data_c25813_2n7n ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID c25813_2n7n _Entry.Title ; NMR structure of Peptide PG-989 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 . . . c25813_2n7n 2 Francesco Merlino . . . c25813_2n7n 3 Minying Chai . . . c25813_2n7n 4 Diego Brancaccio . . . c25813_2n7n 5 'Ali Munaim' Yousif . . . c25813_2n7n 6 Ettore Novellino . . . c25813_2n7n 7 'Victor J' Hruby . . . c25813_2n7n 8 Paolo Grieco . . . c25813_2n7n 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' . c25813_2n7n stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'DPC micelles' . c25813_2n7n 'MC3 Receptor' . c25813_2n7n 'NMR Conformational Analysis' . c25813_2n7n Peptide . c25813_2n7n stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 c25813_2n7n stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 74 c25813_2n7n 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 . c25813_2n7n stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25814 'Peptide PG-990 in DPC micelles' c25813_2n7n BMRB 25820 'Peptide PG-992 in DPC micelles' c25813_2n7n PDB 2N7N 'BMRB Entry Tracking System' c25813_2n7n stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID c25813_2n7n _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 . . . c25813_2n7n 1 2 Francesco Merlino . . . c25813_2n7n 1 3 Minying Chai . . . c25813_2n7n 1 4 Diego Brancaccio . . . c25813_2n7n 1 5 'Ali Munaim' Yousif . . . c25813_2n7n 1 6 Ettore Novellino . . . c25813_2n7n 1 7 'Victor J' Hruby . . . c25813_2n7n 1 8 Paolo Grieco . . . c25813_2n7n 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID c25813_2n7n _Assembly.ID 1 _Assembly.Name 'Peptide PG-989' _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-989 1 $PG-989 A . yes native no no . . . c25813_2n7n 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PG-989 _Entity.Sf_category entity _Entity.Sf_framecode PG-989 _Entity.Entry_ID c25813_2n7n _Entity.ID 1 _Entity.BMRB_code . _Entity.Name PG-989 _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 ; XDPPXRWKX ; _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 1058.268 _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 . c25813_2n7n 1 2 4 NLE . c25813_2n7n 1 3 5 ASP . c25813_2n7n 1 4 6 PRO . c25813_2n7n 1 5 7 PRO . c25813_2n7n 1 6 8 DPN . c25813_2n7n 1 7 9 ARG . c25813_2n7n 1 8 10 TRP . c25813_2n7n 1 9 11 LYS . c25813_2n7n 1 10 12 NH2 . c25813_2n7n 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 c25813_2n7n 1 . NLE 2 2 c25813_2n7n 1 . ASP 3 3 c25813_2n7n 1 . PRO 4 4 c25813_2n7n 1 . PRO 5 5 c25813_2n7n 1 . DPN 6 6 c25813_2n7n 1 . ARG 7 7 c25813_2n7n 1 . TRP 8 8 c25813_2n7n 1 . LYS 9 9 c25813_2n7n 1 . NH2 10 10 c25813_2n7n 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 c25813_2n7n _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-989 . 562 'no natural source' . 'Escherichia coli' enterobacteria . . Bacteria . Escherichia coli . . . . . . . . . . . . . c25813_2n7n 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 c25813_2n7n _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-989 . 'chemical synthesis' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . c25813_2n7n 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 c25813_2n7n _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 c25813_2n7n NLE CCCC[C@@H](C(=O)O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 c25813_2n7n NLE CCCC[C@H](N)C(O)=O SMILES_CANONICAL CACTVS 3.341 c25813_2n7n NLE CCCC[CH](N)C(O)=O SMILES CACTVS 3.341 c25813_2n7n 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 c25813_2n7n NLE LRQKBLKVPFOOQJ-YFKPBYRVSA-N InChIKey InChI 1.03 c25813_2n7n NLE O=C(O)C(N)CCCC SMILES ACDLabs 10.04 c25813_2n7n 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 c25813_2n7n NLE L-norleucine 'SYSTEMATIC NAME' ACDLabs 10.04 c25813_2n7n 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 . c25813_2n7n NLE CA CA CA CA . C . . S 0 . . . 1 no no . . . . 15.812 . 40.611 . 17.285 . 0.763 0.319 0.492 2 . c25813_2n7n NLE C C C C . C . . N 0 . . . 1 no no . . . . 16.773 . 41.690 . 16.789 . 2.084 -0.218 0.003 3 . c25813_2n7n NLE O O O O . O . . N 0 . . . 1 no no . . . . 16.479 . 42.322 . 15.753 . 2.747 0.426 -0.776 4 . c25813_2n7n NLE OXT OXT OXT OXT . O . . N 0 . . . 1 no yes . . . . 17.818 . 41.883 . 17.441 . 2.524 -1.411 0.433 5 . c25813_2n7n NLE CB CB CB CB . C . . N 0 . . . 1 no no . . . . 14.816 . 41.205 . 18.283 . -0.375 -0.340 -0.289 6 . c25813_2n7n NLE CG CG CG CG . C . . N 0 . . . 1 no no . . . . 13.697 . 40.254 . 18.678 . -1.718 0.110 0.290 7 . c25813_2n7n NLE CD CD CD CD . C . . N 0 . . . 1 no no . . . . 12.730 . 40.911 . 19.645 . -2.857 -0.549 -0.491 8 . c25813_2n7n NLE CE CE CE CE . C . . N 0 . . . 1 no no . . . . 11.636 . 39.956 . 20.071 . -4.200 -0.099 0.087 9 . c25813_2n7n NLE H H H 1HN . H . . N 0 . . . 1 no no . . . . 16.728 . 38.807 . 17.216 . 0.822 2.004 -0.689 10 . c25813_2n7n NLE HN2 HN2 HN2 2HN . H . . N 0 . . . 1 no yes . . . . 17.429 . 39.863 . 18.245 . -0.129 2.166 0.666 11 . c25813_2n7n NLE HA HA HA HA . H . . N 0 . . . 1 no no . . . . 15.250 . 40.215 . 16.426 . 0.652 0.097 1.553 12 . c25813_2n7n NLE HXT HXT HXT HXT . H . . N 0 . . . 1 no yes . . . . 18.329 . 42.568 . 17.026 . 3.377 -1.713 0.092 13 . c25813_2n7n NLE HB2 HB2 HB2 1HB . H . . N 0 . . . 1 no no . . . . 15.369 . 41.477 . 19.194 . -0.315 -0.046 -1.337 14 . c25813_2n7n NLE HB3 HB3 HB3 2HB . H . . N 0 . . . 1 no no . . . . 14.345 . 42.069 . 17.792 . -0.290 -1.424 -0.211 15 . c25813_2n7n NLE HG2 HG2 HG2 1HG . H . . N 0 . . . 1 no no . . . . 13.147 . 39.956 . 17.773 . -1.779 -0.184 1.338 16 . c25813_2n7n NLE HG3 HG3 HG3 2HG . H . . N 0 . . . 1 no no . . . . 14.143 . 39.379 . 19.173 . -1.803 1.194 0.211 17 . c25813_2n7n NLE HD2 HD2 HD2 1HD . H . . N 0 . . . 1 no no . . . . 13.286 . 41.234 . 20.538 . -2.796 -0.255 -1.539 18 . c25813_2n7n NLE HD3 HD3 HD3 2HD . H . . N 0 . . . 1 no no . . . . 12.263 . 41.768 . 19.138 . -2.772 -1.633 -0.413 19 . c25813_2n7n NLE HE1 HE1 HE1 1HE . H . . N 0 . . . 1 no no . . . . 11.747 . 39.724 . 21.141 . -4.284 0.985 0.009 20 . c25813_2n7n NLE HE2 HE2 HE2 2HE . H . . N 0 . . . 1 no no . . . . 10.655 . 40.422 . 19.897 . -5.011 -0.568 -0.469 21 . c25813_2n7n NLE HE3 HE3 HE3 3HE . H . . N 0 . . . 1 no no . . . . 11.711 . 39.028 . 19.485 . -4.260 -0.393 1.135 22 . c25813_2n7n 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 . c25813_2n7n NLE 2 . SING N H no N 2 . c25813_2n7n NLE 3 . SING N HN2 no N 3 . c25813_2n7n NLE 4 . SING CA C no N 4 . c25813_2n7n NLE 5 . SING CA CB no N 5 . c25813_2n7n NLE 6 . SING CA HA no N 6 . c25813_2n7n NLE 7 . DOUB C O no N 7 . c25813_2n7n NLE 8 . SING C OXT no N 8 . c25813_2n7n NLE 9 . SING OXT HXT no N 9 . c25813_2n7n NLE 10 . SING CB CG no N 10 . c25813_2n7n NLE 11 . SING CB HB2 no N 11 . c25813_2n7n NLE 12 . SING CB HB3 no N 12 . c25813_2n7n NLE 13 . SING CG CD no N 13 . c25813_2n7n NLE 14 . SING CG HG2 no N 14 . c25813_2n7n NLE 15 . SING CG HG3 no N 15 . c25813_2n7n NLE 16 . SING CD CE no N 16 . c25813_2n7n NLE 17 . SING CD HD2 no N 17 . c25813_2n7n NLE 18 . SING CD HD3 no N 18 . c25813_2n7n NLE 19 . SING CE HE1 no N 19 . c25813_2n7n NLE 20 . SING CE HE2 no N 20 . c25813_2n7n NLE 21 . SING CE HE3 no N 21 . c25813_2n7n NLE stop_ save_ save_chem_comp_NH2 _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_NH2 _Chem_comp.Entry_ID c25813_2n7n _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 c25813_2n7n NH2 N SMILES ACDLabs 10.04 c25813_2n7n NH2 QGZKDVFQNNGYKY-UHFFFAOYAF InChIKey InChI 1.02b c25813_2n7n NH2 [NH2] SMILES CACTVS 3.341 c25813_2n7n NH2 [NH2] SMILES 'OpenEye OEToolkits' 1.5.0 c25813_2n7n NH2 [NH2] SMILES_CANONICAL CACTVS 3.341 c25813_2n7n NH2 [NH2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 c25813_2n7n 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 c25813_2n7n NH2 l^{2}-azane 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 c25813_2n7n 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 . c25813_2n7n NH2 HN1 HN1 HN1 1HN . H . . N 0 . . . 1 no no . . . . 9.517 . 8.769 . -7.044 . -0.385 -0.545 -0.771 2 . c25813_2n7n NH2 HN2 HN2 HN2 2HN . H . . N 0 . . . 1 no no . . . . 10.323 . 9.890 . -8.082 . 1.020 0.000 0.000 3 . c25813_2n7n 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 . c25813_2n7n NH2 2 . SING N HN2 no N 2 . c25813_2n7n NH2 stop_ save_ save_chem_comp_ACE _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ACE _Chem_comp.Entry_ID c25813_2n7n _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 c25813_2n7n ACE CC=O SMILES 'OpenEye OEToolkits' 1.5.0 c25813_2n7n ACE CC=O SMILES_CANONICAL CACTVS 3.341 c25813_2n7n ACE CC=O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 c25813_2n7n ACE IKHGUXGNUITLKF-UHFFFAOYSA-N InChIKey InChI 1.03 c25813_2n7n ACE InChI=1S/C2H4O/c1-2-3/h2H,1H3 InChI InChI 1.03 c25813_2n7n ACE O=CC SMILES ACDLabs 10.04 c25813_2n7n 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 c25813_2n7n ACE ethanal 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 c25813_2n7n 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 . c25813_2n7n ACE O O O O . O . . N 0 . . . 1 no no . . . . 1.973 . -10.223 . 6.862 . -1.113 -0.252 0.000 2 . c25813_2n7n ACE CH3 CH3 CH3 CH3 . C . . N 0 . . . 1 no no . . . . -0.322 . -10.677 . 7.405 . 1.241 -0.167 0.000 3 . c25813_2n7n ACE H H H H . H . . N 0 . . . 1 no no . . . . 0.685 . -9.453 . 5.669 . -0.240 1.528 0.000 4 . c25813_2n7n ACE H1 H1 H1 1H . H . . N 0 . . . 1 no no . . . . -1.191 . -10.444 . 7.018 . 1.360 -0.785 0.890 5 . c25813_2n7n ACE H2 H2 H2 2H . H . . N 0 . . . 1 no no . . . . -0.269 . -10.331 . 8.320 . 1.360 -0.785 -0.890 6 . c25813_2n7n ACE H3 H3 H3 3H . H . . N 0 . . . 1 no no . . . . -0.221 . -11.652 . 7.418 . 1.995 0.620 0.000 7 . c25813_2n7n 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 . c25813_2n7n ACE 2 . SING C CH3 no N 2 . c25813_2n7n ACE 3 . SING C H no N 3 . c25813_2n7n ACE 4 . SING CH3 H1 no N 4 . c25813_2n7n ACE 5 . SING CH3 H2 no N 5 . c25813_2n7n ACE 6 . SING CH3 H3 no N 6 . c25813_2n7n ACE stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID c25813_2n7n _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-989 'natural abundance' . . 1 $PG-989 . . 2 . . mM . . . . c25813_2n7n 1 2 DPC [U-2H] . . . . . . 200 . . mM . . . . c25813_2n7n 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . c25813_2n7n 1 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . c25813_2n7n 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 c25813_2n7n _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 c25813_2n7n 1 pH 5.5 . pH c25813_2n7n 1 pressure 1 . atm c25813_2n7n 1 temperature 298.0 . K c25813_2n7n 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID c25813_2n7n _Software.ID 1 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . c25813_2n7n 1 XEASY . . c25813_2n7n 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' c25813_2n7n 1 'structure solution' c25813_2n7n 1 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 c25813_2n7n _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 c25813_2n7n _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 . . . c25813_2n7n 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 c25813_2n7n _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 . . . . . . . . . . . . . . . . c25813_2n7n 1 2 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . c25813_2n7n 1 3 '2D DQF-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . c25813_2n7n 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 c25813_2n7n _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 . . . . . . . . . c25813_2n7n 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 c25813_2n7n _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' . . . c25813_2n7n 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 1.862 0.000 . . . . . . 3 ACE H . c25813_2n7n 1 2 . 1 1 1 1 ACE H2 H 1 1.862 0.000 . . . . . . 3 ACE H . c25813_2n7n 1 3 . 1 1 1 1 ACE H3 H 1 1.862 0.000 . . . . . . 3 ACE H . c25813_2n7n 1 4 . 1 1 2 2 NLE HA H 1 5.030 0.000 . . . . . A 4 NLE HA . c25813_2n7n 1 5 . 1 1 2 2 NLE HB2 H 1 1.482 0.000 . . . . . A 4 NLE HB2 . c25813_2n7n 1 6 . 1 1 2 2 NLE HB3 H 1 1.540 0.000 . . . . . A 4 NLE HB3 . c25813_2n7n 1 7 . 1 1 2 2 NLE HN H 1 7.876 0.000 . . . . . A 4 NLE HN . c25813_2n7n 1 8 . 1 1 2 2 NLE HD2 H 1 0.816 0.000 . . . . . A 4 NLE HD2 . c25813_2n7n 1 9 . 1 1 2 2 NLE HD3 H 1 0.816 0.000 . . . . . A 4 NLE HD3 . c25813_2n7n 1 10 . 1 1 2 2 NLE HE1 H 1 0.491 0.001 . . . . . A 4 NLE HE1 . c25813_2n7n 1 11 . 1 1 2 2 NLE HE2 H 1 0.491 0.001 . . . . . A 4 NLE HE2 . c25813_2n7n 1 12 . 1 1 2 2 NLE HE3 H 1 0.491 0.001 . . . . . A 4 NLE HE3 . c25813_2n7n 1 13 . 1 1 2 2 NLE HG2 H 1 1.140 0.004 . . . . . A 4 NLE HG2 . c25813_2n7n 1 14 . 1 1 2 2 NLE HG3 H 1 1.140 0.004 . . . . . A 4 NLE HG3 . c25813_2n7n 1 15 . 1 1 3 3 ASP H H 1 8.826 0.000 . . . . . A 5 ASP H . c25813_2n7n 1 16 . 1 1 3 3 ASP HA H 1 5.506 0.000 . . . . . A 5 ASP HA . c25813_2n7n 1 17 . 1 1 3 3 ASP HB2 H 1 2.414 0.000 . . . . . A 5 ASP HB2 . c25813_2n7n 1 18 . 1 1 3 3 ASP HB3 H 1 2.775 0.001 . . . . . A 5 ASP HB3 . c25813_2n7n 1 19 . 1 1 4 4 PRO HA H 1 4.098 0.000 . . . . . A 6 PRO HA . c25813_2n7n 1 20 . 1 1 4 4 PRO HB2 H 1 1.984 0.000 . . . . . A 6 PRO HB2 . c25813_2n7n 1 21 . 1 1 4 4 PRO HB3 H 1 2.234 0.000 . . . . . A 6 PRO HB3 . c25813_2n7n 1 22 . 1 1 4 4 PRO HG2 H 1 1.870 0.001 . . . . . A 6 PRO HG2 . c25813_2n7n 1 23 . 1 1 4 4 PRO HG3 H 1 2.009 0.000 . . . . . A 6 PRO HG3 . c25813_2n7n 1 24 . 1 1 4 4 PRO HD2 H 1 3.819 0.000 . . . . . A 6 PRO HD2 . c25813_2n7n 1 25 . 1 1 4 4 PRO HD3 H 1 3.981 0.000 . . . . . A 6 PRO HD3 . c25813_2n7n 1 26 . 1 1 5 5 PRO HA H 1 4.329 0.000 . . . . . A 7 PRO HA . c25813_2n7n 1 27 . 1 1 5 5 PRO HB2 H 1 2.034 0.001 . . . . . A 7 PRO HB2 . c25813_2n7n 1 28 . 1 1 5 5 PRO HB3 H 1 2.426 0.000 . . . . . A 7 PRO HB3 . c25813_2n7n 1 29 . 1 1 5 5 PRO HG2 H 1 1.536 0.000 . . . . . A 7 PRO HG2 . c25813_2n7n 1 30 . 1 1 5 5 PRO HG3 H 1 1.970 0.001 . . . . . A 7 PRO HG3 . c25813_2n7n 1 31 . 1 1 5 5 PRO HD2 H 1 3.262 0.000 . . . . . A 7 PRO HD2 . c25813_2n7n 1 32 . 1 1 5 5 PRO HD3 H 1 3.485 0.000 . . . . . A 7 PRO HD3 . c25813_2n7n 1 33 . 1 1 6 6 DPN H H 1 8.716 0.000 . . . . . A 8 DPN H . c25813_2n7n 1 34 . 1 1 6 6 DPN HA H 1 4.731 0.000 . . . . . A 8 DPN HA . c25813_2n7n 1 35 . 1 1 6 6 DPN HB2 H 1 2.776 0.000 . . . . . A 8 DPN HB2 . c25813_2n7n 1 36 . 1 1 6 6 DPN HB3 H 1 2.858 0.000 . . . . . A 8 DPN HB3 . c25813_2n7n 1 37 . 1 1 6 6 DPN HD1 H 1 6.937 0.000 . . . . . A 8 DPN HD1 . c25813_2n7n 1 38 . 1 1 6 6 DPN HD2 H 1 6.937 0.000 . . . . . A 8 DPN HD2 . c25813_2n7n 1 39 . 1 1 6 6 DPN HE1 H 1 6.978 0.000 . . . . . A 8 DPN HE1 . c25813_2n7n 1 40 . 1 1 6 6 DPN HE2 H 1 6.978 0.000 . . . . . A 8 DPN HE2 . c25813_2n7n 1 41 . 1 1 7 7 ARG H H 1 8.506 0.000 . . . . . A 9 ARG H . c25813_2n7n 1 42 . 1 1 7 7 ARG HA H 1 4.723 0.000 . . . . . A 9 ARG HA . c25813_2n7n 1 43 . 1 1 7 7 ARG HB2 H 1 1.677 0.000 . . . . . A 9 ARG HB2 . c25813_2n7n 1 44 . 1 1 7 7 ARG HB3 H 1 1.874 0.000 . . . . . A 9 ARG HB3 . c25813_2n7n 1 45 . 1 1 7 7 ARG HG2 H 1 1.464 0.000 . . . . . A 9 ARG HG2 . c25813_2n7n 1 46 . 1 1 7 7 ARG HG3 H 1 1.559 0.000 . . . . . A 9 ARG HG3 . c25813_2n7n 1 47 . 1 1 7 7 ARG HD2 H 1 3.242 0.000 . . . . . A 9 ARG HD2 . c25813_2n7n 1 48 . 1 1 7 7 ARG HD3 H 1 3.242 0.000 . . . . . A 9 ARG HD3 . c25813_2n7n 1 49 . 1 1 7 7 ARG HE H 1 7.352 0.000 . . . . . A 9 ARG HE . c25813_2n7n 1 50 . 1 1 8 8 TRP H H 1 9.085 0.000 . . . . . A 10 TRP H . c25813_2n7n 1 51 . 1 1 8 8 TRP HA H 1 5.187 0.000 . . . . . A 10 TRP HA . c25813_2n7n 1 52 . 1 1 8 8 TRP HB2 H 1 3.122 0.000 . . . . . A 10 TRP HB2 . c25813_2n7n 1 53 . 1 1 8 8 TRP HB3 H 1 3.381 0.000 . . . . . A 10 TRP HB3 . c25813_2n7n 1 54 . 1 1 8 8 TRP HD1 H 1 7.256 0.000 . . . . . A 10 TRP HD1 . c25813_2n7n 1 55 . 1 1 8 8 TRP HE1 H 1 10.678 0.000 . . . . . A 10 TRP HE1 . c25813_2n7n 1 56 . 1 1 8 8 TRP HE3 H 1 7.661 0.000 . . . . . A 10 TRP HE3 . c25813_2n7n 1 57 . 1 1 8 8 TRP HZ2 H 1 7.467 0.000 . . . . . A 10 TRP HZ2 . c25813_2n7n 1 58 . 1 1 8 8 TRP HZ3 H 1 6.933 0.000 . . . . . A 10 TRP HZ3 . c25813_2n7n 1 59 . 1 1 8 8 TRP HH2 H 1 7.051 0.000 . . . . . A 10 TRP HH2 . c25813_2n7n 1 60 . 1 1 9 9 LYS H H 1 8.679 0.000 . . . . . A 11 LYS H . c25813_2n7n 1 61 . 1 1 9 9 LYS HA H 1 4.111 0.000 . . . . . A 11 LYS HA . c25813_2n7n 1 62 . 1 1 9 9 LYS HB2 H 1 1.495 0.000 . . . . . A 11 LYS HB2 . c25813_2n7n 1 63 . 1 1 9 9 LYS HB3 H 1 1.685 0.000 . . . . . A 11 LYS HB3 . c25813_2n7n 1 64 . 1 1 9 9 LYS HG2 H 1 1.151 0.000 . . . . . A 11 LYS HG2 . c25813_2n7n 1 65 . 1 1 9 9 LYS HG3 H 1 1.260 0.000 . . . . . A 11 LYS HG3 . c25813_2n7n 1 66 . 1 1 9 9 LYS HD2 H 1 1.469 0.000 . . . . . A 11 LYS HD2 . c25813_2n7n 1 67 . 1 1 9 9 LYS HD3 H 1 1.469 0.000 . . . . . A 11 LYS HD3 . c25813_2n7n 1 68 . 1 1 9 9 LYS HE2 H 1 2.966 0.000 . . . . . A 11 LYS HE2 . c25813_2n7n 1 69 . 1 1 9 9 LYS HE3 H 1 3.387 0.000 . . . . . A 11 LYS HE3 . c25813_2n7n 1 70 . 1 1 9 9 LYS HZ1 H 1 7.914 0.000 . . . . . A 11 LYS HZ1 . c25813_2n7n 1 71 . 1 1 9 9 LYS HZ2 H 1 7.914 0.000 . . . . . A 11 LYS QZ . c25813_2n7n 1 72 . 1 1 9 9 LYS HZ3 H 1 7.914 0.000 . . . . . A 11 LYS QZ . c25813_2n7n 1 73 . 1 1 10 10 NH2 HN1 H 1 6.201 0.000 . . . . . A 12 NH2 HN1 . c25813_2n7n 1 74 . 1 1 10 10 NH2 HN2 H 1 7.089 0.001 . . . . . A 12 NH2 HN2 . c25813_2n7n 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 c25813_2n7n _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 c25813_2n7n _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 . . . c25813_2n7n 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 . . . . c25813_2n7n 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 2.856 -3.722 0.134 . . . 1.0 . . . . . . . . . . . . A . 3 ACE C . . . . . . . . . c25813_2n7n 1 . 1 . 2 . 1 1 1 ACE CH3 C 3.781 -4.912 -0.023 . . . 1.0 . . . . . . . . . . . . A . 3 ACE CH3 . . . . . . . . . c25813_2n7n 1 . 1 . 3 . 1 1 1 ACE H1 H 3.386 -5.610 -0.784 . . . 1.0 . . . . . . . . . . . . A . 3 ACE H1 . . . . . . . . . c25813_2n7n 1 . 1 . 4 . 1 1 1 ACE H2 H 4.789 -4.603 -0.352 . . . 1.0 . . . . . . . . . . . . A . 3 ACE H2 . . . . . . . . . c25813_2n7n 1 . 1 . 5 . 1 1 1 ACE H3 H 3.875 -5.476 0.922 . . . 1.0 . . . . . . . . . . . . A . 3 ACE H3 . . . . . . . . . c25813_2n7n 1 . 1 . 6 . 1 1 1 ACE O O 1.810 -3.653 -0.508 . . . 1.0 . . . . . . . . . . . . A . 3 ACE O . . . . . . . . . c25813_2n7n 1 . 1 . 7 . 1 1 2 NLE C C 3.129 -0.319 0.675 . . . 1.0 . . . . . . . . . . . . A . 4 NLE C . . . . . . . . . c25813_2n7n 1 . 1 . 8 . 1 1 2 NLE CA C 2.455 -1.577 1.309 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CA . . . . . . . . . c25813_2n7n 1 . 1 . 9 . 1 1 2 NLE CB C 2.359 -1.383 2.845 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CB . . . . . . . . . c25813_2n7n 1 . 1 . 10 . 1 1 2 NLE CD C 1.534 -2.156 5.150 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CD . . . . . . . . . c25813_2n7n 1 . 1 . 11 . 1 1 2 NLE CE C 0.883 -3.298 5.941 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CE . . . . . . . . . c25813_2n7n 1 . 1 . 12 . 1 1 2 NLE CG C 1.701 -2.515 3.664 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CG . . . . . . . . . c25813_2n7n 1 . 1 . 13 . 1 1 2 NLE H H 4.126 -2.992 1.494 . . . 1.0 . . . . . . . . . . . . A . 4 NLE H . . . . . . . . . c25813_2n7n 1 . 1 . 14 . 1 1 2 NLE HA H 1.419 -1.685 0.920 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HA . . . . . . . . . c25813_2n7n 1 . 1 . 15 . 1 1 2 NLE HB2 H 1.802 -0.448 3.035 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HB2 . . . . . . . . . c25813_2n7n 1 . 1 . 16 . 1 1 2 NLE HB3 H 3.373 -1.185 3.235 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HB3 . . . . . . . . . c25813_2n7n 1 . 1 . 17 . 1 1 2 NLE HD2 H 0.918 -1.241 5.252 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HD2 . . . . . . . . . c25813_2n7n 1 . 1 . 18 . 1 1 2 NLE HD3 H 2.517 -1.908 5.597 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HD3 . . . . . . . . . c25813_2n7n 1 . 1 . 19 . 1 1 2 NLE HE1 H 0.756 -3.026 7.006 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HE1 . . . . . . . . . c25813_2n7n 1 . 1 . 20 . 1 1 2 NLE HE2 H -0.121 -3.549 5.550 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HE2 . . . . . . . . . c25813_2n7n 1 . 1 . 21 . 1 1 2 NLE HE3 H 1.491 -4.221 5.911 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HE3 . . . . . . . . . c25813_2n7n 1 . 1 . 22 . 1 1 2 NLE HG2 H 2.304 -3.437 3.571 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HG2 . . . . . . . . . c25813_2n7n 1 . 1 . 23 . 1 1 2 NLE HG3 H 0.714 -2.758 3.233 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HG3 . . . . . . . . . c25813_2n7n 1 . 1 . 24 . 1 1 2 NLE N N 3.253 -2.792 1.000 . . . 1.0 . . . . . . . . . . . . A . 4 NLE N . . . . . . . . . c25813_2n7n 1 . 1 . 25 . 1 1 2 NLE O O 4.233 0.076 1.065 . . . 1.0 . . . . . . . . . . . . A . 4 NLE O . . . . . . . . . c25813_2n7n 1 . 1 . 26 . 1 1 3 ASP C C 2.192 2.838 -0.295 . . . 1.0 . . . . . . . . . . . . A . 5 ASP C . . . . . . . . . c25813_2n7n 1 . 1 . 27 . 1 1 3 ASP CA C 2.930 1.589 -0.903 . . . 1.0 . . . . . . . . . . . . A . 5 ASP CA . . . . . . . . . c25813_2n7n 1 . 1 . 28 . 1 1 3 ASP CB C 2.737 1.508 -2.433 . . . 1.0 . . . . . . . . . . . . A . 5 ASP CB . . . . . . . . . c25813_2n7n 1 . 1 . 29 . 1 1 3 ASP CG C 3.748 0.616 -3.167 . . . 1.0 . . . . . . . . . . . . A . 5 ASP CG . . . . . . . . . c25813_2n7n 1 . 1 . 30 . 1 1 3 ASP H H 1.569 -0.125 -0.565 . . . 1.0 . . . . . . . . . . . . A . 5 ASP H . . . . . . . . . c25813_2n7n 1 . 1 . 31 . 1 1 3 ASP HA H 4.022 1.693 -0.753 . . . 1.0 . . . . . . . . . . . . A . 5 ASP HA . . . . . . . . . c25813_2n7n 1 . 1 . 32 . 1 1 3 ASP HB2 H 1.693 1.241 -2.676 . . . 1.0 . . . . . . . . . . . . A . 5 ASP HB2 . . . . . . . . . c25813_2n7n 1 . 1 . 33 . 1 1 3 ASP HB3 H 2.869 2.522 -2.847 . . . 1.0 . . . . . . . . . . . . A . 5 ASP HB3 . . . . . . . . . c25813_2n7n 1 . 1 . 34 . 1 1 3 ASP N N 2.442 0.334 -0.271 . . . 1.0 . . . . . . . . . . . . A . 5 ASP N . . . . . . . . . c25813_2n7n 1 . 1 . 35 . 1 1 3 ASP O O 0.968 2.920 -0.459 . . . 1.0 . . . . . . . . . . . . A . 5 ASP O . . . . . . . . . c25813_2n7n 1 . 1 . 36 . 1 1 3 ASP OD1 O 4.898 1.015 -3.350 . . . 1.0 . . . . . . . . . . . . A . 5 ASP OD1 . . . . . . . . . c25813_2n7n 1 . 1 . 37 . 1 1 4 PRO C C 1.351 5.931 -0.075 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . c25813_2n7n 1 . 1 . 38 . 1 1 4 PRO CA C 2.193 5.047 0.921 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . c25813_2n7n 1 . 1 . 39 . 1 1 4 PRO CB C 3.381 5.836 1.508 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . c25813_2n7n 1 . 1 . 40 . 1 1 4 PRO CD C 4.290 3.753 0.726 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . c25813_2n7n 1 . 1 . 41 . 1 1 4 PRO CG C 4.434 4.782 1.845 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . c25813_2n7n 1 . 1 . 42 . 1 1 4 PRO HA H 1.559 4.701 1.758 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . c25813_2n7n 1 . 1 . 43 . 1 1 4 PRO HB2 H 3.799 6.543 0.763 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB2 . . . . . . . . . c25813_2n7n 1 . 1 . 44 . 1 1 4 PRO HB3 H 3.093 6.441 2.388 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . c25813_2n7n 1 . 1 . 45 . 1 1 4 PRO HD2 H 4.907 4.009 -0.158 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD2 . . . . . . . . . c25813_2n7n 1 . 1 . 46 . 1 1 4 PRO HD3 H 4.596 2.748 1.076 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . c25813_2n7n 1 . 1 . 47 . 1 1 4 PRO HG2 H 5.456 5.200 1.909 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG2 . . . . . . . . . c25813_2n7n 1 . 1 . 48 . 1 1 4 PRO HG3 H 4.213 4.315 2.826 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . c25813_2n7n 1 . 1 . 49 . 1 1 4 PRO N N 2.860 3.830 0.371 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . c25813_2n7n 1 . 1 . 50 . 1 1 4 PRO O O 1.804 6.114 -1.211 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . c25813_2n7n 1 . 1 . 51 . 1 1 5 PRO C C -1.173 5.124 2.118 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c25813_2n7n 1 . 1 . 52 . 1 1 5 PRO CA C -0.456 6.437 1.640 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c25813_2n7n 1 . 1 . 53 . 1 1 5 PRO CB C -1.423 7.640 1.570 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c25813_2n7n 1 . 1 . 54 . 1 1 5 PRO CD C -0.595 7.357 -0.667 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c25813_2n7n 1 . 1 . 55 . 1 1 5 PRO CG C -1.860 7.724 0.105 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c25813_2n7n 1 . 1 . 56 . 1 1 5 PRO HA H 0.311 6.666 2.405 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c25813_2n7n 1 . 1 . 57 . 1 1 5 PRO HB2 H -2.283 7.561 2.264 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB2 . . . . . . . . . c25813_2n7n 1 . 1 . 58 . 1 1 5 PRO HB3 H -0.889 8.568 1.855 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c25813_2n7n 1 . 1 . 59 . 1 1 5 PRO HD2 H -0.826 6.841 -1.619 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD2 . . . . . . . . . c25813_2n7n 1 . 1 . 60 . 1 1 5 PRO HD3 H -0.001 8.260 -0.915 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c25813_2n7n 1 . 1 . 61 . 1 1 5 PRO HG2 H -2.662 6.990 -0.099 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG2 . . . . . . . . . c25813_2n7n 1 . 1 . 62 . 1 1 5 PRO HG3 H -2.252 8.722 -0.169 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c25813_2n7n 1 . 1 . 63 . 1 1 5 PRO N N 0.152 6.493 0.271 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c25813_2n7n 1 . 1 . 64 . 1 1 5 PRO O O -1.649 5.081 3.255 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c25813_2n7n 1 . 1 . 65 . 1 1 6 . C C -2.457 2.049 0.461 . . . 1.0 . . . . . . . . . . . . A . 8 DPN C . . . . . . . . . c25813_2n7n 1 . 1 . 66 . 1 1 6 . CA C -1.796 2.741 1.692 . . . 1.0 . . . . . . . . . . . . A . 8 DPN CA . . . . . . . . . c25813_2n7n 1 . 1 . 67 . 1 1 6 . CB C -0.698 1.876 2.391 . . . 1.0 . . . . . . . . . . . . A . 8 DPN CB . . . . . . . . . c25813_2n7n 1 . 1 . 68 . 1 1 6 . CD1 C -1.630 0.776 4.486 . . . 1.0 . . . . . . . . . . . . A . 8 DPN CD1 . . . . . . . . . c25813_2n7n 1 . 1 . 69 . 1 1 6 . CD2 C -1.375 -0.583 2.505 . . . 1.0 . . . . . . . . . . . . A . 8 DPN CD2 . . . . . . . . . c25813_2n7n 1 . 1 . 70 . 1 1 6 . CE1 C -2.157 -0.319 5.168 . . . 1.0 . . . . . . . . . . . . A . 8 DPN CE1 . . . . . . . . . c25813_2n7n 1 . 1 . 71 . 1 1 6 . CE2 C -1.911 -1.674 3.186 . . . 1.0 . . . . . . . . . . . . A . 8 DPN CE2 . . . . . . . . . c25813_2n7n 1 . 1 . 72 . 1 1 6 . CG C -1.239 0.652 3.149 . . . 1.0 . . . . . . . . . . . . A . 8 DPN CG . . . . . . . . . c25813_2n7n 1 . 1 . 73 . 1 1 6 . CZ C -2.299 -1.541 4.516 . . . 1.0 . . . . . . . . . . . . A . 8 DPN CZ . . . . . . . . . c25813_2n7n 1 . 1 . 74 . 1 1 6 . H H -0.677 4.189 0.438 . . . 1.0 . . . . . . . . . . . . A . 8 DPN H . . . . . . . . . c25813_2n7n 1 . 1 . 75 . 1 1 6 . HA H -2.613 2.909 2.422 . . . 1.0 . . . . . . . . . . . . A . 8 DPN HA . . . . . . . . . c25813_2n7n 1 . 1 . 76 . 1 1 6 . HB2 H -0.121 2.509 3.085 . . . 1.0 . . . . . . . . . . . . A . 8 DPN HB2 . . . . . . . . . c25813_2n7n 1 . 1 . 77 . 1 1 6 . HB3 H 0.072 1.558 1.661 . . . 1.0 . . . . . . . . . . . . A . 8 DPN HB3 . . . . . . . . . c25813_2n7n 1 . 1 . 78 . 1 1 6 . HD1 H -1.535 1.724 4.999 . . . 1.0 . . . . . . . . . . . . A . 8 DPN HD1 . . . . . . . . . c25813_2n7n 1 . 1 . 79 . 1 1 6 . HD2 H -1.073 -0.700 1.475 . . . 1.0 . . . . . . . . . . . . A . 8 DPN HD2 . . . . . . . . . c25813_2n7n 1 . 1 . 80 . 1 1 6 . HE1 H -2.457 -0.217 6.201 . . . 1.0 . . . . . . . . . . . . A . 8 DPN HE1 . . . . . . . . . c25813_2n7n 1 . 1 . 81 . 1 1 6 . HE2 H -2.017 -2.626 2.688 . . . 1.0 . . . . . . . . . . . . A . 8 DPN HE2 . . . . . . . . . c25813_2n7n 1 . 1 . 82 . 1 1 6 . HZ H -2.709 -2.390 5.046 . . . 1.0 . . . . . . . . . . . . A . 8 DPN HZ . . . . . . . . . c25813_2n7n 1 . 1 . 83 . 1 1 6 . N N -1.224 4.059 1.299 . . . 1.0 . . . . . . . . . . . . A . 8 DPN N . . . . . . . . . c25813_2n7n 1 . 1 . 84 . 1 1 6 . O O -3.683 1.904 0.409 . . . 1.0 . . . . . . . . . . . . A . 8 DPN O . . . . . . . . . c25813_2n7n 1 . 1 . 85 . 1 1 7 ARG C C -1.320 -0.661 -1.431 . . . 1.0 . . . . . . . . . . . . A . 9 ARG C . . . . . . . . . c25813_2n7n 1 . 1 . 86 . 1 1 7 ARG CA C -2.067 0.698 -1.607 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CA . . . . . . . . . c25813_2n7n 1 . 1 . 87 . 1 1 7 ARG CB C -1.762 1.330 -2.990 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CB . . . . . . . . . c25813_2n7n 1 . 1 . 88 . 1 1 7 ARG CD C -3.958 2.719 -3.524 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CD . . . . . . . . . c25813_2n7n 1 . 1 . 89 . 1 1 7 ARG CG C -2.422 2.691 -3.361 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CG . . . . . . . . . c25813_2n7n 1 . 1 . 90 . 1 1 7 ARG CZ C -5.929 2.737 -1.964 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CZ . . . . . . . . . c25813_2n7n 1 . 1 . 91 . 1 1 7 ARG H H -0.660 1.883 -0.391 . . . 1.0 . . . . . . . . . . . . A . 9 ARG H . . . . . . . . . c25813_2n7n 1 . 1 . 92 . 1 1 7 ARG HA H -3.158 0.506 -1.558 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HA . . . . . . . . . c25813_2n7n 1 . 1 . 93 . 1 1 7 ARG HB2 H -0.665 1.443 -3.074 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HB2 . . . . . . . . . c25813_2n7n 1 . 1 . 94 . 1 1 7 ARG HB3 H -2.019 0.589 -3.767 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HB3 . . . . . . . . . c25813_2n7n 1 . 1 . 95 . 1 1 7 ARG HD2 H -4.240 3.645 -4.066 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HD2 . . . . . . . . . c25813_2n7n 1 . 1 . 96 . 1 1 7 ARG HD3 H -4.289 1.873 -4.163 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HD3 . . . . . . . . . c25813_2n7n 1 . 1 . 97 . 1 1 7 ARG HE H -4.072 2.514 -1.336 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HE . . . . . . . . . c25813_2n7n 1 . 1 . 98 . 1 1 7 ARG HG2 H -2.097 3.474 -2.647 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HG2 . . . . . . . . . c25813_2n7n 1 . 1 . 99 . 1 1 7 ARG HG3 H -1.979 3.017 -4.322 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HG3 . . . . . . . . . c25813_2n7n 1 . 1 . 100 . 1 1 7 ARG HH11 H -6.436 3.045 -3.834 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH11 . . . . . . . . . c25813_2n7n 1 . 1 . 101 . 1 1 7 ARG HH12 H -7.811 2.959 -2.627 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH12 . . . . . . . . . c25813_2n7n 1 . 1 . 102 . 1 1 7 ARG HH21 H -5.577 2.398 -0.051 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH21 . . . . . . . . . c25813_2n7n 1 . 1 . 103 . 1 1 7 ARG HH22 H -7.329 2.618 -0.545 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH22 . . . . . . . . . c25813_2n7n 1 . 1 . 104 . 1 1 7 ARG N N -1.648 1.618 -0.522 . . . 1.0 . . . . . . . . . . . . A . 9 ARG N . . . . . . . . . c25813_2n7n 1 . 1 . 105 . 1 1 7 ARG NE N -4.623 2.685 -2.194 . . . 1.0 . . . . . . . . . . . . A . 9 ARG NE . . . . . . . . . c25813_2n7n 1 . 1 . 106 . 1 1 7 ARG NH1 N -6.826 2.930 -2.897 . . . 1.0 . . . . . . . . . . . . A . 9 ARG NH1 . . . . . . . . . c25813_2n7n 1 . 1 . 107 . 1 1 7 ARG NH2 N -6.326 2.582 -0.735 . . . 1.0 . . . . . . . . . . . . A . 9 ARG NH2 . . . . . . . . . c25813_2n7n 1 . 1 . 108 . 1 1 7 ARG O O -0.092 -0.708 -1.275 . . . 1.0 . . . . . . . . . . . . A . 9 ARG O . . . . . . . . . c25813_2n7n 1 . 1 . 109 . 1 1 8 TRP C C -1.173 -3.838 -2.559 . . . 1.0 . . . . . . . . . . . . A . 10 TRP C . . . . . . . . . c25813_2n7n 1 . 1 . 110 . 1 1 8 TRP CA C -1.528 -3.125 -1.218 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CA . . . . . . . . . c25813_2n7n 1 . 1 . 111 . 1 1 8 TRP CB C -2.561 -3.913 -0.375 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CB . . . . . . . . . c25813_2n7n 1 . 1 . 112 . 1 1 8 TRP CD1 C -2.732 -6.484 -0.699 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CD1 . . . . . . . . . c25813_2n7n 1 . 1 . 113 . 1 1 8 TRP CD2 C -1.219 -5.859 0.801 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CD2 . . . . . . . . . c25813_2n7n 1 . 1 . 114 . 1 1 8 TRP CE2 C -1.195 -7.270 0.663 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CE2 . . . . . . . . . c25813_2n7n 1 . 1 . 115 . 1 1 8 TRP CE3 C -0.295 -5.204 1.648 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CE3 . . . . . . . . . c25813_2n7n 1 . 1 . 116 . 1 1 8 TRP CG C -2.189 -5.363 -0.048 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CG . . . . . . . . . c25813_2n7n 1 . 1 . 117 . 1 1 8 TRP CH2 C 0.653 -7.374 2.221 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CH2 . . . . . . . . . c25813_2n7n 1 . 1 . 118 . 1 1 8 TRP CZ2 C -0.247 -8.035 1.380 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CZ2 . . . . . . . . . c25813_2n7n 1 . 1 . 119 . 1 1 8 TRP CZ3 C 0.628 -5.980 2.351 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CZ3 . . . . . . . . . c25813_2n7n 1 . 1 . 120 . 1 1 8 TRP H H -3.033 -1.634 -1.783 . . . 1.0 . . . . . . . . . . . . A . 10 TRP H . . . . . . . . . c25813_2n7n 1 . 1 . 121 . 1 1 8 TRP HA H -0.622 -3.043 -0.581 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HA . . . . . . . . . c25813_2n7n 1 . 1 . 122 . 1 1 8 TRP HB2 H -2.738 -3.386 0.576 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HB2 . . . . . . . . . c25813_2n7n 1 . 1 . 123 . 1 1 8 TRP HB3 H -3.531 -3.907 -0.901 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HB3 . . . . . . . . . c25813_2n7n 1 . 1 . 124 . 1 1 8 TRP HD1 H -3.461 -6.395 -1.491 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HD1 . . . . . . . . . c25813_2n7n 1 . 1 . 125 . 1 1 8 TRP HE1 H -2.348 -8.647 -0.558 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HE1 . . . . . . . . . c25813_2n7n 1 . 1 . 126 . 1 1 8 TRP HE3 H -0.293 -4.127 1.722 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HE3 . . . . . . . . . c25813_2n7n 1 . 1 . 127 . 1 1 8 TRP HH2 H 1.384 -7.947 2.772 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HH2 . . . . . . . . . c25813_2n7n 1 . 1 . 128 . 1 1 8 TRP HZ2 H -0.212 -9.109 1.272 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HZ2 . . . . . . . . . c25813_2n7n 1 . 1 . 129 . 1 1 8 TRP HZ3 H 1.344 -5.498 3.001 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HZ3 . . . . . . . . . c25813_2n7n 1 . 1 . 130 . 1 1 8 TRP N N -2.077 -1.767 -1.443 . . . 1.0 . . . . . . . . . . . . A . 10 TRP N . . . . . . . . . c25813_2n7n 1 . 1 . 131 . 1 1 8 TRP NE1 N -2.138 -7.686 -0.266 . . . 1.0 . . . . . . . . . . . . A . 10 TRP NE1 . . . . . . . . . c25813_2n7n 1 . 1 . 132 . 1 1 8 TRP O O -1.968 -3.917 -3.501 . . . 1.0 . . . . . . . . . . . . A . 10 TRP O . . . . . . . . . c25813_2n7n 1 . 1 . 133 . 1 1 9 LYS C C 1.202 -6.560 -3.109 . . . 1.0 . . . . . . . . . . . . A . 11 LYS C . . . . . . . . . c25813_2n7n 1 . 1 . 134 . 1 1 9 LYS CA C 0.546 -5.258 -3.671 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CA . . . . . . . . . c25813_2n7n 1 . 1 . 135 . 1 1 9 LYS CB C 1.448 -4.377 -4.576 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CB . . . . . . . . . c25813_2n7n 1 . 1 . 136 . 1 1 9 LYS CD C 3.334 -2.658 -4.919 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CD . . . . . . . . . c25813_2n7n 1 . 1 . 137 . 1 1 9 LYS CE C 4.181 -1.557 -4.250 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CE . . . . . . . . . c25813_2n7n 1 . 1 . 138 . 1 1 9 LYS CG C 2.639 -3.626 -3.934 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CG . . . . . . . . . c25813_2n7n 1 . 1 . 139 . 1 1 9 LYS H H 0.625 -4.132 -1.780 . . . 1.0 . . . . . . . . . . . . A . 11 LYS H . . . . . . . . . c25813_2n7n 1 . 1 . 140 . 1 1 9 LYS HA H -0.288 -5.599 -4.316 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HA . . . . . . . . . c25813_2n7n 1 . 1 . 141 . 1 1 9 LYS HB2 H 1.833 -5.008 -5.391 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB2 . . . . . . . . . c25813_2n7n 1 . 1 . 142 . 1 1 9 LYS HB3 H 0.790 -3.630 -5.057 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB3 . . . . . . . . . c25813_2n7n 1 . 1 . 143 . 1 1 9 LYS HD2 H 3.978 -3.247 -5.599 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD2 . . . . . . . . . c25813_2n7n 1 . 1 . 144 . 1 1 9 LYS HD3 H 2.593 -2.176 -5.586 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD3 . . . . . . . . . c25813_2n7n 1 . 1 . 145 . 1 1 9 LYS HE2 H 4.897 -1.998 -3.528 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE2 . . . . . . . . . c25813_2n7n 1 . 1 . 146 . 1 1 9 LYS HE3 H 4.801 -1.055 -5.019 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE3 . . . . . . . . . c25813_2n7n 1 . 1 . 147 . 1 1 9 LYS HG2 H 2.265 -3.060 -3.061 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG2 . . . . . . . . . c25813_2n7n 1 . 1 . 148 . 1 1 9 LYS HG3 H 3.369 -4.348 -3.522 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG3 . . . . . . . . . c25813_2n7n 1 . 1 . 149 . 1 1 9 LYS HZ1 H 2.344 -0.789 -3.296 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ1 . . . . . . . . . c25813_2n7n 1 . 1 . 150 . 1 1 9 LYS N N 0.023 -4.424 -2.562 . . . 1.0 . . . . . . . . . . . . A . 11 LYS N . . . . . . . . . c25813_2n7n 1 . 1 . 151 . 1 1 9 LYS NZ N 3.307 -0.573 -3.572 . . . 1.0 . . . . . . . . . . . . A . 11 LYS NZ . . . . . . . . . c25813_2n7n 1 . 1 . 152 . 1 1 9 LYS O O 2.416 -6.743 -3.055 . . . 1.0 . . . . . . . . . . . . A . 11 LYS O . . . . . . . . . c25813_2n7n 1 . 1 . 153 . 1 1 10 NH2 HN1 H 0.948 -8.271 -2.192 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 HN1 . . . . . . . . . c25813_2n7n 1 . 1 . 154 . 1 1 10 NH2 HN2 H -0.554 -7.273 -2.494 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 HN2 . . . . . . . . . c25813_2n7n 1 . 1 . 155 . 1 1 10 NH2 N N 0.425 -7.528 -2.661 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 N . . . . . . . . . c25813_2n7n 1 . 2 . 156 . 1 1 1 ACE C C 2.999 -4.311 0.240 . . . 1.0 . . . . . . . . . . . . A . 3 ACE C . . . . . . . . . c25813_2n7n 1 . 2 . 157 . 1 1 1 ACE CH3 C 4.015 -5.436 0.181 . . . 1.0 . . . . . . . . . . . . A . 3 ACE CH3 . . . . . . . . . c25813_2n7n 1 . 2 . 158 . 1 1 1 ACE H1 H 4.701 -5.308 -0.675 . . . 1.0 . . . . . . . . . . . . A . 3 ACE H1 . . . . . . . . . c25813_2n7n 1 . 2 . 159 . 1 1 1 ACE H2 H 4.619 -5.497 1.105 . . . 1.0 . . . . . . . . . . . . A . 3 ACE H2 . . . . . . . . . c25813_2n7n 1 . 2 . 160 . 1 1 1 ACE H3 H 3.511 -6.411 0.063 . . . 1.0 . . . . . . . . . . . . A . 3 ACE H3 . . . . . . . . . c25813_2n7n 1 . 2 . 161 . 1 1 1 ACE O O 1.825 -4.506 -0.076 . . . 1.0 . . . . . . . . . . . . A . 3 ACE O . . . . . . . . . c25813_2n7n 1 . 2 . 162 . 1 1 2 NLE C C 3.290 -0.651 0.273 . . . 1.0 . . . . . . . . . . . . A . 4 NLE C . . . . . . . . . c25813_2n7n 1 . 2 . 163 . 1 1 2 NLE CA C 2.638 -1.935 0.872 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CA . . . . . . . . . c25813_2n7n 1 . 2 . 164 . 1 1 2 NLE CB C 2.428 -1.798 2.401 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CB . . . . . . . . . c25813_2n7n 1 . 2 . 165 . 1 1 2 NLE CD C 1.129 -0.740 4.372 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CD . . . . . . . . . c25813_2n7n 1 . 2 . 166 . 1 1 2 NLE CE C 2.267 -0.079 5.165 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CE . . . . . . . . . c25813_2n7n 1 . 2 . 167 . 1 1 2 NLE CG C 1.362 -0.773 2.849 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CG . . . . . . . . . c25813_2n7n 1 . 2 . 168 . 1 1 2 NLE H H 4.496 -3.129 0.806 . . . 1.0 . . . . . . . . . . . . A . 4 NLE H . . . . . . . . . c25813_2n7n 1 . 2 . 169 . 1 1 2 NLE HA H 1.641 -2.087 0.408 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HA . . . . . . . . . c25813_2n7n 1 . 2 . 170 . 1 1 2 NLE HB2 H 3.396 -1.560 2.878 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HB2 . . . . . . . . . c25813_2n7n 1 . 2 . 171 . 1 1 2 NLE HB3 H 2.131 -2.781 2.800 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HB3 . . . . . . . . . c25813_2n7n 1 . 2 . 172 . 1 1 2 NLE HD2 H 0.940 -1.761 4.755 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HD2 . . . . . . . . . c25813_2n7n 1 . 2 . 173 . 1 1 2 NLE HD3 H 0.195 -0.185 4.582 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HD3 . . . . . . . . . c25813_2n7n 1 . 2 . 174 . 1 1 2 NLE HE1 H 2.031 -0.034 6.244 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HE1 . . . . . . . . . c25813_2n7n 1 . 2 . 175 . 1 1 2 NLE HE2 H 3.219 -0.632 5.067 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HE2 . . . . . . . . . c25813_2n7n 1 . 2 . 176 . 1 1 2 NLE HE3 H 2.451 0.959 4.830 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HE3 . . . . . . . . . c25813_2n7n 1 . 2 . 177 . 1 1 2 NLE HG2 H 0.405 -1.020 2.352 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HG2 . . . . . . . . . c25813_2n7n 1 . 2 . 178 . 1 1 2 NLE HG3 H 1.619 0.244 2.490 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HG3 . . . . . . . . . c25813_2n7n 1 . 2 . 179 . 1 1 2 NLE N N 3.487 -3.135 0.631 . . . 1.0 . . . . . . . . . . . . A . 4 NLE N . . . . . . . . . c25813_2n7n 1 . 2 . 180 . 1 1 2 NLE O O 4.482 -0.379 0.446 . . . 1.0 . . . . . . . . . . . . A . 4 NLE O . . . . . . . . . c25813_2n7n 1 . 2 . 181 . 1 1 3 ASP C C 2.119 2.632 -0.204 . . . 1.0 . . . . . . . . . . . . A . 5 ASP C . . . . . . . . . c25813_2n7n 1 . 2 . 182 . 1 1 3 ASP CA C 2.856 1.466 -0.962 . . . 1.0 . . . . . . . . . . . . A . 5 ASP CA . . . . . . . . . c25813_2n7n 1 . 2 . 183 . 1 1 3 ASP CB C 2.486 1.490 -2.464 . . . 1.0 . . . . . . . . . . . . A . 5 ASP CB . . . . . . . . . c25813_2n7n 1 . 2 . 184 . 1 1 3 ASP CG C 3.321 0.608 -3.400 . . . 1.0 . . . . . . . . . . . . A . 5 ASP CG . . . . . . . . . c25813_2n7n 1 . 2 . 185 . 1 1 3 ASP H H 1.492 -0.186 -0.465 . . . 1.0 . . . . . . . . . . . . A . 5 ASP H . . . . . . . . . c25813_2n7n 1 . 2 . 186 . 1 1 3 ASP HA H 3.953 1.607 -0.913 . . . 1.0 . . . . . . . . . . . . A . 5 ASP HA . . . . . . . . . c25813_2n7n 1 . 2 . 187 . 1 1 3 ASP HB2 H 1.407 1.292 -2.586 . . . 1.0 . . . . . . . . . . . . A . 5 ASP HB2 . . . . . . . . . c25813_2n7n 1 . 2 . 188 . 1 1 3 ASP HB3 H 2.618 2.525 -2.817 . . . 1.0 . . . . . . . . . . . . A . 5 ASP HB3 . . . . . . . . . c25813_2n7n 1 . 2 . 189 . 1 1 3 ASP N N 2.457 0.161 -0.384 . . . 1.0 . . . . . . . . . . . . A . 5 ASP N . . . . . . . . . c25813_2n7n 1 . 2 . 190 . 1 1 3 ASP O O 0.887 2.712 -0.304 . . . 1.0 . . . . . . . . . . . . A . 5 ASP O . . . . . . . . . c25813_2n7n 1 . 2 . 191 . 1 1 3 ASP OD1 O 4.391 1.025 -3.843 . . . 1.0 . . . . . . . . . . . . A . 5 ASP OD1 . . . . . . . . . c25813_2n7n 1 . 2 . 192 . 1 1 4 PRO C C 1.472 5.770 0.054 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . c25813_2n7n 1 . 2 . 193 . 1 1 4 PRO CA C 2.157 4.793 1.085 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . c25813_2n7n 1 . 2 . 194 . 1 1 4 PRO CB C 3.334 5.471 1.819 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . c25813_2n7n 1 . 2 . 195 . 1 1 4 PRO CD C 4.224 3.446 0.872 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . c25813_2n7n 1 . 2 . 196 . 1 1 4 PRO CG C 4.344 4.355 2.093 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . c25813_2n7n 1 . 2 . 197 . 1 1 4 PRO HA H 1.421 4.446 1.834 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . c25813_2n7n 1 . 2 . 198 . 1 1 4 PRO HB2 H 3.813 6.242 1.182 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB2 . . . . . . . . . c25813_2n7n 1 . 2 . 199 . 1 1 4 PRO HB3 H 3.013 5.985 2.744 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . c25813_2n7n 1 . 2 . 200 . 1 1 4 PRO HD2 H 4.852 3.793 0.025 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD2 . . . . . . . . . c25813_2n7n 1 . 2 . 201 . 1 1 4 PRO HD3 H 4.518 2.405 1.112 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . c25813_2n7n 1 . 2 . 202 . 1 1 4 PRO HG2 H 5.373 4.734 2.240 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG2 . . . . . . . . . c25813_2n7n 1 . 2 . 203 . 1 1 4 PRO HG3 H 4.067 3.801 3.011 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . c25813_2n7n 1 . 2 . 204 . 1 1 4 PRO N N 2.801 3.572 0.514 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . c25813_2n7n 1 . 2 . 205 . 1 1 4 PRO O O 2.017 5.927 -1.046 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . c25813_2n7n 1 . 2 . 206 . 1 1 5 PRO C C -1.269 5.204 2.055 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c25813_2n7n 1 . 2 . 207 . 1 1 5 PRO CA C -0.387 6.437 1.651 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c25813_2n7n 1 . 2 . 208 . 1 1 5 PRO CB C -1.214 7.737 1.546 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c25813_2n7n 1 . 2 . 209 . 1 1 5 PRO CD C -0.278 7.392 -0.640 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c25813_2n7n 1 . 2 . 210 . 1 1 5 PRO CG C -1.543 7.887 0.060 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c25813_2n7n 1 . 2 . 211 . 1 1 5 PRO HA H 0.348 6.572 2.469 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c25813_2n7n 1 . 2 . 212 . 1 1 5 PRO HB2 H -2.121 7.740 2.183 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB2 . . . . . . . . . c25813_2n7n 1 . 2 . 213 . 1 1 5 PRO HB3 H -0.606 8.599 1.884 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c25813_2n7n 1 . 2 . 214 . 1 1 5 PRO HD2 H -0.503 6.913 -1.613 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD2 . . . . . . . . . c25813_2n7n 1 . 2 . 215 . 1 1 5 PRO HD3 H 0.423 8.229 -0.838 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c25813_2n7n 1 . 2 . 216 . 1 1 5 PRO HG2 H -2.405 7.247 -0.210 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG2 . . . . . . . . . c25813_2n7n 1 . 2 . 217 . 1 1 5 PRO HG3 H -1.807 8.924 -0.220 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c25813_2n7n 1 . 2 . 218 . 1 1 5 PRO N N 0.312 6.443 0.328 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c25813_2n7n 1 . 2 . 219 . 1 1 5 PRO O O -1.732 5.156 3.198 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c25813_2n7n 1 . 2 . 220 . 1 1 6 . C C -2.770 2.236 0.240 . . . 1.0 . . . . . . . . . . . . A . 8 DPN C . . . . . . . . . c25813_2n7n 1 . 2 . 221 . 1 1 6 . CA C -2.209 2.953 1.509 . . . 1.0 . . . . . . . . . . . . A . 8 DPN CA . . . . . . . . . c25813_2n7n 1 . 2 . 222 . 1 1 6 . CB C -1.303 2.005 2.359 . . . 1.0 . . . . . . . . . . . . A . 8 DPN CB . . . . . . . . . c25813_2n7n 1 . 2 . 223 . 1 1 6 . CD1 C -2.474 1.226 4.475 . . . 1.0 . . . . . . . . . . . . A . 8 DPN CD1 . . . . . . . . . c25813_2n7n 1 . 2 . 224 . 1 1 6 . CD2 C -2.316 -0.324 2.629 . . . 1.0 . . . . . . . . . . . . A . 8 DPN CD2 . . . . . . . . . c25813_2n7n 1 . 2 . 225 . 1 1 6 . CE1 C -3.123 0.254 5.234 . . . 1.0 . . . . . . . . . . . . A . 8 DPN CE1 . . . . . . . . . c25813_2n7n 1 . 2 . 226 . 1 1 6 . CE2 C -2.962 -1.295 3.390 . . . 1.0 . . . . . . . . . . . . A . 8 DPN CE2 . . . . . . . . . c25813_2n7n 1 . 2 . 227 . 1 1 6 . CG C -2.062 0.942 3.168 . . . 1.0 . . . . . . . . . . . . A . 8 DPN CG . . . . . . . . . c25813_2n7n 1 . 2 . 228 . 1 1 6 . CZ C -3.364 -1.006 4.692 . . . 1.0 . . . . . . . . . . . . A . 8 DPN CZ . . . . . . . . . c25813_2n7n 1 . 2 . 229 . 1 1 6 . H H -0.965 4.344 0.293 . . . 1.0 . . . . . . . . . . . . A . 8 DPN H . . . . . . . . . c25813_2n7n 1 . 2 . 230 . 1 1 6 . HA H -3.094 3.230 2.119 . . . 1.0 . . . . . . . . . . . . A . 8 DPN HA . . . . . . . . . c25813_2n7n 1 . 2 . 231 . 1 1 6 . HB2 H -0.683 2.604 3.048 . . . 1.0 . . . . . . . . . . . . A . 8 DPN HB2 . . . . . . . . . c25813_2n7n 1 . 2 . 232 . 1 1 6 . HB3 H -0.539 1.524 1.719 . . . 1.0 . . . . . . . . . . . . A . 8 DPN HB3 . . . . . . . . . c25813_2n7n 1 . 2 . 233 . 1 1 6 . HD1 H -2.287 2.200 4.907 . . . 1.0 . . . . . . . . . . . . A . 8 DPN HD1 . . . . . . . . . c25813_2n7n 1 . 2 . 234 . 1 1 6 . HD2 H -2.004 -0.560 1.621 . . . 1.0 . . . . . . . . . . . . A . 8 DPN HD2 . . . . . . . . . c25813_2n7n 1 . 2 . 235 . 1 1 6 . HE1 H -3.436 0.477 6.244 . . . 1.0 . . . . . . . . . . . . A . 8 DPN HE1 . . . . . . . . . c25813_2n7n 1 . 2 . 236 . 1 1 6 . HE2 H -3.151 -2.275 2.977 . . . 1.0 . . . . . . . . . . . . A . 8 DPN HE2 . . . . . . . . . c25813_2n7n 1 . 2 . 237 . 1 1 6 . HZ H -3.864 -1.760 5.282 . . . 1.0 . . . . . . . . . . . . A . 8 DPN HZ . . . . . . . . . c25813_2n7n 1 . 2 . 238 . 1 1 6 . N N -1.475 4.209 1.174 . . . 1.0 . . . . . . . . . . . . A . 8 DPN N . . . . . . . . . c25813_2n7n 1 . 2 . 239 . 1 1 6 . O O -3.973 1.986 0.147 . . . 1.0 . . . . . . . . . . . . A . 8 DPN O . . . . . . . . . c25813_2n7n 1 . 2 . 240 . 1 1 7 ARG C C -1.390 -0.485 -1.382 . . . 1.0 . . . . . . . . . . . . A . 9 ARG C . . . . . . . . . c25813_2n7n 1 . 2 . 241 . 1 1 7 ARG CA C -2.190 0.805 -1.718 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CA . . . . . . . . . c25813_2n7n 1 . 2 . 242 . 1 1 7 ARG CB C -1.861 1.383 -3.112 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CB . . . . . . . . . c25813_2n7n 1 . 2 . 243 . 1 1 7 ARG CD C -3.465 -0.008 -4.670 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CD . . . . . . . . . c25813_2n7n 1 . 2 . 244 . 1 1 7 ARG CG C -2.032 0.488 -4.369 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CG . . . . . . . . . c25813_2n7n 1 . 2 . 245 . 1 1 7 ARG CZ C -4.793 -2.096 -4.240 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CZ . . . . . . . . . c25813_2n7n 1 . 2 . 246 . 1 1 7 ARG H H -0.912 2.087 -0.439 . . . 1.0 . . . . . . . . . . . . A . 9 ARG H . . . . . . . . . c25813_2n7n 1 . 2 . 247 . 1 1 7 ARG HA H -3.278 0.585 -1.723 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HA . . . . . . . . . c25813_2n7n 1 . 2 . 248 . 1 1 7 ARG HB2 H -2.480 2.287 -3.245 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HB2 . . . . . . . . . c25813_2n7n 1 . 2 . 249 . 1 1 7 ARG HB3 H -0.816 1.734 -3.093 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HB3 . . . . . . . . . c25813_2n7n 1 . 2 . 250 . 1 1 7 ARG HD2 H -4.211 0.673 -4.209 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HD2 . . . . . . . . . c25813_2n7n 1 . 2 . 251 . 1 1 7 ARG HD3 H -3.644 0.054 -5.764 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HD3 . . . . . . . . . c25813_2n7n 1 . 2 . 252 . 1 1 7 ARG HE H -2.842 -2.011 -3.971 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HE . . . . . . . . . c25813_2n7n 1 . 2 . 253 . 1 1 7 ARG HG2 H -1.697 1.095 -5.232 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HG2 . . . . . . . . . c25813_2n7n 1 . 2 . 254 . 1 1 7 ARG HG3 H -1.299 -0.345 -4.351 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HG3 . . . . . . . . . c25813_2n7n 1 . 2 . 255 . 1 1 7 ARG HH11 H -5.902 -0.586 -4.834 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH11 . . . . . . . . . c25813_2n7n 1 . 2 . 256 . 1 1 7 ARG HH12 H -6.775 -2.169 -4.555 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH12 . . . . . . . . . c25813_2n7n 1 . 2 . 257 . 1 1 7 ARG HH21 H -3.818 -3.715 -3.672 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH21 . . . . . . . . . c25813_2n7n 1 . 2 . 258 . 1 1 7 ARG HH22 H -5.629 -3.881 -3.924 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH22 . . . . . . . . . c25813_2n7n 1 . 2 . 259 . 1 1 7 ARG N N -1.883 1.831 -0.689 . . . 1.0 . . . . . . . . . . . . A . 9 ARG N . . . . . . . . . c25813_2n7n 1 . 2 . 260 . 1 1 7 ARG NE N -3.647 -1.419 -4.226 . . . 1.0 . . . . . . . . . . . . A . 9 ARG NE . . . . . . . . . c25813_2n7n 1 . 2 . 261 . 1 1 7 ARG NH1 N -5.947 -1.572 -4.573 . . . 1.0 . . . . . . . . . . . . A . 9 ARG NH1 . . . . . . . . . c25813_2n7n 1 . 2 . 262 . 1 1 7 ARG NH2 N -4.756 -3.350 -3.901 . . . 1.0 . . . . . . . . . . . . A . 9 ARG NH2 . . . . . . . . . c25813_2n7n 1 . 2 . 263 . 1 1 7 ARG O O -0.160 -0.499 -1.276 . . . 1.0 . . . . . . . . . . . . A . 9 ARG O . . . . . . . . . c25813_2n7n 1 . 2 . 264 . 1 1 8 TRP C C -1.218 -3.657 -2.321 . . . 1.0 . . . . . . . . . . . . A . 10 TRP C . . . . . . . . . c25813_2n7n 1 . 2 . 265 . 1 1 8 TRP CA C -1.544 -2.921 -0.982 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CA . . . . . . . . . c25813_2n7n 1 . 2 . 266 . 1 1 8 TRP CB C -2.536 -3.687 -0.074 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CB . . . . . . . . . c25813_2n7n 1 . 2 . 267 . 1 1 8 TRP CD1 C -2.241 -6.256 -0.211 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CD1 . . . . . . . . . c25813_2n7n 1 . 2 . 268 . 1 1 8 TRP CD2 C -1.131 -5.299 1.458 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CD2 . . . . . . . . . c25813_2n7n 1 . 2 . 269 . 1 1 8 TRP CE2 C -0.836 -6.686 1.426 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CE2 . . . . . . . . . c25813_2n7n 1 . 2 . 270 . 1 1 8 TRP CE3 C -0.513 -4.452 2.411 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CE3 . . . . . . . . . c25813_2n7n 1 . 2 . 271 . 1 1 8 TRP CG C -2.008 -5.029 0.427 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CG . . . . . . . . . c25813_2n7n 1 . 2 . 272 . 1 1 8 TRP CH2 C 0.675 -6.390 3.291 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CH2 . . . . . . . . . c25813_2n7n 1 . 2 . 273 . 1 1 8 TRP CZ2 C 0.082 -7.235 2.350 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CZ2 . . . . . . . . . c25813_2n7n 1 . 2 . 274 . 1 1 8 TRP CZ3 C 0.378 -5.021 3.323 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CZ3 . . . . . . . . . c25813_2n7n 1 . 2 . 275 . 1 1 8 TRP H H -3.090 -1.446 -1.557 . . . 1.0 . . . . . . . . . . . . A . 10 TRP H . . . . . . . . . c25813_2n7n 1 . 2 . 276 . 1 1 8 TRP HA H -0.612 -2.793 -0.388 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HA . . . . . . . . . c25813_2n7n 1 . 2 . 277 . 1 1 8 TRP HB2 H -2.781 -3.077 0.809 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HB2 . . . . . . . . . c25813_2n7n 1 . 2 . 278 . 1 1 8 TRP HB3 H -3.495 -3.839 -0.599 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HB3 . . . . . . . . . c25813_2n7n 1 . 2 . 279 . 1 1 8 TRP HD1 H -2.845 -6.327 -1.105 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HD1 . . . . . . . . . c25813_2n7n 1 . 2 . 280 . 1 1 8 TRP HE1 H -1.480 -8.294 0.116 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HE1 . . . . . . . . . c25813_2n7n 1 . 2 . 281 . 1 1 8 TRP HE3 H -0.722 -3.392 2.425 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HE3 . . . . . . . . . c25813_2n7n 1 . 2 . 282 . 1 1 8 TRP HH2 H 1.376 -6.797 4.005 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HH2 . . . . . . . . . c25813_2n7n 1 . 2 . 283 . 1 1 8 TRP HZ2 H 0.321 -8.288 2.327 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HZ2 . . . . . . . . . c25813_2n7n 1 . 2 . 284 . 1 1 8 TRP HZ3 H 0.852 -4.393 4.065 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HZ3 . . . . . . . . . c25813_2n7n 1 . 2 . 285 . 1 1 8 TRP N N -2.129 -1.585 -1.240 . . . 1.0 . . . . . . . . . . . . A . 10 TRP N . . . . . . . . . c25813_2n7n 1 . 2 . 286 . 1 1 8 TRP NE1 N -1.523 -7.307 0.393 . . . 1.0 . . . . . . . . . . . . A . 10 TRP NE1 . . . . . . . . . c25813_2n7n 1 . 2 . 287 . 1 1 8 TRP O O -2.004 -3.666 -3.276 . . . 1.0 . . . . . . . . . . . . A . 10 TRP O . . . . . . . . . c25813_2n7n 1 . 2 . 288 . 1 1 9 LYS C C 0.944 -6.483 -3.224 . . . 1.0 . . . . . . . . . . . . A . 11 LYS C . . . . . . . . . c25813_2n7n 1 . 2 . 289 . 1 1 9 LYS CA C 0.513 -5.008 -3.512 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CA . . . . . . . . . c25813_2n7n 1 . 2 . 290 . 1 1 9 LYS CB C 1.615 -4.130 -4.162 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CB . . . . . . . . . c25813_2n7n 1 . 2 . 291 . 1 1 9 LYS CD C 3.884 -2.844 -4.026 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CD . . . . . . . . . c25813_2n7n 1 . 2 . 292 . 1 1 9 LYS CE C 3.431 -1.516 -4.673 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CE . . . . . . . . . c25813_2n7n 1 . 2 . 293 . 1 1 9 LYS CG C 2.824 -3.700 -3.297 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CG . . . . . . . . . c25813_2n7n 1 . 2 . 294 . 1 1 9 LYS H H 0.517 -4.154 -1.487 . . . 1.0 . . . . . . . . . . . . A . 11 LYS H . . . . . . . . . c25813_2n7n 1 . 2 . 295 . 1 1 9 LYS HA H -0.270 -5.109 -4.286 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HA . . . . . . . . . c25813_2n7n 1 . 2 . 296 . 1 1 9 LYS HB2 H 1.991 -4.660 -5.050 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB2 . . . . . . . . . c25813_2n7n 1 . 2 . 297 . 1 1 9 LYS HB3 H 1.125 -3.216 -4.545 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB3 . . . . . . . . . c25813_2n7n 1 . 2 . 298 . 1 1 9 LYS HD2 H 4.701 -2.622 -3.313 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD2 . . . . . . . . . c25813_2n7n 1 . 2 . 299 . 1 1 9 LYS HD3 H 4.359 -3.467 -4.809 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD3 . . . . . . . . . c25813_2n7n 1 . 2 . 300 . 1 1 9 LYS HE2 H 4.299 -1.054 -5.187 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE2 . . . . . . . . . c25813_2n7n 1 . 2 . 301 . 1 1 9 LYS HE3 H 2.714 -1.724 -5.490 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE3 . . . . . . . . . c25813_2n7n 1 . 2 . 302 . 1 1 9 LYS HG2 H 2.463 -3.138 -2.415 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG2 . . . . . . . . . c25813_2n7n 1 . 2 . 303 . 1 1 9 LYS HG3 H 3.315 -4.604 -2.889 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG3 . . . . . . . . . c25813_2n7n 1 . 2 . 304 . 1 1 9 LYS HZ1 H 1.962 -0.821 -3.170 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ1 . . . . . . . . . c25813_2n7n 1 . 2 . 305 . 1 1 9 LYS N N -0.042 -4.282 -2.339 . . . 1.0 . . . . . . . . . . . . A . 11 LYS N . . . . . . . . . c25813_2n7n 1 . 2 . 306 . 1 1 9 LYS NZ N 2.799 -0.583 -3.710 . . . 1.0 . . . . . . . . . . . . A . 11 LYS NZ . . . . . . . . . c25813_2n7n 1 . 2 . 307 . 1 1 9 LYS O O 0.729 -7.369 -4.047 . . . 1.0 . . . . . . . . . . . . A . 11 LYS O . . . . . . . . . c25813_2n7n 1 . 2 . 308 . 1 1 10 NH2 HN1 H 1.615 -6.133 -1.365 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 HN1 . . . . . . . . . c25813_2n7n 1 . 2 . 309 . 1 1 10 NH2 HN2 H 1.709 -7.852 -2.032 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 HN2 . . . . . . . . . c25813_2n7n 1 . 2 . 310 . 1 1 10 NH2 N N 1.552 -6.844 -2.106 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 N . . . . . . . . . c25813_2n7n 1 . 3 . 311 . 1 1 1 ACE C C 2.989 -3.821 0.394 . . . 1.0 . . . . . . . . . . . . A . 3 ACE C . . . . . . . . . c25813_2n7n 1 . 3 . 312 . 1 1 1 ACE CH3 C 4.463 -3.439 0.455 . . . 1.0 . . . . . . . . . . . . A . 3 ACE CH3 . . . . . . . . . c25813_2n7n 1 . 3 . 313 . 1 1 1 ACE H1 H 4.713 -2.700 -0.327 . . . 1.0 . . . . . . . . . . . . A . 3 ACE H1 . . . . . . . . . c25813_2n7n 1 . 3 . 314 . 1 1 1 ACE H2 H 4.733 -3.010 1.435 . . . 1.0 . . . . . . . . . . . . A . 3 ACE H2 . . . . . . . . . c25813_2n7n 1 . 3 . 315 . 1 1 1 ACE H3 H 5.104 -4.324 0.293 . . . 1.0 . . . . . . . . . . . . A . 3 ACE H3 . . . . . . . . . c25813_2n7n 1 . 3 . 316 . 1 1 1 ACE O O 2.672 -4.954 0.048 . . . 1.0 . . . . . . . . . . . . A . 3 ACE O . . . . . . . . . c25813_2n7n 1 . 3 . 317 . 1 1 2 NLE C C 2.915 -0.555 0.479 . . . 1.0 . . . . . . . . . . . . A . 4 NLE C . . . . . . . . . c25813_2n7n 1 . 3 . 318 . 1 1 2 NLE CA C 2.050 -1.627 1.232 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CA . . . . . . . . . c25813_2n7n 1 . 3 . 319 . 1 1 2 NLE CB C 2.327 -1.607 2.757 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CB . . . . . . . . . c25813_2n7n 1 . 3 . 320 . 1 1 2 NLE CD C 1.819 -2.321 5.168 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CD . . . . . . . . . c25813_2n7n 1 . 3 . 321 . 1 1 2 NLE CE C 1.088 -3.329 6.065 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CE . . . . . . . . . c25813_2n7n 1 . 3 . 322 . 1 1 2 NLE CG C 1.554 -2.579 3.676 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CG . . . . . . . . . c25813_2n7n 1 . 3 . 323 . 1 1 2 NLE H H 1.172 -3.583 0.938 . . . 1.0 . . . . . . . . . . . . A . 4 NLE H . . . . . . . . . c25813_2n7n 1 . 3 . 324 . 1 1 2 NLE HA H 1.003 -1.276 1.150 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HA . . . . . . . . . c25813_2n7n 1 . 3 . 325 . 1 1 2 NLE HB2 H 2.124 -0.579 3.098 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HB2 . . . . . . . . . c25813_2n7n 1 . 3 . 326 . 1 1 2 NLE HB3 H 3.408 -1.761 2.895 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HB3 . . . . . . . . . c25813_2n7n 1 . 3 . 327 . 1 1 2 NLE HD2 H 1.504 -1.294 5.436 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HD2 . . . . . . . . . c25813_2n7n 1 . 3 . 328 . 1 1 2 NLE HD3 H 2.907 -2.364 5.376 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HD3 . . . . . . . . . c25813_2n7n 1 . 3 . 329 . 1 1 2 NLE HE1 H 1.426 -4.366 5.880 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HE1 . . . . . . . . . c25813_2n7n 1 . 3 . 330 . 1 1 2 NLE HE2 H 1.269 -3.116 7.135 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HE2 . . . . . . . . . c25813_2n7n 1 . 3 . 331 . 1 1 2 NLE HE3 H -0.006 -3.301 5.909 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HE3 . . . . . . . . . c25813_2n7n 1 . 3 . 332 . 1 1 2 NLE HG2 H 1.842 -3.617 3.425 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HG2 . . . . . . . . . c25813_2n7n 1 . 3 . 333 . 1 1 2 NLE HG3 H 0.469 -2.506 3.475 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HG3 . . . . . . . . . c25813_2n7n 1 . 3 . 334 . 1 1 2 NLE N N 1.972 -3.008 0.677 . . . 1.0 . . . . . . . . . . . . A . 4 NLE N . . . . . . . . . c25813_2n7n 1 . 3 . 335 . 1 1 2 NLE O O 4.075 -0.299 0.819 . . . 1.0 . . . . . . . . . . . . A . 4 NLE O . . . . . . . . . c25813_2n7n 1 . 3 . 336 . 1 1 3 ASP C C 2.191 2.619 -0.394 . . . 1.0 . . . . . . . . . . . . A . 5 ASP C . . . . . . . . . c25813_2n7n 1 . 3 . 337 . 1 1 3 ASP CA C 2.853 1.373 -1.093 . . . 1.0 . . . . . . . . . . . . A . 5 ASP CA . . . . . . . . . c25813_2n7n 1 . 3 . 338 . 1 1 3 ASP CB C 2.552 1.395 -2.612 . . . 1.0 . . . . . . . . . . . . A . 5 ASP CB . . . . . . . . . c25813_2n7n 1 . 3 . 339 . 1 1 3 ASP CG C 3.495 0.607 -3.532 . . . 1.0 . . . . . . . . . . . . A . 5 ASP CG . . . . . . . . . c25813_2n7n 1 . 3 . 340 . 1 1 3 ASP H H 1.334 -0.164 -0.661 . . . 1.0 . . . . . . . . . . . . A . 5 ASP H . . . . . . . . . c25813_2n7n 1 . 3 . 341 . 1 1 3 ASP HA H 3.954 1.404 -0.986 . . . 1.0 . . . . . . . . . . . . A . 5 ASP HA . . . . . . . . . c25813_2n7n 1 . 3 . 342 . 1 1 3 ASP HB2 H 1.503 1.106 -2.808 . . . 1.0 . . . . . . . . . . . . A . 5 ASP HB2 . . . . . . . . . c25813_2n7n 1 . 3 . 343 . 1 1 3 ASP HB3 H 2.608 2.443 -2.956 . . . 1.0 . . . . . . . . . . . . A . 5 ASP HB3 . . . . . . . . . c25813_2n7n 1 . 3 . 344 . 1 1 3 ASP N N 2.312 0.121 -0.502 . . . 1.0 . . . . . . . . . . . . A . 5 ASP N . . . . . . . . . c25813_2n7n 1 . 3 . 345 . 1 1 3 ASP O O 0.956 2.710 -0.421 . . . 1.0 . . . . . . . . . . . . A . 5 ASP O . . . . . . . . . c25813_2n7n 1 . 3 . 346 . 1 1 3 ASP OD1 O 4.258 1.206 -4.288 . . . 1.0 . . . . . . . . . . . . A . 5 ASP OD1 . . . . . . . . . c25813_2n7n 1 . 3 . 347 . 1 1 4 PRO C C 1.446 5.732 -0.215 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . c25813_2n7n 1 . 3 . 348 . 1 1 4 PRO CA C 2.320 4.853 0.763 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . c25813_2n7n 1 . 3 . 349 . 1 1 4 PRO CB C 3.563 5.625 1.253 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . c25813_2n7n 1 . 3 . 350 . 1 1 4 PRO CD C 4.380 3.523 0.416 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . c25813_2n7n 1 . 3 . 351 . 1 1 4 PRO CG C 4.626 4.559 1.512 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . c25813_2n7n 1 . 3 . 352 . 1 1 4 PRO HA H 1.738 4.544 1.650 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . c25813_2n7n 1 . 3 . 353 . 1 1 4 PRO HB2 H 3.935 6.324 0.475 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB2 . . . . . . . . . c25813_2n7n 1 . 3 . 354 . 1 1 4 PRO HB3 H 3.353 6.239 2.150 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . c25813_2n7n 1 . 3 . 355 . 1 1 4 PRO HD2 H 4.915 3.774 -0.523 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD2 . . . . . . . . . c25813_2n7n 1 . 3 . 356 . 1 1 4 PRO HD3 H 4.711 2.517 0.743 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . c25813_2n7n 1 . 3 . 357 . 1 1 4 PRO HG2 H 5.655 4.963 1.488 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG2 . . . . . . . . . c25813_2n7n 1 . 3 . 358 . 1 1 4 PRO HG3 H 4.480 4.102 2.510 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . c25813_2n7n 1 . 3 . 359 . 1 1 4 PRO N N 2.924 3.609 0.198 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . c25813_2n7n 1 . 3 . 360 . 1 1 4 PRO O O 1.878 5.910 -1.361 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . c25813_2n7n 1 . 3 . 361 . 1 1 5 PRO C C -1.319 5.062 1.804 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c25813_2n7n 1 . 3 . 362 . 1 1 5 PRO CA C -0.339 6.259 1.517 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c25813_2n7n 1 . 3 . 363 . 1 1 5 PRO CB C -1.005 7.653 1.557 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c25813_2n7n 1 . 3 . 364 . 1 1 5 PRO CD C -0.432 7.267 -0.747 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c25813_2n7n 1 . 3 . 365 . 1 1 5 PRO CG C -1.514 7.891 0.133 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c25813_2n7n 1 . 3 . 366 . 1 1 5 PRO HA H 0.439 6.246 2.303 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c25813_2n7n 1 . 3 . 367 . 1 1 5 PRO HB2 H -1.807 7.735 2.315 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB2 . . . . . . . . . c25813_2n7n 1 . 3 . 368 . 1 1 5 PRO HB3 H -0.256 8.424 1.822 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c25813_2n7n 1 . 3 . 369 . 1 1 5 PRO HD2 H -0.853 6.769 -1.641 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD2 . . . . . . . . . c25813_2n7n 1 . 3 . 370 . 1 1 5 PRO HD3 H 0.277 8.041 -1.105 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c25813_2n7n 1 . 3 . 371 . 1 1 5 PRO HG2 H -2.478 7.370 -0.018 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG2 . . . . . . . . . c25813_2n7n 1 . 3 . 372 . 1 1 5 PRO HG3 H -1.681 8.961 -0.089 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c25813_2n7n 1 . 3 . 373 . 1 1 5 PRO N N 0.255 6.307 0.145 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c25813_2n7n 1 . 3 . 374 . 1 1 5 PRO O O -2.462 5.246 2.235 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c25813_2n7n 1 . 3 . 375 . 1 1 6 . C C -2.464 2.081 0.707 . . . 1.0 . . . . . . . . . . . . A . 8 DPN C . . . . . . . . . c25813_2n7n 1 . 3 . 376 . 1 1 6 . CA C -1.604 2.582 1.912 . . . 1.0 . . . . . . . . . . . . A . 8 DPN CA . . . . . . . . . c25813_2n7n 1 . 3 . 377 . 1 1 6 . CB C -0.568 1.524 2.408 . . . 1.0 . . . . . . . . . . . . A . 8 DPN CB . . . . . . . . . c25813_2n7n 1 . 3 . 378 . 1 1 6 . CD1 C -1.164 0.418 4.616 . . . 1.0 . . . . . . . . . . . . A . 8 DPN CD1 . . . . . . . . . c25813_2n7n 1 . 3 . 379 . 1 1 6 . CD2 C -1.747 -0.734 2.574 . . . 1.0 . . . . . . . . . . . . A . 8 DPN CD2 . . . . . . . . . c25813_2n7n 1 . 3 . 380 . 1 1 6 . CE1 C -1.734 -0.614 5.358 . . . 1.0 . . . . . . . . . . . . A . 8 DPN CE1 . . . . . . . . . c25813_2n7n 1 . 3 . 381 . 1 1 6 . CE2 C -2.327 -1.757 3.318 . . . 1.0 . . . . . . . . . . . . A . 8 DPN CE2 . . . . . . . . . c25813_2n7n 1 . 3 . 382 . 1 1 6 . CG C -1.170 0.367 3.219 . . . 1.0 . . . . . . . . . . . . A . 8 DPN CG . . . . . . . . . c25813_2n7n 1 . 3 . 383 . 1 1 6 . CZ C -2.318 -1.699 4.709 . . . 1.0 . . . . . . . . . . . . A . 8 DPN CZ . . . . . . . . . c25813_2n7n 1 . 3 . 384 . 1 1 6 . H H 0.001 3.794 1.018 . . . 1.0 . . . . . . . . . . . . A . 8 DPN H . . . . . . . . . c25813_2n7n 1 . 3 . 385 . 1 1 6 . HA H -2.303 2.783 2.750 . . . 1.0 . . . . . . . . . . . . A . 8 DPN HA . . . . . . . . . c25813_2n7n 1 . 3 . 386 . 1 1 6 . HB2 H 0.217 2.016 3.009 . . . 1.0 . . . . . . . . . . . . A . 8 DPN HB2 . . . . . . . . . c25813_2n7n 1 . 3 . 387 . 1 1 6 . HB3 H 0.010 1.117 1.555 . . . 1.0 . . . . . . . . . . . . A . 8 DPN HB3 . . . . . . . . . c25813_2n7n 1 . 3 . 388 . 1 1 6 . HD1 H -0.725 1.258 5.133 . . . 1.0 . . . . . . . . . . . . A . 8 DPN HD1 . . . . . . . . . c25813_2n7n 1 . 3 . 389 . 1 1 6 . HD2 H -1.763 -0.792 1.498 . . . 1.0 . . . . . . . . . . . . A . 8 DPN HD2 . . . . . . . . . c25813_2n7n 1 . 3 . 390 . 1 1 6 . HE1 H -1.722 -0.564 6.438 . . . 1.0 . . . . . . . . . . . . A . 8 DPN HE1 . . . . . . . . . c25813_2n7n 1 . 3 . 391 . 1 1 6 . HE2 H -2.786 -2.594 2.813 . . . 1.0 . . . . . . . . . . . . A . 8 DPN HE2 . . . . . . . . . c25813_2n7n 1 . 3 . 392 . 1 1 6 . HZ H -2.765 -2.496 5.286 . . . 1.0 . . . . . . . . . . . . A . 8 DPN HZ . . . . . . . . . c25813_2n7n 1 . 3 . 393 . 1 1 6 . N N -0.846 3.825 1.603 . . . 1.0 . . . . . . . . . . . . A . 8 DPN N . . . . . . . . . c25813_2n7n 1 . 3 . 394 . 1 1 6 . O O -3.692 1.997 0.802 . . . 1.0 . . . . . . . . . . . . A . 8 DPN O . . . . . . . . . c25813_2n7n 1 . 3 . 395 . 1 1 7 ARG C C -1.536 -0.527 -1.309 . . . 1.0 . . . . . . . . . . . . A . 9 ARG C . . . . . . . . . c25813_2n7n 1 . 3 . 396 . 1 1 7 ARG CA C -2.363 0.795 -1.430 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CA . . . . . . . . . c25813_2n7n 1 . 3 . 397 . 1 1 7 ARG CB C -2.259 1.392 -2.862 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CB . . . . . . . . . c25813_2n7n 1 . 3 . 398 . 1 1 7 ARG CD C -3.557 3.718 -2.895 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CD . . . . . . . . . c25813_2n7n 1 . 3 . 399 . 1 1 7 ARG CG C -3.440 2.258 -3.385 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CG . . . . . . . . . c25813_2n7n 1 . 3 . 400 . 1 1 7 ARG CZ C -4.584 4.847 -0.899 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CZ . . . . . . . . . c25813_2n7n 1 . 3 . 401 . 1 1 7 ARG H H -0.810 1.936 -0.373 . . . 1.0 . . . . . . . . . . . . A . 9 ARG H . . . . . . . . . c25813_2n7n 1 . 3 . 402 . 1 1 7 ARG HA H -3.428 0.564 -1.223 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HA . . . . . . . . . c25813_2n7n 1 . 3 . 403 . 1 1 7 ARG HB2 H -1.295 1.919 -2.986 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HB2 . . . . . . . . . c25813_2n7n 1 . 3 . 404 . 1 1 7 ARG HB3 H -2.176 0.545 -3.570 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HB3 . . . . . . . . . c25813_2n7n 1 . 3 . 405 . 1 1 7 ARG HD2 H -2.565 4.214 -2.927 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HD2 . . . . . . . . . c25813_2n7n 1 . 3 . 406 . 1 1 7 ARG HD3 H -4.201 4.271 -3.609 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HD3 . . . . . . . . . c25813_2n7n 1 . 3 . 407 . 1 1 7 ARG HE H -4.026 2.956 -0.897 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HE . . . . . . . . . c25813_2n7n 1 . 3 . 408 . 1 1 7 ARG HG2 H -3.334 2.304 -4.487 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HG2 . . . . . . . . . c25813_2n7n 1 . 3 . 409 . 1 1 7 ARG HG3 H -4.402 1.724 -3.245 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HG3 . . . . . . . . . c25813_2n7n 1 . 3 . 410 . 1 1 7 ARG HH11 H -4.477 6.030 -2.461 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH11 . . . . . . . . . c25813_2n7n 1 . 3 . 411 . 1 1 7 ARG HH12 H -5.119 6.779 -0.917 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH12 . . . . . . . . . c25813_2n7n 1 . 3 . 412 . 1 1 7 ARG HH21 H -4.697 3.810 0.777 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH21 . . . . . . . . . c25813_2n7n 1 . 3 . 413 . 1 1 7 ARG HH22 H -5.184 5.566 0.863 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH22 . . . . . . . . . c25813_2n7n 1 . 3 . 414 . 1 1 7 ARG N N -1.825 1.753 -0.427 . . . 1.0 . . . . . . . . . . . . A . 9 ARG N . . . . . . . . . c25813_2n7n 1 . 3 . 415 . 1 1 7 ARG NE N -4.130 3.768 -1.525 . . . 1.0 . . . . . . . . . . . . A . 9 ARG NE . . . . . . . . . c25813_2n7n 1 . 3 . 416 . 1 1 7 ARG NH1 N -4.733 6.014 -1.472 . . . 1.0 . . . . . . . . . . . . A . 9 ARG NH1 . . . . . . . . . c25813_2n7n 1 . 3 . 417 . 1 1 7 ARG NH2 N -4.900 4.726 0.356 . . . 1.0 . . . . . . . . . . . . A . 9 ARG NH2 . . . . . . . . . c25813_2n7n 1 . 3 . 418 . 1 1 7 ARG O O -0.311 -0.513 -1.147 . . . 1.0 . . . . . . . . . . . . A . 9 ARG O . . . . . . . . . c25813_2n7n 1 . 3 . 419 . 1 1 8 TRP C C -1.012 -3.574 -2.543 . . . 1.0 . . . . . . . . . . . . A . 10 TRP C . . . . . . . . . c25813_2n7n 1 . 3 . 420 . 1 1 8 TRP CA C -1.549 -3.001 -1.193 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CA . . . . . . . . . c25813_2n7n 1 . 3 . 421 . 1 1 8 TRP CB C -2.559 -3.940 -0.490 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CB . . . . . . . . . c25813_2n7n 1 . 3 . 422 . 1 1 8 TRP CD1 C -2.207 -6.444 -1.057 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CD1 . . . . . . . . . c25813_2n7n 1 . 3 . 423 . 1 1 8 TRP CD2 C -1.266 -5.810 0.852 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CD2 . . . . . . . . . c25813_2n7n 1 . 3 . 424 . 1 1 8 TRP CE2 C -0.968 -7.175 0.605 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CE2 . . . . . . . . . c25813_2n7n 1 . 3 . 425 . 1 1 8 TRP CE3 C -0.754 -5.158 1.999 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CE3 . . . . . . . . . c25813_2n7n 1 . 3 . 426 . 1 1 8 TRP CG C -2.043 -5.351 -0.191 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CG . . . . . . . . . c25813_2n7n 1 . 3 . 427 . 1 1 8 TRP CH2 C 0.334 -7.241 2.641 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CH2 . . . . . . . . . c25813_2n7n 1 . 3 . 428 . 1 1 8 TRP CZ2 C -0.153 -7.896 1.508 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CZ2 . . . . . . . . . c25813_2n7n 1 . 3 . 429 . 1 1 8 TRP CZ3 C 0.033 -5.895 2.885 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CZ3 . . . . . . . . . c25813_2n7n 1 . 3 . 430 . 1 1 8 TRP H H -3.145 -1.609 -1.777 . . . 1.0 . . . . . . . . . . . . A . 10 TRP H . . . . . . . . . c25813_2n7n 1 . 3 . 431 . 1 1 8 TRP HA H -0.707 -2.882 -0.479 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HA . . . . . . . . . c25813_2n7n 1 . 3 . 432 . 1 1 8 TRP HB2 H -2.885 -3.488 0.461 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HB2 . . . . . . . . . c25813_2n7n 1 . 3 . 433 . 1 1 8 TRP HB3 H -3.471 -4.020 -1.107 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HB3 . . . . . . . . . c25813_2n7n 1 . 3 . 434 . 1 1 8 TRP HD1 H -2.711 -6.353 -2.008 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HD1 . . . . . . . . . c25813_2n7n 1 . 3 . 435 . 1 1 8 TRP HE1 H -1.463 -8.512 -1.035 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HE1 . . . . . . . . . c25813_2n7n 1 . 3 . 436 . 1 1 8 TRP HE3 H -0.972 -4.117 2.182 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HE3 . . . . . . . . . c25813_2n7n 1 . 3 . 437 . 1 1 8 TRP HH2 H 0.952 -7.784 3.343 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HH2 . . . . . . . . . c25813_2n7n 1 . 3 . 438 . 1 1 8 TRP HZ2 H 0.085 -8.933 1.324 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HZ2 . . . . . . . . . c25813_2n7n 1 . 3 . 439 . 1 1 8 TRP HZ3 H 0.415 -5.425 3.779 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HZ3 . . . . . . . . . c25813_2n7n 1 . 3 . 440 . 1 1 8 TRP N N -2.209 -1.683 -1.372 . . . 1.0 . . . . . . . . . . . . A . 10 TRP N . . . . . . . . . c25813_2n7n 1 . 3 . 441 . 1 1 8 TRP NE1 N -1.550 -7.595 -0.581 . . . 1.0 . . . . . . . . . . . . A . 10 TRP NE1 . . . . . . . . . c25813_2n7n 1 . 3 . 442 . 1 1 8 TRP O O -1.728 -3.659 -3.546 . . . 1.0 . . . . . . . . . . . . A . 10 TRP O . . . . . . . . . c25813_2n7n 1 . 3 . 443 . 1 1 9 LYS C C 1.104 -6.348 -3.211 . . . 1.0 . . . . . . . . . . . . A . 11 LYS C . . . . . . . . . c25813_2n7n 1 . 3 . 444 . 1 1 9 LYS CA C 0.867 -4.846 -3.580 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CA . . . . . . . . . c25813_2n7n 1 . 3 . 445 . 1 1 9 LYS CB C 2.104 -4.092 -4.131 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CB . . . . . . . . . c25813_2n7n 1 . 3 . 446 . 1 1 9 LYS CD C 4.447 -2.997 -3.780 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CD . . . . . . . . . c25813_2n7n 1 . 3 . 447 . 1 1 9 LYS CE C 4.147 -1.614 -4.401 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CE . . . . . . . . . c25813_2n7n 1 . 3 . 448 . 1 1 9 LYS CG C 3.274 -3.797 -3.168 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CG . . . . . . . . . c25813_2n7n 1 . 3 . 449 . 1 1 9 LYS H H 0.722 -3.832 -1.620 . . . 1.0 . . . . . . . . . . . . A . 11 LYS H . . . . . . . . . c25813_2n7n 1 . 3 . 450 . 1 1 9 LYS HA H 0.176 -4.896 -4.444 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HA . . . . . . . . . c25813_2n7n 1 . 3 . 451 . 1 1 9 LYS HB2 H 2.493 -4.658 -4.990 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB2 . . . . . . . . . c25813_2n7n 1 . 3 . 452 . 1 1 9 LYS HB3 H 1.744 -3.133 -4.548 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB3 . . . . . . . . . c25813_2n7n 1 . 3 . 453 . 1 1 9 LYS HD2 H 5.216 -2.864 -2.994 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD2 . . . . . . . . . c25813_2n7n 1 . 3 . 454 . 1 1 9 LYS HD3 H 4.939 -3.624 -4.547 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD3 . . . . . . . . . c25813_2n7n 1 . 3 . 455 . 1 1 9 LYS HE2 H 5.103 -1.154 -4.723 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE2 . . . . . . . . . c25813_2n7n 1 . 3 . 456 . 1 1 9 LYS HE3 H 3.562 -1.738 -5.333 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE3 . . . . . . . . . c25813_2n7n 1 . 3 . 457 . 1 1 9 LYS HG2 H 2.886 -3.240 -2.299 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG2 . . . . . . . . . c25813_2n7n 1 . 3 . 458 . 1 1 9 LYS HG3 H 3.664 -4.748 -2.760 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG3 . . . . . . . . . c25813_2n7n 1 . 3 . 459 . 1 1 9 LYS HZ1 H 2.772 -1.070 -2.754 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ1 . . . . . . . . . c25813_2n7n 1 . 3 . 460 . 1 1 9 LYS N N 0.239 -4.040 -2.497 . . . 1.0 . . . . . . . . . . . . A . 11 LYS N . . . . . . . . . c25813_2n7n 1 . 3 . 461 . 1 1 9 LYS NZ N 3.407 -0.722 -3.480 . . . 1.0 . . . . . . . . . . . . A . 11 LYS NZ . . . . . . . . . c25813_2n7n 1 . 3 . 462 . 1 1 9 LYS O O 0.720 -7.245 -3.957 . . . 1.0 . . . . . . . . . . . . A . 11 LYS O . . . . . . . . . c25813_2n7n 1 . 3 . 463 . 1 1 10 NH2 HN1 H 1.966 -6.001 -1.413 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 HN1 . . . . . . . . . c25813_2n7n 1 . 3 . 464 . 1 1 10 NH2 HN2 H 1.746 -7.740 -1.978 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 HN2 . . . . . . . . . c25813_2n7n 1 . 3 . 465 . 1 1 10 NH2 N N 1.719 -6.725 -2.104 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 N . . . . . . . . . c25813_2n7n 1 . 4 . 466 . 1 1 1 ACE C C 2.912 -3.671 0.125 . . . 1.0 . . . . . . . . . . . . A . 3 ACE C . . . . . . . . . c25813_2n7n 1 . 4 . 467 . 1 1 1 ACE CH3 C 3.728 -4.945 0.033 . . . 1.0 . . . . . . . . . . . . A . 3 ACE CH3 . . . . . . . . . c25813_2n7n 1 . 4 . 468 . 1 1 1 ACE H1 H 3.425 -5.535 -0.852 . . . 1.0 . . . . . . . . . . . . A . 3 ACE H1 . . . . . . . . . c25813_2n7n 1 . 4 . 469 . 1 1 1 ACE H2 H 4.807 -4.727 -0.067 . . . 1.0 . . . . . . . . . . . . A . 3 ACE H2 . . . . . . . . . c25813_2n7n 1 . 4 . 470 . 1 1 1 ACE H3 H 3.578 -5.587 0.919 . . . 1.0 . . . . . . . . . . . . A . 3 ACE H3 . . . . . . . . . c25813_2n7n 1 . 4 . 471 . 1 1 1 ACE O O 2.071 -3.401 -0.728 . . . 1.0 . . . . . . . . . . . . A . 3 ACE O . . . . . . . . . c25813_2n7n 1 . 4 . 472 . 1 1 2 NLE C C 3.183 -0.373 0.975 . . . 1.0 . . . . . . . . . . . . A . 4 NLE C . . . . . . . . . c25813_2n7n 1 . 4 . 473 . 1 1 2 NLE CA C 2.416 -1.644 1.458 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CA . . . . . . . . . c25813_2n7n 1 . 4 . 474 . 1 1 2 NLE CB C 2.014 -1.588 2.957 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CB . . . . . . . . . c25813_2n7n 1 . 4 . 475 . 1 1 2 NLE CD C 3.199 -3.241 4.558 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CD . . . . . . . . . c25813_2n7n 1 . 4 . 476 . 1 1 2 NLE CE C 4.218 -3.388 5.692 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CE . . . . . . . . . c25813_2n7n 1 . 4 . 477 . 1 1 2 NLE CG C 3.071 -1.782 4.075 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CG . . . . . . . . . c25813_2n7n 1 . 4 . 478 . 1 1 2 NLE H H 3.829 -3.262 1.855 . . . 1.0 . . . . . . . . . . . . A . 4 NLE H . . . . . . . . . c25813_2n7n 1 . 4 . 479 . 1 1 2 NLE HA H 1.443 -1.678 0.921 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HA . . . . . . . . . c25813_2n7n 1 . 4 . 480 . 1 1 2 NLE HB2 H 1.180 -2.294 3.104 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HB2 . . . . . . . . . c25813_2n7n 1 . 4 . 481 . 1 1 2 NLE HB3 H 1.548 -0.603 3.124 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HB3 . . . . . . . . . c25813_2n7n 1 . 4 . 482 . 1 1 2 NLE HD2 H 3.490 -3.907 3.726 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HD2 . . . . . . . . . c25813_2n7n 1 . 4 . 483 . 1 1 2 NLE HD3 H 2.215 -3.609 4.906 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HD3 . . . . . . . . . c25813_2n7n 1 . 4 . 484 . 1 1 2 NLE HE1 H 3.938 -2.782 6.574 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HE1 . . . . . . . . . c25813_2n7n 1 . 4 . 485 . 1 1 2 NLE HE2 H 4.292 -4.439 6.026 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HE2 . . . . . . . . . c25813_2n7n 1 . 4 . 486 . 1 1 2 NLE HE3 H 5.230 -3.072 5.376 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HE3 . . . . . . . . . c25813_2n7n 1 . 4 . 487 . 1 1 2 NLE HG2 H 2.786 -1.154 4.941 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HG2 . . . . . . . . . c25813_2n7n 1 . 4 . 488 . 1 1 2 NLE HG3 H 4.054 -1.388 3.752 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HG3 . . . . . . . . . c25813_2n7n 1 . 4 . 489 . 1 1 2 NLE N N 3.158 -2.897 1.178 . . . 1.0 . . . . . . . . . . . . A . 4 NLE N . . . . . . . . . c25813_2n7n 1 . 4 . 490 . 1 1 2 NLE O O 4.180 0.050 1.567 . . . 1.0 . . . . . . . . . . . . A . 4 NLE O . . . . . . . . . c25813_2n7n 1 . 4 . 491 . 1 1 3 ASP C C 2.340 2.766 -0.072 . . . 1.0 . . . . . . . . . . . . A . 5 ASP C . . . . . . . . . c25813_2n7n 1 . 4 . 492 . 1 1 3 ASP CA C 3.180 1.550 -0.610 . . . 1.0 . . . . . . . . . . . . A . 5 ASP CA . . . . . . . . . c25813_2n7n 1 . 4 . 493 . 1 1 3 ASP CB C 3.104 1.500 -2.157 . . . 1.0 . . . . . . . . . . . . A . 5 ASP CB . . . . . . . . . c25813_2n7n 1 . 4 . 494 . 1 1 3 ASP CG C 4.247 0.756 -2.858 . . . 1.0 . . . . . . . . . . . . A . 5 ASP CG . . . . . . . . . c25813_2n7n 1 . 4 . 495 . 1 1 3 ASP H H 1.819 -0.186 -0.477 . . . 1.0 . . . . . . . . . . . . A . 5 ASP H . . . . . . . . . c25813_2n7n 1 . 4 . 496 . 1 1 3 ASP HA H 4.239 1.684 -0.310 . . . 1.0 . . . . . . . . . . . . A . 5 ASP HA . . . . . . . . . c25813_2n7n 1 . 4 . 497 . 1 1 3 ASP HB2 H 2.118 1.147 -2.498 . . . 1.0 . . . . . . . . . . . . A . 5 ASP HB2 . . . . . . . . . c25813_2n7n 1 . 4 . 498 . 1 1 3 ASP HB3 H 3.173 2.519 -2.565 . . . 1.0 . . . . . . . . . . . . A . 5 ASP HB3 . . . . . . . . . c25813_2n7n 1 . 4 . 499 . 1 1 3 ASP N N 2.671 0.250 -0.094 . . . 1.0 . . . . . . . . . . . . A . 5 ASP N . . . . . . . . . c25813_2n7n 1 . 4 . 500 . 1 1 3 ASP O O 1.122 2.624 0.072 . . . 1.0 . . . . . . . . . . . . A . 5 ASP O . . . . . . . . . c25813_2n7n 1 . 4 . 501 . 1 1 3 ASP OD1 O 5.359 1.270 -2.876 . . . 1.0 . . . . . . . . . . . . A . 5 ASP OD1 . . . . . . . . . c25813_2n7n 1 . 4 . 502 . 1 1 4 PRO C C 1.114 5.761 -0.464 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . c25813_2n7n 1 . 4 . 503 . 1 1 4 PRO CA C 2.066 5.153 0.644 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . c25813_2n7n 1 . 4 . 504 . 1 1 4 PRO CB C 3.162 6.131 1.110 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . c25813_2n7n 1 . 4 . 505 . 1 1 4 PRO CD C 4.324 4.296 0.048 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . c25813_2n7n 1 . 4 . 506 . 1 1 4 PRO CG C 4.384 5.811 0.244 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . c25813_2n7n 1 . 4 . 507 . 1 1 4 PRO HA H 1.484 4.841 1.532 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . c25813_2n7n 1 . 4 . 508 . 1 1 4 PRO HB2 H 2.863 7.195 1.040 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB2 . . . . . . . . . c25813_2n7n 1 . 4 . 509 . 1 1 4 PRO HB3 H 3.403 5.949 2.176 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . c25813_2n7n 1 . 4 . 510 . 1 1 4 PRO HD2 H 4.724 4.003 -0.943 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD2 . . . . . . . . . c25813_2n7n 1 . 4 . 511 . 1 1 4 PRO HD3 H 4.914 3.768 0.823 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . c25813_2n7n 1 . 4 . 512 . 1 1 4 PRO HG2 H 4.298 6.322 -0.736 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG2 . . . . . . . . . c25813_2n7n 1 . 4 . 513 . 1 1 4 PRO HG3 H 5.336 6.145 0.700 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . c25813_2n7n 1 . 4 . 514 . 1 1 4 PRO N N 2.886 3.989 0.195 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . c25813_2n7n 1 . 4 . 515 . 1 1 4 PRO O O 1.549 5.832 -1.621 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . c25813_2n7n 1 . 4 . 516 . 1 1 5 PRO C C -1.666 5.035 1.508 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c25813_2n7n 1 . 4 . 517 . 1 1 5 PRO CA C -0.791 6.287 1.143 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c25813_2n7n 1 . 4 . 518 . 1 1 5 PRO CB C -1.594 7.598 0.996 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c25813_2n7n 1 . 4 . 519 . 1 1 5 PRO CD C -0.909 6.984 -1.226 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c25813_2n7n 1 . 4 . 520 . 1 1 5 PRO CG C -2.073 7.607 -0.458 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c25813_2n7n 1 . 4 . 521 . 1 1 5 PRO HA H -0.048 6.444 1.949 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c25813_2n7n 1 . 4 . 522 . 1 1 5 PRO HB2 H -2.428 7.682 1.718 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB2 . . . . . . . . . c25813_2n7n 1 . 4 . 523 . 1 1 5 PRO HB3 H -0.937 8.471 1.183 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c25813_2n7n 1 . 4 . 524 . 1 1 5 PRO HD2 H -1.253 6.335 -2.054 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD2 . . . . . . . . . c25813_2n7n 1 . 4 . 525 . 1 1 5 PRO HD3 H -0.268 7.770 -1.670 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c25813_2n7n 1 . 4 . 526 . 1 1 5 PRO HG2 H -2.981 6.981 -0.565 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG2 . . . . . . . . . c25813_2n7n 1 . 4 . 527 . 1 1 5 PRO HG3 H -2.331 8.622 -0.819 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c25813_2n7n 1 . 4 . 528 . 1 1 5 PRO N N -0.152 6.224 -0.207 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c25813_2n7n 1 . 4 . 529 . 1 1 5 PRO O O -2.900 5.076 1.549 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c25813_2n7n 1 . 4 . 530 . 1 1 6 . C C -2.281 1.953 0.783 . . . 1.0 . . . . . . . . . . . . A . 8 DPN C . . . . . . . . . c25813_2n7n 1 . 4 . 531 . 1 1 6 . CA C -1.663 2.605 2.064 . . . 1.0 . . . . . . . . . . . . A . 8 DPN CA . . . . . . . . . c25813_2n7n 1 . 4 . 532 . 1 1 6 . CB C -0.603 1.713 2.779 . . . 1.0 . . . . . . . . . . . . A . 8 DPN CB . . . . . . . . . c25813_2n7n 1 . 4 . 533 . 1 1 6 . CD1 C -1.393 0.527 4.878 . . . 1.0 . . . . . . . . . . . . A . 8 DPN CD1 . . . . . . . . . c25813_2n7n 1 . 4 . 534 . 1 1 6 . CD2 C -1.394 -0.711 2.804 . . . 1.0 . . . . . . . . . . . . A . 8 DPN CD2 . . . . . . . . . c25813_2n7n 1 . 4 . 535 . 1 1 6 . CE1 C -1.847 -0.604 5.552 . . . 1.0 . . . . . . . . . . . . A . 8 DPN CE1 . . . . . . . . . c25813_2n7n 1 . 4 . 536 . 1 1 6 . CE2 C -1.849 -1.840 3.479 . . . 1.0 . . . . . . . . . . . . A . 8 DPN CE2 . . . . . . . . . c25813_2n7n 1 . 4 . 537 . 1 1 6 . CG C -1.161 0.480 3.501 . . . 1.0 . . . . . . . . . . . . A . 8 DPN CG . . . . . . . . . c25813_2n7n 1 . 4 . 538 . 1 1 6 . CZ C -2.074 -1.787 4.853 . . . 1.0 . . . . . . . . . . . . A . 8 DPN CZ . . . . . . . . . c25813_2n7n 1 . 4 . 539 . 1 1 6 . H H -0.036 3.925 1.416 . . . 1.0 . . . . . . . . . . . . A . 8 DPN H . . . . . . . . . c25813_2n7n 1 . 4 . 540 . 1 1 6 . HA H -2.494 2.783 2.777 . . . 1.0 . . . . . . . . . . . . A . 8 DPN HA . . . . . . . . . c25813_2n7n 1 . 4 . 541 . 1 1 6 . HB2 H -0.025 2.322 3.495 . . . 1.0 . . . . . . . . . . . . A . 8 DPN HB2 . . . . . . . . . c25813_2n7n 1 . 4 . 542 . 1 1 6 . HB3 H 0.176 1.387 2.064 . . . 1.0 . . . . . . . . . . . . A . 8 DPN HB3 . . . . . . . . . c25813_2n7n 1 . 4 . 543 . 1 1 6 . HD1 H -1.212 1.436 5.436 . . . 1.0 . . . . . . . . . . . . A . 8 DPN HD1 . . . . . . . . . c25813_2n7n 1 . 4 . 544 . 1 1 6 . HD2 H -1.208 -0.771 1.741 . . . 1.0 . . . . . . . . . . . . A . 8 DPN HD2 . . . . . . . . . c25813_2n7n 1 . 4 . 545 . 1 1 6 . HE1 H -2.013 -0.554 6.618 . . . 1.0 . . . . . . . . . . . . A . 8 DPN HE1 . . . . . . . . . c25813_2n7n 1 . 4 . 546 . 1 1 6 . HE2 H -2.018 -2.757 2.937 . . . 1.0 . . . . . . . . . . . . A . 8 DPN HE2 . . . . . . . . . c25813_2n7n 1 . 4 . 547 . 1 1 6 . HZ H -2.422 -2.666 5.377 . . . 1.0 . . . . . . . . . . . . A . 8 DPN HZ . . . . . . . . . c25813_2n7n 1 . 4 . 548 . 1 1 6 . N N -0.998 3.905 1.771 . . . 1.0 . . . . . . . . . . . . A . 8 DPN N . . . . . . . . . c25813_2n7n 1 . 4 . 549 . 1 1 6 . O O -3.503 1.825 0.671 . . . 1.0 . . . . . . . . . . . . A . 8 DPN O . . . . . . . . . c25813_2n7n 1 . 4 . 550 . 1 1 7 ARG C C -1.109 -0.530 -1.351 . . . 1.0 . . . . . . . . . . . . A . 9 ARG C . . . . . . . . . c25813_2n7n 1 . 4 . 551 . 1 1 7 ARG CA C -1.808 0.863 -1.422 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CA . . . . . . . . . c25813_2n7n 1 . 4 . 552 . 1 1 7 ARG CB C -1.342 1.642 -2.681 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CB . . . . . . . . . c25813_2n7n 1 . 4 . 553 . 1 1 7 ARG CD C -3.190 3.523 -3.026 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CD . . . . . . . . . c25813_2n7n 1 . 4 . 554 . 1 1 7 ARG CG C -1.701 3.147 -2.858 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CG . . . . . . . . . c25813_2n7n 1 . 4 . 555 . 1 1 7 ARG CZ C -4.992 4.127 -1.375 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CZ . . . . . . . . . c25813_2n7n 1 . 4 . 556 . 1 1 7 ARG H H -0.454 1.882 -0.016 . . . 1.0 . . . . . . . . . . . . A . 9 ARG H . . . . . . . . . c25813_2n7n 1 . 4 . 557 . 1 1 7 ARG HA H -2.909 0.734 -1.487 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HA . . . . . . . . . c25813_2n7n 1 . 4 . 558 . 1 1 7 ARG HB2 H -0.239 1.565 -2.729 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HB2 . . . . . . . . . c25813_2n7n 1 . 4 . 559 . 1 1 7 ARG HB3 H -1.691 1.082 -3.567 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HB3 . . . . . . . . . c25813_2n7n 1 . 4 . 560 . 1 1 7 ARG HD2 H -3.237 4.539 -3.470 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HD2 . . . . . . . . . c25813_2n7n 1 . 4 . 561 . 1 1 7 ARG HD3 H -3.683 2.846 -3.754 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HD3 . . . . . . . . . c25813_2n7n 1 . 4 . 562 . 1 1 7 ARG HE H -3.495 2.920 -0.935 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HE . . . . . . . . . c25813_2n7n 1 . 4 . 563 . 1 1 7 ARG HG2 H -1.245 3.739 -2.038 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HG2 . . . . . . . . . c25813_2n7n 1 . 4 . 564 . 1 1 7 ARG HG3 H -1.164 3.504 -3.759 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HG3 . . . . . . . . . c25813_2n7n 1 . 4 . 565 . 1 1 7 ARG HH11 H -5.300 4.907 -3.150 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH11 . . . . . . . . . c25813_2n7n 1 . 4 . 566 . 1 1 7 ARG HH12 H -6.529 5.322 -1.856 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH12 . . . . . . . . . c25813_2n7n 1 . 4 . 567 . 1 1 7 ARG HH21 H -4.830 3.412 0.458 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH21 . . . . . . . . . c25813_2n7n 1 . 4 . 568 . 1 1 7 ARG HH22 H -6.256 4.506 0.122 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH22 . . . . . . . . . c25813_2n7n 1 . 4 . 569 . 1 1 7 ARG N N -1.433 1.597 -0.193 . . . 1.0 . . . . . . . . . . . . A . 9 ARG N . . . . . . . . . c25813_2n7n 1 . 4 . 570 . 1 1 7 ARG NE N -3.880 3.482 -1.710 . . . 1.0 . . . . . . . . . . . . A . 9 ARG NE . . . . . . . . . c25813_2n7n 1 . 4 . 571 . 1 1 7 ARG NH1 N -5.679 4.874 -2.202 . . . 1.0 . . . . . . . . . . . . A . 9 ARG NH1 . . . . . . . . . c25813_2n7n 1 . 4 . 572 . 1 1 7 ARG NH2 N -5.416 3.996 -0.154 . . . 1.0 . . . . . . . . . . . . A . 9 ARG NH2 . . . . . . . . . c25813_2n7n 1 . 4 . 573 . 1 1 7 ARG O O 0.122 -0.624 -1.244 . . . 1.0 . . . . . . . . . . . . A . 9 ARG O . . . . . . . . . c25813_2n7n 1 . 4 . 574 . 1 1 8 TRP C C -1.083 -3.727 -2.489 . . . 1.0 . . . . . . . . . . . . A . 10 TRP C . . . . . . . . . c25813_2n7n 1 . 4 . 575 . 1 1 8 TRP CA C -1.383 -2.981 -1.150 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CA . . . . . . . . . c25813_2n7n 1 . 4 . 576 . 1 1 8 TRP CB C -2.402 -3.711 -0.245 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CB . . . . . . . . . c25813_2n7n 1 . 4 . 577 . 1 1 8 TRP CD1 C -2.618 -6.280 -0.477 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CD1 . . . . . . . . . c25813_2n7n 1 . 4 . 578 . 1 1 8 TRP CD2 C -1.044 -5.632 0.954 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CD2 . . . . . . . . . c25813_2n7n 1 . 4 . 579 . 1 1 8 TRP CE2 C -1.035 -7.046 0.843 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CE2 . . . . . . . . . c25813_2n7n 1 . 4 . 580 . 1 1 8 TRP CE3 C -0.100 -4.968 1.776 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CE3 . . . . . . . . . c25813_2n7n 1 . 4 . 581 . 1 1 8 TRP CG C -2.037 -5.151 0.123 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CG . . . . . . . . . c25813_2n7n 1 . 4 . 582 . 1 1 8 TRP CH2 C 0.843 -7.137 2.365 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CH2 . . . . . . . . . c25813_2n7n 1 . 4 . 583 . 1 1 8 TRP CZ2 C -0.077 -7.806 1.553 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CZ2 . . . . . . . . . c25813_2n7n 1 . 4 . 584 . 1 1 8 TRP CZ3 C 0.828 -5.742 2.476 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CZ3 . . . . . . . . . c25813_2n7n 1 . 4 . 585 . 1 1 8 TRP H H -2.863 -1.437 -1.664 . . . 1.0 . . . . . . . . . . . . A . 10 TRP H . . . . . . . . . c25813_2n7n 1 . 4 . 586 . 1 1 8 TRP HA H -0.454 -2.919 -0.544 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HA . . . . . . . . . c25813_2n7n 1 . 4 . 587 . 1 1 8 TRP HB2 H -2.536 -3.144 0.690 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HB2 . . . . . . . . . c25813_2n7n 1 . 4 . 588 . 1 1 8 TRP HB3 H -3.389 -3.705 -0.738 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HB3 . . . . . . . . . c25813_2n7n 1 . 4 . 589 . 1 1 8 TRP HD1 H -3.391 -6.198 -1.228 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HD1 . . . . . . . . . c25813_2n7n 1 . 4 . 590 . 1 1 8 TRP HE1 H -2.227 -8.440 -0.319 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HE1 . . . . . . . . . c25813_2n7n 1 . 4 . 591 . 1 1 8 TRP HE3 H -0.083 -3.891 1.851 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HE3 . . . . . . . . . c25813_2n7n 1 . 4 . 592 . 1 1 8 TRP HH2 H 1.580 -7.707 2.912 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HH2 . . . . . . . . . c25813_2n7n 1 . 4 . 593 . 1 1 8 TRP HZ2 H -0.053 -8.881 1.461 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HZ2 . . . . . . . . . c25813_2n7n 1 . 4 . 594 . 1 1 8 TRP HZ3 H 1.558 -5.253 3.105 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HZ3 . . . . . . . . . c25813_2n7n 1 . 4 . 595 . 1 1 8 TRP N N -1.897 -1.609 -1.378 . . . 1.0 . . . . . . . . . . . . A . 10 TRP N . . . . . . . . . c25813_2n7n 1 . 4 . 596 . 1 1 8 TRP NE1 N -2.015 -7.475 -0.039 . . . 1.0 . . . . . . . . . . . . A . 10 TRP NE1 . . . . . . . . . c25813_2n7n 1 . 4 . 597 . 1 1 8 TRP O O -1.924 -3.857 -3.383 . . . 1.0 . . . . . . . . . . . . A . 10 TRP O . . . . . . . . . c25813_2n7n 1 . 4 . 598 . 1 1 9 LYS C C 0.822 -6.551 -3.225 . . . 1.0 . . . . . . . . . . . . A . 11 LYS C . . . . . . . . . c25813_2n7n 1 . 4 . 599 . 1 1 9 LYS CA C 0.647 -5.070 -3.685 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CA . . . . . . . . . c25813_2n7n 1 . 4 . 600 . 1 1 9 LYS CB C 1.981 -4.409 -4.134 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CB . . . . . . . . . c25813_2n7n 1 . 4 . 601 . 1 1 9 LYS CD C 3.013 -2.133 -4.819 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CD . . . . . . . . . c25813_2n7n 1 . 4 . 602 . 1 1 9 LYS CE C 2.905 -1.225 -3.578 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CE . . . . . . . . . c25813_2n7n 1 . 4 . 603 . 1 1 9 LYS CG C 1.826 -3.104 -4.952 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CG . . . . . . . . . c25813_2n7n 1 . 4 . 604 . 1 1 9 LYS H H 0.738 -3.985 -1.759 . . . 1.0 . . . . . . . . . . . . A . 11 LYS H . . . . . . . . . c25813_2n7n 1 . 4 . 605 . 1 1 9 LYS HA H -0.051 -5.054 -4.548 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HA . . . . . . . . . c25813_2n7n 1 . 4 . 606 . 1 1 9 LYS HB2 H 2.628 -4.240 -3.250 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB2 . . . . . . . . . c25813_2n7n 1 . 4 . 607 . 1 1 9 LYS HB3 H 2.558 -5.122 -4.750 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB3 . . . . . . . . . c25813_2n7n 1 . 4 . 608 . 1 1 9 LYS HD2 H 3.966 -2.698 -4.824 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD2 . . . . . . . . . c25813_2n7n 1 . 4 . 609 . 1 1 9 LYS HD3 H 3.049 -1.494 -5.723 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD3 . . . . . . . . . c25813_2n7n 1 . 4 . 610 . 1 1 9 LYS HE2 H 1.977 -0.627 -3.650 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE2 . . . . . . . . . c25813_2n7n 1 . 4 . 611 . 1 1 9 LYS HE3 H 2.819 -1.826 -2.651 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE3 . . . . . . . . . c25813_2n7n 1 . 4 . 612 . 1 1 9 LYS HG2 H 1.703 -3.372 -6.016 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG2 . . . . . . . . . c25813_2n7n 1 . 4 . 613 . 1 1 9 LYS HG3 H 0.893 -2.573 -4.680 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG3 . . . . . . . . . c25813_2n7n 1 . 4 . 614 . 1 1 9 LYS HZ1 H 4.951 -0.587 -4.069 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ1 . . . . . . . . . c25813_2n7n 1 . 4 . 615 . 1 1 9 LYS N N 0.134 -4.266 -2.548 . . . 1.0 . . . . . . . . . . . . A . 11 LYS N . . . . . . . . . c25813_2n7n 1 . 4 . 616 . 1 1 9 LYS NZ N 4.117 -0.389 -3.521 . . . 1.0 . . . . . . . . . . . . A . 11 LYS NZ . . . . . . . . . c25813_2n7n 1 . 4 . 617 . 1 1 9 LYS O O 1.847 -6.975 -2.696 . . . 1.0 . . . . . . . . . . . . A . 11 LYS O . . . . . . . . . c25813_2n7n 1 . 4 . 618 . 1 1 10 NH2 HN1 H -1.079 -7.002 -3.647 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 HN1 . . . . . . . . . c25813_2n7n 1 . 4 . 619 . 1 1 10 NH2 HN2 H 0.013 -8.316 -2.971 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 HN2 . . . . . . . . . c25813_2n7n 1 . 4 . 620 . 1 1 10 NH2 N N -0.172 -7.402 -3.393 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 N . . . . . . . . . c25813_2n7n 1 . 5 . 621 . 1 1 1 ACE C C 3.238 -4.044 0.036 . . . 1.0 . . . . . . . . . . . . A . 3 ACE C . . . . . . . . . c25813_2n7n 1 . 5 . 622 . 1 1 1 ACE CH3 C 4.208 -5.147 -0.342 . . . 1.0 . . . . . . . . . . . . A . 3 ACE CH3 . . . . . . . . . c25813_2n7n 1 . 5 . 623 . 1 1 1 ACE H1 H 4.636 -5.633 0.553 . . . 1.0 . . . . . . . . . . . . A . 3 ACE H1 . . . . . . . . . c25813_2n7n 1 . 5 . 624 . 1 1 1 ACE H2 H 3.691 -5.931 -0.926 . . . 1.0 . . . . . . . . . . . . A . 3 ACE H2 . . . . . . . . . c25813_2n7n 1 . 5 . 625 . 1 1 1 ACE H3 H 5.035 -4.760 -0.965 . . . 1.0 . . . . . . . . . . . . A . 3 ACE H3 . . . . . . . . . c25813_2n7n 1 . 5 . 626 . 1 1 1 ACE O O 2.067 -4.089 -0.334 . . . 1.0 . . . . . . . . . . . . A . 3 ACE O . . . . . . . . . c25813_2n7n 1 . 5 . 627 . 1 1 2 NLE C C 3.474 -0.576 0.595 . . . 1.0 . . . . . . . . . . . . A . 4 NLE C . . . . . . . . . c25813_2n7n 1 . 5 . 628 . 1 1 2 NLE CA C 2.932 -1.892 1.229 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CA . . . . . . . . . c25813_2n7n 1 . 5 . 629 . 1 1 2 NLE CB C 2.966 -1.846 2.776 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CB . . . . . . . . . c25813_2n7n 1 . 5 . 630 . 1 1 2 NLE CD C 0.554 -1.058 3.430 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CD . . . . . . . . . c25813_2n7n 1 . 5 . 631 . 1 1 2 NLE CE C 0.089 -2.204 4.342 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CE . . . . . . . . . c25813_2n7n 1 . 5 . 632 . 1 1 2 NLE CG C 2.071 -0.792 3.478 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CG . . . . . . . . . c25813_2n7n 1 . 5 . 633 . 1 1 2 NLE H H 4.748 -3.127 0.942 . . . 1.0 . . . . . . . . . . . . A . 4 NLE H . . . . . . . . . c25813_2n7n 1 . 5 . 634 . 1 1 2 NLE HA H 1.870 -2.033 0.938 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HA . . . . . . . . . c25813_2n7n 1 . 5 . 635 . 1 1 2 NLE HB2 H 4.010 -1.671 3.091 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HB2 . . . . . . . . . c25813_2n7n 1 . 5 . 636 . 1 1 2 NLE HB3 H 2.701 -2.843 3.165 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HB3 . . . . . . . . . c25813_2n7n 1 . 5 . 637 . 1 1 2 NLE HD2 H 0.219 -1.234 2.390 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HD2 . . . . . . . . . c25813_2n7n 1 . 5 . 638 . 1 1 2 NLE HD3 H 0.031 -0.135 3.743 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HD3 . . . . . . . . . c25813_2n7n 1 . 5 . 639 . 1 1 2 NLE HE1 H 0.327 -2.002 5.403 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HE1 . . . . . . . . . c25813_2n7n 1 . 5 . 640 . 1 1 2 NLE HE2 H -1.005 -2.347 4.280 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HE2 . . . . . . . . . c25813_2n7n 1 . 5 . 641 . 1 1 2 NLE HE3 H 0.559 -3.168 4.081 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HE3 . . . . . . . . . c25813_2n7n 1 . 5 . 642 . 1 1 2 NLE HG2 H 2.276 0.207 3.050 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HG2 . . . . . . . . . c25813_2n7n 1 . 5 . 643 . 1 1 2 NLE HG3 H 2.384 -0.700 4.536 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HG3 . . . . . . . . . c25813_2n7n 1 . 5 . 644 . 1 1 2 NLE N N 3.740 -3.060 0.778 . . . 1.0 . . . . . . . . . . . . A . 4 NLE N . . . . . . . . . c25813_2n7n 1 . 5 . 645 . 1 1 2 NLE O O 4.647 -0.219 0.742 . . . 1.0 . . . . . . . . . . . . A . 4 NLE O . . . . . . . . . c25813_2n7n 1 . 5 . 646 . 1 1 3 ASP C C 2.118 2.636 0.021 . . . 1.0 . . . . . . . . . . . . A . 5 ASP C . . . . . . . . . c25813_2n7n 1 . 5 . 647 . 1 1 3 ASP CA C 2.884 1.466 -0.697 . . . 1.0 . . . . . . . . . . . . A . 5 ASP CA . . . . . . . . . c25813_2n7n 1 . 5 . 648 . 1 1 3 ASP CB C 2.478 1.416 -2.191 . . . 1.0 . . . . . . . . . . . . A . 5 ASP CB . . . . . . . . . c25813_2n7n 1 . 5 . 649 . 1 1 3 ASP CG C 3.355 0.564 -3.122 . . . 1.0 . . . . . . . . . . . . A . 5 ASP CG . . . . . . . . . c25813_2n7n 1 . 5 . 650 . 1 1 3 ASP H H 1.631 -0.254 -0.079 . . . 1.0 . . . . . . . . . . . . A . 5 ASP H . . . . . . . . . c25813_2n7n 1 . 5 . 651 . 1 1 3 ASP HA H 3.974 1.653 -0.668 . . . 1.0 . . . . . . . . . . . . A . 5 ASP HA . . . . . . . . . c25813_2n7n 1 . 5 . 652 . 1 1 3 ASP HB2 H 1.416 1.115 -2.255 . . . 1.0 . . . . . . . . . . . . A . 5 ASP HB2 . . . . . . . . . c25813_2n7n 1 . 5 . 653 . 1 1 3 ASP HB3 H 2.512 2.443 -2.589 . . . 1.0 . . . . . . . . . . . . A . 5 ASP HB3 . . . . . . . . . c25813_2n7n 1 . 5 . 654 . 1 1 3 ASP N N 2.576 0.157 -0.067 . . . 1.0 . . . . . . . . . . . . A . 5 ASP N . . . . . . . . . c25813_2n7n 1 . 5 . 655 . 1 1 3 ASP O O 0.886 2.558 0.117 . . . 1.0 . . . . . . . . . . . . A . 5 ASP O . . . . . . . . . c25813_2n7n 1 . 5 . 656 . 1 1 3 ASP OD1 O 4.562 0.431 -2.916 . . . 1.0 . . . . . . . . . . . . A . 5 ASP OD1 . . . . . . . . . c25813_2n7n 1 . 5 . 657 . 1 1 4 PRO C C 1.393 5.866 -0.092 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . c25813_2n7n 1 . 5 . 658 . 1 1 4 PRO CA C 2.028 4.937 1.018 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . c25813_2n7n 1 . 5 . 659 . 1 1 4 PRO CB C 3.148 5.623 1.823 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . c25813_2n7n 1 . 5 . 660 . 1 1 4 PRO CD C 4.224 3.924 0.471 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . c25813_2n7n 1 . 5 . 661 . 1 1 4 PRO CG C 4.440 5.322 1.055 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . c25813_2n7n 1 . 5 . 662 . 1 1 4 PRO HA H 1.242 4.591 1.718 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . c25813_2n7n 1 . 5 . 663 . 1 1 4 PRO HB2 H 2.985 6.707 1.967 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB2 . . . . . . . . . c25813_2n7n 1 . 5 . 664 . 1 1 4 PRO HB3 H 3.206 5.180 2.837 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . c25813_2n7n 1 . 5 . 665 . 1 1 4 PRO HD2 H 4.637 3.852 -0.556 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD2 . . . . . . . . . c25813_2n7n 1 . 5 . 666 . 1 1 4 PRO HD3 H 4.708 3.144 1.090 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . c25813_2n7n 1 . 5 . 667 . 1 1 4 PRO HG2 H 4.570 6.055 0.236 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG2 . . . . . . . . . c25813_2n7n 1 . 5 . 668 . 1 1 4 PRO HG3 H 5.343 5.384 1.691 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . c25813_2n7n 1 . 5 . 669 . 1 1 4 PRO N N 2.758 3.753 0.482 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . c25813_2n7n 1 . 5 . 670 . 1 1 4 PRO O O 1.959 5.949 -1.190 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . c25813_2n7n 1 . 5 . 671 . 1 1 5 PRO C C -1.440 5.495 1.849 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c25813_2n7n 1 . 5 . 672 . 1 1 5 PRO CA C -0.484 6.664 1.422 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c25813_2n7n 1 . 5 . 673 . 1 1 5 PRO CB C -1.239 7.999 1.238 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c25813_2n7n 1 . 5 . 674 . 1 1 5 PRO CD C -0.295 7.496 -0.913 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c25813_2n7n 1 . 5 . 675 . 1 1 5 PRO CG C -1.543 8.088 -0.259 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c25813_2n7n 1 . 5 . 676 . 1 1 5 PRO HA H 0.234 6.796 2.254 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c25813_2n7n 1 . 5 . 677 . 1 1 5 PRO HB2 H -2.151 8.083 1.860 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB2 . . . . . . . . . c25813_2n7n 1 . 5 . 678 . 1 1 5 PRO HB3 H -0.588 8.844 1.540 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c25813_2n7n 1 . 5 . 679 . 1 1 5 PRO HD2 H -0.533 6.969 -1.858 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD2 . . . . . . . . . c25813_2n7n 1 . 5 . 680 . 1 1 5 PRO HD3 H 0.443 8.286 -1.152 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c25813_2n7n 1 . 5 . 681 . 1 1 5 PRO HG2 H -2.433 7.478 -0.508 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG2 . . . . . . . . . c25813_2n7n 1 . 5 . 682 . 1 1 5 PRO HG3 H -1.751 9.121 -0.596 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c25813_2n7n 1 . 5 . 683 . 1 1 5 PRO N N 0.244 6.580 0.116 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c25813_2n7n 1 . 5 . 684 . 1 1 5 PRO O O -2.037 5.580 2.925 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c25813_2n7n 1 . 5 . 685 . 1 1 6 . C C -2.796 2.378 0.195 . . . 1.0 . . . . . . . . . . . . A . 8 DPN C . . . . . . . . . c25813_2n7n 1 . 5 . 686 . 1 1 6 . CA C -2.374 3.212 1.446 . . . 1.0 . . . . . . . . . . . . A . 8 DPN CA . . . . . . . . . c25813_2n7n 1 . 5 . 687 . 1 1 6 . CB C -1.625 2.355 2.519 . . . 1.0 . . . . . . . . . . . . A . 8 DPN CB . . . . . . . . . c25813_2n7n 1 . 5 . 688 . 1 1 6 . CD1 C -2.729 0.073 2.792 . . . 1.0 . . . . . . . . . . . . A . 8 DPN CD1 . . . . . . . . . c25813_2n7n 1 . 5 . 689 . 1 1 6 . CD2 C -3.117 1.748 4.487 . . . 1.0 . . . . . . . . . . . . A . 8 DPN CD2 . . . . . . . . . c25813_2n7n 1 . 5 . 690 . 1 1 6 . CE1 C -3.533 -0.823 3.492 . . . 1.0 . . . . . . . . . . . . A . 8 DPN CE1 . . . . . . . . . c25813_2n7n 1 . 5 . 691 . 1 1 6 . CE2 C -3.919 0.850 5.188 . . . 1.0 . . . . . . . . . . . . A . 8 DPN CE2 . . . . . . . . . c25813_2n7n 1 . 5 . 692 . 1 1 6 . CG C -2.515 1.365 3.285 . . . 1.0 . . . . . . . . . . . . A . 8 DPN CG . . . . . . . . . c25813_2n7n 1 . 5 . 693 . 1 1 6 . CZ C -4.126 -0.434 4.690 . . . 1.0 . . . . . . . . . . . . A . 8 DPN CZ . . . . . . . . . c25813_2n7n 1 . 5 . 694 . 1 1 6 . H H -0.974 4.439 0.226 . . . 1.0 . . . . . . . . . . . . A . 8 DPN H . . . . . . . . . c25813_2n7n 1 . 5 . 695 . 1 1 6 . HA H -3.319 3.576 1.899 . . . 1.0 . . . . . . . . . . . . A . 8 DPN HA . . . . . . . . . c25813_2n7n 1 . 5 . 696 . 1 1 6 . HB2 H -1.124 3.023 3.240 . . . 1.0 . . . . . . . . . . . . A . 8 DPN HB2 . . . . . . . . . c25813_2n7n 1 . 5 . 697 . 1 1 6 . HB3 H -0.770 1.820 2.061 . . . 1.0 . . . . . . . . . . . . A . 8 DPN HB3 . . . . . . . . . c25813_2n7n 1 . 5 . 698 . 1 1 6 . HD1 H -2.267 -0.243 1.869 . . . 1.0 . . . . . . . . . . . . A . 8 DPN HD1 . . . . . . . . . c25813_2n7n 1 . 5 . 699 . 1 1 6 . HD2 H -2.966 2.743 4.881 . . . 1.0 . . . . . . . . . . . . A . 8 DPN HD2 . . . . . . . . . c25813_2n7n 1 . 5 . 700 . 1 1 6 . HE1 H -3.687 -1.820 3.106 . . . 1.0 . . . . . . . . . . . . A . 8 DPN HE1 . . . . . . . . . c25813_2n7n 1 . 5 . 701 . 1 1 6 . HE2 H -4.378 1.153 6.118 . . . 1.0 . . . . . . . . . . . . A . 8 DPN HE2 . . . . . . . . . c25813_2n7n 1 . 5 . 702 . 1 1 6 . HZ H -4.748 -1.131 5.235 . . . 1.0 . . . . . . . . . . . . A . 8 DPN HZ . . . . . . . . . c25813_2n7n 1 . 5 . 703 . 1 1 6 . N N -1.560 4.404 1.069 . . . 1.0 . . . . . . . . . . . . A . 8 DPN N . . . . . . . . . c25813_2n7n 1 . 5 . 704 . 1 1 6 . O O -3.989 2.246 -0.091 . . . 1.0 . . . . . . . . . . . . A . 8 DPN O . . . . . . . . . c25813_2n7n 1 . 5 . 705 . 1 1 7 ARG C C -1.314 -0.682 -0.852 . . . 1.0 . . . . . . . . . . . . A . 9 ARG C . . . . . . . . . c25813_2n7n 1 . 5 . 706 . 1 1 7 ARG CA C -2.077 0.579 -1.368 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CA . . . . . . . . . c25813_2n7n 1 . 5 . 707 . 1 1 7 ARG CB C -1.670 0.900 -2.835 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CB . . . . . . . . . c25813_2n7n 1 . 5 . 708 . 1 1 7 ARG CD C -4.051 0.462 -3.946 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CD . . . . . . . . . c25813_2n7n 1 . 5 . 709 . 1 1 7 ARG CG C -2.805 1.369 -3.784 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CG . . . . . . . . . c25813_2n7n 1 . 5 . 710 . 1 1 7 ARG CZ C -4.601 -1.934 -4.465 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CZ . . . . . . . . . c25813_2n7n 1 . 5 . 711 . 1 1 7 ARG H H -0.880 1.953 -0.128 . . . 1.0 . . . . . . . . . . . . A . 9 ARG H . . . . . . . . . c25813_2n7n 1 . 5 . 712 . 1 1 7 ARG HA H -3.158 0.332 -1.343 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HA . . . . . . . . . c25813_2n7n 1 . 5 . 713 . 1 1 7 ARG HB2 H -0.854 1.643 -2.843 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HB2 . . . . . . . . . c25813_2n7n 1 . 5 . 714 . 1 1 7 ARG HB3 H -1.199 0.013 -3.300 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HB3 . . . . . . . . . c25813_2n7n 1 . 5 . 715 . 1 1 7 ARG HD2 H -4.679 0.543 -3.035 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HD2 . . . . . . . . . c25813_2n7n 1 . 5 . 716 . 1 1 7 ARG HD3 H -4.673 0.881 -4.764 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HD3 . . . . . . . . . c25813_2n7n 1 . 5 . 717 . 1 1 7 ARG HE H -2.749 -1.306 -4.165 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HE . . . . . . . . . c25813_2n7n 1 . 5 . 718 . 1 1 7 ARG HG2 H -3.143 2.372 -3.454 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HG2 . . . . . . . . . c25813_2n7n 1 . 5 . 719 . 1 1 7 ARG HG3 H -2.366 1.547 -4.785 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HG3 . . . . . . . . . c25813_2n7n 1 . 5 . 720 . 1 1 7 ARG HH11 H -6.153 -0.733 -4.576 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH11 . . . . . . . . . c25813_2n7n 1 . 5 . 721 . 1 1 7 ARG HH12 H -6.491 -2.513 -4.835 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH12 . . . . . . . . . c25813_2n7n 1 . 5 . 722 . 1 1 7 ARG HH21 H -3.186 -3.326 -4.273 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH21 . . . . . . . . . c25813_2n7n 1 . 5 . 723 . 1 1 7 ARG HH22 H -4.865 -3.886 -4.725 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH22 . . . . . . . . . c25813_2n7n 1 . 5 . 724 . 1 1 7 ARG N N -1.825 1.748 -0.491 . . . 1.0 . . . . . . . . . . . . A . 9 ARG N . . . . . . . . . c25813_2n7n 1 . 5 . 725 . 1 1 7 ARG NE N -3.717 -0.969 -4.215 . . . 1.0 . . . . . . . . . . . . A . 9 ARG NE . . . . . . . . . c25813_2n7n 1 . 5 . 726 . 1 1 7 ARG NH1 N -5.881 -1.717 -4.641 . . . 1.0 . . . . . . . . . . . . A . 9 ARG NH1 . . . . . . . . . c25813_2n7n 1 . 5 . 727 . 1 1 7 ARG NH2 N -4.173 -3.160 -4.536 . . . 1.0 . . . . . . . . . . . . A . 9 ARG NH2 . . . . . . . . . c25813_2n7n 1 . 5 . 728 . 1 1 7 ARG O O -0.185 -0.622 -0.355 . . . 1.0 . . . . . . . . . . . . A . 9 ARG O . . . . . . . . . c25813_2n7n 1 . 5 . 729 . 1 1 8 TRP C C -0.943 -3.763 -2.323 . . . 1.0 . . . . . . . . . . . . A . 10 TRP C . . . . . . . . . c25813_2n7n 1 . 5 . 730 . 1 1 8 TRP CA C -1.292 -3.166 -0.915 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CA . . . . . . . . . c25813_2n7n 1 . 5 . 731 . 1 1 8 TRP CB C -2.257 -4.038 -0.070 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CB . . . . . . . . . c25813_2n7n 1 . 5 . 732 . 1 1 8 TRP CD1 C -2.279 -6.590 -0.529 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CD1 . . . . . . . . . c25813_2n7n 1 . 5 . 733 . 1 1 8 TRP CD2 C -0.765 -5.943 0.963 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CD2 . . . . . . . . . c25813_2n7n 1 . 5 . 734 . 1 1 8 TRP CE2 C -0.623 -7.331 0.715 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CE2 . . . . . . . . . c25813_2n7n 1 . 5 . 735 . 1 1 8 TRP CE3 C 0.126 -5.272 1.835 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CE3 . . . . . . . . . c25813_2n7n 1 . 5 . 736 . 1 1 8 TRP CG C -1.796 -5.475 0.174 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CG . . . . . . . . . c25813_2n7n 1 . 5 . 737 . 1 1 8 TRP CH2 C 1.295 -7.379 2.189 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CH2 . . . . . . . . . c25813_2n7n 1 . 5 . 738 . 1 1 8 TRP CZ2 C 0.425 -8.055 1.328 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CZ2 . . . . . . . . . c25813_2n7n 1 . 5 . 739 . 1 1 8 TRP CZ3 C 1.145 -6.008 2.440 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CZ3 . . . . . . . . . c25813_2n7n 1 . 5 . 740 . 1 1 8 TRP H H -2.841 -1.754 -1.547 . . . 1.0 . . . . . . . . . . . . A . 10 TRP H . . . . . . . . . c25813_2n7n 1 . 5 . 741 . 1 1 8 TRP HA H -0.357 -3.061 -0.324 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HA . . . . . . . . . c25813_2n7n 1 . 5 . 742 . 1 1 8 TRP HB2 H -2.413 -3.563 0.915 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HB2 . . . . . . . . . c25813_2n7n 1 . 5 . 743 . 1 1 8 TRP HB3 H -3.254 -4.060 -0.544 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HB3 . . . . . . . . . c25813_2n7n 1 . 5 . 744 . 1 1 8 TRP HD1 H -3.054 -6.510 -1.278 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HD1 . . . . . . . . . c25813_2n7n 1 . 5 . 745 . 1 1 8 TRP HE1 H -1.686 -8.711 -0.578 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HE1 . . . . . . . . . c25813_2n7n 1 . 5 . 746 . 1 1 8 TRP HE3 H 0.036 -4.208 1.997 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HE3 . . . . . . . . . c25813_2n7n 1 . 5 . 747 . 1 1 8 TRP HH2 H 2.103 -7.920 2.660 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HH2 . . . . . . . . . c25813_2n7n 1 . 5 . 748 . 1 1 8 TRP HZ2 H 0.557 -9.106 1.119 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HZ2 . . . . . . . . . c25813_2n7n 1 . 5 . 749 . 1 1 8 TRP HZ3 H 1.843 -5.508 3.095 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HZ3 . . . . . . . . . c25813_2n7n 1 . 5 . 750 . 1 1 8 TRP N N -1.943 -1.844 -1.066 . . . 1.0 . . . . . . . . . . . . A . 10 TRP N . . . . . . . . . c25813_2n7n 1 . 5 . 751 . 1 1 8 TRP NE1 N -1.568 -7.763 -0.203 . . . 1.0 . . . . . . . . . . . . A . 10 TRP NE1 . . . . . . . . . c25813_2n7n 1 . 5 . 752 . 1 1 8 TRP O O -1.699 -3.656 -3.299 . . . 1.0 . . . . . . . . . . . . A . 10 TRP O . . . . . . . . . c25813_2n7n 1 . 5 . 753 . 1 1 9 LYS C C 0.886 -6.635 -3.273 . . . 1.0 . . . . . . . . . . . . A . 11 LYS C . . . . . . . . . c25813_2n7n 1 . 5 . 754 . 1 1 9 LYS CA C 0.742 -5.112 -3.581 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CA . . . . . . . . . c25813_2n7n 1 . 5 . 755 . 1 1 9 LYS CB C 2.103 -4.458 -3.952 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CB . . . . . . . . . c25813_2n7n 1 . 5 . 756 . 1 1 9 LYS CD C 3.413 -2.361 -4.647 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CD . . . . . . . . . c25813_2n7n 1 . 5 . 757 . 1 1 9 LYS CE C 3.395 -0.893 -5.124 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CE . . . . . . . . . c25813_2n7n 1 . 5 . 758 . 1 1 9 LYS CG C 2.024 -3.024 -4.516 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CG . . . . . . . . . c25813_2n7n 1 . 5 . 759 . 1 1 9 LYS H H 0.788 -4.331 -1.518 . . . 1.0 . . . . . . . . . . . . A . 11 LYS H . . . . . . . . . c25813_2n7n 1 . 5 . 760 . 1 1 9 LYS HA H 0.063 -4.995 -4.450 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HA . . . . . . . . . c25813_2n7n 1 . 5 . 761 . 1 1 9 LYS HB2 H 2.767 -4.471 -3.064 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB2 . . . . . . . . . c25813_2n7n 1 . 5 . 762 . 1 1 9 LYS HB3 H 2.619 -5.091 -4.695 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB3 . . . . . . . . . c25813_2n7n 1 . 5 . 763 . 1 1 9 LYS HD2 H 3.947 -2.411 -3.677 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD2 . . . . . . . . . c25813_2n7n 1 . 5 . 764 . 1 1 9 LYS HD3 H 4.035 -2.954 -5.344 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD3 . . . . . . . . . c25813_2n7n 1 . 5 . 765 . 1 1 9 LYS HE2 H 4.434 -0.553 -5.318 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE2 . . . . . . . . . c25813_2n7n 1 . 5 . 766 . 1 1 9 LYS HE3 H 2.892 -0.825 -6.107 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE3 . . . . . . . . . c25813_2n7n 1 . 5 . 767 . 1 1 9 LYS HG2 H 1.508 -3.033 -5.494 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG2 . . . . . . . . . c25813_2n7n 1 . 5 . 768 . 1 1 9 LYS HG3 H 1.396 -2.407 -3.846 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG3 . . . . . . . . . c25813_2n7n 1 . 5 . 769 . 1 1 9 LYS HZ1 H 1.721 0.217 -4.201 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ1 . . . . . . . . . c25813_2n7n 1 . 5 . 770 . 1 1 9 LYS N N 0.214 -4.423 -2.375 . . . 1.0 . . . . . . . . . . . . A . 11 LYS N . . . . . . . . . c25813_2n7n 1 . 5 . 771 . 1 1 9 LYS NZ N 2.723 0.016 -4.165 . . . 1.0 . . . . . . . . . . . . A . 11 LYS NZ . . . . . . . . . c25813_2n7n 1 . 5 . 772 . 1 1 9 LYS O O 1.877 -7.120 -2.730 . . . 1.0 . . . . . . . . . . . . A . 11 LYS O . . . . . . . . . c25813_2n7n 1 . 5 . 773 . 1 1 10 NH2 HN1 H -0.986 -7.045 -3.850 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 HN1 . . . . . . . . . c25813_2n7n 1 . 5 . 774 . 1 1 10 NH2 HN2 H 0.088 -8.419 -3.272 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 HN2 . . . . . . . . . c25813_2n7n 1 . 5 . 775 . 1 1 10 NH2 N N -0.088 -7.463 -3.594 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 N . . . . . . . . . c25813_2n7n 1 . 6 . 776 . 1 1 1 ACE C C 2.820 -4.262 0.164 . . . 1.0 . . . . . . . . . . . . A . 3 ACE C . . . . . . . . . c25813_2n7n 1 . 6 . 777 . 1 1 1 ACE CH3 C 3.734 -5.465 0.027 . . . 1.0 . . . . . . . . . . . . A . 3 ACE CH3 . . . . . . . . . c25813_2n7n 1 . 6 . 778 . 1 1 1 ACE H1 H 4.755 -5.156 -0.259 . . . 1.0 . . . . . . . . . . . . A . 3 ACE H1 . . . . . . . . . c25813_2n7n 1 . 6 . 779 . 1 1 1 ACE H2 H 3.796 -6.050 0.963 . . . 1.0 . . . . . . . . . . . . A . 3 ACE H2 . . . . . . . . . c25813_2n7n 1 . 6 . 780 . 1 1 1 ACE H3 H 3.361 -6.152 -0.753 . . . 1.0 . . . . . . . . . . . . A . 3 ACE H3 . . . . . . . . . c25813_2n7n 1 . 6 . 781 . 1 1 1 ACE O O 1.994 -4.000 -0.710 . . . 1.0 . . . . . . . . . . . . A . 3 ACE O . . . . . . . . . c25813_2n7n 1 . 6 . 782 . 1 1 2 NLE C C 3.048 -1.045 1.278 . . . 1.0 . . . . . . . . . . . . A . 4 NLE C . . . . . . . . . c25813_2n7n 1 . 6 . 783 . 1 1 2 NLE CA C 2.220 -2.325 1.609 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CA . . . . . . . . . c25813_2n7n 1 . 6 . 784 . 1 1 2 NLE CB C 1.882 -2.334 3.122 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CB . . . . . . . . . c25813_2n7n 1 . 6 . 785 . 1 1 2 NLE CD C 0.747 -3.454 5.133 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CD . . . . . . . . . c25813_2n7n 1 . 6 . 786 . 1 1 2 NLE CE C -0.297 -4.484 5.584 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CE . . . . . . . . . c25813_2n7n 1 . 6 . 787 . 1 1 2 NLE CG C 0.901 -3.427 3.602 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CG . . . . . . . . . c25813_2n7n 1 . 6 . 788 . 1 1 2 NLE H H 3.748 -3.876 1.887 . . . 1.0 . . . . . . . . . . . . A . 4 NLE H . . . . . . . . . c25813_2n7n 1 . 6 . 789 . 1 1 2 NLE HA H 1.263 -2.315 1.048 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HA . . . . . . . . . c25813_2n7n 1 . 6 . 790 . 1 1 2 NLE HB2 H 1.454 -1.353 3.399 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HB2 . . . . . . . . . c25813_2n7n 1 . 6 . 791 . 1 1 2 NLE HB3 H 2.828 -2.385 3.690 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HB3 . . . . . . . . . c25813_2n7n 1 . 6 . 792 . 1 1 2 NLE HD2 H 0.466 -2.452 5.513 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HD2 . . . . . . . . . c25813_2n7n 1 . 6 . 793 . 1 1 2 NLE HD3 H 1.721 -3.684 5.606 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HD3 . . . . . . . . . c25813_2n7n 1 . 6 . 794 . 1 1 2 NLE HE1 H -0.394 -4.502 6.684 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HE1 . . . . . . . . . c25813_2n7n 1 . 6 . 795 . 1 1 2 NLE HE2 H -1.300 -4.261 5.174 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HE2 . . . . . . . . . c25813_2n7n 1 . 6 . 796 . 1 1 2 NLE HE3 H -0.030 -5.509 5.264 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HE3 . . . . . . . . . c25813_2n7n 1 . 6 . 797 . 1 1 2 NLE HG2 H 1.252 -4.418 3.262 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HG2 . . . . . . . . . c25813_2n7n 1 . 6 . 798 . 1 1 2 NLE HG3 H -0.084 -3.273 3.121 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HG3 . . . . . . . . . c25813_2n7n 1 . 6 . 799 . 1 1 2 NLE N N 2.998 -3.549 1.276 . . . 1.0 . . . . . . . . . . . . A . 4 NLE N . . . . . . . . . c25813_2n7n 1 . 6 . 800 . 1 1 2 NLE O O 4.191 -0.890 1.724 . . . 1.0 . . . . . . . . . . . . A . 4 NLE O . . . . . . . . . c25813_2n7n 1 . 6 . 801 . 1 1 3 ASP C C 2.296 2.391 -0.051 . . . 1.0 . . . . . . . . . . . . A . 5 ASP C . . . . . . . . . c25813_2n7n 1 . 6 . 802 . 1 1 3 ASP CA C 3.170 1.076 -0.017 . . . 1.0 . . . . . . . . . . . . A . 5 ASP CA . . . . . . . . . c25813_2n7n 1 . 6 . 803 . 1 1 3 ASP CB C 3.838 0.695 -1.367 . . . 1.0 . . . . . . . . . . . . A . 5 ASP CB . . . . . . . . . c25813_2n7n 1 . 6 . 804 . 1 1 3 ASP CG C 3.004 0.237 -2.577 . . . 1.0 . . . . . . . . . . . . A . 5 ASP CG . . . . . . . . . c25813_2n7n 1 . 6 . 805 . 1 1 3 ASP H H 1.606 -0.446 0.045 . . . 1.0 . . . . . . . . . . . . A . 5 ASP H . . . . . . . . . c25813_2n7n 1 . 6 . 806 . 1 1 3 ASP HA H 3.996 1.300 0.685 . . . 1.0 . . . . . . . . . . . . A . 5 ASP HA . . . . . . . . . c25813_2n7n 1 . 6 . 807 . 1 1 3 ASP HB2 H 4.445 1.554 -1.677 . . . 1.0 . . . . . . . . . . . . A . 5 ASP HB2 . . . . . . . . . c25813_2n7n 1 . 6 . 808 . 1 1 3 ASP HB3 H 4.563 -0.114 -1.158 . . . 1.0 . . . . . . . . . . . . A . 5 ASP HB3 . . . . . . . . . c25813_2n7n 1 . 6 . 809 . 1 1 3 ASP N N 2.460 -0.121 0.507 . . . 1.0 . . . . . . . . . . . . A . 5 ASP N . . . . . . . . . c25813_2n7n 1 . 6 . 810 . 1 1 3 ASP O O 1.069 2.297 -0.193 . . . 1.0 . . . . . . . . . . . . A . 5 ASP O . . . . . . . . . c25813_2n7n 1 . 6 . 811 . 1 1 3 ASP OD1 O 1.823 -0.095 -2.480 . . . 1.0 . . . . . . . . . . . . A . 5 ASP OD1 . . . . . . . . . c25813_2n7n 1 . 6 . 812 . 1 1 4 PRO C C 1.243 5.354 -1.030 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . c25813_2n7n 1 . 6 . 813 . 1 1 4 PRO CA C 2.065 4.885 0.231 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . c25813_2n7n 1 . 6 . 814 . 1 1 4 PRO CB C 3.126 5.912 0.682 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . c25813_2n7n 1 . 6 . 815 . 1 1 4 PRO CD C 4.317 3.872 0.261 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . c25813_2n7n 1 . 6 . 816 . 1 1 4 PRO CG C 4.451 5.386 0.135 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . c25813_2n7n 1 . 6 . 817 . 1 1 4 PRO HA H 1.369 4.734 1.073 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . c25813_2n7n 1 . 6 . 818 . 1 1 4 PRO HB2 H 2.916 6.946 0.347 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB2 . . . . . . . . . c25813_2n7n 1 . 6 . 819 . 1 1 4 PRO HB3 H 3.166 5.950 1.789 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . c25813_2n7n 1 . 6 . 820 . 1 1 4 PRO HD2 H 4.940 3.363 -0.498 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD2 . . . . . . . . . c25813_2n7n 1 . 6 . 821 . 1 1 4 PRO HD3 H 4.652 3.529 1.260 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . c25813_2n7n 1 . 6 . 822 . 1 1 4 PRO HG2 H 4.564 5.673 -0.930 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG2 . . . . . . . . . c25813_2n7n 1 . 6 . 823 . 1 1 4 PRO HG3 H 5.329 5.786 0.674 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . c25813_2n7n 1 . 6 . 824 . 1 1 4 PRO N N 2.866 3.635 0.089 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . c25813_2n7n 1 . 6 . 825 . 1 1 4 PRO O O 1.642 5.033 -2.155 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . c25813_2n7n 1 . 6 . 826 . 1 1 5 PRO C C -1.116 5.691 1.423 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c25813_2n7n 1 . 6 . 827 . 1 1 5 PRO CA C -0.430 6.650 0.388 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c25813_2n7n 1 . 6 . 828 . 1 1 5 PRO CB C -1.388 7.745 -0.126 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c25813_2n7n 1 . 6 . 829 . 1 1 5 PRO CD C -0.660 6.557 -2.088 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c25813_2n7n 1 . 6 . 830 . 1 1 5 PRO CG C -1.884 7.246 -1.485 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c25813_2n7n 1 . 6 . 831 . 1 1 5 PRO HA H 0.391 7.145 0.940 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c25813_2n7n 1 . 6 . 832 . 1 1 5 PRO HB2 H -2.219 7.973 0.570 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB2 . . . . . . . . . c25813_2n7n 1 . 6 . 833 . 1 1 5 PRO HB3 H -0.833 8.696 -0.256 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c25813_2n7n 1 . 6 . 834 . 1 1 5 PRO HD2 H -0.943 5.721 -2.756 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD2 . . . . . . . . . c25813_2n7n 1 . 6 . 835 . 1 1 5 PRO HD3 H -0.052 7.267 -2.682 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c25813_2n7n 1 . 6 . 836 . 1 1 5 PRO HG2 H -2.706 6.518 -1.348 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG2 . . . . . . . . . c25813_2n7n 1 . 6 . 837 . 1 1 5 PRO HG3 H -2.273 8.060 -2.125 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c25813_2n7n 1 . 6 . 838 . 1 1 5 PRO N N 0.099 6.099 -0.906 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c25813_2n7n 1 . 6 . 839 . 1 1 5 PRO O O -1.354 6.098 2.562 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c25813_2n7n 1 . 6 . 840 . 1 1 6 . C C -2.619 2.279 1.178 . . . 1.0 . . . . . . . . . . . . A . 8 DPN C . . . . . . . . . c25813_2n7n 1 . 6 . 841 . 1 1 6 . CA C -1.853 3.367 1.992 . . . 1.0 . . . . . . . . . . . . A . 8 DPN CA . . . . . . . . . c25813_2n7n 1 . 6 . 842 . 1 1 6 . CB C -0.658 2.811 2.833 . . . 1.0 . . . . . . . . . . . . A . 8 DPN CB . . . . . . . . . c25813_2n7n 1 . 6 . 843 . 1 1 6 . CD1 C -1.080 0.453 3.701 . . . 1.0 . . . . . . . . . . . . A . 8 DPN CD1 . . . . . . . . . c25813_2n7n 1 . 6 . 844 . 1 1 6 . CD2 C -1.401 2.307 5.218 . . . 1.0 . . . . . . . . . . . . A . 8 DPN CD2 . . . . . . . . . c25813_2n7n 1 . 6 . 845 . 1 1 6 . CE1 C -1.485 -0.432 4.696 . . . 1.0 . . . . . . . . . . . . A . 8 DPN CE1 . . . . . . . . . c25813_2n7n 1 . 6 . 846 . 1 1 6 . CE2 C -1.792 1.417 6.217 . . . 1.0 . . . . . . . . . . . . A . 8 DPN CE2 . . . . . . . . . c25813_2n7n 1 . 6 . 847 . 1 1 6 . CG C -1.047 1.831 3.952 . . . 1.0 . . . . . . . . . . . . A . 8 DPN CG . . . . . . . . . c25813_2n7n 1 . 6 . 848 . 1 1 6 . CZ C -1.836 0.049 5.955 . . . 1.0 . . . . . . . . . . . . A . 8 DPN CZ . . . . . . . . . c25813_2n7n 1 . 6 . 849 . 1 1 6 . H H -1.085 4.226 0.095 . . . 1.0 . . . . . . . . . . . . A . 8 DPN H . . . . . . . . . c25813_2n7n 1 . 6 . 850 . 1 1 6 . HA H -2.592 3.812 2.690 . . . 1.0 . . . . . . . . . . . . A . 8 DPN HA . . . . . . . . . c25813_2n7n 1 . 6 . 851 . 1 1 6 . HB2 H -0.097 3.655 3.264 . . . 1.0 . . . . . . . . . . . . A . 8 DPN HB2 . . . . . . . . . c25813_2n7n 1 . 6 . 852 . 1 1 6 . HB3 H 0.089 2.337 2.170 . . . 1.0 . . . . . . . . . . . . A . 8 DPN HB3 . . . . . . . . . c25813_2n7n 1 . 6 . 853 . 1 1 6 . HD1 H -0.814 0.067 2.726 . . . 1.0 . . . . . . . . . . . . A . 8 DPN HD1 . . . . . . . . . c25813_2n7n 1 . 6 . 854 . 1 1 6 . HD2 H -1.386 3.366 5.427 . . . 1.0 . . . . . . . . . . . . A . 8 DPN HD2 . . . . . . . . . c25813_2n7n 1 . 6 . 855 . 1 1 6 . HE1 H -1.532 -1.490 4.489 . . . 1.0 . . . . . . . . . . . . A . 8 DPN HE1 . . . . . . . . . c25813_2n7n 1 . 6 . 856 . 1 1 6 . HE2 H -2.069 1.789 7.193 . . . 1.0 . . . . . . . . . . . . A . 8 DPN HE2 . . . . . . . . . c25813_2n7n 1 . 6 . 857 . 1 1 6 . HZ H -2.147 -0.639 6.728 . . . 1.0 . . . . . . . . . . . . A . 8 DPN HZ . . . . . . . . . c25813_2n7n 1 . 6 . 858 . 1 1 6 . N N -1.372 4.425 1.061 . . . 1.0 . . . . . . . . . . . . A . 8 DPN N . . . . . . . . . c25813_2n7n 1 . 6 . 859 . 1 1 6 . O O -3.836 2.137 1.313 . . . 1.0 . . . . . . . . . . . . A . 8 DPN O . . . . . . . . . c25813_2n7n 1 . 6 . 860 . 1 1 7 ARG C C -1.574 -0.868 -0.409 . . . 1.0 . . . . . . . . . . . . A . 9 ARG C . . . . . . . . . c25813_2n7n 1 . 6 . 861 . 1 1 7 ARG CA C -2.446 0.429 -0.487 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CA . . . . . . . . . c25813_2n7n 1 . 6 . 862 . 1 1 7 ARG CB C -2.591 0.976 -1.936 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CB . . . . . . . . . c25813_2n7n 1 . 6 . 863 . 1 1 7 ARG CD C -1.390 1.226 -4.250 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CD . . . . . . . . . c25813_2n7n 1 . 6 . 864 . 1 1 7 ARG CG C -1.285 1.316 -2.716 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CG . . . . . . . . . c25813_2n7n 1 . 6 . 865 . 1 1 7 ARG CZ C -1.782 -0.624 -5.904 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CZ . . . . . . . . . c25813_2n7n 1 . 6 . 866 . 1 1 7 ARG H H -0.899 1.772 0.285 . . . 1.0 . . . . . . . . . . . . A . 9 ARG H . . . . . . . . . c25813_2n7n 1 . 6 . 867 . 1 1 7 ARG HA H -3.460 0.163 -0.119 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HA . . . . . . . . . c25813_2n7n 1 . 6 . 868 . 1 1 7 ARG HB2 H -3.169 0.223 -2.493 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HB2 . . . . . . . . . c25813_2n7n 1 . 6 . 869 . 1 1 7 ARG HB3 H -3.246 1.868 -1.922 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HB3 . . . . . . . . . c25813_2n7n 1 . 6 . 870 . 1 1 7 ARG HD2 H -2.234 1.854 -4.604 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HD2 . . . . . . . . . c25813_2n7n 1 . 6 . 871 . 1 1 7 ARG HD3 H -0.469 1.655 -4.696 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HD3 . . . . . . . . . c25813_2n7n 1 . 6 . 872 . 1 1 7 ARG HE H -1.554 -0.952 -3.967 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HE . . . . . . . . . c25813_2n7n 1 . 6 . 873 . 1 1 7 ARG HG2 H -0.950 2.332 -2.427 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HG2 . . . . . . . . . c25813_2n7n 1 . 6 . 874 . 1 1 7 ARG HG3 H -0.453 0.672 -2.379 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HG3 . . . . . . . . . c25813_2n7n 1 . 6 . 875 . 1 1 7 ARG HH11 H -1.603 1.140 -6.741 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH11 . . . . . . . . . c25813_2n7n 1 . 6 . 876 . 1 1 7 ARG HH12 H -1.985 -0.254 -7.867 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH12 . . . . . . . . . c25813_2n7n 1 . 6 . 877 . 1 1 7 ARG HH21 H -2.025 -2.453 -5.201 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH21 . . . . . . . . . c25813_2n7n 1 . 6 . 878 . 1 1 7 ARG HH22 H -2.210 -2.226 -7.015 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH22 . . . . . . . . . c25813_2n7n 1 . 6 . 879 . 1 1 7 ARG N N -1.891 1.515 0.346 . . . 1.0 . . . . . . . . . . . . A . 9 ARG N . . . . . . . . . c25813_2n7n 1 . 6 . 880 . 1 1 7 ARG NE N -1.548 -0.197 -4.667 . . . 1.0 . . . . . . . . . . . . A . 9 ARG NE . . . . . . . . . c25813_2n7n 1 . 6 . 881 . 1 1 7 ARG NH1 N -1.795 0.159 -6.953 . . . 1.0 . . . . . . . . . . . . A . 9 ARG NH1 . . . . . . . . . c25813_2n7n 1 . 6 . 882 . 1 1 7 ARG NH2 N -2.011 -1.893 -6.070 . . . 1.0 . . . . . . . . . . . . A . 9 ARG NH2 . . . . . . . . . c25813_2n7n 1 . 6 . 883 . 1 1 7 ARG O O -0.367 -0.829 -0.145 . . . 1.0 . . . . . . . . . . . . A . 9 ARG O . . . . . . . . . c25813_2n7n 1 . 6 . 884 . 1 1 8 TRP C C -1.080 -3.302 -2.589 . . . 1.0 . . . . . . . . . . . . A . 10 TRP C . . . . . . . . . c25813_2n7n 1 . 6 . 885 . 1 1 8 TRP CA C -1.422 -3.252 -1.063 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CA . . . . . . . . . c25813_2n7n 1 . 6 . 886 . 1 1 8 TRP CB C -2.275 -4.459 -0.594 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CB . . . . . . . . . c25813_2n7n 1 . 6 . 887 . 1 1 8 TRP CD1 C -1.841 -6.632 -1.953 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CD1 . . . . . . . . . c25813_2n7n 1 . 6 . 888 . 1 1 8 TRP CD2 C -0.714 -6.512 -0.044 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CD2 . . . . . . . . . c25813_2n7n 1 . 6 . 889 . 1 1 8 TRP CE2 C -0.361 -7.702 -0.729 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CE2 . . . . . . . . . c25813_2n7n 1 . 6 . 890 . 1 1 8 TRP CE3 C -0.111 -6.187 1.193 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CE3 . . . . . . . . . c25813_2n7n 1 . 6 . 891 . 1 1 8 TRP CG C -1.640 -5.837 -0.812 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CG . . . . . . . . . c25813_2n7n 1 . 6 . 892 . 1 1 8 TRP CH2 C 1.188 -8.245 1.048 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CH2 . . . . . . . . . c25813_2n7n 1 . 6 . 893 . 1 1 8 TRP CZ2 C 0.605 -8.576 -0.179 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CZ2 . . . . . . . . . c25813_2n7n 1 . 6 . 894 . 1 1 8 TRP CZ3 C 0.833 -7.069 1.725 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CZ3 . . . . . . . . . c25813_2n7n 1 . 6 . 895 . 1 1 8 TRP H H -3.167 -1.943 -0.991 . . . 1.0 . . . . . . . . . . . . A . 10 TRP H . . . . . . . . . c25813_2n7n 1 . 6 . 896 . 1 1 8 TRP HA H -0.485 -3.277 -0.466 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HA . . . . . . . . . c25813_2n7n 1 . 6 . 897 . 1 1 8 TRP HB2 H -2.495 -4.357 0.481 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HB2 . . . . . . . . . c25813_2n7n 1 . 6 . 898 . 1 1 8 TRP HB3 H -3.257 -4.437 -1.099 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HB3 . . . . . . . . . c25813_2n7n 1 . 6 . 899 . 1 1 8 TRP HD1 H -2.471 -6.315 -2.770 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HD1 . . . . . . . . . c25813_2n7n 1 . 6 . 900 . 1 1 8 TRP HE1 H -0.974 -8.531 -2.641 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HE1 . . . . . . . . . c25813_2n7n 1 . 6 . 901 . 1 1 8 TRP HE3 H -0.374 -5.273 1.703 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HE3 . . . . . . . . . c25813_2n7n 1 . 6 . 902 . 1 1 8 TRP HH2 H 1.924 -8.905 1.482 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HH2 . . . . . . . . . c25813_2n7n 1 . 6 . 903 . 1 1 8 TRP HZ2 H 0.886 -9.482 -0.696 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HZ2 . . . . . . . . . c25813_2n7n 1 . 6 . 904 . 1 1 8 TRP HZ3 H 1.302 -6.839 2.670 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HZ3 . . . . . . . . . c25813_2n7n 1 . 6 . 905 . 1 1 8 TRP N N -2.180 -2.020 -0.737 . . . 1.0 . . . . . . . . . . . . A . 10 TRP N . . . . . . . . . c25813_2n7n 1 . 6 . 906 . 1 1 8 TRP NE1 N -1.056 -7.801 -1.925 . . . 1.0 . . . . . . . . . . . . A . 10 TRP NE1 . . . . . . . . . c25813_2n7n 1 . 6 . 907 . 1 1 8 TRP O O -1.895 -2.993 -3.467 . . . 1.0 . . . . . . . . . . . . A . 10 TRP O . . . . . . . . . c25813_2n7n 1 . 6 . 908 . 1 1 9 LYS C C 1.117 -5.702 -4.240 . . . 1.0 . . . . . . . . . . . . A . 11 LYS C . . . . . . . . . c25813_2n7n 1 . 6 . 909 . 1 1 9 LYS CA C 0.541 -4.248 -4.226 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CA . . . . . . . . . c25813_2n7n 1 . 6 . 910 . 1 1 9 LYS CB C 1.409 -3.173 -4.920 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CB . . . . . . . . . c25813_2n7n 1 . 6 . 911 . 1 1 9 LYS CD C 3.592 -1.834 -5.213 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CD . . . . . . . . . c25813_2n7n 1 . 6 . 912 . 1 1 9 LYS CE C 3.141 -0.374 -4.975 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CE . . . . . . . . . c25813_2n7n 1 . 6 . 913 . 1 1 9 LYS CG C 2.842 -2.918 -4.402 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CG . . . . . . . . . c25813_2n7n 1 . 6 . 914 . 1 1 9 LYS H H 0.759 -3.835 -2.067 . . . 1.0 . . . . . . . . . . . . A . 11 LYS H . . . . . . . . . c25813_2n7n 1 . 6 . 915 . 1 1 9 LYS HA H -0.364 -4.339 -4.858 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HA . . . . . . . . . c25813_2n7n 1 . 6 . 916 . 1 1 9 LYS HB2 H 1.474 -3.453 -5.980 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB2 . . . . . . . . . c25813_2n7n 1 . 6 . 917 . 1 1 9 LYS HB3 H 0.851 -2.219 -4.896 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB3 . . . . . . . . . c25813_2n7n 1 . 6 . 918 . 1 1 9 LYS HD2 H 4.678 -1.921 -5.011 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD2 . . . . . . . . . c25813_2n7n 1 . 6 . 919 . 1 1 9 LYS HD3 H 3.502 -2.066 -6.291 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD3 . . . . . . . . . c25813_2n7n 1 . 6 . 920 . 1 1 9 LYS HE2 H 3.509 0.253 -5.809 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE2 . . . . . . . . . c25813_2n7n 1 . 6 . 921 . 1 1 9 LYS HE3 H 2.039 -0.274 -5.020 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE3 . . . . . . . . . c25813_2n7n 1 . 6 . 922 . 1 1 9 LYS HG2 H 2.815 -2.649 -3.328 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG2 . . . . . . . . . c25813_2n7n 1 . 6 . 923 . 1 1 9 LYS HG3 H 3.415 -3.862 -4.457 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG3 . . . . . . . . . c25813_2n7n 1 . 6 . 924 . 1 1 9 LYS HZ1 H 4.684 0.428 -3.619 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ1 . . . . . . . . . c25813_2n7n 1 . 6 . 925 . 1 1 9 LYS N N 0.136 -3.765 -2.881 . . . 1.0 . . . . . . . . . . . . A . 11 LYS N . . . . . . . . . c25813_2n7n 1 . 6 . 926 . 1 1 9 LYS NZ N 3.698 0.174 -3.718 . . . 1.0 . . . . . . . . . . . . A . 11 LYS NZ . . . . . . . . . c25813_2n7n 1 . 6 . 927 . 1 1 9 LYS O O 0.757 -6.512 -5.088 . . . 1.0 . . . . . . . . . . . . A . 11 LYS O . . . . . . . . . c25813_2n7n 1 . 6 . 928 . 1 1 10 NH2 HN1 H 2.161 -7.129 -3.394 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 HN1 . . . . . . . . . c25813_2n7n 1 . 6 . 929 . 1 1 10 NH2 HN2 H 2.176 -5.490 -2.557 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 HN2 . . . . . . . . . c25813_2n7n 1 . 6 . 930 . 1 1 10 NH2 N N 1.995 -6.121 -3.346 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 N . . . . . . . . . c25813_2n7n 1 . 7 . 931 . 1 1 1 ACE C C 2.730 -3.958 0.685 . . . 1.0 . . . . . . . . . . . . A . 3 ACE C . . . . . . . . . c25813_2n7n 1 . 7 . 932 . 1 1 1 ACE CH3 C 3.682 -5.134 0.772 . . . 1.0 . . . . . . . . . . . . A . 3 ACE CH3 . . . . . . . . . c25813_2n7n 1 . 7 . 933 . 1 1 1 ACE H1 H 3.227 -6.034 0.321 . . . 1.0 . . . . . . . . . . . . A . 3 ACE H1 . . . . . . . . . c25813_2n7n 1 . 7 . 934 . 1 1 1 ACE H2 H 4.623 -4.931 0.232 . . . 1.0 . . . . . . . . . . . . A . 3 ACE H2 . . . . . . . . . c25813_2n7n 1 . 7 . 935 . 1 1 1 ACE H3 H 3.926 -5.384 1.821 . . . 1.0 . . . . . . . . . . . . A . 3 ACE H3 . . . . . . . . . c25813_2n7n 1 . 7 . 936 . 1 1 1 ACE O O 1.649 -4.070 0.109 . . . 1.0 . . . . . . . . . . . . A . 3 ACE O . . . . . . . . . c25813_2n7n 1 . 7 . 937 . 1 1 2 NLE C C 3.108 -0.380 0.769 . . . 1.0 . . . . . . . . . . . . A . 4 NLE C . . . . . . . . . c25813_2n7n 1 . 7 . 938 . 1 1 2 NLE CA C 2.331 -1.601 1.354 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CA . . . . . . . . . c25813_2n7n 1 . 7 . 939 . 1 1 2 NLE CB C 1.966 -1.335 2.836 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CB . . . . . . . . . c25813_2n7n 1 . 7 . 940 . 1 1 2 NLE CD C 0.593 -1.957 4.911 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CD . . . . . . . . . c25813_2n7n 1 . 7 . 941 . 1 1 2 NLE CE C -0.502 -2.872 5.478 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CE . . . . . . . . . c25813_2n7n 1 . 7 . 942 . 1 1 2 NLE CG C 0.892 -2.268 3.436 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CG . . . . . . . . . c25813_2n7n 1 . 7 . 943 . 1 1 2 NLE H H 4.045 -2.912 1.762 . . . 1.0 . . . . . . . . . . . . A . 4 NLE H . . . . . . . . . c25813_2n7n 1 . 7 . 944 . 1 1 2 NLE HA H 1.378 -1.725 0.797 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HA . . . . . . . . . c25813_2n7n 1 . 7 . 945 . 1 1 2 NLE HB2 H 1.608 -0.298 2.936 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HB2 . . . . . . . . . c25813_2n7n 1 . 7 . 946 . 1 1 2 NLE HB3 H 2.889 -1.355 3.440 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HB3 . . . . . . . . . c25813_2n7n 1 . 7 . 947 . 1 1 2 NLE HD2 H 0.284 -0.900 5.025 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HD2 . . . . . . . . . c25813_2n7n 1 . 7 . 948 . 1 1 2 NLE HD3 H 1.514 -2.063 5.517 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HD3 . . . . . . . . . c25813_2n7n 1 . 7 . 949 . 1 1 2 NLE HE1 H -0.214 -3.939 5.430 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HE1 . . . . . . . . . c25813_2n7n 1 . 7 . 950 . 1 1 2 NLE HE2 H -0.709 -2.639 6.539 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HE2 . . . . . . . . . c25813_2n7n 1 . 7 . 951 . 1 1 2 NLE HE3 H -1.456 -2.762 4.929 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HE3 . . . . . . . . . c25813_2n7n 1 . 7 . 952 . 1 1 2 NLE HG2 H 1.218 -3.321 3.339 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HG2 . . . . . . . . . c25813_2n7n 1 . 7 . 953 . 1 1 2 NLE HG3 H -0.038 -2.185 2.841 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HG3 . . . . . . . . . c25813_2n7n 1 . 7 . 954 . 1 1 2 NLE N N 3.154 -2.837 1.267 . . . 1.0 . . . . . . . . . . . . A . 4 NLE N . . . . . . . . . c25813_2n7n 1 . 7 . 955 . 1 1 2 NLE O O 4.182 -0.005 1.250 . . . 1.0 . . . . . . . . . . . . A . 4 NLE O . . . . . . . . . c25813_2n7n 1 . 7 . 956 . 1 1 3 ASP C C 2.269 2.786 -0.224 . . . 1.0 . . . . . . . . . . . . A . 5 ASP C . . . . . . . . . c25813_2n7n 1 . 7 . 957 . 1 1 3 ASP CA C 3.027 1.541 -0.817 . . . 1.0 . . . . . . . . . . . . A . 5 ASP CA . . . . . . . . . c25813_2n7n 1 . 7 . 958 . 1 1 3 ASP CB C 2.826 1.497 -2.354 . . . 1.0 . . . . . . . . . . . . A . 5 ASP CB . . . . . . . . . c25813_2n7n 1 . 7 . 959 . 1 1 3 ASP CG C 3.805 0.597 -3.115 . . . 1.0 . . . . . . . . . . . . A . 5 ASP CG . . . . . . . . . c25813_2n7n 1 . 7 . 960 . 1 1 3 ASP H H 1.607 -0.130 -0.521 . . . 1.0 . . . . . . . . . . . . A . 5 ASP H . . . . . . . . . c25813_2n7n 1 . 7 . 961 . 1 1 3 ASP HA H 4.111 1.635 -0.612 . . . 1.0 . . . . . . . . . . . . A . 5 ASP HA . . . . . . . . . c25813_2n7n 1 . 7 . 962 . 1 1 3 ASP HB2 H 1.775 1.255 -2.602 . . . 1.0 . . . . . . . . . . . . A . 5 ASP HB2 . . . . . . . . . c25813_2n7n 1 . 7 . 963 . 1 1 3 ASP HB3 H 2.972 2.511 -2.761 . . . 1.0 . . . . . . . . . . . . A . 5 ASP HB3 . . . . . . . . . c25813_2n7n 1 . 7 . 964 . 1 1 3 ASP N N 2.513 0.269 -0.238 . . . 1.0 . . . . . . . . . . . . A . 5 ASP N . . . . . . . . . c25813_2n7n 1 . 7 . 965 . 1 1 3 ASP O O 1.040 2.718 -0.109 . . . 1.0 . . . . . . . . . . . . A . 5 ASP O . . . . . . . . . c25813_2n7n 1 . 7 . 966 . 1 1 3 ASP OD1 O 4.958 0.980 -3.321 . . . 1.0 . . . . . . . . . . . . A . 5 ASP OD1 . . . . . . . . . c25813_2n7n 1 . 7 . 967 . 1 1 4 PRO C C 1.239 5.877 -0.360 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . c25813_2n7n 1 . 7 . 968 . 1 1 4 PRO CA C 2.176 5.130 0.669 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . c25813_2n7n 1 . 7 . 969 . 1 1 4 PRO CB C 3.347 5.999 1.172 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . c25813_2n7n 1 . 7 . 970 . 1 1 4 PRO CD C 4.355 4.162 -0.032 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . c25813_2n7n 1 . 7 . 971 . 1 1 4 PRO CG C 4.529 5.653 0.261 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . c25813_2n7n 1 . 7 . 972 . 1 1 4 PRO HA H 1.602 4.808 1.552 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . c25813_2n7n 1 . 7 . 973 . 1 1 4 PRO HB2 H 3.121 7.083 1.176 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB2 . . . . . . . . . c25813_2n7n 1 . 7 . 974 . 1 1 4 PRO HB3 H 3.593 5.732 2.218 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . c25813_2n7n 1 . 7 . 975 . 1 1 4 PRO HD2 H 4.717 3.911 -1.049 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD2 . . . . . . . . . c25813_2n7n 1 . 7 . 976 . 1 1 4 PRO HD3 H 4.918 3.542 0.693 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . c25813_2n7n 1 . 7 . 977 . 1 1 4 PRO HG2 H 4.462 6.233 -0.679 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG2 . . . . . . . . . c25813_2n7n 1 . 7 . 978 . 1 1 4 PRO HG3 H 5.508 5.887 0.718 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . c25813_2n7n 1 . 7 . 979 . 1 1 4 PRO N N 2.902 3.946 0.121 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . c25813_2n7n 1 . 7 . 980 . 1 1 4 PRO O O 1.669 6.052 -1.508 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . c25813_2n7n 1 . 7 . 981 . 1 1 5 PRO C C -1.554 5.039 1.548 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c25813_2n7n 1 . 7 . 982 . 1 1 5 PRO CA C -0.634 6.289 1.314 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c25813_2n7n 1 . 7 . 983 . 1 1 5 PRO CB C -1.384 7.640 1.330 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c25813_2n7n 1 . 7 . 984 . 1 1 5 PRO CD C -0.730 7.265 -0.957 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c25813_2n7n 1 . 7 . 985 . 1 1 5 PRO CG C -1.858 7.853 -0.110 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c25813_2n7n 1 . 7 . 986 . 1 1 5 PRO HA H 0.116 6.327 2.126 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c25813_2n7n 1 . 7 . 987 . 1 1 5 PRO HB2 H -2.214 7.672 2.060 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB2 . . . . . . . . . c25813_2n7n 1 . 7 . 988 . 1 1 5 PRO HB3 H -0.690 8.455 1.621 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c25813_2n7n 1 . 7 . 989 . 1 1 5 PRO HD2 H -1.109 6.736 -1.852 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD2 . . . . . . . . . c25813_2n7n 1 . 7 . 990 . 1 1 5 PRO HD3 H -0.052 8.064 -1.311 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c25813_2n7n 1 . 7 . 991 . 1 1 5 PRO HG2 H -2.801 7.302 -0.290 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG2 . . . . . . . . . c25813_2n7n 1 . 7 . 992 . 1 1 5 PRO HG3 H -2.056 8.916 -0.343 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c25813_2n7n 1 . 7 . 993 . 1 1 5 PRO N N -0.009 6.353 -0.041 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c25813_2n7n 1 . 7 . 994 . 1 1 5 PRO O O -2.787 5.120 1.589 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c25813_2n7n 1 . 7 . 995 . 1 1 6 . C C -2.345 1.921 0.758 . . . 1.0 . . . . . . . . . . . . A . 8 DPN C . . . . . . . . . c25813_2n7n 1 . 7 . 996 . 1 1 6 . CA C -1.640 2.581 1.990 . . . 1.0 . . . . . . . . . . . . A . 8 DPN CA . . . . . . . . . c25813_2n7n 1 . 7 . 997 . 1 1 6 . CB C -0.609 1.599 2.624 . . . 1.0 . . . . . . . . . . . . A . 8 DPN CB . . . . . . . . . c25813_2n7n 1 . 7 . 998 . 1 1 6 . CD1 C 1.342 2.472 4.004 . . . 1.0 . . . . . . . . . . . . A . 8 DPN CD1 . . . . . . . . . c25813_2n7n 1 . 7 . 999 . 1 1 6 . CD2 C -0.699 1.889 5.157 . . . 1.0 . . . . . . . . . . . . A . 8 DPN CD2 . . . . . . . . . c25813_2n7n 1 . 7 . 1000 . 1 1 6 . CE1 C 1.927 2.823 5.218 . . . 1.0 . . . . . . . . . . . . A . 8 DPN CE1 . . . . . . . . . c25813_2n7n 1 . 7 . 1001 . 1 1 6 . CE2 C -0.111 2.240 6.371 . . . 1.0 . . . . . . . . . . . . A . 8 DPN CE2 . . . . . . . . . c25813_2n7n 1 . 7 . 1002 . 1 1 6 . CG C 0.024 2.004 3.966 . . . 1.0 . . . . . . . . . . . . A . 8 DPN CG . . . . . . . . . c25813_2n7n 1 . 7 . 1003 . 1 1 6 . CZ C 1.201 2.705 6.401 . . . 1.0 . . . . . . . . . . . . A . 8 DPN CZ . . . . . . . . . c25813_2n7n 1 . 7 . 1004 . 1 1 6 . H H 0.033 3.846 1.357 . . . 1.0 . . . . . . . . . . . . A . 8 DPN H . . . . . . . . . c25813_2n7n 1 . 7 . 1005 . 1 1 6 . HA H -2.431 2.769 2.744 . . . 1.0 . . . . . . . . . . . . A . 8 DPN HA . . . . . . . . . c25813_2n7n 1 . 7 . 1006 . 1 1 6 . HB2 H 0.190 1.376 1.891 . . . 1.0 . . . . . . . . . . . . A . 8 DPN HB2 . . . . . . . . . c25813_2n7n 1 . 7 . 1007 . 1 1 6 . HB3 H -1.096 0.618 2.750 . . . 1.0 . . . . . . . . . . . . A . 8 DPN HB3 . . . . . . . . . c25813_2n7n 1 . 7 . 1008 . 1 1 6 . HD1 H 1.920 2.561 3.094 . . . 1.0 . . . . . . . . . . . . A . 8 DPN HD1 . . . . . . . . . c25813_2n7n 1 . 7 . 1009 . 1 1 6 . HD2 H -1.717 1.523 5.147 . . . 1.0 . . . . . . . . . . . . A . 8 DPN HD2 . . . . . . . . . c25813_2n7n 1 . 7 . 1010 . 1 1 6 . HE1 H 2.947 3.181 5.243 . . . 1.0 . . . . . . . . . . . . A . 8 DPN HE1 . . . . . . . . . c25813_2n7n 1 . 7 . 1011 . 1 1 6 . HE2 H -0.673 2.147 7.291 . . . 1.0 . . . . . . . . . . . . A . 8 DPN HE2 . . . . . . . . . c25813_2n7n 1 . 7 . 1012 . 1 1 6 . HZ H 1.657 2.975 7.343 . . . 1.0 . . . . . . . . . . . . A . 8 DPN HZ . . . . . . . . . c25813_2n7n 1 . 7 . 1013 . 1 1 6 . N N -0.939 3.860 1.683 . . . 1.0 . . . . . . . . . . . . A . 8 DPN N . . . . . . . . . c25813_2n7n 1 . 7 . 1014 . 1 1 6 . O O -3.543 1.641 0.811 . . . 1.0 . . . . . . . . . . . . A . 8 DPN O . . . . . . . . . c25813_2n7n 1 . 7 . 1015 . 1 1 7 ARG C C -1.267 -0.598 -1.264 . . . 1.0 . . . . . . . . . . . . A . 9 ARG C . . . . . . . . . c25813_2n7n 1 . 7 . 1016 . 1 1 7 ARG CA C -2.024 0.761 -1.429 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CA . . . . . . . . . c25813_2n7n 1 . 7 . 1017 . 1 1 7 ARG CB C -1.692 1.394 -2.807 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CB . . . . . . . . . c25813_2n7n 1 . 7 . 1018 . 1 1 7 ARG CD C -2.362 3.957 -2.839 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CD . . . . . . . . . c25813_2n7n 1 . 7 . 1019 . 1 1 7 ARG CG C -2.615 2.518 -3.352 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CG . . . . . . . . . c25813_2n7n 1 . 7 . 1020 . 1 1 7 ARG CZ C -4.368 4.647 -1.475 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CZ . . . . . . . . . c25813_2n7n 1 . 7 . 1021 . 1 1 7 ARG H H -0.610 1.932 -0.226 . . . 1.0 . . . . . . . . . . . . A . 9 ARG H . . . . . . . . . c25813_2n7n 1 . 7 . 1022 . 1 1 7 ARG HA H -3.119 0.586 -1.389 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HA . . . . . . . . . c25813_2n7n 1 . 7 . 1023 . 1 1 7 ARG HB2 H -0.633 1.710 -2.829 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HB2 . . . . . . . . . c25813_2n7n 1 . 7 . 1024 . 1 1 7 ARG HB3 H -1.734 0.577 -3.554 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HB3 . . . . . . . . . c25813_2n7n 1 . 7 . 1025 . 1 1 7 ARG HD2 H -1.273 4.105 -2.677 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HD2 . . . . . . . . . c25813_2n7n 1 . 7 . 1026 . 1 1 7 ARG HD3 H -2.602 4.695 -3.630 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HD3 . . . . . . . . . c25813_2n7n 1 . 7 . 1027 . 1 1 7 ARG HE H -2.624 4.190 -0.667 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HE . . . . . . . . . c25813_2n7n 1 . 7 . 1028 . 1 1 7 ARG HG2 H -2.469 2.543 -4.450 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HG2 . . . . . . . . . c25813_2n7n 1 . 7 . 1029 . 1 1 7 ARG HG3 H -3.678 2.230 -3.234 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HG3 . . . . . . . . . c25813_2n7n 1 . 7 . 1030 . 1 1 7 ARG HH11 H -4.738 4.521 -3.394 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH11 . . . . . . . . . c25813_2n7n 1 . 7 . 1031 . 1 1 7 ARG HH12 H -6.144 5.029 -2.332 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH12 . . . . . . . . . c25813_2n7n 1 . 7 . 1032 . 1 1 7 ARG HH21 H -4.157 4.874 0.487 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH21 . . . . . . . . . c25813_2n7n 1 . 7 . 1033 . 1 1 7 ARG HH22 H -5.821 5.173 -0.217 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH22 . . . . . . . . . c25813_2n7n 1 . 7 . 1034 . 1 1 7 ARG N N -1.600 1.662 -0.331 . . . 1.0 . . . . . . . . . . . . A . 9 ARG N . . . . . . . . . c25813_2n7n 1 . 7 . 1035 . 1 1 7 ARG NE N -3.088 4.287 -1.578 . . . 1.0 . . . . . . . . . . . . A . 9 ARG NE . . . . . . . . . c25813_2n7n 1 . 7 . 1036 . 1 1 7 ARG NH1 N -5.175 4.753 -2.500 . . . 1.0 . . . . . . . . . . . . A . 9 ARG NH1 . . . . . . . . . c25813_2n7n 1 . 7 . 1037 . 1 1 7 ARG NH2 N -4.838 4.907 -0.292 . . . 1.0 . . . . . . . . . . . . A . 9 ARG NH2 . . . . . . . . . c25813_2n7n 1 . 7 . 1038 . 1 1 7 ARG O O -0.046 -0.641 -1.075 . . . 1.0 . . . . . . . . . . . . A . 9 ARG O . . . . . . . . . c25813_2n7n 1 . 7 . 1039 . 1 1 8 TRP C C -0.864 -3.650 -2.515 . . . 1.0 . . . . . . . . . . . . A . 10 TRP C . . . . . . . . . c25813_2n7n 1 . 7 . 1040 . 1 1 8 TRP CA C -1.443 -3.071 -1.180 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CA . . . . . . . . . c25813_2n7n 1 . 7 . 1041 . 1 1 8 TRP CB C -2.582 -3.924 -0.564 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CB . . . . . . . . . c25813_2n7n 1 . 7 . 1042 . 1 1 8 TRP CD1 C -2.673 -6.471 -1.048 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CD1 . . . . . . . . . c25813_2n7n 1 . 7 . 1043 . 1 1 8 TRP CD2 C -1.467 -5.930 0.737 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CD2 . . . . . . . . . c25813_2n7n 1 . 7 . 1044 . 1 1 8 TRP CE2 C -1.422 -7.334 0.544 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CE2 . . . . . . . . . c25813_2n7n 1 . 7 . 1045 . 1 1 8 TRP CE3 C -0.763 -5.327 1.806 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CE3 . . . . . . . . . c25813_2n7n 1 . 7 . 1046 . 1 1 8 TRP CG C -2.246 -5.387 -0.265 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CG . . . . . . . . . c25813_2n7n 1 . 7 . 1047 . 1 1 8 TRP CH2 C 0.036 -7.532 2.465 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CH2 . . . . . . . . . c25813_2n7n 1 . 7 . 1048 . 1 1 8 TRP CZ2 C -0.660 -8.143 1.418 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CZ2 . . . . . . . . . c25813_2n7n 1 . 7 . 1049 . 1 1 8 TRP CZ3 C -0.016 -6.146 2.656 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CZ3 . . . . . . . . . c25813_2n7n 1 . 7 . 1050 . 1 1 8 TRP H H -2.936 -1.572 -1.756 . . . 1.0 . . . . . . . . . . . . A . 10 TRP H . . . . . . . . . c25813_2n7n 1 . 7 . 1051 . 1 1 8 TRP HA H -0.636 -3.026 -0.419 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HA . . . . . . . . . c25813_2n7n 1 . 7 . 1052 . 1 1 8 TRP HB2 H -2.918 -3.465 0.383 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HB2 . . . . . . . . . c25813_2n7n 1 . 7 . 1053 . 1 1 8 TRP HB3 H -3.463 -3.895 -1.229 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HB3 . . . . . . . . . c25813_2n7n 1 . 7 . 1054 . 1 1 8 TRP HD1 H -3.286 -6.342 -1.929 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HD1 . . . . . . . . . c25813_2n7n 1 . 7 . 1055 . 1 1 8 TRP HE1 H -2.346 -8.645 -0.920 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HE1 . . . . . . . . . c25813_2n7n 1 . 7 . 1056 . 1 1 8 TRP HE3 H -0.795 -4.258 1.947 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HE3 . . . . . . . . . c25813_2n7n 1 . 7 . 1057 . 1 1 8 TRP HH2 H 0.622 -8.141 3.139 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HH2 . . . . . . . . . c25813_2n7n 1 . 7 . 1058 . 1 1 8 TRP HZ2 H -0.614 -9.213 1.276 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HZ2 . . . . . . . . . c25813_2n7n 1 . 7 . 1059 . 1 1 8 TRP HZ3 H 0.532 -5.702 3.474 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HZ3 . . . . . . . . . c25813_2n7n 1 . 7 . 1060 . 1 1 8 TRP N N -2.005 -1.710 -1.358 . . . 1.0 . . . . . . . . . . . . A . 10 TRP N . . . . . . . . . c25813_2n7n 1 . 7 . 1061 . 1 1 8 TRP NE1 N -2.174 -7.698 -0.562 . . . 1.0 . . . . . . . . . . . . A . 10 TRP NE1 . . . . . . . . . c25813_2n7n 1 . 7 . 1062 . 1 1 8 TRP O O -1.450 -3.528 -3.594 . . . 1.0 . . . . . . . . . . . . A . 10 TRP O . . . . . . . . . c25813_2n7n 1 . 7 . 1063 . 1 1 9 LYS C C 0.425 -6.377 -3.912 . . . 1.0 . . . . . . . . . . . . A . 11 LYS C . . . . . . . . . c25813_2n7n 1 . 7 . 1064 . 1 1 9 LYS CA C 0.992 -4.972 -3.531 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CA . . . . . . . . . c25813_2n7n 1 . 7 . 1065 . 1 1 9 LYS CB C 2.515 -5.037 -3.206 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CB . . . . . . . . . c25813_2n7n 1 . 7 . 1066 . 1 1 9 LYS CD C 3.435 -2.909 -4.388 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CD . . . . . . . . . c25813_2n7n 1 . 7 . 1067 . 1 1 9 LYS CE C 4.171 -1.565 -4.238 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CE . . . . . . . . . c25813_2n7n 1 . 7 . 1068 . 1 1 9 LYS CG C 3.280 -3.700 -3.067 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CG . . . . . . . . . c25813_2n7n 1 . 7 . 1069 . 1 1 9 LYS H H 0.672 -4.311 -1.435 . . . 1.0 . . . . . . . . . . . . A . 11 LYS H . . . . . . . . . c25813_2n7n 1 . 7 . 1070 . 1 1 9 LYS HA H 0.869 -4.347 -4.437 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HA . . . . . . . . . c25813_2n7n 1 . 7 . 1071 . 1 1 9 LYS HB2 H 2.657 -5.614 -2.271 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB2 . . . . . . . . . c25813_2n7n 1 . 7 . 1072 . 1 1 9 LYS HB3 H 3.024 -5.644 -3.978 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB3 . . . . . . . . . c25813_2n7n 1 . 7 . 1073 . 1 1 9 LYS HD2 H 3.990 -3.533 -5.113 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD2 . . . . . . . . . c25813_2n7n 1 . 7 . 1074 . 1 1 9 LYS HD3 H 2.449 -2.737 -4.860 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD3 . . . . . . . . . c25813_2n7n 1 . 7 . 1075 . 1 1 9 LYS HE2 H 5.140 -1.711 -3.717 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE2 . . . . . . . . . c25813_2n7n 1 . 7 . 1076 . 1 1 9 LYS HE3 H 4.430 -1.168 -5.239 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE3 . . . . . . . . . c25813_2n7n 1 . 7 . 1077 . 1 1 9 LYS HG2 H 2.787 -3.073 -2.299 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG2 . . . . . . . . . c25813_2n7n 1 . 7 . 1078 . 1 1 9 LYS HG3 H 4.285 -3.909 -2.654 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG3 . . . . . . . . . c25813_2n7n 1 . 7 . 1079 . 1 1 9 LYS HZ1 H 2.378 -0.789 -3.213 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ1 . . . . . . . . . c25813_2n7n 1 . 7 . 1080 . 1 1 9 LYS N N 0.286 -4.320 -2.391 . . . 1.0 . . . . . . . . . . . . A . 11 LYS N . . . . . . . . . c25813_2n7n 1 . 7 . 1081 . 1 1 9 LYS NZ N 3.331 -0.580 -3.525 . . . 1.0 . . . . . . . . . . . . A . 11 LYS NZ . . . . . . . . . c25813_2n7n 1 . 7 . 1082 . 1 1 9 LYS O O 0.129 -6.651 -5.070 . . . 1.0 . . . . . . . . . . . . A . 11 LYS O . . . . . . . . . c25813_2n7n 1 . 7 . 1083 . 1 1 10 NH2 HN1 H -0.220 -8.144 -3.376 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 HN1 . . . . . . . . . c25813_2n7n 1 . 7 . 1084 . 1 1 10 NH2 HN2 H 0.309 -7.021 -2.029 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 HN2 . . . . . . . . . c25813_2n7n 1 . 7 . 1085 . 1 1 10 NH2 N N 0.265 -7.326 -3.007 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 N . . . . . . . . . c25813_2n7n 1 . 8 . 1086 . 1 1 1 ACE C C 2.862 -3.848 0.614 . . . 1.0 . . . . . . . . . . . . A . 3 ACE C . . . . . . . . . c25813_2n7n 1 . 8 . 1087 . 1 1 1 ACE CH3 C 3.818 -5.022 0.668 . . . 1.0 . . . . . . . . . . . . A . 3 ACE CH3 . . . . . . . . . c25813_2n7n 1 . 8 . 1088 . 1 1 1 ACE H1 H 4.744 -4.813 0.103 . . . 1.0 . . . . . . . . . . . . A . 3 ACE H1 . . . . . . . . . c25813_2n7n 1 . 8 . 1089 . 1 1 1 ACE H2 H 4.091 -5.276 1.709 . . . 1.0 . . . . . . . . . . . . A . 3 ACE H2 . . . . . . . . . c25813_2n7n 1 . 8 . 1090 . 1 1 1 ACE H3 H 3.353 -5.920 0.225 . . . 1.0 . . . . . . . . . . . . A . 3 ACE H3 . . . . . . . . . c25813_2n7n 1 . 8 . 1091 . 1 1 1 ACE O O 1.774 -3.952 0.050 . . . 1.0 . . . . . . . . . . . . A . 3 ACE O . . . . . . . . . c25813_2n7n 1 . 8 . 1092 . 1 1 2 NLE C C 3.147 -0.308 0.629 . . . 1.0 . . . . . . . . . . . . A . 4 NLE C . . . . . . . . . c25813_2n7n 1 . 8 . 1093 . 1 1 2 NLE CA C 2.455 -1.511 1.343 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CA . . . . . . . . . c25813_2n7n 1 . 8 . 1094 . 1 1 2 NLE CB C 2.262 -1.176 2.844 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CB . . . . . . . . . c25813_2n7n 1 . 8 . 1095 . 1 1 2 NLE CD C 1.321 -1.765 5.161 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CD . . . . . . . . . c25813_2n7n 1 . 8 . 1096 . 1 1 2 NLE CE C 0.632 -2.843 6.008 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CE . . . . . . . . . c25813_2n7n 1 . 8 . 1097 . 1 1 2 NLE CG C 1.536 -2.229 3.710 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CG . . . . . . . . . c25813_2n7n 1 . 8 . 1098 . 1 1 2 NLE H H 4.187 -2.811 1.691 . . . 1.0 . . . . . . . . . . . . A . 4 NLE H . . . . . . . . . c25813_2n7n 1 . 8 . 1099 . 1 1 2 NLE HA H 1.445 -1.672 0.906 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HA . . . . . . . . . c25813_2n7n 1 . 8 . 1100 . 1 1 2 NLE HB2 H 1.705 -0.225 2.916 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HB2 . . . . . . . . . c25813_2n7n 1 . 8 . 1101 . 1 1 2 NLE HB3 H 3.251 -0.948 3.282 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HB3 . . . . . . . . . c25813_2n7n 1 . 8 . 1102 . 1 1 2 NLE HD2 H 0.711 -0.841 5.176 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HD2 . . . . . . . . . c25813_2n7n 1 . 8 . 1103 . 1 1 2 NLE HD3 H 2.290 -1.494 5.624 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HD3 . . . . . . . . . c25813_2n7n 1 . 8 . 1104 . 1 1 2 NLE HE1 H 1.237 -3.768 6.072 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HE1 . . . . . . . . . c25813_2n7n 1 . 8 . 1105 . 1 1 2 NLE HE2 H 0.463 -2.493 7.043 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HE2 . . . . . . . . . c25813_2n7n 1 . 8 . 1106 . 1 1 2 NLE HE3 H -0.355 -3.122 5.596 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HE3 . . . . . . . . . c25813_2n7n 1 . 8 . 1107 . 1 1 2 NLE HG2 H 2.111 -3.175 3.704 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HG2 . . . . . . . . . c25813_2n7n 1 . 8 . 1108 . 1 1 2 NLE HG3 H 0.560 -2.471 3.254 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HG3 . . . . . . . . . c25813_2n7n 1 . 8 . 1109 . 1 1 2 NLE N N 3.289 -2.735 1.207 . . . 1.0 . . . . . . . . . . . . A . 4 NLE N . . . . . . . . . c25813_2n7n 1 . 8 . 1110 . 1 1 2 NLE O O 4.248 0.110 1.000 . . . 1.0 . . . . . . . . . . . . A . 4 NLE O . . . . . . . . . c25813_2n7n 1 . 8 . 1111 . 1 1 3 ASP C C 2.175 2.776 -0.353 . . . 1.0 . . . . . . . . . . . . A . 5 ASP C . . . . . . . . . c25813_2n7n 1 . 8 . 1112 . 1 1 3 ASP CA C 2.903 1.547 -1.009 . . . 1.0 . . . . . . . . . . . . A . 5 ASP CA . . . . . . . . . c25813_2n7n 1 . 8 . 1113 . 1 1 3 ASP CB C 2.591 1.480 -2.523 . . . 1.0 . . . . . . . . . . . . A . 5 ASP CB . . . . . . . . . c25813_2n7n 1 . 8 . 1114 . 1 1 3 ASP CG C 3.534 0.600 -3.351 . . . 1.0 . . . . . . . . . . . . A . 5 ASP CG . . . . . . . . . c25813_2n7n 1 . 8 . 1115 . 1 1 3 ASP H H 1.559 -0.151 -0.583 . . . 1.0 . . . . . . . . . . . . A . 5 ASP H . . . . . . . . . c25813_2n7n 1 . 8 . 1116 . 1 1 3 ASP HA H 4.000 1.656 -0.907 . . . 1.0 . . . . . . . . . . . . A . 5 ASP HA . . . . . . . . . c25813_2n7n 1 . 8 . 1117 . 1 1 3 ASP HB2 H 1.533 1.208 -2.688 . . . 1.0 . . . . . . . . . . . . A . 5 ASP HB2 . . . . . . . . . c25813_2n7n 1 . 8 . 1118 . 1 1 3 ASP HB3 H 2.681 2.496 -2.941 . . . 1.0 . . . . . . . . . . . . A . 5 ASP HB3 . . . . . . . . . c25813_2n7n 1 . 8 . 1119 . 1 1 3 ASP N N 2.467 0.280 -0.362 . . . 1.0 . . . . . . . . . . . . A . 5 ASP N . . . . . . . . . c25813_2n7n 1 . 8 . 1120 . 1 1 3 ASP O O 0.938 2.758 -0.300 . . . 1.0 . . . . . . . . . . . . A . 5 ASP O . . . . . . . . . c25813_2n7n 1 . 8 . 1121 . 1 1 3 ASP OD1 O 4.637 1.032 -3.687 . . . 1.0 . . . . . . . . . . . . A . 5 ASP OD1 . . . . . . . . . c25813_2n7n 1 . 8 . 1122 . 1 1 4 PRO C C 1.326 5.939 -0.096 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . c25813_2n7n 1 . 8 . 1123 . 1 1 4 PRO CA C 2.172 4.986 0.834 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . c25813_2n7n 1 . 8 . 1124 . 1 1 4 PRO CB C 3.366 5.689 1.511 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . c25813_2n7n 1 . 8 . 1125 . 1 1 4 PRO CD C 4.318 4.012 0.055 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . c25813_2n7n 1 . 8 . 1126 . 1 1 4 PRO CG C 4.563 5.421 0.594 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . c25813_2n7n 1 . 8 . 1127 . 1 1 4 PRO HA H 1.526 4.561 1.625 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . c25813_2n7n 1 . 8 . 1128 . 1 1 4 PRO HB2 H 3.200 6.770 1.686 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB2 . . . . . . . . . c25813_2n7n 1 . 8 . 1129 . 1 1 4 PRO HB3 H 3.551 5.239 2.506 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . c25813_2n7n 1 . 8 . 1130 . 1 1 4 PRO HD2 H 4.691 3.908 -0.984 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD2 . . . . . . . . . c25813_2n7n 1 . 8 . 1131 . 1 1 4 PRO HD3 H 4.819 3.245 0.677 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . c25813_2n7n 1 . 8 . 1132 . 1 1 4 PRO HG2 H 4.568 6.150 -0.241 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG2 . . . . . . . . . c25813_2n7n 1 . 8 . 1133 . 1 1 4 PRO HG3 H 5.535 5.516 1.115 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . c25813_2n7n 1 . 8 . 1134 . 1 1 4 PRO N N 2.852 3.859 0.134 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . c25813_2n7n 1 . 8 . 1135 . 1 1 4 PRO O O 1.747 6.177 -1.235 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . c25813_2n7n 1 . 8 . 1136 . 1 1 5 PRO C C -1.171 5.109 2.150 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c25813_2n7n 1 . 8 . 1137 . 1 1 5 PRO CA C -0.411 6.407 1.700 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c25813_2n7n 1 . 8 . 1138 . 1 1 5 PRO CB C -1.323 7.654 1.725 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c25813_2n7n 1 . 8 . 1139 . 1 1 5 PRO CD C -0.605 7.435 -0.555 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c25813_2n7n 1 . 8 . 1140 . 1 1 5 PRO CG C -1.818 7.821 0.287 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c25813_2n7n 1 . 8 . 1141 . 1 1 5 PRO HA H 0.393 6.565 2.444 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c25813_2n7n 1 . 8 . 1142 . 1 1 5 PRO HB2 H -2.153 7.584 2.454 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB2 . . . . . . . . . c25813_2n7n 1 . 8 . 1143 . 1 1 5 PRO HB3 H -0.734 8.545 2.023 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c25813_2n7n 1 . 8 . 1144 . 1 1 5 PRO HD2 H -0.896 6.968 -1.517 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD2 . . . . . . . . . c25813_2n7n 1 . 8 . 1145 . 1 1 5 PRO HD3 H 0.015 8.322 -0.793 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c25813_2n7n 1 . 8 . 1146 . 1 1 5 PRO HG2 H -2.660 7.129 0.089 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG2 . . . . . . . . . c25813_2n7n 1 . 8 . 1147 . 1 1 5 PRO HG3 H -2.179 8.845 0.073 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c25813_2n7n 1 . 8 . 1148 . 1 1 5 PRO N N 0.146 6.501 0.312 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c25813_2n7n 1 . 8 . 1149 . 1 1 5 PRO O O -1.610 5.045 3.301 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c25813_2n7n 1 . 8 . 1150 . 1 1 6 . C C -2.540 2.062 0.432 . . . 1.0 . . . . . . . . . . . . A . 8 DPN C . . . . . . . . . c25813_2n7n 1 . 8 . 1151 . 1 1 6 . CA C -1.912 2.769 1.675 . . . 1.0 . . . . . . . . . . . . A . 8 DPN CA . . . . . . . . . c25813_2n7n 1 . 8 . 1152 . 1 1 6 . CB C -0.870 1.883 2.433 . . . 1.0 . . . . . . . . . . . . A . 8 DPN CB . . . . . . . . . c25813_2n7n 1 . 8 . 1153 . 1 1 6 . CD1 C -1.907 0.843 4.508 . . . 1.0 . . . . . . . . . . . . A . 8 DPN CD1 . . . . . . . . . c25813_2n7n 1 . 8 . 1154 . 1 1 6 . CD2 C -1.631 -0.550 2.554 . . . 1.0 . . . . . . . . . . . . A . 8 DPN CD2 . . . . . . . . . c25813_2n7n 1 . 8 . 1155 . 1 1 6 . CE1 C -2.493 -0.224 5.184 . . . 1.0 . . . . . . . . . . . . A . 8 DPN CE1 . . . . . . . . . c25813_2n7n 1 . 8 . 1156 . 1 1 6 . CE2 C -2.227 -1.613 3.228 . . . 1.0 . . . . . . . . . . . . A . 8 DPN CE2 . . . . . . . . . c25813_2n7n 1 . 8 . 1157 . 1 1 6 . CG C -1.475 0.688 3.187 . . . 1.0 . . . . . . . . . . . . A . 8 DPN CG . . . . . . . . . c25813_2n7n 1 . 8 . 1158 . 1 1 6 . CZ C -2.656 -1.450 4.543 . . . 1.0 . . . . . . . . . . . . A . 8 DPN CZ . . . . . . . . . c25813_2n7n 1 . 8 . 1159 . 1 1 6 . H H -0.790 4.214 0.417 . . . 1.0 . . . . . . . . . . . . A . 8 DPN H . . . . . . . . . c25813_2n7n 1 . 8 . 1160 . 1 1 6 . HA H -2.757 2.968 2.365 . . . 1.0 . . . . . . . . . . . . A . 8 DPN HA . . . . . . . . . c25813_2n7n 1 . 8 . 1161 . 1 1 6 . HB2 H -0.301 2.509 3.139 . . . 1.0 . . . . . . . . . . . . A . 8 DPN HB2 . . . . . . . . . c25813_2n7n 1 . 8 . 1162 . 1 1 6 . HB3 H -0.082 1.529 1.740 . . . 1.0 . . . . . . . . . . . . A . 8 DPN HB3 . . . . . . . . . c25813_2n7n 1 . 8 . 1163 . 1 1 6 . HD1 H -1.800 1.794 5.011 . . . 1.0 . . . . . . . . . . . . A . 8 DPN HD1 . . . . . . . . . c25813_2n7n 1 . 8 . 1164 . 1 1 6 . HD2 H -1.300 -0.690 1.535 . . . 1.0 . . . . . . . . . . . . A . 8 DPN HD2 . . . . . . . . . c25813_2n7n 1 . 8 . 1165 . 1 1 6 . HE1 H -2.825 -0.097 6.204 . . . 1.0 . . . . . . . . . . . . A . 8 DPN HE1 . . . . . . . . . c25813_2n7n 1 . 8 . 1166 . 1 1 6 . HE2 H -2.355 -2.563 2.734 . . . 1.0 . . . . . . . . . . . . A . 8 DPN HE2 . . . . . . . . . c25813_2n7n 1 . 8 . 1167 . 1 1 6 . HZ H -3.115 -2.277 5.067 . . . 1.0 . . . . . . . . . . . . A . 8 DPN HZ . . . . . . . . . c25813_2n7n 1 . 8 . 1168 . 1 1 6 . N N -1.298 4.076 1.298 . . . 1.0 . . . . . . . . . . . . A . 8 DPN N . . . . . . . . . c25813_2n7n 1 . 8 . 1169 . 1 1 6 . O O -3.760 1.887 0.363 . . . 1.0 . . . . . . . . . . . . A . 8 DPN O . . . . . . . . . c25813_2n7n 1 . 8 . 1170 . 1 1 7 ARG C C -1.293 -0.664 -1.399 . . . 1.0 . . . . . . . . . . . . A . 9 ARG C . . . . . . . . . c25813_2n7n 1 . 8 . 1171 . 1 1 7 ARG CA C -2.092 0.664 -1.586 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CA . . . . . . . . . c25813_2n7n 1 . 8 . 1172 . 1 1 7 ARG CB C -1.827 1.291 -2.981 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CB . . . . . . . . . c25813_2n7n 1 . 8 . 1173 . 1 1 7 ARG CD C -4.059 2.613 -3.229 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CD . . . . . . . . . c25813_2n7n 1 . 8 . 1174 . 1 1 7 ARG CG C -2.522 2.633 -3.335 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CG . . . . . . . . . c25813_2n7n 1 . 8 . 1175 . 1 1 7 ARG CZ C -5.847 4.365 -3.387 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CZ . . . . . . . . . c25813_2n7n 1 . 8 . 1176 . 1 1 7 ARG H H -0.714 1.874 -0.358 . . . 1.0 . . . . . . . . . . . . A . 9 ARG H . . . . . . . . . c25813_2n7n 1 . 8 . 1177 . 1 1 7 ARG HA H -3.176 0.439 -1.522 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HA . . . . . . . . . c25813_2n7n 1 . 8 . 1178 . 1 1 7 ARG HB2 H -0.736 1.422 -3.098 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HB2 . . . . . . . . . c25813_2n7n 1 . 8 . 1179 . 1 1 7 ARG HB3 H -2.095 0.537 -3.742 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HB3 . . . . . . . . . c25813_2n7n 1 . 8 . 1180 . 1 1 7 ARG HD2 H -4.477 1.811 -3.871 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HD2 . . . . . . . . . c25813_2n7n 1 . 8 . 1181 . 1 1 7 ARG HD3 H -4.343 2.365 -2.185 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HD3 . . . . . . . . . c25813_2n7n 1 . 8 . 1182 . 1 1 7 ARG HE H -4.020 4.613 -4.128 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HE . . . . . . . . . c25813_2n7n 1 . 8 . 1183 . 1 1 7 ARG HG2 H -2.115 3.427 -2.677 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HG2 . . . . . . . . . c25813_2n7n 1 . 8 . 1184 . 1 1 7 ARG HG3 H -2.216 2.923 -4.359 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HG3 . . . . . . . . . c25813_2n7n 1 . 8 . 1185 . 1 1 7 ARG HH11 H -6.420 2.740 -2.447 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH11 . . . . . . . . . c25813_2n7n 1 . 8 . 1186 . 1 1 7 ARG HH12 H -7.676 4.060 -2.606 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH12 . . . . . . . . . c25813_2n7n 1 . 8 . 1187 . 1 1 7 ARG HH21 H -5.467 6.091 -4.296 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH21 . . . . . . . . . c25813_2n7n 1 . 8 . 1188 . 1 1 7 ARG HH22 H -7.137 5.861 -3.611 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH22 . . . . . . . . . c25813_2n7n 1 . 8 . 1189 . 1 1 7 ARG N N -1.699 1.614 -0.516 . . . 1.0 . . . . . . . . . . . . A . 9 ARG N . . . . . . . . . c25813_2n7n 1 . 8 . 1190 . 1 1 7 ARG NE N -4.606 3.940 -3.627 . . . 1.0 . . . . . . . . . . . . A . 9 ARG NE . . . . . . . . . c25813_2n7n 1 . 8 . 1191 . 1 1 7 ARG NH1 N -6.749 3.656 -2.755 . . . 1.0 . . . . . . . . . . . . A . 9 ARG NH1 . . . . . . . . . c25813_2n7n 1 . 8 . 1192 . 1 1 7 ARG NH2 N -6.181 5.553 -3.802 . . . 1.0 . . . . . . . . . . . . A . 9 ARG NH2 . . . . . . . . . c25813_2n7n 1 . 8 . 1193 . 1 1 7 ARG O O -0.066 -0.667 -1.245 . . . 1.0 . . . . . . . . . . . . A . 9 ARG O . . . . . . . . . c25813_2n7n 1 . 8 . 1194 . 1 1 8 TRP C C -0.880 -3.800 -2.459 . . . 1.0 . . . . . . . . . . . . A . 10 TRP C . . . . . . . . . c25813_2n7n 1 . 8 . 1195 . 1 1 8 TRP CA C -1.401 -3.131 -1.145 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CA . . . . . . . . . c25813_2n7n 1 . 8 . 1196 . 1 1 8 TRP CB C -2.487 -3.958 -0.412 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CB . . . . . . . . . c25813_2n7n 1 . 8 . 1197 . 1 1 8 TRP CD1 C -2.503 -6.539 -0.675 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CD1 . . . . . . . . . c25813_2n7n 1 . 8 . 1198 . 1 1 8 TRP CD2 C -1.248 -5.805 1.004 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CD2 . . . . . . . . . c25813_2n7n 1 . 8 . 1199 . 1 1 8 TRP CE2 C -1.159 -7.217 0.931 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CE2 . . . . . . . . . c25813_2n7n 1 . 8 . 1200 . 1 1 8 TRP CE3 C -0.522 -5.088 1.985 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CE3 . . . . . . . . . c25813_2n7n 1 . 8 . 1201 . 1 1 8 TRP CG C -2.086 -5.378 -0.005 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CG . . . . . . . . . c25813_2n7n 1 . 8 . 1202 . 1 1 8 TRP CH2 C 0.373 -7.201 2.803 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CH2 . . . . . . . . . c25813_2n7n 1 . 8 . 1203 . 1 1 8 TRP CZ2 C -0.337 -7.923 1.840 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CZ2 . . . . . . . . . c25813_2n7n 1 . 8 . 1204 . 1 1 8 TRP CZ3 C 0.281 -5.805 2.874 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CZ3 . . . . . . . . . c25813_2n7n 1 . 8 . 1205 . 1 1 8 TRP H H -2.961 -1.714 -1.743 . . . 1.0 . . . . . . . . . . . . A . 10 TRP H . . . . . . . . . c25813_2n7n 1 . 8 . 1206 . 1 1 8 TRP HA H -0.558 -3.012 -0.431 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HA . . . . . . . . . c25813_2n7n 1 . 8 . 1207 . 1 1 8 TRP HB2 H -2.802 -3.428 0.504 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HB2 . . . . . . . . . c25813_2n7n 1 . 8 . 1208 . 1 1 8 TRP HB3 H -3.392 -4.014 -1.042 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HB3 . . . . . . . . . c25813_2n7n 1 . 8 . 1209 . 1 1 8 TRP HD1 H -3.153 -6.505 -1.537 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HD1 . . . . . . . . . c25813_2n7n 1 . 8 . 1210 . 1 1 8 TRP HE1 H -2.088 -8.681 -0.380 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HE1 . . . . . . . . . c25813_2n7n 1 . 8 . 1211 . 1 1 8 TRP HE3 H -0.577 -4.012 2.024 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HE3 . . . . . . . . . c25813_2n7n 1 . 8 . 1212 . 1 1 8 TRP HH2 H 1.005 -7.728 3.503 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HH2 . . . . . . . . . c25813_2n7n 1 . 8 . 1213 . 1 1 8 TRP HZ2 H -0.259 -8.999 1.789 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HZ2 . . . . . . . . . c25813_2n7n 1 . 8 . 1214 . 1 1 8 TRP HZ3 H 0.844 -5.274 3.628 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HZ3 . . . . . . . . . c25813_2n7n 1 . 8 . 1215 . 1 1 8 TRP N N -2.003 -1.799 -1.398 . . . 1.0 . . . . . . . . . . . . A . 10 TRP N . . . . . . . . . c25813_2n7n 1 . 8 . 1216 . 1 1 8 TRP NE1 N -1.937 -7.702 -0.110 . . . 1.0 . . . . . . . . . . . . A . 10 TRP NE1 . . . . . . . . . c25813_2n7n 1 . 8 . 1217 . 1 1 8 TRP O O -1.531 -3.782 -3.508 . . . 1.0 . . . . . . . . . . . . A . 10 TRP O . . . . . . . . . c25813_2n7n 1 . 8 . 1218 . 1 1 9 LYS C C 0.443 -6.563 -3.782 . . . 1.0 . . . . . . . . . . . . A . 11 LYS C . . . . . . . . . c25813_2n7n 1 . 8 . 1219 . 1 1 9 LYS CA C 0.968 -5.120 -3.484 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CA . . . . . . . . . c25813_2n7n 1 . 8 . 1220 . 1 1 9 LYS CB C 2.505 -5.109 -3.236 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CB . . . . . . . . . c25813_2n7n 1 . 8 . 1221 . 1 1 9 LYS CD C 3.227 -2.956 -4.512 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CD . . . . . . . . . c25813_2n7n 1 . 8 . 1222 . 1 1 9 LYS CE C 3.910 -1.577 -4.437 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CE . . . . . . . . . c25813_2n7n 1 . 8 . 1223 . 1 1 9 LYS CG C 3.217 -3.736 -3.177 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CG . . . . . . . . . c25813_2n7n 1 . 8 . 1224 . 1 1 9 LYS H H 0.748 -4.288 -1.431 . . . 1.0 . . . . . . . . . . . . A . 11 LYS H . . . . . . . . . c25813_2n7n 1 . 8 . 1225 . 1 1 9 LYS HA H 0.780 -4.548 -4.414 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HA . . . . . . . . . c25813_2n7n 1 . 8 . 1226 . 1 1 9 LYS HB2 H 2.719 -5.649 -2.292 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB2 . . . . . . . . . c25813_2n7n 1 . 8 . 1227 . 1 1 9 LYS HB3 H 3.001 -5.717 -4.014 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB3 . . . . . . . . . c25813_2n7n 1 . 8 . 1228 . 1 1 9 LYS HD2 H 3.748 -3.565 -5.275 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD2 . . . . . . . . . c25813_2n7n 1 . 8 . 1229 . 1 1 9 LYS HD3 H 2.198 -2.833 -4.902 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD3 . . . . . . . . . c25813_2n7n 1 . 8 . 1230 . 1 1 9 LYS HE2 H 4.923 -1.672 -3.995 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE2 . . . . . . . . . c25813_2n7n 1 . 8 . 1231 . 1 1 9 LYS HE3 H 4.069 -1.186 -5.462 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE3 . . . . . . . . . c25813_2n7n 1 . 8 . 1232 . 1 1 9 LYS HG2 H 2.761 -3.118 -2.379 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG2 . . . . . . . . . c25813_2n7n 1 . 8 . 1233 . 1 1 9 LYS HG3 H 4.262 -3.893 -2.844 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG3 . . . . . . . . . c25813_2n7n 1 . 8 . 1234 . 1 1 9 LYS HZ1 H 2.187 -0.864 -3.253 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ1 . . . . . . . . . c25813_2n7n 1 . 8 . 1235 . 1 1 9 LYS N N 0.294 -4.428 -2.348 . . . 1.0 . . . . . . . . . . . . A . 11 LYS N . . . . . . . . . c25813_2n7n 1 . 8 . 1236 . 1 1 9 LYS NZ N 3.089 -0.616 -3.670 . . . 1.0 . . . . . . . . . . . . A . 11 LYS NZ . . . . . . . . . c25813_2n7n 1 . 8 . 1237 . 1 1 9 LYS O O 0.176 -6.915 -4.927 . . . 1.0 . . . . . . . . . . . . A . 11 LYS O . . . . . . . . . c25813_2n7n 1 . 8 . 1238 . 1 1 10 NH2 HN1 H 0.317 -7.111 -1.866 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 HN1 . . . . . . . . . c25813_2n7n 1 . 8 . 1239 . 1 1 10 NH2 HN2 H -0.125 -8.337 -3.164 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 HN2 . . . . . . . . . c25813_2n7n 1 . 8 . 1240 . 1 1 10 NH2 N N 0.295 -7.465 -2.828 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 N . . . . . . . . . c25813_2n7n 1 . 9 . 1241 . 1 1 1 ACE C C 2.719 -3.755 0.126 . . . 1.0 . . . . . . . . . . . . A . 3 ACE C . . . . . . . . . c25813_2n7n 1 . 9 . 1242 . 1 1 1 ACE CH3 C 3.379 -5.119 0.097 . . . 1.0 . . . . . . . . . . . . A . 3 ACE CH3 . . . . . . . . . c25813_2n7n 1 . 9 . 1243 . 1 1 1 ACE H1 H 2.837 -5.837 0.739 . . . 1.0 . . . . . . . . . . . . A . 3 ACE H1 . . . . . . . . . c25813_2n7n 1 . 9 . 1244 . 1 1 1 ACE H2 H 3.378 -5.528 -0.928 . . . 1.0 . . . . . . . . . . . . A . 3 ACE H2 . . . . . . . . . c25813_2n7n 1 . 9 . 1245 . 1 1 1 ACE H3 H 4.432 -5.073 0.432 . . . 1.0 . . . . . . . . . . . . A . 3 ACE H3 . . . . . . . . . c25813_2n7n 1 . 9 . 1246 . 1 1 1 ACE O O 2.141 -3.313 -0.865 . . . 1.0 . . . . . . . . . . . . A . 3 ACE O . . . . . . . . . c25813_2n7n 1 . 9 . 1247 . 1 1 2 NLE C C 2.996 -0.577 0.932 . . . 1.0 . . . . . . . . . . . . A . 4 NLE C . . . . . . . . . c25813_2n7n 1 . 9 . 1248 . 1 1 2 NLE CA C 2.167 -1.771 1.497 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CA . . . . . . . . . c25813_2n7n 1 . 9 . 1249 . 1 1 2 NLE CB C 1.805 -1.601 2.992 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CB . . . . . . . . . c25813_2n7n 1 . 9 . 1250 . 1 1 2 NLE CD C 2.405 -1.535 5.504 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CD . . . . . . . . . c25813_2n7n 1 . 9 . 1251 . 1 1 2 NLE CE C 1.937 -0.121 5.880 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CE . . . . . . . . . c25813_2n7n 1 . 9 . 1252 . 1 1 2 NLE CG C 2.927 -1.666 4.061 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CG . . . . . . . . . c25813_2n7n 1 . 9 . 1253 . 1 1 2 NLE H H 3.273 -3.588 2.038 . . . 1.0 . . . . . . . . . . . . A . 4 NLE H . . . . . . . . . c25813_2n7n 1 . 9 . 1254 . 1 1 2 NLE HA H 1.183 -1.786 0.982 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HA . . . . . . . . . c25813_2n7n 1 . 9 . 1255 . 1 1 2 NLE HB2 H 1.029 -2.346 3.232 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HB2 . . . . . . . . . c25813_2n7n 1 . 9 . 1256 . 1 1 2 NLE HB3 H 1.291 -0.633 3.098 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HB3 . . . . . . . . . c25813_2n7n 1 . 9 . 1257 . 1 1 2 NLE HD2 H 3.212 -1.835 6.197 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HD2 . . . . . . . . . c25813_2n7n 1 . 9 . 1258 . 1 1 2 NLE HD3 H 1.586 -2.260 5.676 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HD3 . . . . . . . . . c25813_2n7n 1 . 9 . 1259 . 1 1 2 NLE HE1 H 2.741 0.627 5.746 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HE1 . . . . . . . . . c25813_2n7n 1 . 9 . 1260 . 1 1 2 NLE HE2 H 1.075 0.206 5.272 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HE2 . . . . . . . . . c25813_2n7n 1 . 9 . 1261 . 1 1 2 NLE HE3 H 1.618 -0.072 6.938 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HE3 . . . . . . . . . c25813_2n7n 1 . 9 . 1262 . 1 1 2 NLE HG2 H 3.692 -0.890 3.867 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HG2 . . . . . . . . . c25813_2n7n 1 . 9 . 1263 . 1 1 2 NLE HG3 H 3.466 -2.627 3.971 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HG3 . . . . . . . . . c25813_2n7n 1 . 9 . 1264 . 1 1 2 NLE N N 2.800 -3.095 1.280 . . . 1.0 . . . . . . . . . . . . A . 4 NLE N . . . . . . . . . c25813_2n7n 1 . 9 . 1265 . 1 1 2 NLE O O 4.093 -0.265 1.406 . . . 1.0 . . . . . . . . . . . . A . 4 NLE O . . . . . . . . . c25813_2n7n 1 . 9 . 1266 . 1 1 3 ASP C C 2.270 2.629 -0.264 . . . 1.0 . . . . . . . . . . . . A . 5 ASP C . . . . . . . . . c25813_2n7n 1 . 9 . 1267 . 1 1 3 ASP CA C 3.025 1.311 -0.691 . . . 1.0 . . . . . . . . . . . . A . 5 ASP CA . . . . . . . . . c25813_2n7n 1 . 9 . 1268 . 1 1 3 ASP CB C 3.166 1.064 -2.215 . . . 1.0 . . . . . . . . . . . . A . 5 ASP CB . . . . . . . . . c25813_2n7n 1 . 9 . 1269 . 1 1 3 ASP CG C 1.921 1.017 -3.122 . . . 1.0 . . . . . . . . . . . . A . 5 ASP CG . . . . . . . . . c25813_2n7n 1 . 9 . 1270 . 1 1 3 ASP H H 1.549 -0.302 -0.421 . . . 1.0 . . . . . . . . . . . . A . 5 ASP H . . . . . . . . . c25813_2n7n 1 . 9 . 1271 . 1 1 3 ASP HA H 4.068 1.399 -0.332 . . . 1.0 . . . . . . . . . . . . A . 5 ASP HA . . . . . . . . . c25813_2n7n 1 . 9 . 1272 . 1 1 3 ASP HB2 H 3.786 1.878 -2.614 . . . 1.0 . . . . . . . . . . . . A . 5 ASP HB2 . . . . . . . . . c25813_2n7n 1 . 9 . 1273 . 1 1 3 ASP HB3 H 3.784 0.156 -2.357 . . . 1.0 . . . . . . . . . . . . A . 5 ASP HB3 . . . . . . . . . c25813_2n7n 1 . 9 . 1274 . 1 1 3 ASP N N 2.433 0.097 -0.078 . . . 1.0 . . . . . . . . . . . . A . 5 ASP N . . . . . . . . . c25813_2n7n 1 . 9 . 1275 . 1 1 3 ASP O O 1.032 2.614 -0.232 . . . 1.0 . . . . . . . . . . . . A . 5 ASP O . . . . . . . . . c25813_2n7n 1 . 9 . 1276 . 1 1 3 ASP OD1 O 1.125 1.956 -3.141 . . . 1.0 . . . . . . . . . . . . A . 5 ASP OD1 . . . . . . . . . c25813_2n7n 1 . 9 . 1277 . 1 1 4 PRO C C 1.399 5.796 -0.452 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . c25813_2n7n 1 . 9 . 1278 . 1 1 4 PRO CA C 2.241 4.985 0.606 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . c25813_2n7n 1 . 9 . 1279 . 1 1 4 PRO CB C 3.413 5.793 1.199 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . c25813_2n7n 1 . 9 . 1280 . 1 1 4 PRO CD C 4.408 3.916 0.065 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . c25813_2n7n 1 . 9 . 1281 . 1 1 4 PRO CG C 4.632 5.398 0.362 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . c25813_2n7n 1 . 9 . 1282 . 1 1 4 PRO HA H 1.586 4.667 1.438 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . c25813_2n7n 1 . 9 . 1283 . 1 1 4 PRO HB2 H 3.239 6.886 1.203 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB2 . . . . . . . . . c25813_2n7n 1 . 9 . 1284 . 1 1 4 PRO HB3 H 3.574 5.502 2.256 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . c25813_2n7n 1 . 9 . 1285 . 1 1 4 PRO HD2 H 4.853 3.632 -0.909 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD2 . . . . . . . . . c25813_2n7n 1 . 9 . 1286 . 1 1 4 PRO HD3 H 4.870 3.284 0.851 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . c25813_2n7n 1 . 9 . 1287 . 1 1 4 PRO HG2 H 4.646 5.977 -0.583 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG2 . . . . . . . . . c25813_2n7n 1 . 9 . 1288 . 1 1 4 PRO HG3 H 5.590 5.592 0.878 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . c25813_2n7n 1 . 9 . 1289 . 1 1 4 PRO N N 2.937 3.774 0.082 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . c25813_2n7n 1 . 9 . 1290 . 1 1 4 PRO O O 1.824 5.872 -1.612 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . c25813_2n7n 1 . 9 . 1291 . 1 1 5 PRO C C -1.053 5.315 1.928 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c25813_2n7n 1 . 9 . 1292 . 1 1 5 PRO CA C -0.323 6.538 1.265 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c25813_2n7n 1 . 9 . 1293 . 1 1 5 PRO CB C -1.257 7.757 1.103 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c25813_2n7n 1 . 9 . 1294 . 1 1 5 PRO CD C -0.539 7.198 -1.122 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c25813_2n7n 1 . 9 . 1295 . 1 1 5 PRO CG C -1.757 7.691 -0.342 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c25813_2n7n 1 . 9 . 1296 . 1 1 5 PRO HA H 0.486 6.826 1.965 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c25813_2n7n 1 . 9 . 1297 . 1 1 5 PRO HB2 H -2.086 7.783 1.836 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB2 . . . . . . . . . c25813_2n7n 1 . 9 . 1298 . 1 1 5 PRO HB3 H -0.686 8.693 1.259 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c25813_2n7n 1 . 9 . 1299 . 1 1 5 PRO HD2 H -0.828 6.588 -1.999 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD2 . . . . . . . . . c25813_2n7n 1 . 9 . 1300 . 1 1 5 PRO HD3 H 0.068 8.047 -1.494 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c25813_2n7n 1 . 9 . 1301 . 1 1 5 PRO HG2 H -2.588 6.964 -0.428 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG2 . . . . . . . . . c25813_2n7n 1 . 9 . 1302 . 1 1 5 PRO HG3 H -2.134 8.663 -0.711 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c25813_2n7n 1 . 9 . 1303 . 1 1 5 PRO N N 0.223 6.417 -0.125 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c25813_2n7n 1 . 9 . 1304 . 1 1 5 PRO O O -1.413 5.404 3.105 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c25813_2n7n 1 . 9 . 1305 . 1 1 6 . C C -2.592 2.149 0.666 . . . 1.0 . . . . . . . . . . . . A . 8 DPN C . . . . . . . . . c25813_2n7n 1 . 9 . 1306 . 1 1 6 . CA C -1.860 2.955 1.784 . . . 1.0 . . . . . . . . . . . . A . 8 DPN CA . . . . . . . . . c25813_2n7n 1 . 9 . 1307 . 1 1 6 . CB C -0.790 2.120 2.558 . . . 1.0 . . . . . . . . . . . . A . 8 DPN CB . . . . . . . . . c25813_2n7n 1 . 9 . 1308 . 1 1 6 . CD1 C -1.490 -0.313 2.868 . . . 1.0 . . . . . . . . . . . . A . 8 DPN CD1 . . . . . . . . . c25813_2n7n 1 . 9 . 1309 . 1 1 6 . CD2 C -1.686 1.187 4.751 . . . 1.0 . . . . . . . . . . . . A . 8 DPN CD2 . . . . . . . . . c25813_2n7n 1 . 9 . 1310 . 1 1 6 . CE1 C -1.967 -1.361 3.652 . . . 1.0 . . . . . . . . . . . . A . 8 DPN CE1 . . . . . . . . . c25813_2n7n 1 . 9 . 1311 . 1 1 6 . CE2 C -2.162 0.136 5.535 . . . 1.0 . . . . . . . . . . . . A . 8 DPN CE2 . . . . . . . . . c25813_2n7n 1 . 9 . 1312 . 1 1 6 . CG C -1.343 0.968 3.413 . . . 1.0 . . . . . . . . . . . . A . 8 DPN CG . . . . . . . . . c25813_2n7n 1 . 9 . 1313 . 1 1 6 . CZ C -2.299 -1.136 4.985 . . . 1.0 . . . . . . . . . . . . A . 8 DPN CZ . . . . . . . . . c25813_2n7n 1 . 9 . 1314 . 1 1 6 . H H -0.803 4.215 0.292 . . . 1.0 . . . . . . . . . . . . A . 8 DPN H . . . . . . . . . c25813_2n7n 1 . 9 . 1315 . 1 1 6 . HA H -2.647 3.251 2.507 . . . 1.0 . . . . . . . . . . . . A . 8 DPN HA . . . . . . . . . c25813_2n7n 1 . 9 . 1316 . 1 1 6 . HB2 H -0.197 2.796 3.195 . . . 1.0 . . . . . . . . . . . . A . 8 DPN HB2 . . . . . . . . . c25813_2n7n 1 . 9 . 1317 . 1 1 6 . HB3 H -0.029 1.725 1.859 . . . 1.0 . . . . . . . . . . . . A . 8 DPN HB3 . . . . . . . . . c25813_2n7n 1 . 9 . 1318 . 1 1 6 . HD1 H -1.225 -0.502 1.839 . . . 1.0 . . . . . . . . . . . . A . 8 DPN HD1 . . . . . . . . . c25813_2n7n 1 . 9 . 1319 . 1 1 6 . HD2 H -1.581 2.169 5.189 . . . 1.0 . . . . . . . . . . . . A . 8 DPN HD2 . . . . . . . . . c25813_2n7n 1 . 9 . 1320 . 1 1 6 . HE1 H -2.076 -2.348 3.226 . . . 1.0 . . . . . . . . . . . . A . 8 DPN HE1 . . . . . . . . . c25813_2n7n 1 . 9 . 1321 . 1 1 6 . HE2 H -2.421 0.310 6.569 . . . 1.0 . . . . . . . . . . . . A . 8 DPN HE2 . . . . . . . . . c25813_2n7n 1 . 9 . 1322 . 1 1 6 . HZ H -2.668 -1.949 5.593 . . . 1.0 . . . . . . . . . . . . A . 8 DPN HZ . . . . . . . . . c25813_2n7n 1 . 9 . 1323 . 1 1 6 . N N -1.239 4.189 1.222 . . . 1.0 . . . . . . . . . . . . A . 8 DPN N . . . . . . . . . c25813_2n7n 1 . 9 . 1324 . 1 1 6 . O O -3.818 2.013 0.703 . . . 1.0 . . . . . . . . . . . . A . 8 DPN O . . . . . . . . . c25813_2n7n 1 . 9 . 1325 . 1 1 7 ARG C C -1.453 -0.760 -1.060 . . . 1.0 . . . . . . . . . . . . A . 9 ARG C . . . . . . . . . c25813_2n7n 1 . 9 . 1326 . 1 1 7 ARG CA C -2.342 0.514 -1.198 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CA . . . . . . . . . c25813_2n7n 1 . 9 . 1327 . 1 1 7 ARG CB C -2.394 1.076 -2.638 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CB . . . . . . . . . c25813_2n7n 1 . 9 . 1328 . 1 1 7 ARG CD C -3.214 0.808 -5.091 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CD . . . . . . . . . c25813_2n7n 1 . 9 . 1329 . 1 1 7 ARG CG C -3.094 0.174 -3.691 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CG . . . . . . . . . c25813_2n7n 1 . 9 . 1330 . 1 1 7 ARG CZ C -4.544 2.656 -6.149 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CZ . . . . . . . . . c25813_2n7n 1 . 9 . 1331 . 1 1 7 ARG H H -0.830 1.769 -0.168 . . . 1.0 . . . . . . . . . . . . A . 9 ARG H . . . . . . . . . c25813_2n7n 1 . 9 . 1332 . 1 1 7 ARG HA H -3.383 0.250 -0.914 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HA . . . . . . . . . c25813_2n7n 1 . 9 . 1333 . 1 1 7 ARG HB2 H -2.928 2.041 -2.600 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HB2 . . . . . . . . . c25813_2n7n 1 . 9 . 1334 . 1 1 7 ARG HB3 H -1.366 1.312 -2.968 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HB3 . . . . . . . . . c25813_2n7n 1 . 9 . 1335 . 1 1 7 ARG HD2 H -2.225 1.192 -5.415 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HD2 . . . . . . . . . c25813_2n7n 1 . 9 . 1336 . 1 1 7 ARG HD3 H -3.488 0.015 -5.818 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HD3 . . . . . . . . . c25813_2n7n 1 . 9 . 1337 . 1 1 7 ARG HE H -4.769 2.105 -4.253 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HE . . . . . . . . . c25813_2n7n 1 . 9 . 1338 . 1 1 7 ARG HG2 H -2.522 -0.770 -3.787 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HG2 . . . . . . . . . c25813_2n7n 1 . 9 . 1339 . 1 1 7 ARG HG3 H -4.092 -0.142 -3.329 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HG3 . . . . . . . . . c25813_2n7n 1 . 9 . 1340 . 1 1 7 ARG HH11 H -3.273 1.799 -7.376 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH11 . . . . . . . . . c25813_2n7n 1 . 9 . 1341 . 1 1 7 ARG HH12 H -4.263 3.171 -8.073 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH12 . . . . . . . . . c25813_2n7n 1 . 9 . 1342 . 1 1 7 ARG HH21 H -5.885 3.651 -5.075 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH21 . . . . . . . . . c25813_2n7n 1 . 9 . 1343 . 1 1 7 ARG HH22 H -5.670 4.156 -6.810 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH22 . . . . . . . . . c25813_2n7n 1 . 9 . 1344 . 1 1 7 ARG N N -1.837 1.573 -0.286 . . . 1.0 . . . . . . . . . . . . A . 9 ARG N . . . . . . . . . c25813_2n7n 1 . 9 . 1345 . 1 1 7 ARG NE N -4.243 1.886 -5.104 . . . 1.0 . . . . . . . . . . . . A . 9 ARG NE . . . . . . . . . c25813_2n7n 1 . 9 . 1346 . 1 1 7 ARG NH1 N -3.975 2.539 -7.324 . . . 1.0 . . . . . . . . . . . . A . 9 ARG NH1 . . . . . . . . . c25813_2n7n 1 . 9 . 1347 . 1 1 7 ARG NH2 N -5.453 3.575 -5.997 . . . 1.0 . . . . . . . . . . . . A . 9 ARG NH2 . . . . . . . . . c25813_2n7n 1 . 9 . 1348 . 1 1 7 ARG O O -0.223 -0.703 -0.960 . . . 1.0 . . . . . . . . . . . . A . 9 ARG O . . . . . . . . . c25813_2n7n 1 . 9 . 1349 . 1 1 8 TRP C C -1.177 -3.869 -2.329 . . . 1.0 . . . . . . . . . . . . A . 10 TRP C . . . . . . . . . c25813_2n7n 1 . 9 . 1350 . 1 1 8 TRP CA C -1.438 -3.237 -0.927 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CA . . . . . . . . . c25813_2n7n 1 . 9 . 1351 . 1 1 8 TRP CB C -2.315 -4.121 -0.013 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CB . . . . . . . . . c25813_2n7n 1 . 9 . 1352 . 1 1 8 TRP CD1 C -1.964 -6.667 -0.364 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CD1 . . . . . . . . . c25813_2n7n 1 . 9 . 1353 . 1 1 8 TRP CD2 C -0.765 -5.798 1.289 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CD2 . . . . . . . . . c25813_2n7n 1 . 9 . 1354 . 1 1 8 TRP CE2 C -0.466 -7.177 1.165 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CE2 . . . . . . . . . c25813_2n7n 1 . 9 . 1355 . 1 1 8 TRP CE3 C -0.116 -5.003 2.263 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CE3 . . . . . . . . . c25813_2n7n 1 . 9 . 1356 . 1 1 8 TRP CG C -1.703 -5.478 0.331 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CG . . . . . . . . . c25813_2n7n 1 . 9 . 1357 . 1 1 8 TRP CH2 C 1.113 -6.977 2.988 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CH2 . . . . . . . . . c25813_2n7n 1 . 9 . 1358 . 1 1 8 TRP CZ2 C 0.487 -7.773 2.024 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CZ2 . . . . . . . . . c25813_2n7n 1 . 9 . 1359 . 1 1 8 TRP CZ3 C 0.815 -5.613 3.105 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CZ3 . . . . . . . . . c25813_2n7n 1 . 9 . 1360 . 1 1 8 TRP H H -3.093 -1.844 -1.344 . . . 1.0 . . . . . . . . . . . . A . 10 TRP H . . . . . . . . . c25813_2n7n 1 . 9 . 1361 . 1 1 8 TRP HA H -0.477 -3.099 -0.386 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HA . . . . . . . . . c25813_2n7n 1 . 9 . 1362 . 1 1 8 TRP HB2 H -2.513 -3.590 0.931 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HB2 . . . . . . . . . c25813_2n7n 1 . 9 . 1363 . 1 1 8 TRP HB3 H -3.300 -4.273 -0.486 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HB3 . . . . . . . . . c25813_2n7n 1 . 9 . 1364 . 1 1 8 TRP HD1 H -2.645 -6.698 -1.203 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HD1 . . . . . . . . . c25813_2n7n 1 . 9 . 1365 . 1 1 8 TRP HE1 H -1.200 -8.724 -0.173 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HE1 . . . . . . . . . c25813_2n7n 1 . 9 . 1366 . 1 1 8 TRP HE3 H -0.333 -3.948 2.333 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HE3 . . . . . . . . . c25813_2n7n 1 . 9 . 1367 . 1 1 8 TRP HH2 H 1.841 -7.421 3.652 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HH2 . . . . . . . . . c25813_2n7n 1 . 9 . 1368 . 1 1 8 TRP HZ2 H 0.725 -8.823 1.937 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HZ2 . . . . . . . . . c25813_2n7n 1 . 9 . 1369 . 1 1 8 TRP HZ3 H 1.320 -5.020 3.855 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HZ3 . . . . . . . . . c25813_2n7n 1 . 9 . 1370 . 1 1 8 TRP N N -2.115 -1.923 -1.056 . . . 1.0 . . . . . . . . . . . . A . 10 TRP N . . . . . . . . . c25813_2n7n 1 . 9 . 1371 . 1 1 8 TRP NE1 N -1.204 -7.745 0.135 . . . 1.0 . . . . . . . . . . . . A . 10 TRP NE1 . . . . . . . . . c25813_2n7n 1 . 9 . 1372 . 1 1 8 TRP O O -2.080 -4.044 -3.154 . . . 1.0 . . . . . . . . . . . . A . 10 TRP O . . . . . . . . . c25813_2n7n 1 . 9 . 1373 . 1 1 9 LYS C C 1.561 -5.936 -3.571 . . . 1.0 . . . . . . . . . . . . A . 11 LYS C . . . . . . . . . c25813_2n7n 1 . 9 . 1374 . 1 1 9 LYS CA C 0.601 -4.738 -3.842 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CA . . . . . . . . . c25813_2n7n 1 . 9 . 1375 . 1 1 9 LYS CB C 1.280 -3.551 -4.587 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CB . . . . . . . . . c25813_2n7n 1 . 9 . 1376 . 1 1 9 LYS CD C 0.918 -1.336 -5.911 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CD . . . . . . . . . c25813_2n7n 1 . 9 . 1377 . 1 1 9 LYS CE C 0.821 -0.074 -5.031 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CE . . . . . . . . . c25813_2n7n 1 . 9 . 1378 . 1 1 9 LYS CG C 0.289 -2.613 -5.309 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CG . . . . . . . . . c25813_2n7n 1 . 9 . 1379 . 1 1 9 LYS H H 0.727 -3.884 -1.811 . . . 1.0 . . . . . . . . . . . . A . 11 LYS H . . . . . . . . . c25813_2n7n 1 . 9 . 1380 . 1 1 9 LYS HA H -0.225 -5.123 -4.476 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HA . . . . . . . . . c25813_2n7n 1 . 9 . 1381 . 1 1 9 LYS HB2 H 1.916 -2.976 -3.886 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB2 . . . . . . . . . c25813_2n7n 1 . 9 . 1382 . 1 1 9 LYS HB3 H 1.983 -3.946 -5.340 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB3 . . . . . . . . . c25813_2n7n 1 . 9 . 1383 . 1 1 9 LYS HD2 H 1.959 -1.514 -6.243 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD2 . . . . . . . . . c25813_2n7n 1 . 9 . 1384 . 1 1 9 LYS HD3 H 0.375 -1.114 -6.850 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD3 . . . . . . . . . c25813_2n7n 1 . 9 . 1385 . 1 1 9 LYS HE2 H 0.957 0.819 -5.675 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE2 . . . . . . . . . c25813_2n7n 1 . 9 . 1386 . 1 1 9 LYS HE3 H -0.198 0.024 -4.613 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE3 . . . . . . . . . c25813_2n7n 1 . 9 . 1387 . 1 1 9 LYS HG2 H -0.196 -3.198 -6.112 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG2 . . . . . . . . . c25813_2n7n 1 . 9 . 1388 . 1 1 9 LYS HG3 H -0.539 -2.338 -4.627 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG3 . . . . . . . . . c25813_2n7n 1 . 9 . 1389 . 1 1 9 LYS HZ1 H 2.525 -0.762 -3.806 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ1 . . . . . . . . . c25813_2n7n 1 . 9 . 1390 . 1 1 9 LYS N N 0.088 -4.220 -2.549 . . . 1.0 . . . . . . . . . . . . A . 11 LYS N . . . . . . . . . c25813_2n7n 1 . 9 . 1391 . 1 1 9 LYS NZ N 1.820 -0.033 -3.944 . . . 1.0 . . . . . . . . . . . . A . 11 LYS NZ . . . . . . . . . c25813_2n7n 1 . 9 . 1392 . 1 1 9 LYS O O 2.783 -5.820 -3.505 . . . 1.0 . . . . . . . . . . . . A . 11 LYS O . . . . . . . . . c25813_2n7n 1 . 9 . 1393 . 1 1 10 NH2 HN1 H 0.045 -7.214 -3.288 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 HN1 . . . . . . . . . c25813_2n7n 1 . 9 . 1394 . 1 1 10 NH2 HN2 H 1.768 -7.847 -3.163 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 HN2 . . . . . . . . . c25813_2n7n 1 . 9 . 1395 . 1 1 10 NH2 N N 1.060 -7.146 -3.401 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 N . . . . . . . . . c25813_2n7n 1 . 10 . 1396 . 1 1 1 ACE C C 2.972 -3.799 -0.398 . . . 1.0 . . . . . . . . . . . . A . 3 ACE C . . . . . . . . . c25813_2n7n 1 . 10 . 1397 . 1 1 1 ACE CH3 C 3.778 -5.022 -0.789 . . . 1.0 . . . . . . . . . . . . A . 3 ACE CH3 . . . . . . . . . c25813_2n7n 1 . 10 . 1398 . 1 1 1 ACE H1 H 4.864 -4.850 -0.673 . . . 1.0 . . . . . . . . . . . . A . 3 ACE H1 . . . . . . . . . c25813_2n7n 1 . 10 . 1399 . 1 1 1 ACE H2 H 3.493 -5.898 -0.180 . . . 1.0 . . . . . . . . . . . . A . 3 ACE H2 . . . . . . . . . c25813_2n7n 1 . 10 . 1400 . 1 1 1 ACE H3 H 3.597 -5.283 -1.847 . . . 1.0 . . . . . . . . . . . . A . 3 ACE H3 . . . . . . . . . c25813_2n7n 1 . 10 . 1401 . 1 1 1 ACE O O 2.170 -3.298 -1.186 . . . 1.0 . . . . . . . . . . . . A . 3 ACE O . . . . . . . . . c25813_2n7n 1 . 10 . 1402 . 1 1 2 NLE C C 3.226 -0.821 1.068 . . . 1.0 . . . . . . . . . . . . A . 4 NLE C . . . . . . . . . c25813_2n7n 1 . 10 . 1403 . 1 1 2 NLE CA C 2.471 -2.148 1.378 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CA . . . . . . . . . c25813_2n7n 1 . 10 . 1404 . 1 1 2 NLE CB C 2.268 -2.337 2.899 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CB . . . . . . . . . c25813_2n7n 1 . 10 . 1405 . 1 1 2 NLE CD C 1.048 -1.586 5.064 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CD . . . . . . . . . c25813_2n7n 1 . 10 . 1406 . 1 1 2 NLE CE C 2.241 -1.165 5.934 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CE . . . . . . . . . c25813_2n7n 1 . 10 . 1407 . 1 1 2 NLE CG C 1.259 -1.363 3.554 . . . 1.0 . . . . . . . . . . . . A . 4 NLE CG . . . . . . . . . c25813_2n7n 1 . 10 . 1408 . 1 1 2 NLE H H 3.947 -3.800 1.334 . . . 1.0 . . . . . . . . . . . . A . 4 NLE H . . . . . . . . . c25813_2n7n 1 . 10 . 1409 . 1 1 2 NLE HA H 1.456 -2.125 0.929 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HA . . . . . . . . . c25813_2n7n 1 . 10 . 1410 . 1 1 2 NLE HB2 H 3.247 -2.257 3.400 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HB2 . . . . . . . . . c25813_2n7n 1 . 10 . 1411 . 1 1 2 NLE HB3 H 1.912 -3.363 3.087 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HB3 . . . . . . . . . c25813_2n7n 1 . 10 . 1412 . 1 1 2 NLE HD2 H 0.787 -2.644 5.263 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HD2 . . . . . . . . . c25813_2n7n 1 . 10 . 1413 . 1 1 2 NLE HD3 H 0.162 -1.008 5.390 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HD3 . . . . . . . . . c25813_2n7n 1 . 10 . 1414 . 1 1 2 NLE HE1 H 3.146 -1.762 5.718 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HE1 . . . . . . . . . c25813_2n7n 1 . 10 . 1415 . 1 1 2 NLE HE2 H 2.504 -0.101 5.783 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HE2 . . . . . . . . . c25813_2n7n 1 . 10 . 1416 . 1 1 2 NLE HE3 H 2.019 -1.293 7.010 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HE3 . . . . . . . . . c25813_2n7n 1 . 10 . 1417 . 1 1 2 NLE HG2 H 0.283 -1.469 3.044 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HG2 . . . . . . . . . c25813_2n7n 1 . 10 . 1418 . 1 1 2 NLE HG3 H 1.560 -0.311 3.377 . . . 1.0 . . . . . . . . . . . . A . 4 NLE HG3 . . . . . . . . . c25813_2n7n 1 . 10 . 1419 . 1 1 2 NLE N N 3.189 -3.332 0.831 . . . 1.0 . . . . . . . . . . . . A . 4 NLE N . . . . . . . . . c25813_2n7n 1 . 10 . 1420 . 1 1 2 NLE O O 4.411 -0.656 1.380 . . . 1.0 . . . . . . . . . . . . A . 4 NLE O . . . . . . . . . c25813_2n7n 1 . 10 . 1421 . 1 1 3 ASP C C 2.238 2.673 0.315 . . . 1.0 . . . . . . . . . . . . A . 5 ASP C . . . . . . . . . c25813_2n7n 1 . 10 . 1422 . 1 1 3 ASP CA C 3.074 1.392 -0.055 . . . 1.0 . . . . . . . . . . . . A . 5 ASP CA . . . . . . . . . c25813_2n7n 1 . 10 . 1423 . 1 1 3 ASP CB C 3.305 1.231 -1.581 . . . 1.0 . . . . . . . . . . . . A . 5 ASP CB . . . . . . . . . c25813_2n7n 1 . 10 . 1424 . 1 1 3 ASP CG C 2.114 0.970 -2.526 . . . 1.0 . . . . . . . . . . . . A . 5 ASP CG . . . . . . . . . c25813_2n7n 1 . 10 . 1425 . 1 1 3 ASP H H 1.605 -0.240 0.117 . . . 1.0 . . . . . . . . . . . . A . 5 ASP H . . . . . . . . . c25813_2n7n 1 . 10 . 1426 . 1 1 3 ASP HA H 4.084 1.519 0.374 . . . 1.0 . . . . . . . . . . . . A . 5 ASP HA . . . . . . . . . c25813_2n7n 1 . 10 . 1427 . 1 1 3 ASP HB2 H 3.774 2.156 -1.940 . . . 1.0 . . . . . . . . . . . . A . 5 ASP HB2 . . . . . . . . . c25813_2n7n 1 . 10 . 1428 . 1 1 3 ASP HB3 H 4.085 0.458 -1.725 . . . 1.0 . . . . . . . . . . . . A . 5 ASP HB3 . . . . . . . . . c25813_2n7n 1 . 10 . 1429 . 1 1 3 ASP N N 2.502 0.123 0.462 . . . 1.0 . . . . . . . . . . . . A . 5 ASP N . . . . . . . . . c25813_2n7n 1 . 10 . 1430 . 1 1 3 ASP O O 1.007 2.628 0.216 . . . 1.0 . . . . . . . . . . . . A . 5 ASP O . . . . . . . . . c25813_2n7n 1 . 10 . 1431 . 1 1 3 ASP OD1 O 1.278 1.848 -2.741 . . . 1.0 . . . . . . . . . . . . A . 5 ASP OD1 . . . . . . . . . c25813_2n7n 1 . 10 . 1432 . 1 1 4 PRO C C 1.444 5.607 -0.659 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . c25813_2n7n 1 . 10 . 1433 . 1 1 4 PRO CA C 2.111 5.161 0.701 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . c25813_2n7n 1 . 10 . 1434 . 1 1 4 PRO CB C 3.220 6.146 1.131 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . c25813_2n7n 1 . 10 . 1435 . 1 1 4 PRO CD C 4.240 3.970 1.118 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . c25813_2n7n 1 . 10 . 1436 . 1 1 4 PRO CG C 4.249 5.297 1.874 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . c25813_2n7n 1 . 10 . 1437 . 1 1 4 PRO HA H 1.374 5.105 1.521 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . c25813_2n7n 1 . 10 . 1438 . 1 1 4 PRO HB2 H 3.707 6.614 0.252 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB2 . . . . . . . . . c25813_2n7n 1 . 10 . 1439 . 1 1 4 PRO HB3 H 2.829 6.975 1.751 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . c25813_2n7n 1 . 10 . 1440 . 1 1 4 PRO HD2 H 4.921 3.997 0.244 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD2 . . . . . . . . . c25813_2n7n 1 . 10 . 1441 . 1 1 4 PRO HD3 H 4.561 3.145 1.783 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . c25813_2n7n 1 . 10 . 1442 . 1 1 4 PRO HG2 H 5.251 5.763 1.901 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG2 . . . . . . . . . c25813_2n7n 1 . 10 . 1443 . 1 1 4 PRO HG3 H 3.934 5.143 2.926 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . c25813_2n7n 1 . 10 . 1444 . 1 1 4 PRO N N 2.835 3.854 0.676 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . c25813_2n7n 1 . 10 . 1445 . 1 1 4 PRO O O 2.109 5.452 -1.691 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . c25813_2n7n 1 . 10 . 1446 . 1 1 5 PRO C C -1.669 5.424 0.878 . . . 1.0 . . . . . . . . . . . . A . 7 PRO C . . . . . . . . . c25813_2n7n 1 . 10 . 1447 . 1 1 5 PRO CA C -0.662 6.537 0.415 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CA . . . . . . . . . c25813_2n7n 1 . 10 . 1448 . 1 1 5 PRO CB C -1.330 7.816 -0.139 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CB . . . . . . . . . c25813_2n7n 1 . 10 . 1449 . 1 1 5 PRO CD C -0.293 6.734 -2.025 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CD . . . . . . . . . c25813_2n7n 1 . 10 . 1450 . 1 1 5 PRO CG C -1.521 7.554 -1.635 . . . 1.0 . . . . . . . . . . . . A . 7 PRO CG . . . . . . . . . c25813_2n7n 1 . 10 . 1451 . 1 1 5 PRO HA H -0.060 6.840 1.293 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HA . . . . . . . . . c25813_2n7n 1 . 10 . 1452 . 1 1 5 PRO HB2 H -2.277 8.073 0.373 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB2 . . . . . . . . . c25813_2n7n 1 . 10 . 1453 . 1 1 5 PRO HB3 H -0.659 8.686 0.007 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HB3 . . . . . . . . . c25813_2n7n 1 . 10 . 1454 . 1 1 5 PRO HD2 H -0.534 5.939 -2.758 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD2 . . . . . . . . . c25813_2n7n 1 . 10 . 1455 . 1 1 5 PRO HD3 H 0.481 7.379 -2.483 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HD3 . . . . . . . . . c25813_2n7n 1 . 10 . 1456 . 1 1 5 PRO HG2 H -2.440 6.965 -1.807 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG2 . . . . . . . . . c25813_2n7n 1 . 10 . 1457 . 1 1 5 PRO HG3 H -1.616 8.487 -2.224 . . . 1.0 . . . . . . . . . . . . A . 7 PRO HG3 . . . . . . . . . c25813_2n7n 1 . 10 . 1458 . 1 1 5 PRO N N 0.197 6.168 -0.748 . . . 1.0 . . . . . . . . . . . . A . 7 PRO N . . . . . . . . . c25813_2n7n 1 . 10 . 1459 . 1 1 5 PRO O O -2.894 5.535 0.743 . . . 1.0 . . . . . . . . . . . . A . 7 PRO O . . . . . . . . . c25813_2n7n 1 . 10 . 1460 . 1 1 6 . C C -2.549 2.311 0.957 . . . 1.0 . . . . . . . . . . . . A . 8 DPN C . . . . . . . . . c25813_2n7n 1 . 10 . 1461 . 1 1 6 . CA C -1.912 3.232 2.043 . . . 1.0 . . . . . . . . . . . . A . 8 DPN CA . . . . . . . . . c25813_2n7n 1 . 10 . 1462 . 1 1 6 . CB C -0.968 2.490 3.041 . . . 1.0 . . . . . . . . . . . . A . 8 DPN CB . . . . . . . . . c25813_2n7n 1 . 10 . 1463 . 1 1 6 . CD1 C -1.974 1.991 5.323 . . . 1.0 . . . . . . . . . . . . A . 8 DPN CD1 . . . . . . . . . c25813_2n7n 1 . 10 . 1464 . 1 1 6 . CD2 C -2.028 0.252 3.648 . . . 1.0 . . . . . . . . . . . . A . 8 DPN CD2 . . . . . . . . . c25813_2n7n 1 . 10 . 1465 . 1 1 6 . CE1 C -2.610 1.141 6.224 . . . 1.0 . . . . . . . . . . . . A . 8 DPN CE1 . . . . . . . . . c25813_2n7n 1 . 10 . 1466 . 1 1 6 . CE2 C -2.667 -0.596 4.548 . . . 1.0 . . . . . . . . . . . . A . 8 DPN CE2 . . . . . . . . . c25813_2n7n 1 . 10 . 1467 . 1 1 6 . CG C -1.678 1.552 4.028 . . . 1.0 . . . . . . . . . . . . A . 8 DPN CG . . . . . . . . . c25813_2n7n 1 . 10 . 1468 . 1 1 6 . CZ C -2.957 -0.152 5.836 . . . 1.0 . . . . . . . . . . . . A . 8 DPN CZ . . . . . . . . . c25813_2n7n 1 . 10 . 1469 . 1 1 6 . H H -0.149 4.195 1.162 . . . 1.0 . . . . . . . . . . . . A . 8 DPN H . . . . . . . . . c25813_2n7n 1 . 10 . 1470 . 1 1 6 . HA H -2.746 3.666 2.631 . . . 1.0 . . . . . . . . . . . . A . 8 DPN HA . . . . . . . . . c25813_2n7n 1 . 10 . 1471 . 1 1 6 . HB2 H -0.366 3.223 3.604 . . . 1.0 . . . . . . . . . . . . A . 8 DPN HB2 . . . . . . . . . c25813_2n7n 1 . 10 . 1472 . 1 1 6 . HB3 H -0.195 1.920 2.490 . . . 1.0 . . . . . . . . . . . . A . 8 DPN HB3 . . . . . . . . . c25813_2n7n 1 . 10 . 1473 . 1 1 6 . HD1 H -1.712 2.992 5.637 . . . 1.0 . . . . . . . . . . . . A . 8 DPN HD1 . . . . . . . . . c25813_2n7n 1 . 10 . 1474 . 1 1 6 . HD2 H -1.804 -0.107 2.653 . . . 1.0 . . . . . . . . . . . . A . 8 DPN HD2 . . . . . . . . . c25813_2n7n 1 . 10 . 1475 . 1 1 6 . HE1 H -2.830 1.489 7.222 . . . 1.0 . . . . . . . . . . . . A . 8 DPN HE1 . . . . . . . . . c25813_2n7n 1 . 10 . 1476 . 1 1 6 . HE2 H -2.931 -1.597 4.242 . . . 1.0 . . . . . . . . . . . . A . 8 DPN HE2 . . . . . . . . . c25813_2n7n 1 . 10 . 1477 . 1 1 6 . HZ H -3.449 -0.812 6.536 . . . 1.0 . . . . . . . . . . . . A . 8 DPN HZ . . . . . . . . . c25813_2n7n 1 . 10 . 1478 . 1 1 6 . N N -1.123 4.345 1.454 . . . 1.0 . . . . . . . . . . . . A . 8 DPN N . . . . . . . . . c25813_2n7n 1 . 10 . 1479 . 1 1 6 . O O -3.773 2.298 0.803 . . . 1.0 . . . . . . . . . . . . A . 8 DPN O . . . . . . . . . c25813_2n7n 1 . 10 . 1480 . 1 1 7 ARG C C -1.325 -0.722 -0.704 . . . 1.0 . . . . . . . . . . . . A . 9 ARG C . . . . . . . . . c25813_2n7n 1 . 10 . 1481 . 1 1 7 ARG CA C -2.170 0.583 -0.807 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CA . . . . . . . . . c25813_2n7n 1 . 10 . 1482 . 1 1 7 ARG CB C -2.100 1.227 -2.226 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CB . . . . . . . . . c25813_2n7n 1 . 10 . 1483 . 1 1 7 ARG CD C -4.723 1.605 -2.533 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CD . . . . . . . . . c25813_2n7n 1 . 10 . 1484 . 1 1 7 ARG CG C -3.368 1.120 -3.114 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CG . . . . . . . . . c25813_2n7n 1 . 10 . 1485 . 1 1 7 ARG CZ C -4.886 4.114 -2.290 . . . 1.0 . . . . . . . . . . . . A . 9 ARG CZ . . . . . . . . . c25813_2n7n 1 . 10 . 1486 . 1 1 7 ARG H H -0.722 1.797 0.344 . . . 1.0 . . . . . . . . . . . . A . 9 ARG H . . . . . . . . . c25813_2n7n 1 . 10 . 1487 . 1 1 7 ARG HA H -3.221 0.310 -0.578 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HA . . . . . . . . . c25813_2n7n 1 . 10 . 1488 . 1 1 7 ARG HB2 H -1.849 2.300 -2.150 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HB2 . . . . . . . . . c25813_2n7n 1 . 10 . 1489 . 1 1 7 ARG HB3 H -1.236 0.817 -2.786 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HB3 . . . . . . . . . c25813_2n7n 1 . 10 . 1490 . 1 1 7 ARG HD2 H -5.504 1.609 -3.319 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HD2 . . . . . . . . . c25813_2n7n 1 . 10 . 1491 . 1 1 7 ARG HD3 H -5.093 0.843 -1.819 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HD3 . . . . . . . . . c25813_2n7n 1 . 10 . 1492 . 1 1 7 ARG HE H -4.322 2.897 -0.813 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HE . . . . . . . . . c25813_2n7n 1 . 10 . 1493 . 1 1 7 ARG HG2 H -3.164 1.684 -4.044 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HG2 . . . . . . . . . c25813_2n7n 1 . 10 . 1494 . 1 1 7 ARG HG3 H -3.479 0.071 -3.449 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HG3 . . . . . . . . . c25813_2n7n 1 . 10 . 1495 . 1 1 7 ARG HH11 H -5.418 3.479 -4.066 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH11 . . . . . . . . . c25813_2n7n 1 . 10 . 1496 . 1 1 7 ARG HH12 H -5.478 5.290 -3.808 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH12 . . . . . . . . . c25813_2n7n 1 . 10 . 1497 . 1 1 7 ARG HH21 H -4.274 4.973 -0.590 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH21 . . . . . . . . . c25813_2n7n 1 . 10 . 1498 . 1 1 7 ARG HH22 H -4.908 6.063 -1.902 . . . 1.0 . . . . . . . . . . . . A . 9 ARG HH22 . . . . . . . . . c25813_2n7n 1 . 10 . 1499 . 1 1 7 ARG N N -1.719 1.566 0.208 . . . 1.0 . . . . . . . . . . . . A . 9 ARG N . . . . . . . . . c25813_2n7n 1 . 10 . 1500 . 1 1 7 ARG NE N -4.638 2.904 -1.801 . . . 1.0 . . . . . . . . . . . . A . 9 ARG NE . . . . . . . . . c25813_2n7n 1 . 10 . 1501 . 1 1 7 ARG NH1 N -5.309 4.329 -3.510 . . . 1.0 . . . . . . . . . . . . A . 9 ARG NH1 . . . . . . . . . c25813_2n7n 1 . 10 . 1502 . 1 1 7 ARG NH2 N -4.699 5.143 -1.515 . . . 1.0 . . . . . . . . . . . . A . 9 ARG NH2 . . . . . . . . . c25813_2n7n 1 . 10 . 1503 . 1 1 7 ARG O O -0.126 -0.710 -0.405 . . . 1.0 . . . . . . . . . . . . A . 9 ARG O . . . . . . . . . c25813_2n7n 1 . 10 . 1504 . 1 1 8 TRP C C -1.225 -3.730 -2.445 . . . 1.0 . . . . . . . . . . . . A . 10 TRP C . . . . . . . . . c25813_2n7n 1 . 10 . 1505 . 1 1 8 TRP CA C -1.334 -3.189 -0.988 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CA . . . . . . . . . c25813_2n7n 1 . 10 . 1506 . 1 1 8 TRP CB C -2.154 -4.117 -0.060 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CB . . . . . . . . . c25813_2n7n 1 . 10 . 1507 . 1 1 8 TRP CD1 C -2.175 -6.614 -0.769 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CD1 . . . . . . . . . c25813_2n7n 1 . 10 . 1508 . 1 1 8 TRP CD2 C -0.594 -6.101 0.706 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CD2 . . . . . . . . . c25813_2n7n 1 . 10 . 1509 . 1 1 8 TRP CE2 C -0.466 -7.461 0.328 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CE2 . . . . . . . . . c25813_2n7n 1 . 10 . 1510 . 1 1 8 TRP CE3 C 0.317 -5.517 1.617 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CE3 . . . . . . . . . c25813_2n7n 1 . 10 . 1511 . 1 1 8 TRP CG C -1.662 -5.567 0.016 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CG . . . . . . . . . c25813_2n7n 1 . 10 . 1512 . 1 1 8 TRP CH2 C 1.474 -7.656 1.760 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CH2 . . . . . . . . . c25813_2n7n 1 . 10 . 1513 . 1 1 8 TRP CZ2 C 0.583 -8.247 0.860 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CZ2 . . . . . . . . . c25813_2n7n 1 . 10 . 1514 . 1 1 8 TRP CZ3 C 1.341 -6.312 2.134 . . . 1.0 . . . . . . . . . . . . A . 10 TRP CZ3 . . . . . . . . . c25813_2n7n 1 . 10 . 1515 . 1 1 8 TRP H H -2.903 -1.704 -1.395 . . . 1.0 . . . . . . . . . . . . A . 10 TRP H . . . . . . . . . c25813_2n7n 1 . 10 . 1516 . 1 1 8 TRP HA H -0.322 -3.126 -0.536 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HA . . . . . . . . . c25813_2n7n 1 . 10 . 1517 . 1 1 8 TRP HB2 H -2.157 -3.695 0.957 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HB2 . . . . . . . . . c25813_2n7n 1 . 10 . 1518 . 1 1 8 TRP HB3 H -3.207 -4.118 -0.389 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HB3 . . . . . . . . . c25813_2n7n 1 . 10 . 1519 . 1 1 8 TRP HD1 H -2.988 -6.466 -1.463 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HD1 . . . . . . . . . c25813_2n7n 1 . 10 . 1520 . 1 1 8 TRP HE1 H -1.615 -8.729 -1.010 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HE1 . . . . . . . . . c25813_2n7n 1 . 10 . 1521 . 1 1 8 TRP HE3 H 0.219 -4.477 1.895 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HE3 . . . . . . . . . c25813_2n7n 1 . 10 . 1522 . 1 1 8 TRP HH2 H 2.279 -8.246 2.175 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HH2 . . . . . . . . . c25813_2n7n 1 . 10 . 1523 . 1 1 8 TRP HZ2 H 0.695 -9.282 0.572 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HZ2 . . . . . . . . . c25813_2n7n 1 . 10 . 1524 . 1 1 8 TRP HZ3 H 2.047 -5.884 2.831 . . . 1.0 . . . . . . . . . . . . A . 10 TRP HZ3 . . . . . . . . . c25813_2n7n 1 . 10 . 1525 . 1 1 8 TRP N N -1.980 -1.854 -0.981 . . . 1.0 . . . . . . . . . . . . A . 10 TRP N . . . . . . . . . c25813_2n7n 1 . 10 . 1526 . 1 1 8 TRP NE1 N -1.443 -7.807 -0.594 . . . 1.0 . . . . . . . . . . . . A . 10 TRP NE1 . . . . . . . . . c25813_2n7n 1 . 10 . 1527 . 1 1 8 TRP O O -2.203 -3.798 -3.198 . . . 1.0 . . . . . . . . . . . . A . 10 TRP O . . . . . . . . . c25813_2n7n 1 . 10 . 1528 . 1 1 9 LYS C C 1.307 -6.017 -3.895 . . . 1.0 . . . . . . . . . . . . A . 11 LYS C . . . . . . . . . c25813_2n7n 1 . 10 . 1529 . 1 1 9 LYS CA C 0.292 -4.840 -4.074 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CA . . . . . . . . . c25813_2n7n 1 . 10 . 1530 . 1 1 9 LYS CB C 0.684 -3.732 -5.087 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CB . . . . . . . . . c25813_2n7n 1 . 10 . 1531 . 1 1 9 LYS CD C 1.923 -1.464 -5.277 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CD . . . . . . . . . c25813_2n7n 1 . 10 . 1532 . 1 1 9 LYS CE C 1.210 -0.530 -4.272 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CE . . . . . . . . . c25813_2n7n 1 . 10 . 1533 . 1 1 9 LYS CG C 2.001 -2.949 -4.851 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CG . . . . . . . . . c25813_2n7n 1 . 10 . 1534 . 1 1 9 LYS H H 0.722 -3.856 -2.145 . . . 1.0 . . . . . . . . . . . . A . 11 LYS H . . . . . . . . . c25813_2n7n 1 . 10 . 1535 . 1 1 9 LYS HA H -0.628 -5.306 -4.480 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HA . . . . . . . . . c25813_2n7n 1 . 10 . 1536 . 1 1 9 LYS HB2 H 0.736 -4.189 -6.084 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB2 . . . . . . . . . c25813_2n7n 1 . 10 . 1537 . 1 1 9 LYS HB3 H -0.166 -3.027 -5.147 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB3 . . . . . . . . . c25813_2n7n 1 . 10 . 1538 . 1 1 9 LYS HD2 H 2.944 -1.085 -5.476 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD2 . . . . . . . . . c25813_2n7n 1 . 10 . 1539 . 1 1 9 LYS HD3 H 1.417 -1.397 -6.259 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD3 . . . . . . . . . c25813_2n7n 1 . 10 . 1540 . 1 1 9 LYS HE2 H 0.904 0.395 -4.802 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE2 . . . . . . . . . c25813_2n7n 1 . 10 . 1541 . 1 1 9 LYS HE3 H 0.270 -0.984 -3.900 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE3 . . . . . . . . . c25813_2n7n 1 . 10 . 1542 . 1 1 9 LYS HG2 H 2.312 -3.018 -3.792 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG2 . . . . . . . . . c25813_2n7n 1 . 10 . 1543 . 1 1 9 LYS HG3 H 2.809 -3.458 -5.409 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG3 . . . . . . . . . c25813_2n7n 1 . 10 . 1544 . 1 1 9 LYS HZ1 H 2.816 -0.874 -2.803 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ1 . . . . . . . . . c25813_2n7n 1 . 10 . 1545 . 1 1 9 LYS N N -0.017 -4.185 -2.780 . . . 1.0 . . . . . . . . . . . . A . 11 LYS N . . . . . . . . . c25813_2n7n 1 . 10 . 1546 . 1 1 9 LYS NZ N 2.105 -0.217 -3.136 . . . 1.0 . . . . . . . . . . . . A . 11 LYS NZ . . . . . . . . . c25813_2n7n 1 . 10 . 1547 . 1 1 9 LYS O O 2.466 -5.981 -4.299 . . . 1.0 . . . . . . . . . . . . A . 11 LYS O . . . . . . . . . c25813_2n7n 1 . 10 . 1548 . 1 1 10 NH2 HN1 H 0.033 -7.082 -2.775 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 HN1 . . . . . . . . . c25813_2n7n 1 . 10 . 1549 . 1 1 10 NH2 HN2 H 1.679 -7.801 -3.169 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 HN2 . . . . . . . . . c25813_2n7n 1 . 10 . 1550 . 1 1 10 NH2 N N 0.920 -7.125 -3.290 . . . 1.0 . . . . . . . . . . . . A . 12 NH2 N . . . . . . . . . c25813_2n7n 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 c25813_2n7n _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 2n7n.mr . . 'MR format' 1 comment 'Not applicable' 'Not applicable' 0 c25813_2n7n 1 1 2n7n.mr . . DYANA/DIANA 2 distance NOE simple 99 c25813_2n7n 1 1 2n7n.mr . . 'MR format' 3 'nomenclature mapping' 'Not applicable' 'Not applicable' 0 c25813_2n7n 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 c25813_2n7n _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 . . . . c25813_2n7n 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 . . . . . . . 2.62 . . . . . A . 5 ASP H . . A . 4 NLE HA . . . 5 ASP HN . . . . . 4 NLE HA . . c25813_2n7n 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 . . c25813_2n7n 1 3 1 . . 1 1 2 2 NLE HA H . . . 1 1 8 8 TRP HE3 H . . . . . . . 4.38 . . . . . A . 4 NLE HA . . A . 10 TRP HE3 . . . 4 NLE HA . . . . . 10 TRP HE3 . . c25813_2n7n 1 4 1 . . 1 1 9 9 LYS H H . . . 1 1 2 2 NLE HA H . . . . . . . 3.45 . . . . . A . 11 LYS H . . A . 4 NLE HA . . . 11 LYS HN . . . . . 4 NLE HA . . c25813_2n7n 1 5 1 . . 1 1 2 2 NLE HB2 H . . . 1 1 3 3 ASP H H . . . . . . . 3.73 . . . . . A . 4 NLE HB2 . . A . 5 ASP H . . . 4 NLE HB2 . . . . . 5 ASP HN . . c25813_2n7n 1 6 1 . . 1 1 2 2 NLE HB3 H . . . 1 1 3 3 ASP H H . . . . . . . 3.73 . . . . . A . 4 NLE HB3 . . A . 5 ASP H . . . 4 NLE HB3 . . . . . 5 ASP HN . . c25813_2n7n 1 7 1 . . 1 1 3 3 ASP H H . . . 1 1 3 3 ASP HB2 H . . . . . . . 3.39 . . . . . A . 5 ASP H . . A . 5 ASP HB2 . . . 5 ASP HN . . . . . 5 ASP HB2 . . c25813_2n7n 1 8 1 . . 1 1 3 3 ASP H H . . . 1 1 3 3 ASP HB3 H . . . . . . . 3.39 . . . . . A . 5 ASP H . . A . 5 ASP HB3 . . . 5 ASP HN . . . . . 5 ASP HB3 . . c25813_2n7n 1 9 1 OR . 1 1 3 3 ASP H H . . . 1 1 3 3 ASP HB3 H . . . . . . . 2.89 . . . . . A . 5 ASP H . . A . 5 ASP HB3 . . . 5 ASP HN . . . . . 5 ASP QB . . c25813_2n7n 1 9 2 OR . 1 1 3 3 ASP H H . . . 1 1 3 3 ASP HB2 H . . . . . . . 2.89 . . . . . A . 5 ASP H . . A . 5 ASP HB2 . . . 5 ASP HN . . . . . 5 ASP QB . . c25813_2n7n 1 10 1 . . 1 1 9 9 LYS H H . . . 1 1 3 3 ASP H H . . . . . . . 4.23 . . . . . A . 11 LYS H . . A . 5 ASP H . . . 11 LYS HN . . . . . 5 ASP HN . . c25813_2n7n 1 11 1 . . 1 1 3 3 ASP H H . . . 1 1 9 9 LYS QZ H . . . . . . . 4.97 . . . . . A . 5 ASP H . . A . 11 LYS QZ . . . 5 ASP HN . . . . . 11 LYS HZ1 . . c25813_2n7n 1 12 1 . . 1 1 3 3 ASP HA H . . . 1 1 4 4 PRO HD2 H . . . . . . . 3.39 . . . . . A . 5 ASP HA . . A . 6 PRO HD2 . . . 5 ASP HA . . . . . 6 PRO HD2 . . c25813_2n7n 1 13 1 . . 1 1 3 3 ASP HA H . . . 1 1 4 4 PRO HD3 H . . . . . . . 3.39 . . . . . A . 5 ASP HA . . A . 6 PRO HD3 . . . 5 ASP HA . . . . . 6 PRO HD3 . . c25813_2n7n 1 14 1 OR . 1 1 3 3 ASP HA H . . . 1 1 4 4 PRO HD3 H . . . . . . . 2.93 . . . . . A . 5 ASP HA . . A . 6 PRO HD3 . . . 5 ASP HA . . . . . 6 PRO QD . . c25813_2n7n 1 14 2 OR . 1 1 3 3 ASP HA H . . . 1 1 4 4 PRO HD2 H . . . . . . . 2.93 . . . . . A . 5 ASP HA . . A . 6 PRO HD2 . . . 5 ASP HA . . . . . 6 PRO QD . . c25813_2n7n 1 15 1 . . 1 1 9 9 LYS QZ H . . . 1 1 3 3 ASP HA H . . . . . . . 5.13 . . . . . A . 11 LYS QZ . . A . 5 ASP HA . . . 11 LYS HZ1 . . . . . 5 ASP HA . . c25813_2n7n 1 16 1 . . 1 1 3 3 ASP HB2 H . . . 1 1 9 9 LYS QZ H . . . . . . . 3.70 . . . . . A . 5 ASP HB2 . . A . 11 LYS QZ . . . 5 ASP HB2 . . . . . 11 LYS HZ1 . . c25813_2n7n 1 17 1 . . 1 1 9 9 LYS QZ H . . . 1 1 3 3 ASP HB3 H . . . . . . . 3.70 . . . . . A . 11 LYS QZ . . A . 5 ASP HB3 . . . 11 LYS HZ1 . . . . . 5 ASP HB3 . . c25813_2n7n 1 18 1 OR . 1 1 3 3 ASP HB3 H . . . 1 1 4 4 PRO HD3 H . . . . . . . 3.79 . . . . . A . 5 ASP HB3 . . A . 6 PRO HD3 . . . 5 ASP QB . . . . . 6 PRO QD . . c25813_2n7n 1 18 2 OR . 1 1 3 3 ASP HB2 H . . . 1 1 4 4 PRO HD3 H . . . . . . . 3.79 . . . . . A . 5 ASP HB2 . . A . 6 PRO HD3 . . . 5 ASP QB . . . . . 6 PRO QD . . c25813_2n7n 1 18 3 OR . 1 1 4 4 PRO HD2 H . . . 1 1 3 3 ASP HB3 H . . . . . . . 3.79 . . . . . A . 6 PRO HD2 . . A . 5 ASP HB3 . . . 6 PRO QD . . . . . 5 ASP QB . . c25813_2n7n 1 18 4 OR . 1 1 3 3 ASP HB2 H . . . 1 1 4 4 PRO HD2 H . . . . . . . 3.79 . . . . . A . 5 ASP HB2 . . A . 6 PRO HD2 . . . 5 ASP QB . . . . . 6 PRO QD . . c25813_2n7n 1 19 1 OR . 1 1 9 9 LYS QZ H . . . 1 1 3 3 ASP HB3 H . . . . . . . 3.00 . . . . . A . 11 LYS QZ . . A . 5 ASP HB3 . . . 11 LYS HZ1 . . . . . 5 ASP QB . . c25813_2n7n 1 19 2 OR . 1 1 3 3 ASP HB2 H . . . 1 1 9 9 LYS QZ H . . . . . . . 3.00 . . . . . A . 5 ASP HB2 . . A . 11 LYS QZ . . . 5 ASP QB . . . . . 11 LYS HZ1 . . c25813_2n7n 1 20 1 . . 1 1 4 4 PRO HA H . . . 1 1 5 5 PRO HA H . . . . . . . 2.49 . . . . . A . 6 PRO HA . . A . 7 PRO HA . . . 6 PRO HA . . . . . 7 PRO HA . . c25813_2n7n 1 21 1 . . 1 1 4 4 PRO HA H . . . 1 1 7 7 ARG H H . . . . . . . 4.17 . . . . . A . 6 PRO HA . . A . 9 ARG H . . . 6 PRO HA . . . . . 9 ARG HN . . c25813_2n7n 1 22 1 . . 1 1 7 7 ARG H H . . . 1 1 7 7 ARG HB2 H . . . . . . . 3.58 . . . . . A . 9 ARG H . . A . 9 ARG HB2 . . . 9 ARG HN . . . . . 9 ARG HB2 . . c25813_2n7n 1 23 1 . . 1 1 7 7 ARG H H . . . 1 1 7 7 ARG HB3 H . . . . . . . 3.58 . . . . . A . 9 ARG H . . A . 9 ARG HB3 . . . 9 ARG HN . . . . . 9 ARG HB3 . . c25813_2n7n 1 24 1 OR . 1 1 7 7 ARG H H . . . 1 1 7 7 ARG HB3 H . . . . . . . 3.01 . . . . . A . 9 ARG H . . A . 9 ARG HB3 . . . 9 ARG HN . . . . . 9 ARG QB . . c25813_2n7n 1 24 2 OR . 1 1 7 7 ARG H H . . . 1 1 7 7 ARG HB2 H . . . . . . . 3.01 . . . . . A . 9 ARG H . . A . 9 ARG HB2 . . . 9 ARG HN . . . . . 9 ARG QB . . c25813_2n7n 1 25 1 . . 1 1 7 7 ARG H H . . . 1 1 7 7 ARG HG2 H . . . . . . . 4.88 . . . . . A . 9 ARG H . . A . 9 ARG HG2 . . . 9 ARG HN . . . . . 9 ARG HG2 . . c25813_2n7n 1 26 1 . . 1 1 7 7 ARG H H . . . 1 1 7 7 ARG HG3 H . . . . . . . 4.88 . . . . . A . 9 ARG H . . A . 9 ARG HG3 . . . 9 ARG HN . . . . . 9 ARG HG3 . . c25813_2n7n 1 27 1 . . 1 1 7 7 ARG H H . . . 1 1 8 8 TRP H H . . . . . . . 4.32 . . . . . A . 9 ARG H . . A . 10 TRP H . . . 9 ARG HN . . . . . 10 TRP HN . . c25813_2n7n 1 28 1 . . 1 1 8 8 TRP H H . . . 1 1 7 7 ARG HA H . . . . . . . 2.62 . . . . . A . 10 TRP H . . A . 9 ARG HA . . . 10 TRP HN . . . . . 9 ARG HA . . c25813_2n7n 1 29 1 . . 1 1 7 7 ARG HB2 H . . . 1 1 8 8 TRP H H . . . . . . . 3.95 . . . . . A . 9 ARG HB2 . . A . 10 TRP H . . . 9 ARG HB2 . . . . . 10 TRP HN . . c25813_2n7n 1 30 1 . . 1 1 8 8 TRP H H . . . 1 1 7 7 ARG HB3 H . . . . . . . 3.95 . . . . . A . 10 TRP H . . A . 9 ARG HB3 . . . 10 TRP HN . . . . . 9 ARG HB3 . . c25813_2n7n 1 31 1 OR . 1 1 8 8 TRP H H . . . 1 1 7 7 ARG HB3 H . . . . . . . 3.23 . . . . . A . 10 TRP H . . A . 9 ARG HB3 . . . 10 TRP HN . . . . . 9 ARG QB . . c25813_2n7n 1 31 2 OR . 1 1 7 7 ARG HB2 H . . . 1 1 8 8 TRP H H . . . . . . . 3.23 . . . . . A . 9 ARG HB2 . . A . 10 TRP H . . . 9 ARG QB . . . . . 10 TRP HN . . c25813_2n7n 1 32 1 . . 1 1 8 8 TRP H H . . . 1 1 8 8 TRP HB2 H . . . . . . . 3.08 . . . . . A . 10 TRP H . . A . 10 TRP HB2 . . . 10 TRP HN . . . . . 10 TRP HB2 . . c25813_2n7n 1 33 1 . . 1 1 8 8 TRP H H . . . 1 1 8 8 TRP HB3 H . . . . . . . 3.08 . . . . . A . 10 TRP H . . A . 10 TRP HB3 . . . 10 TRP HN . . . . . 10 TRP HB3 . . c25813_2n7n 1 34 1 . . 1 1 8 8 TRP H H . . . 1 1 8 8 TRP HD1 H . . . . . . . 4.32 . . . . . A . 10 TRP H . . A . 10 TRP HD1 . . . 10 TRP HN . . . . . 10 TRP HD1 . . c25813_2n7n 1 35 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 . . c25813_2n7n 1 36 1 . . 1 1 9 9 LYS H H . . . 1 1 8 8 TRP H H . . . . . . . 4.35 . . . . . A . 11 LYS H . . A . 10 TRP H . . . 11 LYS HN . . . . . 10 TRP HN . . c25813_2n7n 1 37 1 . . 1 1 8 8 TRP HA H . . . 1 1 8 8 TRP HD1 H . . . . . . . 4.85 . . . . . A . 10 TRP HA . . A . 10 TRP HD1 . . . 10 TRP HA . . . . . 10 TRP HD1 . . c25813_2n7n 1 38 1 . . 1 1 8 8 TRP HA H . . . 1 1 8 8 TRP HE3 H . . . . . . . 2.93 . . . . . A . 10 TRP HA . . A . 10 TRP HE3 . . . 10 TRP HA . . . . . 10 TRP HE3 . . c25813_2n7n 1 39 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 . . c25813_2n7n 1 40 1 . . 1 1 8 8 TRP HD1 H . . . 1 1 8 8 TRP HB2 H . . . . . . . 3.52 . . . . . A . 10 TRP HD1 . . A . 10 TRP HB2 . . . 10 TRP HD1 . . . . . 10 TRP HB2 . . c25813_2n7n 1 41 1 . . 1 1 8 8 TRP HE3 H . . . 1 1 8 8 TRP HB2 H . . . . . . . 4.01 . . . . . A . 10 TRP HE3 . . A . 10 TRP HB2 . . . 10 TRP HE3 . . . . . 10 TRP HB2 . . c25813_2n7n 1 42 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 . . c25813_2n7n 1 43 1 . . 1 1 8 8 TRP HD1 H . . . 1 1 8 8 TRP HB3 H . . . . . . . 3.52 . . . . . A . 10 TRP HD1 . . A . 10 TRP HB3 . . . 10 TRP HD1 . . . . . 10 TRP HB3 . . c25813_2n7n 1 44 1 . . 1 1 8 8 TRP HE3 H . . . 1 1 8 8 TRP HB3 H . . . . . . . 4.01 . . . . . A . 10 TRP HE3 . . A . 10 TRP HB3 . . . 10 TRP HE3 . . . . . 10 TRP HB3 . . c25813_2n7n 1 45 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 . . c25813_2n7n 1 46 1 OR . 1 1 8 8 TRP HE3 H . . . 1 1 8 8 TRP HB3 H . . . . . . . 3.46 . . . . . A . 10 TRP HE3 . . A . 10 TRP HB3 . . . 10 TRP HE3 . . . . . 10 TRP QB . . c25813_2n7n 1 46 2 OR . 1 1 8 8 TRP HE3 H . . . 1 1 8 8 TRP HB2 H . . . . . . . 3.46 . . . . . A . 10 TRP HE3 . . A . 10 TRP HB2 . . . 10 TRP HE3 . . . . . 10 TRP QB . . c25813_2n7n 1 47 1 OR . 1 1 9 9 LYS H H . . . 1 1 8 8 TRP HB3 H . . . . . . . 3.54 . . . . . A . 11 LYS H . . A . 10 TRP HB3 . . . 11 LYS HN . . . . . 10 TRP QB . . c25813_2n7n 1 47 2 OR . 1 1 9 9 LYS H H . . . 1 1 8 8 TRP HB2 H . . . . . . . 3.54 . . . . . A . 11 LYS H . . A . 10 TRP HB2 . . . 11 LYS HN . . . . . 10 TRP QB . . c25813_2n7n 1 48 1 . . 1 1 9 9 LYS H H . . . 1 1 8 8 TRP HD1 H . . . . . . . 5.50 . . . . . A . 11 LYS H . . A . 10 TRP HD1 . . . 11 LYS HN . . . . . 10 TRP HD1 . . c25813_2n7n 1 49 1 . . 1 1 9 9 LYS H H . . . 1 1 8 8 TRP HE3 H . . . . . . . 4.11 . . . . . A . 11 LYS H . . A . 10 TRP HE3 . . . 11 LYS HN . . . . . 10 TRP HE3 . . c25813_2n7n 1 50 1 . . 1 1 9 9 LYS H H . . . 1 1 9 9 LYS HB2 H . . . . . . . 3.52 . . . . . A . 11 LYS H . . A . 11 LYS HB2 . . . 11 LYS HN . . . . . 11 LYS HB2 . . c25813_2n7n 1 51 1 . . 1 1 9 9 LYS H H . . . 1 1 9 9 LYS HB3 H . . . . . . . 3.52 . . . . . A . 11 LYS H . . A . 11 LYS HB3 . . . 11 LYS HN . . . . . 11 LYS HB3 . . c25813_2n7n 1 52 1 OR . 1 1 9 9 LYS H H . . . 1 1 9 9 LYS HB3 H . . . . . . . 2.99 . . . . . A . 11 LYS H . . A . 11 LYS HB3 . . . 11 LYS HN . . . . . 11 LYS QB . . c25813_2n7n 1 52 2 OR . 1 1 9 9 LYS H H . . . 1 1 9 9 LYS HB2 H . . . . . . . 2.99 . . . . . A . 11 LYS H . . A . 11 LYS HB2 . . . 11 LYS HN . . . . . 11 LYS QB . . c25813_2n7n 1 53 1 . . 1 1 9 9 LYS H H . . . 1 1 9 9 LYS HG2 H . . . . . . . 4.32 . . . . . A . 11 LYS H . . A . 11 LYS HG2 . . . 11 LYS HN . . . . . 11 LYS HG2 . . c25813_2n7n 1 54 1 . . 1 1 9 9 LYS H H . . . 1 1 9 9 LYS HG3 H . . . . . . . 4.32 . . . . . A . 11 LYS H . . A . 11 LYS HG3 . . . 11 LYS HN . . . . . 11 LYS HG3 . . c25813_2n7n 1 55 1 OR . 1 1 9 9 LYS H H . . . 1 1 9 9 LYS HG2 H . . . . . . . 3.73 . . . . . A . 11 LYS H . . A . 11 LYS HG2 . . . 11 LYS HN . . . . . 11 LYS QG . . c25813_2n7n 1 55 2 OR . 1 1 9 9 LYS H H . . . 1 1 9 9 LYS HG3 H . . . . . . . 3.73 . . . . . A . 11 LYS H . . A . 11 LYS HG3 . . . 11 LYS HN . . . . . 11 LYS QG . . c25813_2n7n 1 56 1 OR . 1 1 9 9 LYS H H . . . 1 1 9 9 LYS HD2 H . . . . . . . 6.00 . . . . . A . 11 LYS H . . A . 11 LYS HD2 . . . 11 LYS HN . . . . . 11 LYS QD . . c25813_2n7n 1 56 2 OR . 1 1 9 9 LYS H H . . . 1 1 9 9 LYS HD3 H . . . . . . . 6.00 . . . . . A . 11 LYS H . . A . 11 LYS HD3 . . . 11 LYS HN . . . . . 11 LYS QD . . c25813_2n7n 1 57 1 OR . 1 1 9 9 LYS HA H . . . 1 1 9 9 LYS HG2 H . . . . . . . 3.66 . . . . . A . 11 LYS HA . . A . 11 LYS HG2 . . . 11 LYS HA . . . . . 11 LYS QG . . c25813_2n7n 1 57 2 OR . 1 1 9 9 LYS HG3 H . . . 1 1 9 9 LYS HA H . . . . . . . 3.66 . . . . . A . 11 LYS HG3 . . A . 11 LYS HA . . . 11 LYS QG . . . . . 11 LYS HA . . c25813_2n7n 1 58 1 OR . 1 1 9 9 LYS HA H . . . 1 1 9 9 LYS HD2 H . . . . . . . 5.07 . . . . . A . 11 LYS HA . . A . 11 LYS HD2 . . . 11 LYS HA . . . . . 11 LYS QD . . c25813_2n7n 1 58 2 OR . 1 1 9 9 LYS HD3 H . . . 1 1 9 9 LYS HA H . . . . . . . 5.07 . . . . . A . 11 LYS HD3 . . A . 11 LYS HA . . . 11 LYS QD . . . . . 11 LYS HA . . c25813_2n7n 1 59 1 OR . 1 1 9 9 LYS HB3 H . . . 1 1 9 9 LYS HG2 H . . . . . . . 2.29 . . . . . A . 11 LYS HB3 . . A . 11 LYS HG2 . . . 11 LYS QB . . . . . 11 LYS QG . . c25813_2n7n 1 59 2 OR . 1 1 9 9 LYS HB2 H . . . 1 1 9 9 LYS HG2 H . . . . . . . 2.29 . . . . . A . 11 LYS HB2 . . A . 11 LYS HG2 . . . 11 LYS QB . . . . . 11 LYS QG . . c25813_2n7n 1 59 3 OR . 1 1 9 9 LYS HG3 H . . . 1 1 9 9 LYS HB3 H . . . . . . . 2.29 . . . . . A . 11 LYS HG3 . . A . 11 LYS HB3 . . . 11 LYS QG . . . . . 11 LYS QB . . c25813_2n7n 1 59 4 OR . 1 1 9 9 LYS HB2 H . . . 1 1 9 9 LYS HG3 H . . . . . . . 2.29 . . . . . A . 11 LYS HB2 . . A . 11 LYS HG3 . . . 11 LYS QB . . . . . 11 LYS QG . . c25813_2n7n 1 60 1 . . 1 1 9 9 LYS QZ H . . . 1 1 9 9 LYS HG2 H . . . . . . . 4.66 . . . . . A . 11 LYS QZ . . A . 11 LYS HG2 . . . 11 LYS HZ1 . . . . . 11 LYS HG2 . . c25813_2n7n 1 61 1 . . 1 1 9 9 LYS QZ H . . . 1 1 9 9 LYS HG3 H . . . . . . . 4.66 . . . . . A . 11 LYS QZ . . A . 11 LYS HG3 . . . 11 LYS HZ1 . . . . . 11 LYS HG3 . . c25813_2n7n 1 62 1 OR . 1 1 9 9 LYS QZ H . . . 1 1 9 9 LYS HG2 H . . . . . . . 4.08 . . . . . A . 11 LYS QZ . . A . 11 LYS HG2 . . . 11 LYS HZ1 . . . . . 11 LYS QG . . c25813_2n7n 1 62 2 OR . 1 1 9 9 LYS QZ H . . . 1 1 9 9 LYS HG3 H . . . . . . . 4.08 . . . . . A . 11 LYS QZ . . A . 11 LYS HG3 . . . 11 LYS HZ1 . . . . . 11 LYS QG . . c25813_2n7n 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" c25813_2n7n 1 2 2 2 1 "Not handling restraint 2, item 1, resonance(s) ' .4.HN' (nmrStar names) not linked" c25813_2n7n 1 3 2 3 1 "Not handling restraint 3, item 1, resonance(s) ' .4.HN' (nmrStar names) not linked" c25813_2n7n 1 4 2 4 1 "Not handling restraint 4, item 1, resonance(s) ' .4.HN' (nmrStar names),' .4.QB' (nmrStar names) not linked" c25813_2n7n 1 5 2 5 1 "Not handling restraint 5, item 1, resonance(s) ' .4.HN' (nmrStar names),' .4.QD' (nmrStar names) not linked" c25813_2n7n 1 6 2 6 1 "Not handling restraint 6, item 1, resonance(s) ' .4.HN' (nmrStar names) not linked" c25813_2n7n 1 7 2 11 1 "Not handling restraint 11, item 1, resonance(s) ' .4.QE' (nmrStar names) not linked" c25813_2n7n 1 8 2 13 1 "Not handling restraint 13, item 1, resonance(s) ' .4.QE' (nmrStar names) not linked" c25813_2n7n 1 9 2 15 1 "Not handling restraint 15, item 1, resonance(s) ' .4.QB' (nmrStar names),' .4.QE' (nmrStar names) not linked" c25813_2n7n 1 10 2 16 1 "Not handling restraint 16, item 1, resonance(s) ' .4.QG' (nmrStar names),' .8.QE' (nmrStar names) not linked" c25813_2n7n 1 11 2 17 1 "Not handling restraint 17, item 1, resonance(s) ' .4.QD' (nmrStar names) not linked" c25813_2n7n 1 12 2 18 1 "Not handling restraint 18, item 1, resonance(s) ' .4.QD' (nmrStar names),' .8.QE' (nmrStar names) not linked" c25813_2n7n 1 13 2 19 1 "Not handling restraint 19, item 1, resonance(s) ' .4.QD' (nmrStar names) not linked" c25813_2n7n 1 14 2 20 1 "Not handling restraint 20, item 1, resonance(s) ' .4.QE' (nmrStar names),' .8.QE' (nmrStar names) not linked" c25813_2n7n 1 15 2 21 1 "Not handling restraint 21, item 1, resonance(s) ' .4.QE' (nmrStar names) not linked" c25813_2n7n 1 16 2 36 1 "Not handling restraint 36, item 1, resonance(s) ' .8.HN' (nmrStar names) not linked" c25813_2n7n 1 17 2 37 1 "Not handling restraint 37, item 1, resonance(s) ' .8.QD' (nmrStar names) not linked" c25813_2n7n 1 18 2 38 1 "Not handling restraint 38, item 1, resonance(s) ' .8.QE' (nmrStar names) not linked" c25813_2n7n 1 19 2 40 1 "Not handling restraint 40, item 1, resonance(s) ' .8.HN' (nmrStar names) not linked" c25813_2n7n 1 20 2 41 1 "Not handling restraint 41, item 1, resonance(s) ' .8.HN' (nmrStar names) not linked" c25813_2n7n 1 21 2 42 1 "Not handling restraint 42, item 1, resonance(s) ' .8.HN' (nmrStar names) not linked" c25813_2n7n 1 22 2 43 1 "Not handling restraint 43, item 1, resonance(s) ' .8.HN' (nmrStar names),' .8.HB2' (nmrStar names) not linked" c25813_2n7n 1 23 2 44 1 "Not handling restraint 44, item 1, resonance(s) ' .8.HN' (nmrStar names),' .8.HB3' (nmrStar names) not linked" c25813_2n7n 1 24 2 45 1 "Not handling restraint 45, item 1, resonance(s) ' .8.HN' (nmrStar names),' .8.QD' (nmrStar names) not linked" c25813_2n7n 1 25 2 46 1 "Not handling restraint 46, item 1, resonance(s) ' .8.QE' (nmrStar names),' .8.HN' (nmrStar names) not linked" c25813_2n7n 1 26 2 47 1 "Not handling restraint 47, item 1, resonance(s) ' .8.HN' (nmrStar names) not linked" c25813_2n7n 1 27 2 48 1 "Not handling restraint 48, item 1, resonance(s) ' .8.QD' (nmrStar names),' .8.HA' (nmrStar names) not linked" c25813_2n7n 1 28 2 49 1 "Not handling restraint 49, item 1, resonance(s) ' .8.HA' (nmrStar names) not linked" c25813_2n7n 1 29 2 50 1 "Not handling restraint 50, item 1, resonance(s) ' .8.HB2' (nmrStar names) not linked" c25813_2n7n 1 30 2 51 1 "Not handling restraint 51, item 1, resonance(s) ' .8.HB3' (nmrStar names) not linked" c25813_2n7n 1 31 2 52 1 "Not handling restraint 52, item 1, resonance(s) ' .8.QD' (nmrStar names) not linked" c25813_2n7n 1 32 2 53 1 "Not handling restraint 53, item 1, resonance(s) ' .8.QE' (nmrStar names) not linked" c25813_2n7n 1 33 2 81 1 "Not handling restraint 81, item 1, resonance(s) ' .12.HN1' (nmrStar names) not linked" c25813_2n7n 1 34 2 83 1 "Not handling restraint 83, item 1, resonance(s) ' .12.HN1' (nmrStar names) not linked" c25813_2n7n 1 35 2 84 1 "Not handling restraint 84, item 1, resonance(s) ' .12.HN1' (nmrStar names) not linked" c25813_2n7n 1 36 2 92 1 "Not handling restraint 92, item 1, resonance(s) ' .12.HN1' (nmrStar names) not linked" c25813_2n7n 1 37 2 93 1 "Not handling restraint 93, item 1, resonance(s) ' .12.HN2' (nmrStar names) not linked" c25813_2n7n 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 c25813_2n7n _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 16-SEP-15 2N7N *TITLE NMR STRUCTURE OF PEPTIDE PG-989 IN DPC MICELLES *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: PEPTIDE PG-989; *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 2N7N 0' save_