.459 6.631 -1.791 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c25820_2n7t 1 . 7 . 1085 . 1 1 5 PRO CG C -0.847 7.413 -1.662 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c25820_2n7t 1 . 7 . 1086 . 1 1 5 PRO HA H -0.210 6.343 1.433 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c25820_2n7t 1 . 7 . 1087 . 1 1 5 PRO HB2 H -2.081 7.787 0.132 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB2 . . . . . . . . . c25820_2n7t 1 . 7 . 1088 . 1 1 5 PRO HB3 H -0.405 8.327 0.260 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c25820_2n7t 1 . 7 . 1089 . 1 1 5 PRO HD2 H 0.464 5.975 -2.683 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD2 . . . . . . . . . c25820_2n7t 1 . 7 . 1090 . 1 1 5 PRO HD3 H 1.325 7.318 -1.879 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c25820_2n7t 1 . 7 . 1091 . 1 1 5 PRO HG2 H -1.681 6.846 -2.120 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG2 . . . . . . . . . c25820_2n7t 1 . 7 . 1092 . 1 1 5 PRO HG3 H -0.806 8.398 -2.162 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c25820_2n7t 1 . 7 . 1093 . 1 1 5 PRO N N 0.536 5.855 -0.534 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c25820_2n7t 1 . 7 . 1094 . 1 1 5 PRO O O -2.765 5.452 1.231 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c25820_2n7t 1 . 7 . 1095 . 1 1 6 . C C -2.877 1.965 -0.997 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 C . . . . . . . . . c25820_2n7t 1 . 7 . 1096 . 1 1 6 . CA C -2.588 2.778 0.308 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 CA . . . . . . . . . c25820_2n7t 1 . 7 . 1097 . 1 1 6 . CB C -2.045 1.800 1.396 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 CB . . . . . . . . . c25820_2n7t 1 . 7 . 1098 . 1 1 6 . CD1 C -2.795 2.882 3.565 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 CD1 . . . . . . . . . c25820_2n7t 1 . 7 . 1099 . 1 1 6 . CD2 C -0.516 2.107 3.393 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 CD2 . . . . . . . . . c25820_2n7t 1 . 7 . 1100 . 1 1 6 . CE1 C -2.590 3.249 4.892 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 CE1 . . . . . . . . . c25820_2n7t 1 . 7 . 1101 . 1 1 6 . CE2 C -0.287 2.444 4.725 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 CE2 . . . . . . . . . c25820_2n7t 1 . 7 . 1102 . 1 1 6 . CE3 C 0.946 2.198 5.332 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 CE3 . . . . . . . . . c25820_2n7t 1 . 7 . 1103 . 1 1 6 . CE4 C 1.142 2.528 6.669 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 CE4 . . . . . . . . . c25820_2n7t 1 . 7 . 1104 . 1 1 6 . CG C -1.767 2.316 2.815 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 CG . . . . . . . . . c25820_2n7t 1 . 7 . 1105 . 1 1 6 . CZ1 C -1.350 3.030 5.495 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 CZ1 . . . . . . . . . c25820_2n7t 1 . 7 . 1106 . 1 1 6 . CZ2 C -1.126 3.345 6.836 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 CZ2 . . . . . . . . . c25820_2n7t 1 . 7 . 1107 . 1 1 6 . CZ3 C 0.115 3.098 7.415 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 CZ3 . . . . . . . . . c25820_2n7t 1 . 7 . 1108 . 1 1 6 . H H -0.708 3.731 -0.354 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 H . . . . . . . . . c25820_2n7t 1 . 7 . 1109 . 1 1 6 . HA H -3.566 3.175 0.645 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 HA . . . . . . . . . c25820_2n7t 1 . 7 . 1110 . 1 1 6 . HB1 H -1.137 1.303 1.009 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 HB1 . . . . . . . . . c25820_2n7t 1 . 7 . 1111 . 1 1 6 . HB2 H -2.758 0.964 1.490 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 HB2 . . . . . . . . . c25820_2n7t 1 . 7 . 1112 . 1 1 6 . HD1 H -3.759 3.016 3.099 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 HD1 . . . . . . . . . c25820_2n7t 1 . 7 . 1113 . 1 1 6 . HD2 H 0.261 1.632 2.813 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 HD2 . . . . . . . . . c25820_2n7t 1 . 7 . 1114 . 1 1 6 . HE1 H -3.411 3.684 5.447 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 HE1 . . . . . . . . . c25820_2n7t 1 . 7 . 1115 . 1 1 6 . HE3 H 1.758 1.746 4.778 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 HE3 . . . . . . . . . c25820_2n7t 1 . 7 . 1116 . 1 1 6 . HE4 H 2.100 2.336 7.133 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 HE4 . . . . . . . . . c25820_2n7t 1 . 7 . 1117 . 1 1 6 . HZ2 H -1.908 3.784 7.442 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 HZ2 . . . . . . . . . c25820_2n7t 1 . 7 . 1118 . 1 1 6 . HZ23 H 0.282 3.347 8.454 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 HZ23 . . . . . . . . . c25820_2n7t 1 . 7 . 1119 . 1 1 6 . N N -1.627 3.897 0.077 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 N . . . . . . . . . c25820_2n7t 1 . 7 . 1120 . 1 1 6 . O O -4.039 1.732 -1.338 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 O . . . . . . . . . c25820_2n7t 1 . 7 . 1121 . 1 1 7 ARG C C -1.566 -0.931 -2.168 . . . 1.0 . . . . . . . . . . . . A . 9 ARG C . . . . . . . . . c25820_2n7t 1 . 7 . 1122 . 1 1 7 ARG CA C -1.900 0.476 -2.754 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CA . . . . . . . . . c25820_2n7t 1 . 7 . 1123 . 1 1 7 ARG CB C -0.896 0.840 -3.882 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CB . . . . . . . . . c25820_2n7t 1 . 7 . 1124 . 1 1 7 ARG CD C -2.290 2.455 -5.430 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CD . . . . . . . . . c25820_2n7t 1 . 7 . 1125 . 1 1 7 ARG CG C -1.019 2.222 -4.582 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CG . . . . . . . . . c25820_2n7t 1 . 7 . 1126 . 1 1 7 ARG CZ C -3.797 4.009 -4.146 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CZ . . . . . . . . . c25820_2n7t 1 . 7 . 1127 . 1 1 7 ARG H H -0.926 1.666 -1.176 . . . 1.0 . . . . . . . . . . . . A . 9 ARG H . . . . . . . . . c25820_2n7t 1 . 7 . 1128 . 1 1 7 ARG HA H -2.918 0.480 -3.197 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HA . . . . . . . . . c25820_2n7t 1 . 7 . 1129 . 1 1 7 ARG HB2 H 0.126 0.748 -3.472 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HB2 . . . . . . . . . c25820_2n7t 1 . 7 . 1130 . 1 1 7 ARG HB3 H -0.943 0.055 -4.656 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HB3 . . . . . . . . . c25820_2n7t 1 . 7 . 1131 . 1 1 7 ARG HD2 H -2.110 3.238 -6.192 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HD2 . . . . . . . . . c25820_2n7t 1 . 7 . 1132 . 1 1 7 ARG HD3 H -2.519 1.551 -6.026 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HD3 . . . . . . . . . c25820_2n7t 1 . 7 . 1133 . 1 1 7 ARG HG2 H -0.907 3.032 -3.835 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HG2 . . . . . . . . . c25820_2n7t 1 . 7 . 1134 . 1 1 7 ARG HG3 H -0.141 2.341 -5.246 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HG3 . . . . . . . . . c25820_2n7t 1 . 7 . 1135 . 1 1 7 ARG HH11 H -2.291 4.939 -4.979 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH11 . . . . . . . . . c25820_2n7t 1 . 7 . 1136 . 1 1 7 ARG HH12 H -3.465 5.965 -3.994 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH12 . . . . . . . . . c25820_2n7t 1 . 7 . 1137 . 1 1 7 ARG HH21 H -5.262 3.190 -3.206 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH21 . . . . . . . . . c25820_2n7t 1 . 7 . 1138 . 1 1 7 ARG HH22 H -5.079 5.017 -3.009 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH22 . . . . . . . . . c25820_2n7t 1 . 7 . 1139 . 1 1 7 ARG N N -1.814 1.465 -1.655 . . . 1.0 . . . . . . . . . . . . A . 9 ARG N . . . . . . . . . c25820_2n7t 1 . 7 . 1140 . 1 1 7 ARG NE N -3.480 2.797 -4.605 . . . 1.0 . . . . . . . . . . . . A . 9 ARG NE . . . . . . . . . c25820_2n7t 1 . 7 . 1141 . 1 1 7 ARG NH1 N -3.111 5.095 -4.391 . . . 1.0 . . . . . . . . . . . . A . 9 ARG NH1 . . . . . . . . . c25820_2n7t 1 . 7 . 1142 . 1 1 7 ARG NH2 N -4.851 4.105 -3.404 . . . 1.0 . . . . . . . . . . . . A . 9 ARG NH2 . . . . . . . . . c25820_2n7t 1 . 7 . 1143 . 1 1 7 ARG O O -0.506 -1.144 -1.565 . . . 1.0 . . . . . . . . . . . . A . 9 ARG O . . . . . . . . . c25820_2n7t 1 . 7 . 1144 . 1 1 8 TRP C C -1.432 -4.178 -2.702 . . . 1.0 . . . . . . . . . . . . A . 10 TRP C . . . . . . . . . c25820_2n7t 1 . 7 . 1145 . 1 1 8 TRP CA C -2.315 -3.261 -1.788 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CA . . . . . . . . . c25820_2n7t 1 . 7 . 1146 . 1 1 8 TRP CB C -3.742 -3.816 -1.532 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CB . . . . . . . . . c25820_2n7t 1 . 7 . 1147 . 1 1 8 TRP CD1 C -3.833 -6.399 -1.432 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CD1 . . . . . . . . . c25820_2n7t 1 . 7 . 1148 . 1 1 8 TRP CD2 C -3.568 -5.423 0.544 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CD2 . . . . . . . . . c25820_2n7t 1 . 7 . 1149 . 1 1 8 TRP CE2 C -3.490 -6.830 0.698 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CE2 . . . . . . . . . c25820_2n7t 1 . 7 . 1150 . 1 1 8 TRP CE3 C -3.373 -4.563 1.650 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CE3 . . . . . . . . . c25820_2n7t 1 . 7 . 1151 . 1 1 8 TRP CG C -3.769 -5.154 -0.794 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CG . . . . . . . . . c25820_2n7t 1 . 7 . 1152 . 1 1 8 TRP CH2 C -3.016 -6.525 3.051 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CH2 . . . . . . . . . c25820_2n7t 1 . 7 . 1153 . 1 1 8 TRP CZ2 C -3.203 -7.386 1.966 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CZ2 . . . . . . . . . c25820_2n7t 1 . 7 . 1154 . 1 1 8 TRP CZ3 C -3.102 -5.135 2.895 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CZ3 . . . . . . . . . c25820_2n7t 1 . 7 . 1155 . 1 1 8 TRP H H -3.247 -1.649 -2.968 . . . 1.0 . . . . . . . . . . . . A . 10 TRP H . . . . . . . . . c25820_2n7t 1 . 7 . 1156 . 1 1 8 TRP HA H -1.831 -3.174 -0.792 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HA . . . . . . . . . c25820_2n7t 1 . 7 . 1157 . 1 1 8 TRP HB2 H -4.337 -3.102 -0.940 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HB2 . . . . . . . . . c25820_2n7t 1 . 7 . 1158 . 1 1 8 TRP HB3 H -4.288 -3.915 -2.488 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HB3 . . . . . . . . . c25820_2n7t 1 . 7 . 1159 . 1 1 8 TRP HD1 H -3.904 -6.474 -2.506 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HD1 . . . . . . . . . c25820_2n7t 1 . 7 . 1160 . 1 1 8 TRP HE1 H -3.558 -8.465 -0.730 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HE1 . . . . . . . . . c25820_2n7t 1 . 7 . 1161 . 1 1 8 TRP HE3 H -3.419 -3.492 1.520 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HE3 . . . . . . . . . c25820_2n7t 1 . 7 . 1162 . 1 1 8 TRP HH2 H -2.795 -6.938 4.025 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HH2 . . . . . . . . . c25820_2n7t 1 . 7 . 1163 . 1 1 8 TRP HZ2 H -3.122 -8.457 2.090 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HZ2 . . . . . . . . . c25820_2n7t 1 . 7 . 1164 . 1 1 8 TRP HZ3 H -2.941 -4.495 3.750 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HZ3 . . . . . . . . . c25820_2n7t 1 . 7 . 1165 . 1 1 8 TRP N N -2.477 -1.895 -2.343 . . . 1.0 . . . . . . . . . . . . A . 10 TRP N . . . . . . . . . c25820_2n7t 1 . 7 . 1166 . 1 1 8 TRP NE1 N -3.663 -7.464 -0.525 . . . 1.0 . . . . . . . . . . . . A . 10 TRP NE1 . . . . . . . . . c25820_2n7t 1 . 7 . 1167 . 1 1 8 TRP O O -1.588 -4.226 -3.927 . . . 1.0 . . . . . . . . . . . . A . 10 TRP O . . . . . . . . . c25820_2n7t 1 . 7 . 1168 . 1 1 9 LYS C C -0.404 -7.235 -3.163 . . . 1.0 . . . . . . . . . . . . A . 11 LYS C . . . . . . . . . c25820_2n7t 1 . 7 . 1169 . 1 1 9 LYS CA C 0.350 -5.924 -2.760 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CA . . . . . . . . . c25820_2n7t 1 . 7 . 1170 . 1 1 9 LYS CB C 1.565 -6.204 -1.829 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CB . . . . . . . . . c25820_2n7t 1 . 7 . 1171 . 1 1 9 LYS CD C 3.298 -4.422 -2.622 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CD . . . . . . . . . c25820_2n7t 1 . 7 . 1172 . 1 1 9 LYS CE C 4.156 -3.204 -2.230 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CE . . . . . . . . . c25820_2n7t 1 . 7 . 1173 . 1 1 9 LYS CG C 2.489 -5.020 -1.450 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CG . . . . . . . . . c25820_2n7t 1 . 7 . 1174 . 1 1 9 LYS H H -0.462 -4.793 -1.050 . . . 1.0 . . . . . . . . . . . . A . 11 LYS H . . . . . . . . . c25820_2n7t 1 . 7 . 1175 . 1 1 9 LYS HA H 0.752 -5.467 -3.683 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HA . . . . . . . . . c25820_2n7t 1 . 7 . 1176 . 1 1 9 LYS HB2 H 1.185 -6.657 -0.892 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB2 . . . . . . . . . c25820_2n7t 1 . 7 . 1177 . 1 1 9 LYS HB3 H 2.185 -6.997 -2.283 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB3 . . . . . . . . . c25820_2n7t 1 . 7 . 1178 . 1 1 9 LYS HD2 H 3.963 -5.206 -3.031 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD2 . . . . . . . . . c25820_2n7t 1 . 7 . 1179 . 1 1 9 LYS HD3 H 2.631 -4.148 -3.461 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD3 . . . . . . . . . c25820_2n7t 1 . 7 . 1180 . 1 1 9 LYS HE2 H 4.773 -3.439 -1.339 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE2 . . . . . . . . . c25820_2n7t 1 . 7 . 1181 . 1 1 9 LYS HE3 H 4.880 -2.985 -3.040 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE3 . . . . . . . . . c25820_2n7t 1 . 7 . 1182 . 1 1 9 LYS HG2 H 1.888 -4.227 -0.964 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG2 . . . . . . . . . c25820_2n7t 1 . 7 . 1183 . 1 1 9 LYS HG3 H 3.189 -5.357 -0.662 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG3 . . . . . . . . . c25820_2n7t 1 . 7 . 1184 . 1 1 9 LYS HZ1 H 2.311 -1.988 -2.197 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ1 . . . . . . . . . c25820_2n7t 1 . 7 . 1185 . 1 1 9 LYS N N -0.541 -4.953 -2.069 . . . 1.0 . . . . . . . . . . . . A . 11 LYS N . . . . . . . . . c25820_2n7t 1 . 7 . 1186 . 1 1 9 LYS NZ N 3.315 -2.009 -1.997 . . . 1.0 . . . . . . . . . . . . A . 11 LYS NZ . . . . . . . . . c25820_2n7t 1 . 7 . 1187 . 1 1 9 LYS O O -0.407 -8.257 -2.480 . . . 1.0 . . . . . . . . . . . . A . 11 LYS O . . . . . . . . . c25820_2n7t 1 . 7 . 1188 . 1 1 10 NH2 HN1 H -1.627 -8.118 -4.404 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 HN1 . . . . . . . . . c25820_2n7t 1 . 7 . 1189 . 1 1 10 NH2 HN2 H -1.282 -6.336 -4.696 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 HN2 . . . . . . . . . c25820_2n7t 1 . 7 . 1190 . 1 1 10 NH2 N N -1.084 -7.259 -4.292 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 N . . . . . . . . . c25820_2n7t 1 . 8 . 1191 . 1 1 1 ACE C C 0.719 -4.200 1.089 . . . 1.0 . . . . . . . . . . . . A . 3 ACE C . . . . . . . . . c25820_2n7t 1 . 8 . 1192 . 1 1 1 ACE CH3 C 1.053 -5.621 1.501 . . . 1.0 . . . . . . . . . . . . A . 3 ACE CH3 . . . . . . . . . c25820_2n7t 1 . 8 . 1193 . 1 1 1 ACE H1 H 1.340 -6.223 0.620 . . . 1.0 . . . . . . . . . . . . A . 3 ACE H1 . . . . . . . . . c25820_2n7t 1 . 8 . 1194 . 1 1 1 ACE H2 H 1.898 -5.646 2.211 . . . 1.0 . . . . . . . . . . . . A . 3 ACE H2 . . . . . . . . . c25820_2n7t 1 . 8 . 1195 . 1 1 1 ACE H3 H 0.185 -6.121 1.968 . . . 1.0 . . . . . . . . . . . . A . 3 ACE H3 . . . . . . . . . c25820_2n7t 1 . 8 . 1196 . 1 1 1 ACE O O 0.811 -3.852 -0.087 . . . 1.0 . . . . . . . . . . . . A . 3 ACE O . . . . . . . . . c25820_2n7t 1 . 8 . 1197 . 1 1 2 NLE C C 1.050 -0.957 1.741 . . . 1.0 . . . . . . . . . . . . A . 4 NLE C . . . . . . . . . c25820_2n7t 1 . 8 . 1198 . 1 1 2 NLE CA C -0.119 -1.988 1.823 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CA . . . . . . . . . c25820_2n7t 1 . 8 . 1199 . 1 1 2 NLE CB C -1.220 -1.585 2.832 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CB . . . . . . . . . c25820_2n7t 1 . 8 . 1200 . 1 1 2 NLE CD C -2.162 -1.248 5.174 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CD . . . . . . . . . c25820_2n7t 1 . 8 . 1201 . 1 1 2 NLE CE C -1.907 -1.375 6.677 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CE . . . . . . . . . c25820_2n7t 1 . 8 . 1202 . 1 1 2 NLE CG C -0.933 -1.666 4.348 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CG . . . . . . . . . c25820_2n7t 1 . 8 . 1203 . 1 1 2 NLE H H 0.249 -3.818 2.991 . . . 1.0 . . . . . . . . . . . . A . 4 NLE H . . . . . . . . . c25820_2n7t 1 . 8 . 1204 . 1 1 2 NLE HA H -0.650 -1.977 0.847 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HA . . . . . . . . . c25820_2n7t 1 . 8 . 1205 . 1 1 2 NLE HB2 H -2.115 -2.176 2.598 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HB2 . . . . . . . . . c25820_2n7t 1 . 8 . 1206 . 1 1 2 NLE HB3 H -1.531 -0.557 2.600 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HB3 . . . . . . . . . c25820_2n7t 1 . 8 . 1207 . 1 1 2 NLE HD2 H -3.039 -1.867 4.899 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HD2 . . . . . . . . . c25820_2n7t 1 . 8 . 1208 . 1 1 2 NLE HD3 H -2.445 -0.203 4.936 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HD3 . . . . . . . . . c25820_2n7t 1 . 8 . 1209 . 1 1 2 NLE HE1 H -1.660 -2.415 6.962 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HE1 . . . . . . . . . c25820_2n7t 1 . 8 . 1210 . 1 1 2 NLE HE2 H -1.071 -0.728 7.003 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HE2 . . . . . . . . . c25820_2n7t 1 . 8 . 1211 . 1 1 2 NLE HE3 H -2.800 -1.079 7.258 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HE3 . . . . . . . . . c25820_2n7t 1 . 8 . 1212 . 1 1 2 NLE HG2 H -0.071 -1.019 4.606 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HG2 . . . . . . . . . c25820_2n7t 1 . 8 . 1213 . 1 1 2 NLE HG3 H -0.630 -2.694 4.627 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HG3 . . . . . . . . . c25820_2n7t 1 . 8 . 1214 . 1 1 2 NLE N N 0.318 -3.388 2.066 . . . 1.0 . . . . . . . . . . . . A . 4 NLE N . . . . . . . . . c25820_2n7t 1 . 8 . 1215 . 1 1 2 NLE O O 1.721 -0.641 2.729 . . . 1.0 . . . . . . . . . . . . A . 4 NLE O . . . . . . . . . c25820_2n7t 1 . 8 . 1216 . 1 1 3 ASP C C 1.714 2.035 0.296 . . . 1.0 . . . . . . . . . . . . A . 5 ASP C . . . . . . . . . c25820_2n7t 1 . 8 . 1217 . 1 1 3 ASP CA C 2.309 0.594 0.248 . . . 1.0 . . . . . . . . . . . . A . 5 ASP CA . . . . . . . . . c25820_2n7t 1 . 8 . 1218 . 1 1 3 ASP CB C 2.902 0.295 -1.155 . . . 1.0 . . . . . . . . . . . . A . 5 ASP CB . . . . . . . . . c25820_2n7t 1 . 8 . 1219 . 1 1 3 ASP CG C 3.785 -0.957 -1.244 . . . 1.0 . . . . . . . . . . . . A . 5 ASP CG . . . . . . . . . c25820_2n7t 1 . 8 . 1220 . 1 1 3 ASP H H 0.640 -0.798 -0.202 . . . 1.0 . . . . . . . . . . . . A . 5 ASP H . . . . . . . . . c25820_2n7t 1 . 8 . 1221 . 1 1 3 ASP HA H 3.131 0.511 0.991 . . . 1.0 . . . . . . . . . . . . A . 5 ASP HA . . . . . . . . . c25820_2n7t 1 . 8 . 1222 . 1 1 3 ASP HB2 H 2.103 0.275 -1.922 . . . 1.0 . . . . . . . . . . . . A . 5 ASP HB2 . . . . . . . . . c25820_2n7t 1 . 8 . 1223 . 1 1 3 ASP HB3 H 3.542 1.139 -1.461 . . . 1.0 . . . . . . . . . . . . A . 5 ASP HB3 . . . . . . . . . c25820_2n7t 1 . 8 . 1224 . 1 1 3 ASP N N 1.248 -0.410 0.536 . . . 1.0 . . . . . . . . . . . . A . 5 ASP N . . . . . . . . . c25820_2n7t 1 . 8 . 1225 . 1 1 3 ASP O O 0.745 2.328 -0.413 . . . 1.0 . . . . . . . . . . . . A . 5 ASP O . . . . . . . . . c25820_2n7t 1 . 8 . 1226 . 1 1 3 ASP OD1 O 4.957 -0.908 -0.870 . . . 1.0 . . . . . . . . . . . . A . 5 ASP OD1 . . . . . . . . . c25820_2n7t 1 . 8 . 1227 . 1 1 4 TRP C C 1.711 5.177 -0.059 . . . 1.0 . . . . . . . . . . . . A . 6 TRP C . . . . . . . . . c25820_2n7t 1 . 8 . 1228 . 1 1 4 TRP CA C 1.797 4.334 1.280 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CA . . . . . . . . . c25820_2n7t 1 . 8 . 1229 . 1 1 4 TRP CB C 2.712 5.004 2.347 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CB . . . . . . . . . c25820_2n7t 1 . 8 . 1230 . 1 1 4 TRP CD1 C 2.557 7.624 2.229 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CD1 . . . . . . . . . c25820_2n7t 1 . 8 . 1231 . 1 1 4 TRP CD2 C 1.385 6.692 3.877 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CD2 . . . . . . . . . c25820_2n7t 1 . 8 . 1232 . 1 1 4 TRP CE2 C 1.174 8.095 3.873 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CE2 . . . . . . . . . c25820_2n7t 1 . 8 . 1233 . 1 1 4 TRP CE3 C 0.701 5.867 4.804 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CE3 . . . . . . . . . c25820_2n7t 1 . 8 . 1234 . 1 1 4 TRP CG C 2.252 6.386 2.841 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CG . . . . . . . . . c25820_2n7t 1 . 8 . 1235 . 1 1 4 TRP CH2 C -0.382 7.853 5.708 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CH2 . . . . . . . . . c25820_2n7t 1 . 8 . 1236 . 1 1 4 TRP CZ2 C 0.279 8.681 4.797 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CZ2 . . . . . . . . . c25820_2n7t 1 . 8 . 1237 . 1 1 4 TRP CZ3 C -0.173 6.468 5.712 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CZ3 . . . . . . . . . c25820_2n7t 1 . 8 . 1238 . 1 1 4 TRP H H 3.118 2.592 1.613 . . . 1.0 . . . . . . . . . . . . A . 6 TRP H . . . . . . . . . c25820_2n7t 1 . 8 . 1239 . 1 1 4 TRP HA H 0.787 4.245 1.723 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HA . . . . . . . . . c25820_2n7t 1 . 8 . 1240 . 1 1 4 TRP HB2 H 2.808 4.346 3.233 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HB2 . . . . . . . . . c25820_2n7t 1 . 8 . 1241 . 1 1 4 TRP HB3 H 3.744 5.090 1.953 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HB3 . . . . . . . . . c25820_2n7t 1 . 8 . 1242 . 1 1 4 TRP HD1 H 3.151 7.724 1.332 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HD1 . . . . . . . . . c25820_2n7t 1 . 8 . 1243 . 1 1 4 TRP HE1 H 1.917 9.692 2.608 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HE1 . . . . . . . . . c25820_2n7t 1 . 8 . 1244 . 1 1 4 TRP HE3 H 0.848 4.800 4.808 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HE3 . . . . . . . . . c25820_2n7t 1 . 8 . 1245 . 1 1 4 TRP HH2 H -1.070 8.288 6.420 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HH2 . . . . . . . . . c25820_2n7t 1 . 8 . 1246 . 1 1 4 TRP HZ2 H 0.103 9.746 4.793 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HZ2 . . . . . . . . . c25820_2n7t 1 . 8 . 1247 . 1 1 4 TRP HZ3 H -0.700 5.855 6.426 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HZ3 . . . . . . . . . c25820_2n7t 1 . 8 . 1248 . 1 1 4 TRP N N 2.298 2.936 1.107 . . . 1.0 . . . . . . . . . . . . A . 6 TRP N . . . . . . . . . c25820_2n7t 1 . 8 . 1249 . 1 1 4 TRP NE1 N 1.899 8.697 2.859 . . . 1.0 . . . . . . . . . . . . A . 6 TRP NE1 . . . . . . . . . c25820_2n7t 1 . 8 . 1250 . 1 1 4 TRP O O 2.688 5.149 -0.818 . . . 1.0 . . . . . . . . . . . . A . 6 TRP O . . . . . . . . . c25820_2n7t 1 . 8 . 1251 . 1 1 5 PRO C C -1.753 5.192 0.558 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c25820_2n7t 1 . 8 . 1252 . 1 1 5 PRO CA C -0.546 6.198 0.517 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c25820_2n7t 1 . 8 . 1253 . 1 1 5 PRO CB C -0.926 7.615 0.039 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c25820_2n7t 1 . 8 . 1254 . 1 1 5 PRO CD C 0.598 6.762 -1.614 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c25820_2n7t 1 . 8 . 1255 . 1 1 5 PRO CG C -0.663 7.613 -1.467 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c25820_2n7t 1 . 8 . 1256 . 1 1 5 PRO HA H -0.217 6.297 1.565 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c25820_2n7t 1 . 8 . 1257 . 1 1 5 PRO HB2 H -1.962 7.903 0.294 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB2 . . . . . . . . . c25820_2n7t 1 . 8 . 1258 . 1 1 5 PRO HB3 H -0.275 8.364 0.535 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c25820_2n7t 1 . 8 . 1259 . 1 1 5 PRO HD2 H 0.576 6.149 -2.536 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD2 . . . . . . . . . c25820_2n7t 1 . 8 . 1260 . 1 1 5 PRO HD3 H 1.501 7.402 -1.664 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c25820_2n7t 1 . 8 . 1261 . 1 1 5 PRO HG2 H -1.509 7.139 -2.000 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG2 . . . . . . . . . c25820_2n7t 1 . 8 . 1262 . 1 1 5 PRO HG3 H -0.544 8.630 -1.884 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c25820_2n7t 1 . 8 . 1263 . 1 1 5 PRO N N 0.612 5.925 -0.396 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c25820_2n7t 1 . 8 . 1264 . 1 1 5 PRO O O -2.824 5.546 1.059 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c25820_2n7t 1 . 8 . 1265 . 1 1 6 . C C -2.802 2.073 -1.065 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 C . . . . . . . . . c25820_2n7t 1 . 8 . 1266 . 1 1 6 . CA C -2.570 2.843 0.277 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 CA . . . . . . . . . c25820_2n7t 1 . 8 . 1267 . 1 1 6 . CB C -2.109 1.857 1.397 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 CB . . . . . . . . . c25820_2n7t 1 . 8 . 1268 . 1 1 6 . CD1 C -2.992 2.911 3.527 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 CD1 . . . . . . . . . c25820_2n7t 1 . 8 . 1269 . 1 1 6 . CD2 C -0.725 2.081 3.506 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 CD2 . . . . . . . . . c25820_2n7t 1 . 8 . 1270 . 1 1 6 . CE1 C -2.890 3.207 4.883 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 CE1 . . . . . . . . . c25820_2n7t 1 . 8 . 1271 . 1 1 6 . CE2 C -0.603 2.341 4.869 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 CE2 . . . . . . . . . c25820_2n7t 1 . 8 . 1272 . 1 1 6 . CE3 C 0.567 2.031 5.564 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 CE3 . . . . . . . . . c25820_2n7t 1 . 8 . 1273 . 1 1 6 . CE4 C 0.658 2.288 6.927 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 CE4 . . . . . . . . . c25820_2n7t 1 . 8 . 1274 . 1 1 6 . CG C -1.921 2.348 2.838 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 CG . . . . . . . . . c25820_2n7t 1 . 8 . 1275 . 1 1 6 . CZ1 C -1.713 2.919 5.576 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 CZ1 . . . . . . . . . c25820_2n7t 1 . 8 . 1276 . 1 1 6 . CZ2 C -1.597 3.160 6.946 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 CZ2 . . . . . . . . . c25820_2n7t 1 . 8 . 1277 . 1 1 6 . CZ3 C -0.416 2.849 7.614 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 CZ3 . . . . . . . . . c25820_2n7t 1 . 8 . 1278 . 1 1 6 . H H -0.616 3.746 -0.217 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 H . . . . . . . . . c25820_2n7t 1 . 8 . 1279 . 1 1 6 . HA H -3.558 3.254 0.566 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 HA . . . . . . . . . c25820_2n7t 1 . 8 . 1280 . 1 1 6 . HB1 H -1.178 1.360 1.068 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 HB1 . . . . . . . . . c25820_2n7t 1 . 8 . 1281 . 1 1 6 . HB2 H -2.833 1.024 1.435 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 HB2 . . . . . . . . . c25820_2n7t 1 . 8 . 1282 . 1 1 6 . HD1 H -3.913 3.089 2.994 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 HD1 . . . . . . . . . c25820_2n7t 1 . 8 . 1283 . 1 1 6 . HD2 H 0.089 1.616 2.967 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 HD2 . . . . . . . . . c25820_2n7t 1 . 8 . 1284 . 1 1 6 . HE1 H -3.744 3.637 5.390 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 HE1 . . . . . . . . . c25820_2n7t 1 . 8 . 1285 . 1 1 6 . HE3 H 1.412 1.584 5.056 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 HE3 . . . . . . . . . c25820_2n7t 1 . 8 . 1286 . 1 1 6 . HE4 H 1.566 2.046 7.459 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 HE4 . . . . . . . . . c25820_2n7t 1 . 8 . 1287 . 1 1 6 . HZ2 H -2.417 3.590 7.506 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 HZ2 . . . . . . . . . c25820_2n7t 1 . 8 . 1288 . 1 1 6 . HZ23 H -0.333 3.040 8.674 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 HZ23 . . . . . . . . . c25820_2n7t 1 . 8 . 1289 . 1 1 6 . N N -1.574 3.939 0.111 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 N . . . . . . . . . c25820_2n7t 1 . 8 . 1290 . 1 1 6 . O O -3.899 2.108 -1.624 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 O . . . . . . . . . c25820_2n7t 1 . 8 . 1291 . 1 1 7 ARG C C -1.502 -1.003 -2.179 . . . 1.0 . . . . . . . . . . . . A . 9 ARG C . . . . . . . . . c25820_2n7t 1 . 8 . 1292 . 1 1 7 ARG CA C -1.860 0.426 -2.700 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CA . . . . . . . . . c25820_2n7t 1 . 8 . 1293 . 1 1 7 ARG CB C -0.890 0.862 -3.830 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CB . . . . . . . . . c25820_2n7t 1 . 8 . 1294 . 1 1 7 ARG CD C -0.567 3.448 -3.873 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CD . . . . . . . . . c25820_2n7t 1 . 8 . 1295 . 1 1 7 ARG CG C -1.190 2.205 -4.545 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CG . . . . . . . . . c25820_2n7t 1 . 8 . 1296 . 1 1 7 ARG CZ C -2.160 5.352 -4.249 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CZ . . . . . . . . . c25820_2n7t 1 . 8 . 1297 . 1 1 7 ARG H H -0.893 1.515 -1.040 . . . 1.0 . . . . . . . . . . . . A . 9 ARG H . . . . . . . . . c25820_2n7t 1 . 8 . 1298 . 1 1 7 ARG HA H -2.885 0.423 -3.125 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HA . . . . . . . . . c25820_2n7t 1 . 8 . 1299 . 1 1 7 ARG HB2 H 0.149 0.836 -3.457 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HB2 . . . . . . . . . c25820_2n7t 1 . 8 . 1300 . 1 1 7 ARG HB3 H -0.910 0.070 -4.601 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HB3 . . . . . . . . . c25820_2n7t 1 . 8 . 1301 . 1 1 7 ARG HD2 H -0.763 3.484 -2.785 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HD2 . . . . . . . . . c25820_2n7t 1 . 8 . 1302 . 1 1 7 ARG HD3 H 0.536 3.398 -3.946 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HD3 . . . . . . . . . c25820_2n7t 1 . 8 . 1303 . 1 1 7 ARG HG2 H -0.811 2.160 -5.585 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HG2 . . . . . . . . . c25820_2n7t 1 . 8 . 1304 . 1 1 7 ARG HG3 H -2.284 2.335 -4.656 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HG3 . . . . . . . . . c25820_2n7t 1 . 8 . 1305 . 1 1 7 ARG HH11 H -2.812 4.078 -2.905 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH11 . . . . . . . . . c25820_2n7t 1 . 8 . 1306 . 1 1 7 ARG HH12 H -3.876 5.538 -3.248 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH12 . . . . . . . . . c25820_2n7t 1 . 8 . 1307 . 1 1 7 ARG HH21 H -1.654 6.653 -5.581 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH21 . . . . . . . . . c25820_2n7t 1 . 8 . 1308 . 1 1 7 ARG HH22 H -3.261 6.940 -4.713 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH22 . . . . . . . . . c25820_2n7t 1 . 8 . 1309 . 1 1 7 ARG N N -1.772 1.357 -1.551 . . . 1.0 . . . . . . . . . . . . A . 9 ARG N . . . . . . . . . c25820_2n7t 1 . 8 . 1310 . 1 1 7 ARG NE N -1.028 4.700 -4.527 . . . 1.0 . . . . . . . . . . . . A . 9 ARG NE . . . . . . . . . c25820_2n7t 1 . 8 . 1311 . 1 1 7 ARG NH1 N -3.042 4.962 -3.365 . . . 1.0 . . . . . . . . . . . . A . 9 ARG NH1 . . . . . . . . . c25820_2n7t 1 . 8 . 1312 . 1 1 7 ARG NH2 N -2.392 6.441 -4.906 . . . 1.0 . . . . . . . . . . . . A . 9 ARG NH2 . . . . . . . . . c25820_2n7t 1 . 8 . 1313 . 1 1 7 ARG O O -0.389 -1.251 -1.699 . . . 1.0 . . . . . . . . . . . . A . 9 ARG O . . . . . . . . . c25820_2n7t 1 . 8 . 1314 . 1 1 8 TRP C C -1.613 -4.259 -2.807 . . . 1.0 . . . . . . . . . . . . A . 10 TRP C . . . . . . . . . c25820_2n7t 1 . 8 . 1315 . 1 1 8 TRP CA C -2.288 -3.322 -1.753 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CA . . . . . . . . . c25820_2n7t 1 . 8 . 1316 . 1 1 8 TRP CB C -3.680 -3.822 -1.286 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CB . . . . . . . . . c25820_2n7t 1 . 8 . 1317 . 1 1 8 TRP CD1 C -4.021 -6.383 -1.453 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CD1 . . . . . . . . . c25820_2n7t 1 . 8 . 1318 . 1 1 8 TRP CD2 C -3.371 -5.695 0.553 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CD2 . . . . . . . . . c25820_2n7t 1 . 8 . 1319 . 1 1 8 TRP CE2 C -3.466 -7.110 0.547 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CE2 . . . . . . . . . c25820_2n7t 1 . 8 . 1320 . 1 1 8 TRP CE3 C -2.973 -5.007 1.723 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CE3 . . . . . . . . . c25820_2n7t 1 . 8 . 1321 . 1 1 8 TRP CG C -3.707 -5.240 -0.705 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CG . . . . . . . . . c25820_2n7t 1 . 8 . 1322 . 1 1 8 TRP CH2 C -2.758 -7.150 2.860 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CH2 . . . . . . . . . c25820_2n7t 1 . 8 . 1323 . 1 1 8 TRP CZ2 C -3.152 -7.845 1.714 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CZ2 . . . . . . . . . c25820_2n7t 1 . 8 . 1324 . 1 1 8 TRP CZ3 C -2.673 -5.751 2.865 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CZ3 . . . . . . . . . c25820_2n7t 1 . 8 . 1325 . 1 1 8 TRP H H -3.278 -1.653 -2.806 . . . 1.0 . . . . . . . . . . . . A . 10 TRP H . . . . . . . . . c25820_2n7t 1 . 8 . 1326 . 1 1 8 TRP HA H -1.663 -3.288 -0.836 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HA . . . . . . . . . c25820_2n7t 1 . 8 . 1327 . 1 1 8 TRP HB2 H -4.094 -3.138 -0.529 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HB2 . . . . . . . . . c25820_2n7t 1 . 8 . 1328 . 1 1 8 TRP HB3 H -4.389 -3.776 -2.130 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HB3 . . . . . . . . . c25820_2n7t 1 . 8 . 1329 . 1 1 8 TRP HD1 H -4.292 -6.320 -2.495 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HD1 . . . . . . . . . c25820_2n7t 1 . 8 . 1330 . 1 1 8 TRP HE1 H -4.030 -8.537 -0.990 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HE1 . . . . . . . . . c25820_2n7t 1 . 8 . 1331 . 1 1 8 TRP HE3 H -2.916 -3.931 1.727 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HE3 . . . . . . . . . c25820_2n7t 1 . 8 . 1332 . 1 1 8 TRP HH2 H -2.517 -7.700 3.758 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HH2 . . . . . . . . . c25820_2n7t 1 . 8 . 1333 . 1 1 8 TRP HZ2 H -3.217 -8.924 1.718 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HZ2 . . . . . . . . . c25820_2n7t 1 . 8 . 1334 . 1 1 8 TRP HZ3 H -2.371 -5.238 3.767 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HZ3 . . . . . . . . . c25820_2n7t 1 . 8 . 1335 . 1 1 8 TRP N N -2.458 -1.938 -2.267 . . . 1.0 . . . . . . . . . . . . A . 10 TRP N . . . . . . . . . c25820_2n7t 1 . 8 . 1336 . 1 1 8 TRP NE1 N -3.877 -7.565 -0.697 . . . 1.0 . . . . . . . . . . . . A . 10 TRP NE1 . . . . . . . . . c25820_2n7t 1 . 8 . 1337 . 1 1 8 TRP O O -2.139 -4.500 -3.898 . . . 1.0 . . . . . . . . . . . . A . 10 TRP O . . . . . . . . . c25820_2n7t 1 . 8 . 1338 . 1 1 9 LYS C C -0.174 -7.289 -2.794 . . . 1.0 . . . . . . . . . . . . A . 11 LYS C . . . . . . . . . c25820_2n7t 1 . 8 . 1339 . 1 1 9 LYS CA C 0.258 -5.850 -3.216 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CA . . . . . . . . . c25820_2n7t 1 . 8 . 1340 . 1 1 9 LYS CB C 1.775 -5.594 -3.017 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CB . . . . . . . . . c25820_2n7t 1 . 8 . 1341 . 1 1 9 LYS CD C 3.755 -3.929 -3.313 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CD . . . . . . . . . c25820_2n7t 1 . 8 . 1342 . 1 1 9 LYS CE C 3.914 -3.345 -1.893 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CE . . . . . . . . . c25820_2n7t 1 . 8 . 1343 . 1 1 9 LYS CG C 2.323 -4.329 -3.726 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CG . . . . . . . . . c25820_2n7t 1 . 8 . 1344 . 1 1 9 LYS H H -0.102 -4.479 -1.518 . . . 1.0 . . . . . . . . . . . . A . 11 LYS H . . . . . . . . . c25820_2n7t 1 . 8 . 1345 . 1 1 9 LYS HA H 0.049 -5.725 -4.297 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HA . . . . . . . . . c25820_2n7t 1 . 8 . 1346 . 1 1 9 LYS HB2 H 1.994 -5.560 -1.933 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB2 . . . . . . . . . c25820_2n7t 1 . 8 . 1347 . 1 1 9 LYS HB3 H 2.342 -6.466 -3.385 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB3 . . . . . . . . . c25820_2n7t 1 . 8 . 1348 . 1 1 9 LYS HD2 H 4.423 -4.804 -3.420 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD2 . . . . . . . . . c25820_2n7t 1 . 8 . 1349 . 1 1 9 LYS HD3 H 4.148 -3.192 -4.041 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD3 . . . . . . . . . c25820_2n7t 1 . 8 . 1350 . 1 1 9 LYS HE2 H 3.524 -4.057 -1.141 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE2 . . . . . . . . . c25820_2n7t 1 . 8 . 1351 . 1 1 9 LYS HE3 H 4.995 -3.252 -1.673 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE3 . . . . . . . . . c25820_2n7t 1 . 8 . 1352 . 1 1 9 LYS HG2 H 2.300 -4.491 -4.819 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG2 . . . . . . . . . c25820_2n7t 1 . 8 . 1353 . 1 1 9 LYS HG3 H 1.649 -3.468 -3.551 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG3 . . . . . . . . . c25820_2n7t 1 . 8 . 1354 . 1 1 9 LYS HZ1 H 2.199 -1.959 -1.907 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ1 . . . . . . . . . c25820_2n7t 1 . 8 . 1355 . 1 1 9 LYS N N -0.477 -4.839 -2.411 . . . 1.0 . . . . . . . . . . . . A . 11 LYS N . . . . . . . . . c25820_2n7t 1 . 8 . 1356 . 1 1 9 LYS NZ N 3.208 -2.050 -1.746 . . . 1.0 . . . . . . . . . . . . A . 11 LYS NZ . . . . . . . . . c25820_2n7t 1 . 8 . 1357 . 1 1 9 LYS O O 0.326 -7.892 -1.846 . . . 1.0 . . . . . . . . . . . . A . 11 LYS O . . . . . . . . . c25820_2n7t 1 . 8 . 1358 . 1 1 10 NH2 HN1 H -1.403 -8.793 -3.057 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 HN1 . . . . . . . . . c25820_2n7t 1 . 8 . 1359 . 1 1 10 NH2 HN2 H -1.665 -7.318 -4.124 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 HN2 . . . . . . . . . c25820_2n7t 1 . 8 . 1360 . 1 1 10 NH2 N N -1.130 -7.897 -3.470 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 N . . . . . . . . . c25820_2n7t 1 . 9 . 1361 . 1 1 1 ACE C C 0.173 -4.778 1.689 . . . 1.0 . . . . . . . . . . . . A . 3 ACE C . . . . . . . . . c25820_2n7t 1 . 9 . 1362 . 1 1 1 ACE CH3 C 0.621 -5.971 2.509 . . . 1.0 . . . . . . . . . . . . A . 3 ACE CH3 . . . . . . . . . c25820_2n7t 1 . 9 . 1363 . 1 1 1 ACE H1 H 0.214 -5.928 3.536 . . . 1.0 . . . . . . . . . . . . A . 3 ACE H1 . . . . . . . . . c25820_2n7t 1 . 9 . 1364 . 1 1 1 ACE H2 H 0.259 -6.910 2.052 . . . 1.0 . . . . . . . . . . . . A . 3 ACE H2 . . . . . . . . . c25820_2n7t 1 . 9 . 1365 . 1 1 1 ACE H3 H 1.722 -6.032 2.568 . . . 1.0 . . . . . . . . . . . . A . 3 ACE H3 . . . . . . . . . c25820_2n7t 1 . 9 . 1366 . 1 1 1 ACE O O -0.510 -4.932 0.679 . . . 1.0 . . . . . . . . . . . . A . 3 ACE O . . . . . . . . . c25820_2n7t 1 . 9 . 1367 . 1 1 2 NLE C C 1.213 -1.205 1.551 . . . 1.0 . . . . . . . . . . . . A . 4 NLE C . . . . . . . . . c25820_2n7t 1 . 9 . 1368 . 1 1 2 NLE CA C 0.105 -2.303 1.557 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CA . . . . . . . . . c25820_2n7t 1 . 9 . 1369 . 1 1 2 NLE CB C -1.193 -1.831 2.263 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CB . . . . . . . . . c25820_2n7t 1 . 9 . 1370 . 1 1 2 NLE CD C -2.595 -1.279 4.333 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CD . . . . . . . . . c25820_2n7t 1 . 9 . 1371 . 1 1 2 NLE CE C -2.611 -1.145 5.859 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CE . . . . . . . . . c25820_2n7t 1 . 9 . 1372 . 1 1 2 NLE CG C -1.212 -1.700 3.806 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CG . . . . . . . . . c25820_2n7t 1 . 9 . 1373 . 1 1 2 NLE H H 0.938 -3.600 3.094 . . . 1.0 . . . . . . . . . . . . A . 4 NLE H . . . . . . . . . c25820_2n7t 1 . 9 . 1374 . 1 1 2 NLE HA H -0.169 -2.490 0.499 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HA . . . . . . . . . c25820_2n7t 1 . 9 . 1375 . 1 1 2 NLE HB2 H -1.996 -2.515 1.954 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HB2 . . . . . . . . . c25820_2n7t 1 . 9 . 1376 . 1 1 2 NLE HB3 H -1.479 -0.866 1.822 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HB3 . . . . . . . . . c25820_2n7t 1 . 9 . 1377 . 1 1 2 NLE HD2 H -3.363 -2.013 4.018 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HD2 . . . . . . . . . c25820_2n7t 1 . 9 . 1378 . 1 1 2 NLE HD3 H -2.898 -0.317 3.878 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HD3 . . . . . . . . . c25820_2n7t 1 . 9 . 1379 . 1 1 2 NLE HE1 H -2.368 -2.101 6.359 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HE1 . . . . . . . . . c25820_2n7t 1 . 9 . 1380 . 1 1 2 NLE HE2 H -1.883 -0.389 6.210 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HE2 . . . . . . . . . c25820_2n7t 1 . 9 . 1381 . 1 1 2 NLE HE3 H -3.607 -0.829 6.222 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HE3 . . . . . . . . . c25820_2n7t 1 . 9 . 1382 . 1 1 2 NLE HG2 H -0.443 -0.973 4.131 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HG2 . . . . . . . . . c25820_2n7t 1 . 9 . 1383 . 1 1 2 NLE HG3 H -0.925 -2.662 4.271 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HG3 . . . . . . . . . c25820_2n7t 1 . 9 . 1384 . 1 1 2 NLE N N 0.565 -3.587 2.144 . . . 1.0 . . . . . . . . . . . . A . 4 NLE N . . . . . . . . . c25820_2n7t 1 . 9 . 1385 . 1 1 2 NLE O O 1.861 -0.935 2.568 . . . 1.0 . . . . . . . . . . . . A . 4 NLE O . . . . . . . . . c25820_2n7t 1 . 9 . 1386 . 1 1 3 ASP C C 1.741 1.949 0.276 . . . 1.0 . . . . . . . . . . . . A . 5 ASP C . . . . . . . . . c25820_2n7t 1 . 9 . 1387 . 1 1 3 ASP CA C 2.406 0.538 0.220 . . . 1.0 . . . . . . . . . . . . A . 5 ASP CA . . . . . . . . . c25820_2n7t 1 . 9 . 1388 . 1 1 3 ASP CB C 3.151 0.352 -1.128 . . . 1.0 . . . . . . . . . . . . A . 5 ASP CB . . . . . . . . . c25820_2n7t 1 . 9 . 1389 . 1 1 3 ASP CG C 4.080 -0.863 -1.213 . . . 1.0 . . . . . . . . . . . . A . 5 ASP CG . . . . . . . . . c25820_2n7t 1 . 9 . 1390 . 1 1 3 ASP H H 0.708 -0.785 -0.337 . . . 1.0 . . . . . . . . . . . . A . 5 ASP H . . . . . . . . . c25820_2n7t 1 . 9 . 1391 . 1 1 3 ASP HA H 3.173 0.469 1.022 . . . 1.0 . . . . . . . . . . . . A . 5 ASP HA . . . . . . . . . c25820_2n7t 1 . 9 . 1392 . 1 1 3 ASP HB2 H 2.440 0.371 -1.971 . . . 1.0 . . . . . . . . . . . . A . 5 ASP HB2 . . . . . . . . . c25820_2n7t 1 . 9 . 1393 . 1 1 3 ASP HB3 H 3.790 1.232 -1.303 . . . 1.0 . . . . . . . . . . . . A . 5 ASP HB3 . . . . . . . . . c25820_2n7t 1 . 9 . 1394 . 1 1 3 ASP N N 1.395 -0.545 0.394 . . . 1.0 . . . . . . . . . . . . A . 5 ASP N . . . . . . . . . c25820_2n7t 1 . 9 . 1395 . 1 1 3 ASP O O 0.765 2.221 -0.435 . . . 1.0 . . . . . . . . . . . . A . 5 ASP O . . . . . . . . . c25820_2n7t 1 . 9 . 1396 . 1 1 3 ASP OD1 O 5.122 -0.886 -0.558 . . . 1.0 . . . . . . . . . . . . A . 5 ASP OD1 . . . . . . . . . c25820_2n7t 1 . 9 . 1397 . 1 1 4 TRP C C 1.741 5.107 -0.038 . . . 1.0 . . . . . . . . . . . . A . 6 TRP C . . . . . . . . . c25820_2n7t 1 . 9 . 1398 . 1 1 4 TRP CA C 1.781 4.245 1.287 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CA . . . . . . . . . c25820_2n7t 1 . 9 . 1399 . 1 1 4 TRP CB C 2.666 4.886 2.398 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CB . . . . . . . . . c25820_2n7t 1 . 9 . 1400 . 1 1 4 TRP CD1 C 2.518 7.507 2.337 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CD1 . . . . . . . . . c25820_2n7t 1 . 9 . 1401 . 1 1 4 TRP CD2 C 1.328 6.542 3.951 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CD2 . . . . . . . . . c25820_2n7t 1 . 9 . 1402 . 1 1 4 TRP CE2 C 1.121 7.945 3.977 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CE2 . . . . . . . . . c25820_2n7t 1 . 9 . 1403 . 1 1 4 TRP CE3 C 0.630 5.698 4.851 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CE3 . . . . . . . . . c25820_2n7t 1 . 9 . 1404 . 1 1 4 TRP CG C 2.205 6.257 2.917 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CG . . . . . . . . . c25820_2n7t 1 . 9 . 1405 . 1 1 4 TRP CH2 C -0.462 7.664 5.785 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CH2 . . . . . . . . . c25820_2n7t 1 . 9 . 1406 . 1 1 4 TRP CZ2 C 0.214 8.511 4.903 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CZ2 . . . . . . . . . c25820_2n7t 1 . 9 . 1407 . 1 1 4 TRP CZ3 C -0.255 6.280 5.759 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CZ3 . . . . . . . . . c25820_2n7t 1 . 9 . 1408 . 1 1 4 TRP H H 3.134 2.526 1.599 . . . 1.0 . . . . . . . . . . . . A . 6 TRP H . . . . . . . . . c25820_2n7t 1 . 9 . 1409 . 1 1 4 TRP HA H 0.755 4.144 1.688 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HA . . . . . . . . . c25820_2n7t 1 . 9 . 1410 . 1 1 4 TRP HB2 H 2.733 4.205 3.270 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HB2 . . . . . . . . . c25820_2n7t 1 . 9 . 1411 . 1 1 4 TRP HB3 H 3.710 4.976 2.037 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HB3 . . . . . . . . . c25820_2n7t 1 . 9 . 1412 . 1 1 4 TRP HD1 H 3.118 7.627 1.445 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HD1 . . . . . . . . . c25820_2n7t 1 . 9 . 1413 . 1 1 4 TRP HE1 H 1.877 9.568 2.755 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HE1 . . . . . . . . . c25820_2n7t 1 . 9 . 1414 . 1 1 4 TRP HE3 H 0.775 4.630 4.832 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HE3 . . . . . . . . . c25820_2n7t 1 . 9 . 1415 . 1 1 4 TRP HH2 H -1.159 8.084 6.496 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HH2 . . . . . . . . . c25820_2n7t 1 . 9 . 1416 . 1 1 4 TRP HZ2 H 0.040 9.577 4.921 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HZ2 . . . . . . . . . c25820_2n7t 1 . 9 . 1417 . 1 1 4 TRP HZ3 H -0.796 5.650 6.450 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HZ3 . . . . . . . . . c25820_2n7t 1 . 9 . 1418 . 1 1 4 TRP N N 2.299 2.856 1.103 . . . 1.0 . . . . . . . . . . . . A . 6 TRP N . . . . . . . . . c25820_2n7t 1 . 9 . 1419 . 1 1 4 TRP NE1 N 1.857 8.568 2.985 . . . 1.0 . . . . . . . . . . . . A . 6 TRP NE1 . . . . . . . . . c25820_2n7t 1 . 9 . 1420 . 1 1 4 TRP O O 2.728 5.065 -0.784 . . . 1.0 . . . . . . . . . . . . A . 6 TRP O . . . . . . . . . c25820_2n7t 1 . 9 . 1421 . 1 1 5 PRO C C -1.689 5.190 0.641 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c25820_2n7t 1 . 9 . 1422 . 1 1 5 PRO CA C -0.490 6.195 0.520 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c25820_2n7t 1 . 9 . 1423 . 1 1 5 PRO CB C -0.904 7.573 -0.032 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c25820_2n7t 1 . 9 . 1424 . 1 1 5 PRO CD C 0.679 6.710 -1.612 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c25820_2n7t 1 . 9 . 1425 . 1 1 5 PRO CG C -0.623 7.505 -1.533 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c25820_2n7t 1 . 9 . 1426 . 1 1 5 PRO HA H -0.150 6.356 1.555 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c25820_2n7t 1 . 9 . 1427 . 1 1 5 PRO HB2 H -1.951 7.845 0.198 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB2 . . . . . . . . . c25820_2n7t 1 . 9 . 1428 . 1 1 5 PRO HB3 H -0.281 8.364 0.433 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c25820_2n7t 1 . 9 . 1429 . 1 1 5 PRO HD2 H 0.731 6.089 -2.527 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD2 . . . . . . . . . c25820_2n7t 1 . 9 . 1430 . 1 1 5 PRO HD3 H 1.557 7.385 -1.618 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c25820_2n7t 1 . 9 . 1431 . 1 1 5 PRO HG2 H -1.437 6.964 -2.053 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG2 . . . . . . . . . c25820_2n7t 1 . 9 . 1432 . 1 1 5 PRO HG3 H -0.542 8.504 -2.002 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c25820_2n7t 1 . 9 . 1433 . 1 1 5 PRO N N 0.668 5.885 -0.384 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c25820_2n7t 1 . 9 . 1434 . 1 1 5 PRO O O -2.669 5.507 1.318 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c25820_2n7t 1 . 9 . 1435 . 1 1 6 . C C -3.019 2.258 -1.167 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 C . . . . . . . . . c25820_2n7t 1 . 9 . 1436 . 1 1 6 . CA C -2.634 2.918 0.195 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 CA . . . . . . . . . c25820_2n7t 1 . 9 . 1437 . 1 1 6 . CB C -2.140 1.805 1.174 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 CB . . . . . . . . . c25820_2n7t 1 . 9 . 1438 . 1 1 6 . CD1 C -2.893 2.661 3.437 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 CD1 . . . . . . . . . c25820_2n7t 1 . 9 . 1439 . 1 1 6 . CD2 C -0.628 1.863 3.207 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 CD2 . . . . . . . . . c25820_2n7t 1 . 9 . 1440 . 1 1 6 . CE1 C -2.697 2.885 4.796 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 CE1 . . . . . . . . . c25820_2n7t 1 . 9 . 1441 . 1 1 6 . CE2 C -0.406 2.059 4.567 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 CE2 . . . . . . . . . c25820_2n7t 1 . 9 . 1442 . 1 1 6 . CE3 C 0.818 1.736 5.155 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 CE3 . . . . . . . . . c25820_2n7t 1 . 9 . 1443 . 1 1 6 . CE4 C 1.009 1.932 6.519 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 CE4 . . . . . . . . . c25820_2n7t 1 . 9 . 1444 . 1 1 6 . CG C -1.866 2.161 2.640 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 CG . . . . . . . . . c25820_2n7t 1 . 9 . 1445 . 1 1 6 . CZ1 C -1.466 2.585 5.383 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 CZ1 . . . . . . . . . c25820_2n7t 1 . 9 . 1446 . 1 1 6 . CZ2 C -1.248 2.767 6.750 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 CZ2 . . . . . . . . . c25820_2n7t 1 . 9 . 1447 . 1 1 6 . CZ3 C -0.015 2.445 7.310 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 CZ3 . . . . . . . . . c25820_2n7t 1 . 9 . 1448 . 1 1 6 . H H -0.692 3.809 -0.388 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 H . . . . . . . . . c25820_2n7t 1 . 9 . 1449 . 1 1 6 . HA H -3.577 3.339 0.598 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 HA . . . . . . . . . c25820_2n7t 1 . 9 . 1450 . 1 1 6 . HB1 H -1.247 1.317 0.742 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 HB1 . . . . . . . . . c25820_2n7t 1 . 9 . 1451 . 1 1 6 . HB2 H -2.882 0.989 1.178 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 HB2 . . . . . . . . . c25820_2n7t 1 . 9 . 1452 . 1 1 6 . HD1 H -3.854 2.843 2.981 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 HD1 . . . . . . . . . c25820_2n7t 1 . 9 . 1453 . 1 1 6 . HD2 H 0.143 1.430 2.588 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 HD2 . . . . . . . . . c25820_2n7t 1 . 9 . 1454 . 1 1 6 . HE1 H -3.517 3.271 5.386 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 HE1 . . . . . . . . . c25820_2n7t 1 . 9 . 1455 . 1 1 6 . HE3 H 1.627 1.326 4.565 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 HE3 . . . . . . . . . c25820_2n7t 1 . 9 . 1456 . 1 1 6 . HE4 H 1.959 1.682 6.969 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 HE4 . . . . . . . . . c25820_2n7t 1 . 9 . 1457 . 1 1 6 . HZ2 H -2.028 3.157 7.390 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 HZ2 . . . . . . . . . c25820_2n7t 1 . 9 . 1458 . 1 1 6 . HZ23 H 0.146 2.590 8.369 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 HZ23 . . . . . . . . . c25820_2n7t 1 . 9 . 1459 . 1 1 6 . N N -1.605 3.989 0.048 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 N . . . . . . . . . c25820_2n7t 1 . 9 . 1460 . 1 1 6 . O O -4.204 2.148 -1.494 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 O . . . . . . . . . c25820_2n7t 1 . 9 . 1461 . 1 1 7 ARG C C -1.963 -0.793 -2.050 . . . 1.0 . . . . . . . . . . . . A . 9 ARG C . . . . . . . . . c25820_2n7t 1 . 9 . 1462 . 1 1 7 ARG CA C -2.222 0.562 -2.797 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CA . . . . . . . . . c25820_2n7t 1 . 9 . 1463 . 1 1 7 ARG CB C -1.293 0.734 -4.027 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CB . . . . . . . . . c25820_2n7t 1 . 9 . 1464 . 1 1 7 ARG CD C 1.113 0.153 -4.886 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CD . . . . . . . . . c25820_2n7t 1 . 9 . 1465 . 1 1 7 ARG CG C 0.243 0.763 -3.771 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CG . . . . . . . . . c25820_2n7t 1 . 9 . 1466 . 1 1 7 ARG CZ C 1.478 -2.157 -5.796 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CZ . . . . . . . . . c25820_2n7t 1 . 9 . 1467 . 1 1 7 ARG H H -1.123 1.802 -1.414 . . . 1.0 . . . . . . . . . . . . A . 9 ARG H . . . . . . . . . c25820_2n7t 1 . 9 . 1468 . 1 1 7 ARG HA H -3.267 0.560 -3.173 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HA . . . . . . . . . c25820_2n7t 1 . 9 . 1469 . 1 1 7 ARG HB2 H -1.521 -0.105 -4.699 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HB2 . . . . . . . . . c25820_2n7t 1 . 9 . 1470 . 1 1 7 ARG HB3 H -1.600 1.622 -4.605 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HB3 . . . . . . . . . c25820_2n7t 1 . 9 . 1471 . 1 1 7 ARG HD2 H 0.878 0.629 -5.859 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HD2 . . . . . . . . . c25820_2n7t 1 . 9 . 1472 . 1 1 7 ARG HD3 H 2.181 0.365 -4.683 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HD3 . . . . . . . . . c25820_2n7t 1 . 9 . 1473 . 1 1 7 ARG HG2 H 0.560 1.805 -3.572 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HG2 . . . . . . . . . c25820_2n7t 1 . 9 . 1474 . 1 1 7 ARG HG3 H 0.469 0.225 -2.833 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HG3 . . . . . . . . . c25820_2n7t 1 . 9 . 1475 . 1 1 7 ARG HH11 H 2.657 -0.825 -6.614 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH11 . . . . . . . . . c25820_2n7t 1 . 9 . 1476 . 1 1 7 ARG HH12 H 2.779 -2.549 -7.251 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH12 . . . . . . . . . c25820_2n7t 1 . 9 . 1477 . 1 1 7 ARG HH21 H 0.294 -3.539 -5.135 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH21 . . . . . . . . . c25820_2n7t 1 . 9 . 1478 . 1 1 7 ARG HH22 H 1.496 -4.034 -6.451 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH22 . . . . . . . . . c25820_2n7t 1 . 9 . 1479 . 1 1 7 ARG N N -2.026 1.717 -1.891 . . . 1.0 . . . . . . . . . . . . A . 9 ARG N . . . . . . . . . c25820_2n7t 1 . 9 . 1480 . 1 1 7 ARG NE N 0.889 -1.317 -4.951 . . . 1.0 . . . . . . . . . . . . A . 9 ARG NE . . . . . . . . . c25820_2n7t 1 . 9 . 1481 . 1 1 7 ARG NH1 N 2.409 -1.815 -6.647 . . . 1.0 . . . . . . . . . . . . A . 9 ARG NH1 . . . . . . . . . c25820_2n7t 1 . 9 . 1482 . 1 1 7 ARG NH2 N 1.087 -3.390 -5.774 . . . 1.0 . . . . . . . . . . . . A . 9 ARG NH2 . . . . . . . . . c25820_2n7t 1 . 9 . 1483 . 1 1 7 ARG O O -1.184 -0.867 -1.092 . . . 1.0 . . . . . . . . . . . . A . 9 ARG O . . . . . . . . . c25820_2n7t 1 . 9 . 1484 . 1 1 8 TRP C C -1.355 -4.051 -2.824 . . . 1.0 . . . . . . . . . . . . A . 10 TRP C . . . . . . . . . c25820_2n7t 1 . 9 . 1485 . 1 1 8 TRP CA C -2.392 -3.237 -1.977 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CA . . . . . . . . . c25820_2n7t 1 . 9 . 1486 . 1 1 8 TRP CB C -3.802 -3.884 -1.898 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CB . . . . . . . . . c25820_2n7t 1 . 9 . 1487 . 1 1 8 TRP CD1 C -3.837 -6.469 -1.839 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CD1 . . . . . . . . . c25820_2n7t 1 . 9 . 1488 . 1 1 8 TRP CD2 C -3.789 -5.517 0.165 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CD2 . . . . . . . . . c25820_2n7t 1 . 9 . 1489 . 1 1 8 TRP CE2 C -3.720 -6.925 0.311 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CE2 . . . . . . . . . c25820_2n7t 1 . 9 . 1490 . 1 1 8 TRP CE3 C -3.761 -4.671 1.299 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CE3 . . . . . . . . . c25820_2n7t 1 . 9 . 1491 . 1 1 8 TRP CG C -3.842 -5.233 -1.185 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CG . . . . . . . . . c25820_2n7t 1 . 9 . 1492 . 1 1 8 TRP CH2 C -3.557 -6.648 2.709 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CH2 . . . . . . . . . c25820_2n7t 1 . 9 . 1493 . 1 1 8 TRP CZ2 C -3.598 -7.496 1.600 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CZ2 . . . . . . . . . c25820_2n7t 1 . 9 . 1494 . 1 1 8 TRP CZ3 C -3.640 -5.257 2.561 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CZ3 . . . . . . . . . c25820_2n7t 1 . 9 . 1495 . 1 1 8 TRP H H -3.060 -1.723 -3.427 . . . 1.0 . . . . . . . . . . . . A . 10 TRP H . . . . . . . . . c25820_2n7t 1 . 9 . 1496 . 1 1 8 TRP HA H -2.023 -3.165 -0.933 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HA . . . . . . . . . c25820_2n7t 1 . 9 . 1497 . 1 1 8 TRP HB2 H -4.503 -3.218 -1.370 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HB2 . . . . . . . . . c25820_2n7t 1 . 9 . 1498 . 1 1 8 TRP HB3 H -4.228 -3.991 -2.911 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HB3 . . . . . . . . . c25820_2n7t 1 . 9 . 1499 . 1 1 8 TRP HD1 H -3.834 -6.535 -2.917 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HD1 . . . . . . . . . c25820_2n7t 1 . 9 . 1500 . 1 1 8 TRP HE1 H -3.758 -8.552 -1.127 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HE1 . . . . . . . . . c25820_2n7t 1 . 9 . 1501 . 1 1 8 TRP HE3 H -3.827 -3.600 1.184 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HE3 . . . . . . . . . c25820_2n7t 1 . 9 . 1502 . 1 1 8 TRP HH2 H -3.462 -7.071 3.699 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HH2 . . . . . . . . . c25820_2n7t 1 . 9 . 1503 . 1 1 8 TRP HZ2 H -3.533 -8.568 1.721 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HZ2 . . . . . . . . . c25820_2n7t 1 . 9 . 1504 . 1 1 8 TRP HZ3 H -3.606 -4.625 3.438 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HZ3 . . . . . . . . . c25820_2n7t 1 . 9 . 1505 . 1 1 8 TRP N N -2.597 -1.871 -2.527 . . . 1.0 . . . . . . . . . . . . A . 10 TRP N . . . . . . . . . c25820_2n7t 1 . 9 . 1506 . 1 1 8 TRP NE1 N -3.756 -7.546 -0.930 . . . 1.0 . . . . . . . . . . . . A . 10 TRP NE1 . . . . . . . . . c25820_2n7t 1 . 9 . 1507 . 1 1 8 TRP O O -1.369 -4.038 -4.060 . . . 1.0 . . . . . . . . . . . . A . 10 TRP O . . . . . . . . . c25820_2n7t 1 . 9 . 1508 . 1 1 9 LYS C C -0.024 -7.008 -3.393 . . . 1.0 . . . . . . . . . . . . A . 11 LYS C . . . . . . . . . c25820_2n7t 1 . 9 . 1509 . 1 1 9 LYS CA C 0.538 -5.682 -2.784 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CA . . . . . . . . . c25820_2n7t 1 . 9 . 1510 . 1 1 9 LYS CB C 1.685 -5.947 -1.768 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CB . . . . . . . . . c25820_2n7t 1 . 9 . 1511 . 1 1 9 LYS CD C 3.523 -4.280 -2.534 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CD . . . . . . . . . c25820_2n7t 1 . 9 . 1512 . 1 1 9 LYS CE C 4.452 -3.113 -2.153 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CE . . . . . . . . . c25820_2n7t 1 . 9 . 1513 . 1 1 9 LYS CG C 2.589 -4.748 -1.392 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CG . . . . . . . . . c25820_2n7t 1 . 9 . 1514 . 1 1 9 LYS H H -0.529 -4.718 -1.109 . . . 1.0 . . . . . . . . . . . . A . 11 LYS H . . . . . . . . . c25820_2n7t 1 . 9 . 1515 . 1 1 9 LYS HA H 0.987 -5.142 -3.634 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HA . . . . . . . . . c25820_2n7t 1 . 9 . 1516 . 1 1 9 LYS HB2 H 1.250 -6.368 -0.841 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB2 . . . . . . . . . c25820_2n7t 1 . 9 . 1517 . 1 1 9 LYS HB3 H 2.333 -6.755 -2.153 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB3 . . . . . . . . . c25820_2n7t 1 . 9 . 1518 . 1 1 9 LYS HD2 H 4.150 -5.132 -2.855 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD2 . . . . . . . . . c25820_2n7t 1 . 9 . 1519 . 1 1 9 LYS HD3 H 2.937 -4.004 -3.432 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD3 . . . . . . . . . c25820_2n7t 1 . 9 . 1520 . 1 1 9 LYS HE2 H 5.010 -3.359 -1.227 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE2 . . . . . . . . . c25820_2n7t 1 . 9 . 1521 . 1 1 9 LYS HE3 H 5.225 -2.981 -2.936 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE3 . . . . . . . . . c25820_2n7t 1 . 9 . 1522 . 1 1 9 LYS HG2 H 1.965 -3.906 -1.034 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG2 . . . . . . . . . c25820_2n7t 1 . 9 . 1523 . 1 1 9 LYS HG3 H 3.205 -5.031 -0.516 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG3 . . . . . . . . . c25820_2n7t 1 . 9 . 1524 . 1 1 9 LYS HZ1 H 2.794 -1.700 -2.495 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ1 . . . . . . . . . c25820_2n7t 1 . 9 . 1525 . 1 1 9 LYS N N -0.478 -4.801 -2.138 . . . 1.0 . . . . . . . . . . . . A . 11 LYS N . . . . . . . . . c25820_2n7t 1 . 9 . 1526 . 1 1 9 LYS NZ N 3.690 -1.854 -2.019 . . . 1.0 . . . . . . . . . . . . A . 11 LYS NZ . . . . . . . . . c25820_2n7t 1 . 9 . 1527 . 1 1 9 LYS O O 0.202 -7.314 -4.560 . . . 1.0 . . . . . . . . . . . . A . 11 LYS O . . . . . . . . . c25820_2n7t 1 . 9 . 1528 . 1 1 10 NH2 HN1 H -1.077 -7.510 -1.772 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 HN1 . . . . . . . . . c25820_2n7t 1 . 9 . 1529 . 1 1 10 NH2 HN2 H -1.089 -8.647 -3.220 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 HN2 . . . . . . . . . c25820_2n7t 1 . 9 . 1530 . 1 1 10 NH2 N N -0.734 -7.858 -2.673 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 N . . . . . . . . . c25820_2n7t 1 . 10 . 1531 . 1 1 1 ACE C C 0.415 -4.477 1.872 . . . 1.0 . . . . . . . . . . . . A . 3 ACE C . . . . . . . . . c25820_2n7t 1 . 10 . 1532 . 1 1 1 ACE CH3 C 0.931 -5.720 2.571 . . . 1.0 . . . . . . . . . . . . A . 3 ACE CH3 . . . . . . . . . c25820_2n7t 1 . 10 . 1533 . 1 1 1 ACE H1 H 0.404 -5.895 3.526 . . . 1.0 . . . . . . . . . . . . A . 3 ACE H1 . . . . . . . . . c25820_2n7t 1 . 10 . 1534 . 1 1 1 ACE H2 H 0.768 -6.612 1.939 . . . 1.0 . . . . . . . . . . . . A . 3 ACE H2 . . . . . . . . . c25820_2n7t 1 . 10 . 1535 . 1 1 1 ACE H3 H 2.015 -5.649 2.773 . . . 1.0 . . . . . . . . . . . . A . 3 ACE H3 . . . . . . . . . c25820_2n7t 1 . 10 . 1536 . 1 1 1 ACE O O -0.079 -4.550 0.749 . . . 1.0 . . . . . . . . . . . . A . 3 ACE O . . . . . . . . . c25820_2n7t 1 . 10 . 1537 . 1 1 2 NLE C C 1.240 -1.069 1.742 . . . 1.0 . . . . . . . . . . . . A . 4 NLE C . . . . . . . . . c25820_2n7t 1 . 10 . 1538 . 1 1 2 NLE CA C 0.047 -2.035 2.048 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CA . . . . . . . . . c25820_2n7t 1 . 10 . 1539 . 1 1 2 NLE CB C -0.892 -1.371 3.085 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CB . . . . . . . . . c25820_2n7t 1 . 10 . 1540 . 1 1 2 NLE CD C -3.081 -1.286 4.464 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CD . . . . . . . . . c25820_2n7t 1 . 10 . 1541 . 1 1 2 NLE CE C -2.502 -1.050 5.866 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CE . . . . . . . . . c25820_2n7t 1 . 10 . 1542 . 1 1 2 NLE CG C -2.170 -2.111 3.534 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CG . . . . . . . . . c25820_2n7t 1 . 10 . 1543 . 1 1 2 NLE H H 0.916 -3.435 3.503 . . . 1.0 . . . . . . . . . . . . A . 4 NLE H . . . . . . . . . c25820_2n7t 1 . 10 . 1544 . 1 1 2 NLE HA H -0.556 -2.181 1.128 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HA . . . . . . . . . c25820_2n7t 1 . 10 . 1545 . 1 1 2 NLE HB2 H -1.234 -0.430 2.638 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HB2 . . . . . . . . . c25820_2n7t 1 . 10 . 1546 . 1 1 2 NLE HB3 H -0.296 -1.075 3.963 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HB3 . . . . . . . . . c25820_2n7t 1 . 10 . 1547 . 1 1 2 NLE HD2 H -4.052 -1.809 4.567 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HD2 . . . . . . . . . c25820_2n7t 1 . 10 . 1548 . 1 1 2 NLE HD3 H -3.327 -0.314 3.994 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HD3 . . . . . . . . . c25820_2n7t 1 . 10 . 1549 . 1 1 2 NLE HE1 H -2.257 -2.001 6.375 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HE1 . . . . . . . . . c25820_2n7t 1 . 10 . 1550 . 1 1 2 NLE HE2 H -1.579 -0.440 5.835 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HE2 . . . . . . . . . c25820_2n7t 1 . 10 . 1551 . 1 1 2 NLE HE3 H -3.220 -0.509 6.508 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HE3 . . . . . . . . . c25820_2n7t 1 . 10 . 1552 . 1 1 2 NLE HG2 H -1.909 -3.073 4.014 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HG2 . . . . . . . . . c25820_2n7t 1 . 10 . 1553 . 1 1 2 NLE HG3 H -2.752 -2.371 2.635 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HG3 . . . . . . . . . c25820_2n7t 1 . 10 . 1554 . 1 1 2 NLE N N 0.534 -3.342 2.559 . . . 1.0 . . . . . . . . . . . . A . 4 NLE N . . . . . . . . . c25820_2n7t 1 . 10 . 1555 . 1 1 2 NLE O O 2.052 -0.754 2.619 . . . 1.0 . . . . . . . . . . . . A . 4 NLE O . . . . . . . . . c25820_2n7t 1 . 10 . 1556 . 1 1 3 ASP C C 1.664 1.920 0.192 . . . 1.0 . . . . . . . . . . . . A . 5 ASP C . . . . . . . . . c25820_2n7t 1 . 10 . 1557 . 1 1 3 ASP CA C 2.285 0.490 0.100 . . . 1.0 . . . . . . . . . . . . A . 5 ASP CA . . . . . . . . . c25820_2n7t 1 . 10 . 1558 . 1 1 3 ASP CB C 2.747 0.198 -1.353 . . . 1.0 . . . . . . . . . . . . A . 5 ASP CB . . . . . . . . . c25820_2n7t 1 . 10 . 1559 . 1 1 3 ASP CG C 3.793 -0.915 -1.484 . . . 1.0 . . . . . . . . . . . . A . 5 ASP CG . . . . . . . . . c25820_2n7t 1 . 10 . 1560 . 1 1 3 ASP H H 0.508 -0.828 -0.094 . . . 1.0 . . . . . . . . . . . . A . 5 ASP H . . . . . . . . . c25820_2n7t 1 . 10 . 1561 . 1 1 3 ASP HA H 3.182 0.447 0.754 . . . 1.0 . . . . . . . . . . . . A . 5 ASP HA . . . . . . . . . c25820_2n7t 1 . 10 . 1562 . 1 1 3 ASP HB2 H 1.877 0.026 -2.017 . . . 1.0 . . . . . . . . . . . . A . 5 ASP HB2 . . . . . . . . . c25820_2n7t 1 . 10 . 1563 . 1 1 3 ASP HB3 H 3.224 1.101 -1.773 . . . 1.0 . . . . . . . . . . . . A . 5 ASP HB3 . . . . . . . . . c25820_2n7t 1 . 10 . 1564 . 1 1 3 ASP N N 1.297 -0.549 0.510 . . . 1.0 . . . . . . . . . . . . A . 5 ASP N . . . . . . . . . c25820_2n7t 1 . 10 . 1565 . 1 1 3 ASP O O 0.660 2.207 -0.467 . . . 1.0 . . . . . . . . . . . . A . 5 ASP O . . . . . . . . . c25820_2n7t 1 . 10 . 1566 . 1 1 3 ASP OD1 O 4.959 -0.704 -1.148 . . . 1.0 . . . . . . . . . . . . A . 5 ASP OD1 . . . . . . . . . c25820_2n7t 1 . 10 . 1567 . 1 1 4 TRP C C 1.737 5.061 -0.205 . . . 1.0 . . . . . . . . . . . . A . 6 TRP C . . . . . . . . . c25820_2n7t 1 . 10 . 1568 . 1 1 4 TRP CA C 1.820 4.235 1.144 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CA . . . . . . . . . c25820_2n7t 1 . 10 . 1569 . 1 1 4 TRP CB C 2.774 4.891 2.187 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CB . . . . . . . . . c25820_2n7t 1 . 10 . 1570 . 1 1 4 TRP CD1 C 2.685 7.512 2.018 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CD1 . . . . . . . . . c25820_2n7t 1 . 10 . 1571 . 1 1 4 TRP CD2 C 1.563 6.650 3.737 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CD2 . . . . . . . . . c25820_2n7t 1 . 10 . 1572 . 1 1 4 TRP CE2 C 1.390 8.057 3.710 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CE2 . . . . . . . . . c25820_2n7t 1 . 10 . 1573 . 1 1 4 TRP CE3 C 0.899 5.866 4.711 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CE3 . . . . . . . . . c25820_2n7t 1 . 10 . 1574 . 1 1 4 TRP CG C 2.374 6.296 2.670 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CG . . . . . . . . . c25820_2n7t 1 . 10 . 1575 . 1 1 4 TRP CH2 C -0.091 7.898 5.615 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CH2 . . . . . . . . . c25820_2n7t 1 . 10 . 1576 . 1 1 4 TRP CZ2 C 0.552 8.688 4.658 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CZ2 . . . . . . . . . c25820_2n7t 1 . 10 . 1577 . 1 1 4 TRP CZ3 C 0.081 6.509 5.641 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CZ3 . . . . . . . . . c25820_2n7t 1 . 10 . 1578 . 1 1 4 TRP H H 3.134 2.481 1.437 . . . 1.0 . . . . . . . . . . . . A . 6 TRP H . . . . . . . . . c25820_2n7t 1 . 10 . 1579 . 1 1 4 TRP HA H 0.814 4.180 1.602 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HA . . . . . . . . . c25820_2n7t 1 . 10 . 1580 . 1 1 4 TRP HB2 H 2.861 4.242 3.080 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HB2 . . . . . . . . . c25820_2n7t 1 . 10 . 1581 . 1 1 4 TRP HB3 H 3.801 4.936 1.775 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HB3 . . . . . . . . . c25820_2n7t 1 . 10 . 1582 . 1 1 4 TRP HD1 H 3.236 7.577 1.091 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HD1 . . . . . . . . . c25820_2n7t 1 . 10 . 1583 . 1 1 4 TRP HE1 H 2.118 9.605 2.377 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HE1 . . . . . . . . . c25820_2n7t 1 . 10 . 1584 . 1 1 4 TRP HE3 H 1.020 4.795 4.734 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HE3 . . . . . . . . . c25820_2n7t 1 . 10 . 1585 . 1 1 4 TRP HH2 H -0.736 8.367 6.345 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HH2 . . . . . . . . . c25820_2n7t 1 . 10 . 1586 . 1 1 4 TRP HZ2 H 0.404 9.757 4.638 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HZ2 . . . . . . . . . c25820_2n7t 1 . 10 . 1587 . 1 1 4 TRP HZ3 H -0.432 5.925 6.391 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HZ3 . . . . . . . . . c25820_2n7t 1 . 10 . 1588 . 1 1 4 TRP N N 2.286 2.825 0.975 . . . 1.0 . . . . . . . . . . . . A . 6 TRP N . . . . . . . . . c25820_2n7t 1 . 10 . 1589 . 1 1 4 TRP NE1 N 2.085 8.618 2.652 . . . 1.0 . . . . . . . . . . . . A . 6 TRP NE1 . . . . . . . . . c25820_2n7t 1 . 10 . 1590 . 1 1 4 TRP O O 2.690 4.981 -0.989 . . . 1.0 . . . . . . . . . . . . A . 6 TRP O . . . . . . . . . c25820_2n7t 1 . 10 . 1591 . 1 1 5 PRO C C -1.670 5.214 0.584 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c25820_2n7t 1 . 10 . 1592 . 1 1 5 PRO CA C -0.456 6.195 0.412 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c25820_2n7t 1 . 10 . 1593 . 1 1 5 PRO CB C -0.862 7.574 -0.147 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c25820_2n7t 1 . 10 . 1594 . 1 1 5 PRO CD C 0.642 6.649 -1.770 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c25820_2n7t 1 . 10 . 1595 . 1 1 5 PRO CG C -0.638 7.475 -1.657 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c25820_2n7t 1 . 10 . 1596 . 1 1 5 PRO HA H -0.078 6.364 1.433 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c25820_2n7t 1 . 10 . 1597 . 1 1 5 PRO HB2 H -1.892 7.872 0.116 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB2 . . . . . . . . . c25820_2n7t 1 . 10 . 1598 . 1 1 5 PRO HB3 H -0.204 8.358 0.281 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c25820_2n7t 1 . 10 . 1599 . 1 1 5 PRO HD2 H 0.643 6.008 -2.674 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD2 . . . . . . . . . c25820_2n7t 1 . 10 . 1600 . 1 1 5 PRO HD3 H 1.533 7.305 -1.828 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c25820_2n7t 1 . 10 . 1601 . 1 1 5 PRO HG2 H -1.483 6.944 -2.136 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG2 . . . . . . . . . c25820_2n7t 1 . 10 . 1602 . 1 1 5 PRO HG3 H -0.554 8.463 -2.146 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c25820_2n7t 1 . 10 . 1603 . 1 1 5 PRO N N 0.663 5.850 -0.526 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c25820_2n7t 1 . 10 . 1604 . 1 1 5 PRO O O -2.631 5.562 1.272 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c25820_2n7t 1 . 10 . 1605 . 1 1 6 . C C -2.986 2.151 -1.056 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 C . . . . . . . . . c25820_2n7t 1 . 10 . 1606 . 1 1 6 . CA C -2.627 2.925 0.255 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 CA . . . . . . . . . c25820_2n7t 1 . 10 . 1607 . 1 1 6 . CB C -2.126 1.910 1.329 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 CB . . . . . . . . . c25820_2n7t 1 . 10 . 1608 . 1 1 6 . CD1 C -2.892 2.939 3.518 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 CD1 . . . . . . . . . c25820_2n7t 1 . 10 . 1609 . 1 1 6 . CD2 C -0.627 2.121 3.363 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 CD2 . . . . . . . . . c25820_2n7t 1 . 10 . 1610 . 1 1 6 . CE1 C -2.717 3.223 4.869 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 CE1 . . . . . . . . . c25820_2n7t 1 . 10 . 1611 . 1 1 6 . CE2 C -0.432 2.362 4.719 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 CE2 . . . . . . . . . c25820_2n7t 1 . 10 . 1612 . 1 1 6 . CE3 C 0.773 2.042 5.347 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 CE3 . . . . . . . . . c25820_2n7t 1 . 10 . 1613 . 1 1 6 . CE4 C 0.939 2.288 6.706 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 CE4 . . . . . . . . . c25820_2n7t 1 . 10 . 1614 . 1 1 6 . CG C -1.858 2.386 2.764 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 CG . . . . . . . . . c25820_2n7t 1 . 10 . 1615 . 1 1 6 . CZ1 C -1.502 2.933 5.492 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 CZ1 . . . . . . . . . c25820_2n7t 1 . 10 . 1616 . 1 1 6 . CZ2 C -1.309 3.164 6.855 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 CZ2 . . . . . . . . . c25820_2n7t 1 . 10 . 1617 . 1 1 6 . CZ3 C -0.095 2.846 7.455 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 CZ3 . . . . . . . . . c25820_2n7t 1 . 10 . 1618 . 1 1 6 . H H -0.713 3.794 -0.428 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 H . . . . . . . . . c25820_2n7t 1 . 10 . 1619 . 1 1 6 . HA H -3.578 3.370 0.610 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 HA . . . . . . . . . c25820_2n7t 1 . 10 . 1620 . 1 1 6 . HB1 H -1.228 1.395 0.943 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 HB1 . . . . . . . . . c25820_2n7t 1 . 10 . 1621 . 1 1 6 . HB2 H -2.859 1.088 1.400 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 HB2 . . . . . . . . . c25820_2n7t 1 . 10 . 1622 . 1 1 6 . HD1 H -3.840 3.122 3.037 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 HD1 . . . . . . . . . c25820_2n7t 1 . 10 . 1623 . 1 1 6 . HD2 H 0.158 1.663 2.774 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 HD2 . . . . . . . . . c25820_2n7t 1 . 10 . 1624 . 1 1 6 . HE1 H -3.542 3.648 5.424 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 HE1 . . . . . . . . . c25820_2n7t 1 . 10 . 1625 . 1 1 6 . HE3 H 1.590 1.600 4.790 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 HE3 . . . . . . . . . c25820_2n7t 1 . 10 . 1626 . 1 1 6 . HE4 H 1.875 2.041 7.186 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 HE4 . . . . . . . . . c25820_2n7t 1 . 10 . 1627 . 1 1 6 . HZ2 H -2.097 3.591 7.463 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 HZ2 . . . . . . . . . c25820_2n7t 1 . 10 . 1628 . 1 1 6 . HZ23 H 0.047 3.030 8.510 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 HZ23 . . . . . . . . . c25820_2n7t 1 . 10 . 1629 . 1 1 6 . N N -1.613 3.995 0.024 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 N . . . . . . . . . c25820_2n7t 1 . 10 . 1630 . 1 1 6 . O O -4.163 2.033 -1.403 . . . 1.0 . . . . . . . . . . . . A . 8 4J2 O . . . . . . . . . c25820_2n7t 1 . 10 . 1631 . 1 1 7 ARG C C -1.826 -0.921 -1.978 . . . 1.0 . . . . . . . . . . . . A . 9 ARG C . . . . . . . . . c25820_2n7t 1 . 10 . 1632 . 1 1 7 ARG CA C -2.170 0.435 -2.675 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CA . . . . . . . . . c25820_2n7t 1 . 10 . 1633 . 1 1 7 ARG CB C -1.243 0.728 -3.881 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CB . . . . . . . . . c25820_2n7t 1 . 10 . 1634 . 1 1 7 ARG CD C -2.585 -0.215 -5.930 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CD . . . . . . . . . c25820_2n7t 1 . 10 . 1635 . 1 1 7 ARG CG C -1.296 -0.251 -5.079 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CG . . . . . . . . . c25820_2n7t 1 . 10 . 1636 . 1 1 7 ARG CZ C -4.023 -2.253 -5.607 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CZ . . . . . . . . . c25820_2n7t 1 . 10 . 1637 . 1 1 7 ARG H H -1.073 1.670 -1.247 . . . 1.0 . . . . . . . . . . . . A . 9 ARG H . . . . . . . . . c25820_2n7t 1 . 10 . 1638 . 1 1 7 ARG HA H -3.219 0.418 -3.036 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HA . . . . . . . . . c25820_2n7t 1 . 10 . 1639 . 1 1 7 ARG HB2 H -1.455 1.745 -4.262 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HB2 . . . . . . . . . c25820_2n7t 1 . 10 . 1640 . 1 1 7 ARG HB3 H -0.199 0.763 -3.520 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HB3 . . . . . . . . . c25820_2n7t 1 . 10 . 1641 . 1 1 7 ARG HD2 H -2.912 0.834 -6.071 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HD2 . . . . . . . . . c25820_2n7t 1 . 10 . 1642 . 1 1 7 ARG HD3 H -2.371 -0.558 -6.962 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HD3 . . . . . . . . . c25820_2n7t 1 . 10 . 1643 . 1 1 7 ARG HG2 H -0.446 0.013 -5.734 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HG2 . . . . . . . . . c25820_2n7t 1 . 10 . 1644 . 1 1 7 ARG HG3 H -1.076 -1.284 -4.747 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HG3 . . . . . . . . . c25820_2n7t 1 . 10 . 1645 . 1 1 7 ARG HH11 H -2.472 -2.606 -6.745 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH11 . . . . . . . . . c25820_2n7t 1 . 10 . 1646 . 1 1 7 ARG HH12 H -3.644 -4.001 -6.484 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH12 . . . . . . . . . c25820_2n7t 1 . 10 . 1647 . 1 1 7 ARG HH21 H -5.593 -2.034 -4.502 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH21 . . . . . . . . . c25820_2n7t 1 . 10 . 1648 . 1 1 7 ARG HH22 H -5.353 -3.691 -5.282 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH22 . . . . . . . . . c25820_2n7t 1 . 10 . 1649 . 1 1 7 ARG N N -1.979 1.550 -1.718 . . . 1.0 . . . . . . . . . . . . A . 9 ARG N . . . . . . . . . c25820_2n7t 1 . 10 . 1650 . 1 1 7 ARG NE N -3.715 -0.984 -5.339 . . . 1.0 . . . . . . . . . . . . A . 9 ARG NE . . . . . . . . . c25820_2n7t 1 . 10 . 1651 . 1 1 7 ARG NH1 N -3.323 -3.038 -6.382 . . . 1.0 . . . . . . . . . . . . A . 9 ARG NH1 . . . . . . . . . c25820_2n7t 1 . 10 . 1652 . 1 1 7 ARG NH2 N -5.088 -2.732 -5.051 . . . 1.0 . . . . . . . . . . . . A . 9 ARG NH2 . . . . . . . . . c25820_2n7t 1 . 10 . 1653 . 1 1 7 ARG O O -0.923 -1.022 -1.139 . . . 1.0 . . . . . . . . . . . . A . 9 ARG O . . . . . . . . . c25820_2n7t 1 . 10 . 1654 . 1 1 8 TRP C C -1.309 -4.164 -2.719 . . . 1.0 . . . . . . . . . . . . A . 10 TRP C . . . . . . . . . c25820_2n7t 1 . 10 . 1655 . 1 1 8 TRP CA C -2.314 -3.347 -1.838 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CA . . . . . . . . . c25820_2n7t 1 . 10 . 1656 . 1 1 8 TRP CB C -3.713 -4.008 -1.714 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CB . . . . . . . . . c25820_2n7t 1 . 10 . 1657 . 1 1 8 TRP CD1 C -3.801 -6.592 -1.865 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CD1 . . . . . . . . . c25820_2n7t 1 . 10 . 1658 . 1 1 8 TRP CD2 C -3.486 -5.810 0.187 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CD2 . . . . . . . . . c25820_2n7t 1 . 10 . 1659 . 1 1 8 TRP CE2 C -3.422 -7.224 0.208 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CE2 . . . . . . . . . c25820_2n7t 1 . 10 . 1660 . 1 1 8 TRP CE3 C -3.253 -5.059 1.362 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CE3 . . . . . . . . . c25820_2n7t 1 . 10 . 1661 . 1 1 8 TRP CG C -3.716 -5.413 -1.113 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CG . . . . . . . . . c25820_2n7t 1 . 10 . 1662 . 1 1 8 TRP CH2 C -2.893 -7.144 2.569 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CH2 . . . . . . . . . c25820_2n7t 1 . 10 . 1663 . 1 1 8 TRP CZ2 C -3.115 -7.900 1.413 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CZ2 . . . . . . . . . c25820_2n7t 1 . 10 . 1664 . 1 1 8 TRP CZ3 C -2.963 -5.744 2.543 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CZ3 . . . . . . . . . c25820_2n7t 1 . 10 . 1665 . 1 1 8 TRP H H -3.031 -1.801 -3.256 . . . 1.0 . . . . . . . . . . . . A . 10 TRP H . . . . . . . . . c25820_2n7t 1 . 10 . 1666 . 1 1 8 TRP HA H -1.908 -3.276 -0.807 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HA . . . . . . . . . c25820_2n7t 1 . 10 . 1667 . 1 1 8 TRP HB2 H -4.381 -3.382 -1.098 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HB2 . . . . . . . . . c25820_2n7t 1 . 10 . 1668 . 1 1 8 TRP HB3 H -4.199 -4.043 -2.704 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HB3 . . . . . . . . . c25820_2n7t 1 . 10 . 1669 . 1 1 8 TRP HD1 H -3.897 -6.571 -2.939 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HD1 . . . . . . . . . c25820_2n7t 1 . 10 . 1670 . 1 1 8 TRP HE1 H -3.526 -8.716 -1.363 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HE1 . . . . . . . . . c25820_2n7t 1 . 10 . 1671 . 1 1 8 TRP HE3 H -3.270 -3.980 1.328 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HE3 . . . . . . . . . c25820_2n7t 1 . 10 . 1672 . 1 1 8 TRP HH2 H -2.654 -7.648 3.495 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HH2 . . . . . . . . . c25820_2n7t 1 . 10 . 1673 . 1 1 8 TRP HZ2 H -3.045 -8.977 1.436 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HZ2 . . . . . . . . . c25820_2n7t 1 . 10 . 1674 . 1 1 8 TRP HZ3 H -2.767 -5.181 3.443 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HZ3 . . . . . . . . . c25820_2n7t 1 . 10 . 1675 . 1 1 8 TRP N N -2.542 -1.978 -2.368 . . . 1.0 . . . . . . . . . . . . A . 10 TRP N . . . . . . . . . c25820_2n7t 1 . 10 . 1676 . 1 1 8 TRP NE1 N -3.626 -7.740 -1.064 . . . 1.0 . . . . . . . . . . . . A . 10 TRP NE1 . . . . . . . . . c25820_2n7t 1 . 10 . 1677 . 1 1 8 TRP O O -1.363 -4.153 -3.954 . . . 1.0 . . . . . . . . . . . . A . 10 TRP O . . . . . . . . . c25820_2n7t 1 . 10 . 1678 . 1 1 9 LYS C C -0.267 -7.207 -3.197 . . . 1.0 . . . . . . . . . . . . A . 11 LYS C . . . . . . . . . c25820_2n7t 1 . 10 . 1679 . 1 1 9 LYS CA C 0.473 -5.910 -2.727 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CA . . . . . . . . . c25820_2n7t 1 . 10 . 1680 . 1 1 9 LYS CB C 1.646 -6.225 -1.754 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CB . . . . . . . . . c25820_2n7t 1 . 10 . 1681 . 1 1 9 LYS CD C 3.457 -4.503 -2.501 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CD . . . . . . . . . c25820_2n7t 1 . 10 . 1682 . 1 1 9 LYS CE C 4.261 -3.245 -2.123 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CE . . . . . . . . . c25820_2n7t 1 . 10 . 1683 . 1 1 9 LYS CG C 2.585 -5.061 -1.352 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CG . . . . . . . . . c25820_2n7t 1 . 10 . 1684 . 1 1 9 LYS H H -0.407 -4.803 -1.033 . . . 1.0 . . . . . . . . . . . . A . 11 LYS H . . . . . . . . . c25820_2n7t 1 . 10 . 1685 . 1 1 9 LYS HA H 0.916 -5.437 -3.622 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HA . . . . . . . . . c25820_2n7t 1 . 10 . 1686 . 1 1 9 LYS HB2 H 1.223 -6.664 -0.830 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB2 . . . . . . . . . c25820_2n7t 1 . 10 . 1687 . 1 1 9 LYS HB3 H 2.260 -7.034 -2.184 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB3 . . . . . . . . . c25820_2n7t 1 . 10 . 1688 . 1 1 9 LYS HD2 H 4.160 -5.292 -2.828 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD2 . . . . . . . . . c25820_2n7t 1 . 10 . 1689 . 1 1 9 LYS HD3 H 2.843 -4.284 -3.394 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD3 . . . . . . . . . c25820_2n7t 1 . 10 . 1690 . 1 1 9 LYS HE2 H 4.843 -3.423 -1.195 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE2 . . . . . . . . . c25820_2n7t 1 . 10 . 1691 . 1 1 9 LYS HE3 H 5.014 -3.035 -2.908 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE3 . . . . . . . . . c25820_2n7t 1 . 10 . 1692 . 1 1 9 LYS HG2 H 1.984 -4.250 -0.899 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG2 . . . . . . . . . c25820_2n7t 1 . 10 . 1693 . 1 1 9 LYS HG3 H 3.246 -5.404 -0.532 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG3 . . . . . . . . . c25820_2n7t 1 . 10 . 1694 . 1 1 9 LYS HZ1 H 2.358 -2.129 -2.140 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ1 . . . . . . . . . c25820_2n7t 1 . 10 . 1695 . 1 1 9 LYS N N -0.442 -4.946 -2.057 . . . 1.0 . . . . . . . . . . . . A . 11 LYS N . . . . . . . . . c25820_2n7t 1 . 10 . 1696 . 1 1 9 LYS NZ N 3.367 -2.077 -1.976 . . . 1.0 . . . . . . . . . . . . A . 11 LYS NZ . . . . . . . . . c25820_2n7t 1 . 10 . 1697 . 1 1 9 LYS O O -0.332 -8.235 -2.525 . . . 1.0 . . . . . . . . . . . . A . 11 LYS O . . . . . . . . . c25820_2n7t 1 . 10 . 1698 . 1 1 10 NH2 HN1 H -1.011 -6.288 -4.792 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 HN1 . . . . . . . . . c25820_2n7t 1 . 10 . 1699 . 1 1 10 NH2 HN2 H -1.387 -8.075 -4.552 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 HN2 . . . . . . . . . c25820_2n7t 1 . 10 . 1700 . 1 1 10 NH2 N N -0.861 -7.214 -4.374 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 N . . . . . . . . . c25820_2n7t 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 c25820_2n7t _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 2n7t.mr . . 'MR format' 1 comment 'Not applicable' 'Not applicable' 0 c25820_2n7t 1 1 2n7t.mr . . DYANA/DIANA 2 distance NOE simple 124 c25820_2n7t 1 1 2n7t.mr . . 'MR format' 3 'nomenclature mapping' 'Not applicable' 'Not applicable' 0 c25820_2n7t 1 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode DYANA/DIANA_distance_constraints_2 _Gen_dist_constraint_list.Entry_ID c25820_2n7t _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 . . . . c25820_2n7t 1 stop_ loop_ _Gen_dist_constraint.ID _Gen_dist_constraint.Member_ID _Gen_dist_constraint.Member_logic_code _Gen_dist_constraint.Assembly_atom_ID_1 _Gen_dist_constraint.Entity_assembly_ID_1 _Gen_dist_constraint.Entity_ID_1 _Gen_dist_constraint.Comp_index_ID_1 _Gen_dist_constraint.Seq_ID_1 _Gen_dist_constraint.Comp_ID_1 _Gen_dist_constraint.Atom_ID_1 _Gen_dist_constraint.Atom_type_1 _Gen_dist_constraint.Atom_isotope_number_1 _Gen_dist_constraint.Resonance_ID_1 _Gen_dist_constraint.Assembly_atom_ID_2 _Gen_dist_constraint.Entity_assembly_ID_2 _Gen_dist_constraint.Entity_ID_2 _Gen_dist_constraint.Comp_index_ID_2 _Gen_dist_constraint.Seq_ID_2 _Gen_dist_constraint.Comp_ID_2 _Gen_dist_constraint.Atom_ID_2 _Gen_dist_constraint.Atom_type_2 _Gen_dist_constraint.Atom_isotope_number_2 _Gen_dist_constraint.Resonance_ID_2 _Gen_dist_constraint.Intensity_val _Gen_dist_constraint.Intensity_lower_val_err _Gen_dist_constraint.Intensity_upper_val_err _Gen_dist_constraint.Distance_val _Gen_dist_constraint.Distance_lower_bound_val _Gen_dist_constraint.Distance_upper_bound_val _Gen_dist_constraint.Contribution_fractional_val _Gen_dist_constraint.Spectral_peak_ID _Gen_dist_constraint.Spectral_peak_list_ID _Gen_dist_constraint.PDB_record_ID_1 _Gen_dist_constraint.PDB_model_num_1 _Gen_dist_constraint.PDB_strand_ID_1 _Gen_dist_constraint.PDB_ins_code_1 _Gen_dist_constraint.PDB_residue_no_1 _Gen_dist_constraint.PDB_residue_name_1 _Gen_dist_constraint.PDB_atom_name_1 _Gen_dist_constraint.PDB_record_ID_2 _Gen_dist_constraint.PDB_model_num_2 _Gen_dist_constraint.PDB_strand_ID_2 _Gen_dist_constraint.PDB_ins_code_2 _Gen_dist_constraint.PDB_residue_no_2 _Gen_dist_constraint.PDB_residue_name_2 _Gen_dist_constraint.PDB_atom_name_2 _Gen_dist_constraint.Auth_entity_assembly_ID_1 _Gen_dist_constraint.Auth_asym_ID_1 _Gen_dist_constraint.Auth_chain_ID_1 _Gen_dist_constraint.Auth_seq_ID_1 _Gen_dist_constraint.Auth_comp_ID_1 _Gen_dist_constraint.Auth_atom_ID_1 _Gen_dist_constraint.Auth_alt_ID_1 _Gen_dist_constraint.Auth_atom_name_1 _Gen_dist_constraint.Auth_entity_assembly_ID_2 _Gen_dist_constraint.Auth_asym_ID_2 _Gen_dist_constraint.Auth_chain_ID_2 _Gen_dist_constraint.Auth_seq_ID_2 _Gen_dist_constraint.Auth_comp_ID_2 _Gen_dist_constraint.Auth_atom_ID_2 _Gen_dist_constraint.Auth_alt_ID_2 _Gen_dist_constraint.Auth_atom_name_2 _Gen_dist_constraint.Entry_ID _Gen_dist_constraint.Gen_dist_constraint_list_ID 1 1 . . 1 1 3 3 ASP H H . . . 1 1 2 2 NLE HA H . . . . . . . 2.65 . . . . . A . 5 ASP H . . A . 4 NLE HA . . . 5 ASP HN . . . . . 4 NLE HA . . c25820_2n7t 1 2 1 . . 1 1 2 2 NLE HA H . . . 1 1 8 8 TRP HA H . . . . . . . 3.17 . . . . . A . 4 NLE HA . . A . 10 TRP HA . . . 4 NLE HA . . . . . 10 TRP HA . . c25820_2n7t 1 3 1 . . 1 1 2 2 NLE HA H . . . 1 1 8 8 TRP HE3 H . . . . . . . 4.17 . . . . . A . 4 NLE HA . . A . 10 TRP HE3 . . . 4 NLE HA . . . . . 10 TRP HE3 . . c25820_2n7t 1 4 1 . . 1 1 9 9 LYS H H . . . 1 1 2 2 NLE HA H . . . . . . . 3.39 . . . . . A . 11 LYS H . . A . 4 NLE HA . . . 11 LYS HN . . . . . 4 NLE HA . . c25820_2n7t 1 5 1 . . 1 1 2 2 NLE HB2 H . . . 1 1 3 3 ASP H H . . . . . . . 3.58 . . . . . A . 4 NLE HB2 . . A . 5 ASP H . . . 4 NLE HB2 . . . . . 5 ASP HN . . c25820_2n7t 1 6 1 . . 1 1 2 2 NLE HB2 H . . . 1 1 8 8 TRP HE3 H . . . . . . . 4.97 . . . . . A . 4 NLE HB2 . . A . 10 TRP HE3 . . . 4 NLE HB2 . . . . . 10 TRP HE3 . . c25820_2n7t 1 7 1 . . 1 1 2 2 NLE HB3 H . . . 1 1 3 3 ASP H H . . . . . . . 3.58 . . . . . A . 4 NLE HB3 . . A . 5 ASP H . . . 4 NLE HB3 . . . . . 5 ASP HN . . c25820_2n7t 1 8 1 . . 1 1 2 2 NLE HB3 H . . . 1 1 8 8 TRP HE3 H . . . . . . . 4.97 . . . . . A . 4 NLE HB3 . . A . 10 TRP HE3 . . . 4 NLE HB3 . . . . . 10 TRP HE3 . . c25820_2n7t 1 9 1 . . 1 1 3 3 ASP H H . . . 1 1 3 3 ASP HB2 H . . . . . . . 3.52 . . . . . A . 5 ASP H . . A . 5 ASP HB2 . . . 5 ASP HN . . . . . 5 ASP HB2 . . c25820_2n7t 1 10 1 . . 1 1 3 3 ASP H H . . . 1 1 3 3 ASP HB3 H . . . . . . . 3.52 . . . . . A . 5 ASP H . . A . 5 ASP HB3 . . . 5 ASP HN . . . . . 5 ASP HB3 . . c25820_2n7t 1 11 1 OR . 1 1 3 3 ASP H H . . . 1 1 3 3 ASP HB2 H . . . . . . . 2.98 . . . . . A . 5 ASP H . . A . 5 ASP HB2 . . . 5 ASP HN . . . . . 5 ASP QB . . c25820_2n7t 1 11 2 OR . 1 1 3 3 ASP H H . . . 1 1 3 3 ASP HB3 H . . . . . . . 2.98 . . . . . A . 5 ASP H . . A . 5 ASP HB3 . . . 5 ASP HN . . . . . 5 ASP QB . . c25820_2n7t 1 12 1 . . 1 1 3 3 ASP H H . . . 1 1 8 8 TRP HA H . . . . . . . 3.89 . . . . . A . 5 ASP H . . A . 10 TRP HA . . . 5 ASP HN . . . . . 10 TRP HA . . c25820_2n7t 1 13 1 . . 1 1 9 9 LYS H H . . . 1 1 3 3 ASP H H . . . . . . . 3.89 . . . . . A . 11 LYS H . . A . 5 ASP H . . . 11 LYS HN . . . . . 5 ASP HN . . c25820_2n7t 1 14 1 . . 1 1 3 3 ASP H H . . . 1 1 9 9 LYS QZ H . . . . . . . 4.88 . . . . . A . 5 ASP H . . A . 11 LYS QZ . . . 5 ASP HN . . . . . 11 LYS HZ1 . . c25820_2n7t 1 15 1 . . 1 1 9 9 LYS QZ H . . . 1 1 3 3 ASP HA H . . . . . . . 4.72 . . . . . A . 11 LYS QZ . . A . 5 ASP HA . . . 11 LYS HZ1 . . . . . 5 ASP HA . . c25820_2n7t 1 16 1 . . 1 1 9 9 LYS QZ H . . . 1 1 3 3 ASP HB2 H . . . . . . . 3.48 . . . . . A . 11 LYS QZ . . A . 5 ASP HB2 . . . 11 LYS HZ1 . . . . . 5 ASP HB2 . . c25820_2n7t 1 17 1 . . 1 1 3 3 ASP HB3 H . . . 1 1 9 9 LYS QZ H . . . . . . . 3.48 . . . . . A . 5 ASP HB3 . . A . 11 LYS QZ . . . 5 ASP HB3 . . . . . 11 LYS HZ1 . . c25820_2n7t 1 18 1 OR . 1 1 9 9 LYS QZ H . . . 1 1 3 3 ASP HB2 H . . . . . . . 2.90 . . . . . A . 11 LYS QZ . . A . 5 ASP HB2 . . . 11 LYS HZ1 . . . . . 5 ASP QB . . c25820_2n7t 1 18 2 OR . 1 1 3 3 ASP HB3 H . . . 1 1 9 9 LYS QZ H . . . . . . . 2.90 . . . . . A . 5 ASP HB3 . . A . 11 LYS QZ . . . 5 ASP QB . . . . . 11 LYS HZ1 . . c25820_2n7t 1 19 1 OR . 1 1 4 4 TRP H H . . . 1 1 4 4 TRP HB2 H . . . . . . . 3.62 . . . . . A . 6 TRP H . . A . 6 TRP HB2 . . . 6 TRP HN . . . . . 6 TRP QB . . c25820_2n7t 1 19 2 OR . 1 1 4 4 TRP H H . . . 1 1 4 4 TRP HB3 H . . . . . . . 3.62 . . . . . A . 6 TRP H . . A . 6 TRP HB3 . . . 6 TRP HN . . . . . 6 TRP QB . . c25820_2n7t 1 20 1 . . 1 1 4 4 TRP HA H . . . 1 1 4 4 TRP HD1 H . . . . . . . 4.97 . . . . . A . 6 TRP HA . . A . 6 TRP HD1 . . . 6 TRP HA . . . . . 6 TRP HD1 . . c25820_2n7t 1 21 1 . . 1 1 4 4 TRP HA H . . . 1 1 4 4 TRP HE3 H . . . . . . . 3.70 . . . . . A . 6 TRP HA . . A . 6 TRP HE3 . . . 6 TRP HA . . . . . 6 TRP HE3 . . c25820_2n7t 1 22 1 . . 1 1 4 4 TRP HA H . . . 1 1 5 5 PRO HA H . . . . . . . 2.59 . . . . . A . 6 TRP HA . . A . 7 PRO HA . . . 6 TRP HA . . . . . 7 PRO HA . . c25820_2n7t 1 23 1 . . 1 1 4 4 TRP HA H . . . 1 1 7 7 ARG H H . . . . . . . 4.17 . . . . . A . 6 TRP HA . . A . 9 ARG H . . . 6 TRP HA . . . . . 9 ARG HN . . c25820_2n7t 1 24 1 OR . 1 1 4 4 TRP HD1 H . . . 1 1 4 4 TRP HB2 H . . . . . . . 3.39 . . . . . A . 6 TRP HD1 . . A . 6 TRP HB2 . . . 6 TRP HD1 . . . . . 6 TRP QB . . c25820_2n7t 1 24 2 OR . 1 1 4 4 TRP HB3 H . . . 1 1 4 4 TRP HD1 H . . . . . . . 3.39 . . . . . A . 6 TRP HB3 . . A . 6 TRP HD1 . . . 6 TRP QB . . . . . 6 TRP HD1 . . c25820_2n7t 1 25 1 OR . 1 1 4 4 TRP HE3 H . . . 1 1 4 4 TRP HB2 H . . . . . . . 3.61 . . . . . A . 6 TRP HE3 . . A . 6 TRP HB2 . . . 6 TRP HE3 . . . . . 6 TRP QB . . c25820_2n7t 1 25 2 OR . 1 1 4 4 TRP HB3 H . . . 1 1 4 4 TRP HE3 H . . . . . . . 3.61 . . . . . A . 6 TRP HB3 . . A . 6 TRP HE3 . . . 6 TRP QB . . . . . 6 TRP HE3 . . c25820_2n7t 1 26 1 . . 1 1 4 4 TRP HD1 H . . . 1 1 5 5 PRO HA H . . . . . . . 4.66 . . . . . A . 6 TRP HD1 . . A . 7 PRO HA . . . 6 TRP HD1 . . . . . 7 PRO HA . . c25820_2n7t 1 27 1 . . 1 1 4 4 TRP HD1 H . . . 1 1 5 5 PRO HB2 H . . . . . . . 5.04 . . . . . A . 6 TRP HD1 . . A . 7 PRO HB2 . . . 6 TRP HD1 . . . . . 7 PRO HB2 . . c25820_2n7t 1 28 1 . . 1 1 4 4 TRP HD1 H . . . 1 1 5 5 PRO HB3 H . . . . . . . 5.04 . . . . . A . 6 TRP HD1 . . A . 7 PRO HB3 . . . 6 TRP HD1 . . . . . 7 PRO HB3 . . c25820_2n7t 1 29 1 OR . 1 1 4 4 TRP HD1 H . . . 1 1 5 5 PRO HB2 H . . . . . . . 4.38 . . . . . A . 6 TRP HD1 . . A . 7 PRO HB2 . . . 6 TRP HD1 . . . . . 7 PRO QB . . c25820_2n7t 1 29 2 OR . 1 1 4 4 TRP HD1 H . . . 1 1 5 5 PRO HB3 H . . . . . . . 4.38 . . . . . A . 6 TRP HD1 . . A . 7 PRO HB3 . . . 6 TRP HD1 . . . . . 7 PRO QB . . c25820_2n7t 1 30 1 OR . 1 1 4 4 TRP HD1 H . . . 1 1 5 5 PRO HD2 H . . . . . . . 4.23 . . . . . A . 6 TRP HD1 . . A . 7 PRO HD2 . . . 6 TRP HD1 . . . . . 7 PRO QD . . c25820_2n7t 1 30 2 OR . 1 1 4 4 TRP HD1 H . . . 1 1 5 5 PRO HD3 H . . . . . . . 4.23 . . . . . A . 6 TRP HD1 . . A . 7 PRO HD3 . . . 6 TRP HD1 . . . . . 7 PRO QD . . c25820_2n7t 1 31 1 . . 1 1 4 4 TRP HE3 H . . . 1 1 5 5 PRO HA H . . . . . . . 3.92 . . . . . A . 6 TRP HE3 . . A . 7 PRO HA . . . 6 TRP HE3 . . . . . 7 PRO HA . . c25820_2n7t 1 32 1 . . 1 1 7 7 ARG H H . . . 1 1 7 7 ARG HB2 H . . . . . . . 3.11 . . . . . A . 9 ARG H . . A . 9 ARG HB2 . . . 9 ARG HN . . . . . 9 ARG HB2 . . c25820_2n7t 1 33 1 . . 1 1 7 7 ARG H H . . . 1 1 7 7 ARG HB3 H . . . . . . . 3.52 . . . . . A . 9 ARG H . . A . 9 ARG HB3 . . . 9 ARG HN . . . . . 9 ARG HB3 . . c25820_2n7t 1 34 1 . . 1 1 7 7 ARG H H . . . 1 1 7 7 ARG HG2 H . . . . . . . 4.72 . . . . . A . 9 ARG H . . A . 9 ARG HG2 . . . 9 ARG HN . . . . . 9 ARG HG2 . . c25820_2n7t 1 35 1 . . 1 1 7 7 ARG H H . . . 1 1 7 7 ARG HG3 H . . . . . . . 4.72 . . . . . A . 9 ARG H . . A . 9 ARG HG3 . . . 9 ARG HN . . . . . 9 ARG HG3 . . c25820_2n7t 1 36 1 OR . 1 1 7 7 ARG H H . . . 1 1 7 7 ARG HG3 H . . . . . . . 4.15 . . . . . A . 9 ARG H . . A . 9 ARG HG3 . . . 9 ARG HN . . . . . 9 ARG QG . . c25820_2n7t 1 36 2 OR . 1 1 7 7 ARG H H . . . 1 1 7 7 ARG HG2 H . . . . . . . 4.15 . . . . . A . 9 ARG H . . A . 9 ARG HG2 . . . 9 ARG HN . . . . . 9 ARG QG . . c25820_2n7t 1 37 1 . . 1 1 7 7 ARG H H . . . 1 1 8 8 TRP H H . . . . . . . 4.23 . . . . . A . 9 ARG H . . A . 10 TRP H . . . 9 ARG HN . . . . . 10 TRP HN . . c25820_2n7t 1 38 1 . . 1 1 8 8 TRP H H . . . 1 1 7 7 ARG HA H . . . . . . . 2.68 . . . . . A . 10 TRP H . . A . 9 ARG HA . . . 10 TRP HN . . . . . 9 ARG HA . . c25820_2n7t 1 39 1 . . 1 1 7 7 ARG HB2 H . . . 1 1 8 8 TRP H H . . . . . . . 3.73 . . . . . A . 9 ARG HB2 . . A . 10 TRP H . . . 9 ARG HB2 . . . . . 10 TRP HN . . c25820_2n7t 1 40 1 . . 1 1 7 7 ARG HB3 H . . . 1 1 8 8 TRP H H . . . . . . . 3.48 . . . . . A . 9 ARG HB3 . . A . 10 TRP H . . . 9 ARG HB3 . . . . . 10 TRP HN . . c25820_2n7t 1 41 1 . . 1 1 8 8 TRP H H . . . 1 1 8 8 TRP HB2 H . . . . . . . 3.11 . . . . . A . 10 TRP H . . A . 10 TRP HB2 . . . 10 TRP HN . . . . . 10 TRP HB2 . . c25820_2n7t 1 42 1 . . 1 1 8 8 TRP H H . . . 1 1 8 8 TRP HB3 H . . . . . . . 3.11 . . . . . A . 10 TRP H . . A . 10 TRP HB3 . . . 10 TRP HN . . . . . 10 TRP HB3 . . c25820_2n7t 1 43 1 . . 1 1 8 8 TRP H H . . . 1 1 8 8 TRP HD1 H . . . . . . . 4.42 . . . . . A . 10 TRP H . . A . 10 TRP HD1 . . . 10 TRP HN . . . . . 10 TRP HD1 . . c25820_2n7t 1 44 1 . . 1 1 8 8 TRP HE3 H . . . 1 1 8 8 TRP H H . . . . . . . 5.50 . . . . . A . 10 TRP HE3 . . A . 10 TRP H . . . 10 TRP HE3 . . . . . 10 TRP HN . . c25820_2n7t 1 45 1 . . 1 1 9 9 LYS H H . . . 1 1 8 8 TRP H H . . . . . . . 4.57 . . . . . A . 11 LYS H . . A . 10 TRP H . . . 11 LYS HN . . . . . 10 TRP HN . . c25820_2n7t 1 46 1 . . 1 1 8 8 TRP HA H . . . 1 1 8 8 TRP HD1 H . . . . . . . 4.82 . . . . . A . 10 TRP HA . . A . 10 TRP HD1 . . . 10 TRP HA . . . . . 10 TRP HD1 . . c25820_2n7t 1 47 1 . . 1 1 8 8 TRP HA H . . . 1 1 8 8 TRP HE3 H . . . . . . . 2.96 . . . . . A . 10 TRP HA . . A . 10 TRP HE3 . . . 10 TRP HA . . . . . 10 TRP HE3 . . c25820_2n7t 1 48 1 . . 1 1 9 9 LYS H H . . . 1 1 8 8 TRP HA H . . . . . . . 2.65 . . . . . A . 11 LYS H . . A . 10 TRP HA . . . 11 LYS HN . . . . . 10 TRP HA . . c25820_2n7t 1 49 1 . . 1 1 8 8 TRP HD1 H . . . 1 1 8 8 TRP HB2 H . . . . . . . 3.39 . . . . . A . 10 TRP HD1 . . A . 10 TRP HB2 . . . 10 TRP HD1 . . . . . 10 TRP HB2 . . c25820_2n7t 1 50 1 . . 1 1 8 8 TRP HE3 H . . . 1 1 8 8 TRP HB2 H . . . . . . . 3.89 . . . . . A . 10 TRP HE3 . . A . 10 TRP HB2 . . . 10 TRP HE3 . . . . . 10 TRP HB2 . . c25820_2n7t 1 51 1 . . 1 1 9 9 LYS H H . . . 1 1 8 8 TRP HB2 H . . . . . . . 4.11 . . . . . A . 11 LYS H . . A . 10 TRP HB2 . . . 11 LYS HN . . . . . 10 TRP HB2 . . c25820_2n7t 1 52 1 . . 1 1 8 8 TRP HD1 H . . . 1 1 8 8 TRP HB3 H . . . . . . . 3.39 . . . . . A . 10 TRP HD1 . . A . 10 TRP HB3 . . . 10 TRP HD1 . . . . . 10 TRP HB3 . . c25820_2n7t 1 53 1 . . 1 1 8 8 TRP HE3 H . . . 1 1 8 8 TRP HB3 H . . . . . . . 3.89 . . . . . A . 10 TRP HE3 . . A . 10 TRP HB3 . . . 10 TRP HE3 . . . . . 10 TRP HB3 . . c25820_2n7t 1 54 1 . . 1 1 9 9 LYS H H . . . 1 1 8 8 TRP HB3 H . . . . . . . 4.11 . . . . . A . 11 LYS H . . A . 10 TRP HB3 . . . 11 LYS HN . . . . . 10 TRP HB3 . . c25820_2n7t 1 55 1 OR . 1 1 8 8 TRP HD1 H . . . 1 1 8 8 TRP HB3 H . . . . . . . 2.95 . . . . . A . 10 TRP HD1 . . A . 10 TRP HB3 . . . 10 TRP HD1 . . . . . 10 TRP QB . . c25820_2n7t 1 55 2 OR . 1 1 8 8 TRP HD1 H . . . 1 1 8 8 TRP HB2 H . . . . . . . 2.95 . . . . . A . 10 TRP HD1 . . A . 10 TRP HB2 . . . 10 TRP HD1 . . . . . 10 TRP QB . . c25820_2n7t 1 56 1 . . 1 1 9 9 LYS H H . . . 1 1 8 8 TRP HE3 H . . . . . . . 4.26 . . . . . A . 11 LYS H . . A . 10 TRP HE3 . . . 11 LYS HN . . . . . 10 TRP HE3 . . c25820_2n7t 1 57 1 . . 1 1 9 9 LYS H H . . . 1 1 9 9 LYS HB2 H . . . . . . . 3.45 . . . . . A . 11 LYS H . . A . 11 LYS HB2 . . . 11 LYS HN . . . . . 11 LYS HB2 . . c25820_2n7t 1 58 1 . . 1 1 9 9 LYS H H . . . 1 1 9 9 LYS HB3 H . . . . . . . 3.45 . . . . . A . 11 LYS H . . A . 11 LYS HB3 . . . 11 LYS HN . . . . . 11 LYS HB3 . . c25820_2n7t 1 59 1 OR . 1 1 9 9 LYS H H . . . 1 1 9 9 LYS HB2 H . . . . . . . 2.88 . . . . . A . 11 LYS H . . A . 11 LYS HB2 . . . 11 LYS HN . . . . . 11 LYS QB . . c25820_2n7t 1 59 2 OR . 1 1 9 9 LYS H H . . . 1 1 9 9 LYS HB3 H . . . . . . . 2.88 . . . . . A . 11 LYS H . . A . 11 LYS HB3 . . . 11 LYS HN . . . . . 11 LYS QB . . c25820_2n7t 1 60 1 . . 1 1 9 9 LYS H H . . . 1 1 9 9 LYS HG2 H . . . . . . . 4.38 . . . . . A . 11 LYS H . . A . 11 LYS HG2 . . . 11 LYS HN . . . . . 11 LYS HG2 . . c25820_2n7t 1 61 1 . . 1 1 9 9 LYS H H . . . 1 1 9 9 LYS HG3 H . . . . . . . 4.38 . . . . . A . 11 LYS H . . A . 11 LYS HG3 . . . 11 LYS HN . . . . . 11 LYS HG3 . . c25820_2n7t 1 62 1 OR . 1 1 9 9 LYS H H . . . 1 1 9 9 LYS HG2 H . . . . . . . 3.78 . . . . . A . 11 LYS H . . A . 11 LYS HG2 . . . 11 LYS HN . . . . . 11 LYS QG . . c25820_2n7t 1 62 2 OR . 1 1 9 9 LYS H H . . . 1 1 9 9 LYS HG3 H . . . . . . . 3.78 . . . . . A . 11 LYS H . . A . 11 LYS HG3 . . . 11 LYS HN . . . . . 11 LYS QG . . c25820_2n7t 1 63 1 . . 1 1 9 9 LYS HA H . . . 1 1 9 9 LYS HB2 H . . . . . . . 2.96 . . . . . A . 11 LYS HA . . A . 11 LYS HB2 . . . 11 LYS HA . . . . . 11 LYS HB2 . . c25820_2n7t 1 64 1 . . 1 1 9 9 LYS HB3 H . . . 1 1 9 9 LYS HA H . . . . . . . 2.96 . . . . . A . 11 LYS HB3 . . A . 11 LYS HA . . . 11 LYS HB3 . . . . . 11 LYS HA . . c25820_2n7t 1 65 1 OR . 1 1 9 9 LYS HA H . . . 1 1 9 9 LYS HB2 H . . . . . . . 2.57 . . . . . A . 11 LYS HA . . A . 11 LYS HB2 . . . 11 LYS HA . . . . . 11 LYS QB . . c25820_2n7t 1 65 2 OR . 1 1 9 9 LYS HB3 H . . . 1 1 9 9 LYS HA H . . . . . . . 2.57 . . . . . A . 11 LYS HB3 . . A . 11 LYS HA . . . 11 LYS QB . . . . . 11 LYS HA . . c25820_2n7t 1 66 1 . . 1 1 9 9 LYS HA H . . . 1 1 9 9 LYS HG2 H . . . . . . . 4.01 . . . . . A . 11 LYS HA . . A . 11 LYS HG2 . . . 11 LYS HA . . . . . 11 LYS HG2 . . c25820_2n7t 1 67 1 . . 1 1 9 9 LYS HG3 H . . . 1 1 9 9 LYS HA H . . . . . . . 4.01 . . . . . A . 11 LYS HG3 . . A . 11 LYS HA . . . 11 LYS HG3 . . . . . 11 LYS HA . . c25820_2n7t 1 68 1 OR . 1 1 9 9 LYS HA H . . . 1 1 9 9 LYS HG2 H . . . . . . . 3.38 . . . . . A . 11 LYS HA . . A . 11 LYS HG2 . . . 11 LYS HA . . . . . 11 LYS QG . . c25820_2n7t 1 68 2 OR . 1 1 9 9 LYS HG3 H . . . 1 1 9 9 LYS HA H . . . . . . . 3.38 . . . . . A . 11 LYS HG3 . . A . 11 LYS HA . . . 11 LYS QG . . . . . 11 LYS HA . . c25820_2n7t 1 69 1 OR . 1 1 9 9 LYS HA H . . . 1 1 9 9 LYS HD2 H . . . . . . . 5.91 . . . . . A . 11 LYS HA . . A . 11 LYS HD2 . . . 11 LYS HA . . . . . 11 LYS QD . . c25820_2n7t 1 69 2 OR . 1 1 9 9 LYS HA H . . . 1 1 9 9 LYS HD3 H . . . . . . . 5.91 . . . . . A . 11 LYS HA . . A . 11 LYS HD3 . . . 11 LYS HA . . . . . 11 LYS QD . . c25820_2n7t 1 70 1 . . 1 1 9 9 LYS QZ H . . . 1 1 9 9 LYS HG2 H . . . . . . . 4.51 . . . . . A . 11 LYS QZ . . A . 11 LYS HG2 . . . 11 LYS HZ1 . . . . . 11 LYS HG2 . . c25820_2n7t 1 71 1 . . 1 1 9 9 LYS QZ H . . . 1 1 9 9 LYS HG3 H . . . . . . . 4.51 . . . . . A . 11 LYS QZ . . A . 11 LYS HG3 . . . 11 LYS HZ1 . . . . . 11 LYS HG3 . . c25820_2n7t 1 72 1 OR . 1 1 9 9 LYS HE2 H . . . 1 1 9 9 LYS HG2 H . . . . . . . 3.24 . . . . . A . 11 LYS HE2 . . A . 11 LYS HG2 . . . 11 LYS QE . . . . . 11 LYS QG . . c25820_2n7t 1 72 2 OR . 1 1 9 9 LYS HG3 H . . . 1 1 9 9 LYS HE2 H . . . . . . . 3.24 . . . . . A . 11 LYS HG3 . . A . 11 LYS HE2 . . . 11 LYS QG . . . . . 11 LYS QE . . c25820_2n7t 1 72 3 OR . 1 1 9 9 LYS HG3 H . . . 1 1 9 9 LYS HE3 H . . . . . . . 3.24 . . . . . A . 11 LYS HG3 . . A . 11 LYS HE3 . . . 11 LYS QG . . . . . 11 LYS QE . . c25820_2n7t 1 72 4 OR . 1 1 9 9 LYS HE3 H . . . 1 1 9 9 LYS HG2 H . . . . . . . 3.24 . . . . . A . 11 LYS HE3 . . A . 11 LYS HG2 . . . 11 LYS QE . . . . . 11 LYS QG . . c25820_2n7t 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.QH' (nmrStar names) not linked" c25820_2n7t 1 2 2 2 1 "Not handling restraint 2, item 1, resonance(s) ' .4.HN' (nmrStar names) not linked" c25820_2n7t 1 3 2 3 1 "Not handling restraint 3, item 1, resonance(s) ' .4.HN' (nmrStar names) not linked" c25820_2n7t 1 4 2 4 1 "Not handling restraint 4, item 1, resonance(s) ' .4.HN' (nmrStar names),' .4.QB' (nmrStar names) not linked" c25820_2n7t 1 5 2 5 1 "Not handling restraint 5, item 1, resonance(s) ' .4.HN' (nmrStar names),' .4.QD' (nmrStar names) not linked" c25820_2n7t 1 6 2 6 1 "Not handling restraint 6, item 1, resonance(s) ' .4.HN' (nmrStar names) not linked" c25820_2n7t 1 7 2 12 1 "Not handling restraint 12, item 1, resonance(s) ' .8.HD1' (nmrStar names) not linked" c25820_2n7t 1 8 2 15 1 "Not handling restraint 15, item 1, resonance(s) ' .8.HD1' (nmrStar names) not linked" c25820_2n7t 1 9 2 17 1 "Not handling restraint 17, item 1, resonance(s) ' .4.QB' (nmrStar names),' .8.HD2' (nmrStar names) not linked" c25820_2n7t 1 10 2 18 1 "Not handling restraint 18, item 1, resonance(s) ' .4.QB' (nmrStar names) not linked" c25820_2n7t 1 11 2 19 1 "Not handling restraint 19, item 1, resonance(s) ' .4.QB' (nmrStar names) not linked" c25820_2n7t 1 12 2 20 1 "Not handling restraint 20, item 1, resonance(s) ' .8.HD2' (nmrStar names),' .4.QG' (nmrStar names) not linked" c25820_2n7t 1 13 2 21 1 "Not handling restraint 21, item 1, resonance(s) ' .4.QG' (nmrStar names) not linked" c25820_2n7t 1 14 2 22 1 "Not handling restraint 22, item 1, resonance(s) ' .4.QG' (nmrStar names) not linked" c25820_2n7t 1 15 2 23 1 "Not handling restraint 23, item 1, resonance(s) ' .4.QD' (nmrStar names) not linked" c25820_2n7t 1 16 2 24 1 "Not handling restraint 24, item 1, resonance(s) ' .4.QD' (nmrStar names),' .8.HD1' (nmrStar names) not linked" c25820_2n7t 1 17 2 25 1 "Not handling restraint 25, item 1, resonance(s) ' .4.QD' (nmrStar names),' .8.HD2' (nmrStar names) not linked" c25820_2n7t 1 18 2 26 1 "Not handling restraint 26, item 1, resonance(s) ' .4.QD' (nmrStar names) not linked" c25820_2n7t 1 19 2 27 1 "Not handling restraint 27, item 1, resonance(s) ' .4.QD' (nmrStar names) not linked" c25820_2n7t 1 20 2 28 1 "Not handling restraint 28, item 1, resonance(s) ' .4.QE' (nmrStar names),' .8.HE3' (nmrStar names) not linked" c25820_2n7t 1 21 2 29 1 "Not handling restraint 29, item 1, resonance(s) ' .8.HD2' (nmrStar names),' .4.QE' (nmrStar names) not linked" c25820_2n7t 1 22 2 30 1 "Not handling restraint 30, item 1, resonance(s) ' .4.QE' (nmrStar names) not linked" c25820_2n7t 1 23 2 31 1 "Not handling restraint 31, item 1, resonance(s) ' .4.QE' (nmrStar names) not linked" c25820_2n7t 1 24 2 46 1 "Not handling restraint 46, item 1, resonance(s) ' .8.HN' (nmrStar names) not linked" c25820_2n7t 1 25 2 47 1 "Not handling restraint 47, item 1, resonance(s) ' .8.HD1' (nmrStar names) not linked" c25820_2n7t 1 26 2 48 1 "Not handling restraint 48, item 1, resonance(s) ' .8.HD2' (nmrStar names) not linked" c25820_2n7t 1 27 2 58 1 "Not handling restraint 58, item 1, resonance(s) ' .8.HZ2' (nmrStar names) not linked" c25820_2n7t 1 28 2 59 1 "Not handling restraint 59, item 1, resonance(s) ' .8.HE1' (nmrStar names) not linked" c25820_2n7t 1 29 2 60 1 "Not handling restraint 60, item 1, resonance(s) ' .8.HZ2' (nmrStar names) not linked" c25820_2n7t 1 30 2 61 1 "Not handling restraint 61, item 1, resonance(s) ' .8.HN' (nmrStar names) not linked" c25820_2n7t 1 31 2 62 1 "Not handling restraint 62, item 1, resonance(s) ' .8.HN' (nmrStar names) not linked" c25820_2n7t 1 32 2 62 1 "Not handling restraint 62, item 1, resonance(s) ' .8.HN' (nmrStar names) not linked" c25820_2n7t 1 33 2 63 1 "Not handling restraint 63, item 1, resonance(s) ' .8.HN' (nmrStar names),' .8.HB2' (nmrStar names) not linked" c25820_2n7t 1 34 2 64 1 "Not handling restraint 64, item 1, resonance(s) ' .8.HN' (nmrStar names),' .8.HB3' (nmrStar names) not linked" c25820_2n7t 1 35 2 65 1 "Not handling restraint 65, item 1, resonance(s) ' .8.HD1' (nmrStar names),' .8.HN' (nmrStar names) not linked" c25820_2n7t 1 36 2 66 1 "Not handling restraint 66, item 1, resonance(s) ' .8.HD2' (nmrStar names),' .8.HN' (nmrStar names) not linked" c25820_2n7t 1 37 2 67 1 "Not handling restraint 67, item 1, resonance(s) ' .8.HN' (nmrStar names) not linked" c25820_2n7t 1 38 2 68 1 "Not handling restraint 68, item 1, resonance(s) ' .8.HD1' (nmrStar names),' .8.HA' (nmrStar names) not linked" c25820_2n7t 1 39 2 69 1 "Not handling restraint 69, item 1, resonance(s) ' .8.HD2' (nmrStar names),' .8.HA' (nmrStar names) not linked" c25820_2n7t 1 40 2 70 1 "Not handling restraint 70, item 1, resonance(s) ' .8.HA' (nmrStar names) not linked" c25820_2n7t 1 41 2 71 1 "Not handling restraint 71, item 1, resonance(s) ' .8.HD1' (nmrStar names),' .8.HB2' (nmrStar names) not linked" c25820_2n7t 1 42 2 72 1 "Not handling restraint 72, item 1, resonance(s) ' .8.HD2' (nmrStar names),' .8.HB2' (nmrStar names) not linked" c25820_2n7t 1 43 2 73 1 "Not handling restraint 73, item 1, resonance(s) ' .8.HB2' (nmrStar names) not linked" c25820_2n7t 1 44 2 74 1 "Not handling restraint 74, item 1, resonance(s) ' .8.HD1' (nmrStar names),' .8.HB3' (nmrStar names) not linked" c25820_2n7t 1 45 2 75 1 "Not handling restraint 75, item 1, resonance(s) ' .8.HD2' (nmrStar names),' .8.HB3' (nmrStar names) not linked" c25820_2n7t 1 46 2 76 1 "Not handling restraint 76, item 1, resonance(s) ' .8.HB3' (nmrStar names) not linked" c25820_2n7t 1 47 2 77 1 "Not handling restraint 77, item 1, resonance(s) ' .8.HD1' (nmrStar names),' .8.QB' (nmrStar names) not linked" c25820_2n7t 1 48 2 78 1 "Not handling restraint 78, item 1, resonance(s) ' .8.HD2' (nmrStar names),' .8.QB' (nmrStar names) not linked" c25820_2n7t 1 49 2 79 1 "Not handling restraint 79, item 1, resonance(s) ' .8.HD1' (nmrStar names) not linked" c25820_2n7t 1 50 2 80 1 "Not handling restraint 80, item 1, resonance(s) ' .8.HD2' (nmrStar names) not linked" c25820_2n7t 1 51 2 105 1 "Not handling restraint 105, item 1, resonance(s) ' .12.HN1' (nmrStar names) not linked" c25820_2n7t 1 52 2 107 1 "Not handling restraint 107, item 1, resonance(s) ' .12.HN1' (nmrStar names) not linked" c25820_2n7t 1 53 2 114 1 "Not handling restraint 114, item 1, resonance(s) ' .12.HN1' (nmrStar names) not linked" c25820_2n7t 1 stop_ save_ save_MR_file_comment_1 _Org_constr_file_comment.Sf_framecode MR_file_comment_1 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID c25820_2n7t _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 17-SEP-15 2N7T *TITLE NMR STRUCTURE OF PEPTIDE PG-992 IN DPC MICELLES *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: PEPTIDE PG-992; *COMPND 3 CHAIN: A; *COMPND 4 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES *KEYWDS DE NOVO PROTEIN *EXPDTA SOLUTION NMR *NUMMDL 10 *AUTHOR A.CAROTENUTO, F.MERLINO, M.CHAI, D.BRANCACCIO, A.YOUSIF, E.NOVELLINO, *AUTHOR 2 V.HRUBY, P.GRIECO *REVDAT 1 16-DEC-15 2N7T 0' save_