data_c34215_6f7o ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID c34215_6f7o _Entry.Title ; NMR structure of an Odin-Sam1 stapled peptide ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-12-11 _Entry.Accession_date 2017-12-11 _Entry.Last_release_date 2017-12-22 _Entry.Original_release_date 2017-12-22 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 M. Leone M. . . . c34215_6f7o 2 F. Mercurio F. A. . . c34215_6f7o stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Sam domain' . c34215_6f7o 'signaling protein' . c34215_6f7o 'stapled peptide' . c34215_6f7o stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 c34215_6f7o stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 99 c34215_6f7o 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 . . 2018-07-26 . original BMRB . c34215_6f7o stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6F7O 'BMRB Entry Tracking System' c34215_6f7o stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID c34215_6f7o _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1016/j.bioorg.2018.07.013 _Citation.PubMed_ID 30036816 _Citation.Full_citation . _Citation.Title ; Sam domain-based stapled peptides: Structural analysis and interaction studies with the Sam domains from the EphA2 receptor and the lipid phosphatase Ship2 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Bioorg. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM BOCMBM _Citation.Journal_ISSN 0045-2068 _Citation.Journal_CSD 0368 _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 2018 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 F. Mercurio F. A. . . c34215_6f7o 1 2 L. Pirone L. . . . c34215_6f7o 1 3 C. 'Di Natale' C. . . . c34215_6f7o 1 4 D. Marasco D. . . . c34215_6f7o 1 5 E. Pedone E. M. . . c34215_6f7o 1 6 M. Leone M. . . . c34215_6f7o 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID c34215_6f7o _Assembly.ID 1 _Assembly.Name 'Ephrin type-A receptor 2 (E.C.2.7.10.1)' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . . . c34215_6f7o 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID c34215_6f7o _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; XDPQHXRKLXQAARX ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer yes _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 15 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method syn _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 1610.916 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details "Fragment 745-757 of ANKS1A protein (Uniprot entry Q92625) with R749 and L753 mutated in MK8 (=(S)-2-(4'-pentenyl) alanine )" _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID Odin na c34215_6f7o 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ACE . c34215_6f7o 1 2 . ASP . c34215_6f7o 1 3 . PRO . c34215_6f7o 1 4 . GLN . c34215_6f7o 1 5 . HIS . c34215_6f7o 1 6 . MK8 . c34215_6f7o 1 7 . ARG . c34215_6f7o 1 8 . LYS . c34215_6f7o 1 9 . LEU . c34215_6f7o 1 10 . MK8 . c34215_6f7o 1 11 . GLN . c34215_6f7o 1 12 . ALA . c34215_6f7o 1 13 . ALA . c34215_6f7o 1 14 . ARG . c34215_6f7o 1 15 . NH2 . c34215_6f7o 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 c34215_6f7o 1 . ASP 2 2 c34215_6f7o 1 . PRO 3 3 c34215_6f7o 1 . GLN 4 4 c34215_6f7o 1 . HIS 5 5 c34215_6f7o 1 . MK8 6 6 c34215_6f7o 1 . ARG 7 7 c34215_6f7o 1 . LYS 8 8 c34215_6f7o 1 . LEU 9 9 c34215_6f7o 1 . MK8 10 10 c34215_6f7o 1 . GLN 11 11 c34215_6f7o 1 . ALA 12 12 c34215_6f7o 1 . ALA 13 13 c34215_6f7o 1 . ARG 14 14 c34215_6f7o 1 . NH2 15 15 c34215_6f7o 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 c34215_6f7o _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . c34215_6f7o 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 c34215_6f7o _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'chemical synthesis' . . . . . . . . . . . . . . . . c34215_6f7o 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_MK8 _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_MK8 _Chem_comp.Entry_ID c34215_6f7o _Chem_comp.ID MK8 _Chem_comp.Provenance PDB _Chem_comp.Name 2-methyl-L-norleucine _Chem_comp.Type 'L-PEPTIDE LINKING' _Chem_comp.BMRB_code MK8 _Chem_comp.PDB_code MK8 _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2017-03-01 _Chem_comp.Modified_date 2017-03-01 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code L _Chem_comp.Three_letter_code MK8 _Chem_comp.Number_atoms_all 25 _Chem_comp.Number_atoms_nh 10 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C7H15NO2/c1-3-4-5-7(2,8)6(9)10/h3-5,8H2,1-2H3,(H,9,10)/t7-/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 'C7 H15 N O2' _Chem_comp.Formula_weight 145.199 _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 3MK8 _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 CCCCC(C)(C(=O)O)N SMILES 'OpenEye OEToolkits' 1.7.0 c34215_6f7o MK8 CCCC[C@@](C)(C(=O)O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.7.0 c34215_6f7o MK8 CCCC[C@](C)(N)C(O)=O SMILES_CANONICAL CACTVS 3.370 c34215_6f7o MK8 CCCC[C](C)(N)C(O)=O SMILES CACTVS 3.370 c34215_6f7o MK8 InChI=1S/C7H15NO2/c1-3-4-5-7(2,8)6(9)10/h3-5,8H2,1-2H3,(H,9,10)/t7-/m0/s1 InChI InChI 1.03 c34215_6f7o MK8 LKZQHZQXROBVOO-ZETCQYMHSA-N InChIKey InChI 1.03 c34215_6f7o MK8 O=C(O)C(N)(CCCC)C SMILES ACDLabs 12.01 c34215_6f7o MK8 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-azanyl-2-methyl-hexanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.7.0 c34215_6f7o MK8 2-methyl-L-norleucine 'SYSTEMATIC NAME' ACDLabs 12.01 c34215_6f7o MK8 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 . . . . 8.622 . -1.151 . -8.108 . 1.985 -0.419 -0.058 1 . c34215_6f7o MK8 N N N N . N . . N 0 . . . 1 no no . . . . 8.403 . -1.737 . -5.778 . 0.633 1.427 -0.877 2 . c34215_6f7o MK8 O O O O . O . . N 0 . . . 1 no no . . . . 7.967 . -1.505 . -9.087 . 2.007 -1.609 0.151 3 . c34215_6f7o MK8 CA CA CA CA . C . . S 0 . . . 1 no no . . . . 7.941 . -0.782 . -6.794 . 0.704 0.354 0.124 4 . c34215_6f7o MK8 CB CB CB CB . C . . N 0 . . . 1 no no . . . . 8.353 . 0.634 . -6.352 . -0.489 -0.587 -0.051 5 . c34215_6f7o MK8 CD CD CD CD . C . . N 0 . . . 1 no no . . . . 8.390 . 1.576 . -8.735 . -2.981 -0.721 -0.165 6 . c34215_6f7o MK8 CE CE CE CE . C . . N 0 . . . 1 no no . . . . 7.778 . 2.634 . -9.639 . -4.280 0.086 -0.105 7 . c34215_6f7o MK8 CG CG CG CG . C . . N 0 . . . 1 no no . . . . 7.841 . 1.713 . -7.315 . -1.788 0.220 0.010 8 . c34215_6f7o MK8 CB1 CB1 CB1 CB1 . C . . N 0 . . . 1 no no . . . . 6.423 . -0.861 . -6.956 . 0.672 0.964 1.527 9 . c34215_6f7o MK8 OXT OXT OXT OXT . O . . N 0 . . . 1 no yes . . . . 10.047 . -1.084 . -8.204 . 3.102 0.214 -0.447 10 . c34215_6f7o MK8 HN HN HN HN . H . . N 0 . . . 1 no no . . . . 7.974 . -1.524 . -4.900 . 1.375 2.097 -0.742 11 . c34215_6f7o MK8 HNA HNA HNA HNA . H . . N 0 . . . 1 no yes . . . . 8.152 . -2.665 . -6.054 . 0.653 1.049 -1.813 12 . c34215_6f7o MK8 HB HB HB HB . H . . N 0 . . . 1 no no . . . . 7.932 . 0.826 . -5.354 . -0.418 -1.088 -1.016 13 . c34215_6f7o MK8 HBA HBA HBA HBA . H . . N 0 . . . 1 no no . . . . 9.451 . 0.685 . -6.320 . -0.486 -1.330 0.746 14 . c34215_6f7o MK8 HD HD HD HD . H . . N 0 . . . 1 no no . . . . 9.482 . 1.704 . -8.715 . -2.978 -1.465 0.632 15 . c34215_6f7o MK8 HDA HDA HDA HDA . H . . N 0 . . . 1 no no . . . . 8.141 . 0.578 . -9.125 . -2.910 -1.223 -1.130 16 . c34215_6f7o MK8 HE HE HE HE . H . . N 0 . . . 1 no no . . . . 8.181 . 2.525 . -10.657 . -5.130 -0.585 -0.229 17 . c34215_6f7o MK8 HEA HEA HEA HEA . H . . N 0 . . . 1 no no . . . . 6.685 . 2.509 . -9.662 . -4.352 0.587 0.861 18 . c34215_6f7o MK8 HEB HEB HEB HEB . H . . N 0 . . . 1 no no . . . . 8.025 . 3.634 . -9.252 . -4.284 0.829 -0.901 19 . c34215_6f7o MK8 HG HG HG HG . H . . N 0 . . . 1 no no . . . . 8.147 . 2.694 . -6.923 . -1.859 0.721 0.975 20 . c34215_6f7o MK8 HGA HGA HGA HGA . H . . N 0 . . . 1 no no . . . . 6.745 . 1.636 . -7.363 . -1.791 0.963 -0.787 21 . c34215_6f7o MK8 HB1 HB1 HB1 HB1 . H . . N 0 . . . 1 no no . . . . 5.938 . -0.594 . -6.006 . 1.522 1.634 1.652 22 . c34215_6f7o MK8 HB1A HB1A HB1A HB1A . H . . N 0 . . . 0 no no . . . . 6.101 . -0.161 . -7.741 . -0.254 1.523 1.659 23 . c34215_6f7o MK8 HB1B HB1B HB1B HB1B . H . . N 0 . . . 0 no no . . . . 6.137 . -1.885 . -7.238 . 0.724 0.168 2.270 24 . c34215_6f7o MK8 HXT HXT HXT HXT . H . . N 0 . . . 1 no yes . . . . 10.318 . -1.341 . -9.077 . 3.899 -0.324 -0.550 25 . c34215_6f7o MK8 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 C CA no N 1 . c34215_6f7o MK8 2 . SING C OXT no N 2 . c34215_6f7o MK8 3 . SING N HN no N 3 . c34215_6f7o MK8 4 . SING N HNA no N 4 . c34215_6f7o MK8 5 . DOUB O C no N 5 . c34215_6f7o MK8 6 . SING CA N no N 6 . c34215_6f7o MK8 7 . SING CA CB no N 7 . c34215_6f7o MK8 8 . SING CB HB no N 8 . c34215_6f7o MK8 9 . SING CB HBA no N 9 . c34215_6f7o MK8 10 . SING CD CG no N 10 . c34215_6f7o MK8 11 . SING CD HD no N 11 . c34215_6f7o MK8 12 . SING CD HDA no N 12 . c34215_6f7o MK8 13 . SING CE CD no N 13 . c34215_6f7o MK8 14 . SING CE HE no N 14 . c34215_6f7o MK8 15 . SING CE HEA no N 15 . c34215_6f7o MK8 16 . SING CE HEB no N 16 . c34215_6f7o MK8 17 . SING CG CB no N 17 . c34215_6f7o MK8 18 . SING CG HG no N 18 . c34215_6f7o MK8 19 . SING CG HGA no N 19 . c34215_6f7o MK8 20 . SING CB1 CA no N 20 . c34215_6f7o MK8 21 . SING CB1 HB1 no N 21 . c34215_6f7o MK8 22 . SING CB1 HB1A no N 22 . c34215_6f7o MK8 23 . SING CB1 HB1B no N 23 . c34215_6f7o MK8 24 . SING OXT HXT no N 24 . c34215_6f7o MK8 stop_ save_ save_chem_comp_NH2 _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_NH2 _Chem_comp.Entry_ID c34215_6f7o _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.Atom_nomenclature_source . _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 c34215_6f7o NH2 N SMILES ACDLabs 10.04 c34215_6f7o NH2 QGZKDVFQNNGYKY-UHFFFAOYAF InChIKey InChI 1.02b c34215_6f7o NH2 [NH2] SMILES CACTVS 3.341 c34215_6f7o NH2 [NH2] SMILES 'OpenEye OEToolkits' 1.5.0 c34215_6f7o NH2 [NH2] SMILES_CANONICAL CACTVS 3.341 c34215_6f7o NH2 [NH2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 c34215_6f7o 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 c34215_6f7o NH2 l^{2}-azane 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 c34215_6f7o 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 . c34215_6f7o NH2 HN1 HN1 HN1 1HN . H . . N 0 . . . 1 no no . . . . 9.517 . 8.769 . -7.044 . -0.385 -0.545 -0.771 2 . c34215_6f7o NH2 HN2 HN2 HN2 2HN . H . . N 0 . . . 1 no no . . . . 10.323 . 9.890 . -8.082 . 1.020 0.000 0.000 3 . c34215_6f7o 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 . c34215_6f7o NH2 2 . SING N HN2 no N 2 . c34215_6f7o NH2 stop_ save_ save_chem_comp_ACE _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ACE _Chem_comp.Entry_ID c34215_6f7o _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.Atom_nomenclature_source . _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 c34215_6f7o ACE CC=O SMILES 'OpenEye OEToolkits' 1.5.0 c34215_6f7o ACE CC=O SMILES_CANONICAL CACTVS 3.341 c34215_6f7o ACE CC=O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 c34215_6f7o ACE IKHGUXGNUITLKF-UHFFFAOYSA-N InChIKey InChI 1.03 c34215_6f7o ACE InChI=1S/C2H4O/c1-2-3/h2H,1H3 InChI InChI 1.03 c34215_6f7o ACE O=CC SMILES ACDLabs 10.04 c34215_6f7o 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 c34215_6f7o ACE ethanal 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 c34215_6f7o 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 . c34215_6f7o ACE O O O O . O . . N 0 . . . 1 no no . . . . 1.973 . -10.223 . 6.862 . -1.113 -0.252 0.000 2 . c34215_6f7o ACE CH3 CH3 CH3 CH3 . C . . N 0 . . . 1 no no . . . . -0.322 . -10.677 . 7.405 . 1.241 -0.167 0.000 3 . c34215_6f7o ACE H H H H . H . . N 0 . . . 1 no no . . . . 0.685 . -9.453 . 5.669 . -0.240 1.528 0.000 4 . c34215_6f7o ACE H1 H1 H1 1H . H . . N 0 . . . 1 no no . . . . -1.191 . -10.444 . 7.018 . 1.360 -0.785 0.890 5 . c34215_6f7o ACE H2 H2 H2 2H . H . . N 0 . . . 1 no no . . . . -0.269 . -10.331 . 8.320 . 1.360 -0.785 -0.890 6 . c34215_6f7o ACE H3 H3 H3 3H . H . . N 0 . . . 1 no no . . . . -0.221 . -11.652 . 7.418 . 1.995 0.620 0.000 7 . c34215_6f7o 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 . c34215_6f7o ACE 2 . SING C CH3 no N 2 . c34215_6f7o ACE 3 . SING C H no N 3 . c34215_6f7o ACE 4 . SING CH3 H1 no N 4 . c34215_6f7o ACE 5 . SING CH3 H2 no N 5 . c34215_6f7o ACE 6 . SING CH3 H3 no N 6 . c34215_6f7o ACE stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID c34215_6f7o _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '930 uM A5ST, 90% H2O/10% D2O' _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 A5ST 'natural abundance' . . 1 $entity_1 . . 930 . . uM . . . . c34215_6f7o 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 c34215_6f7o _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 pH 7.5 . pH c34215_6f7o 1 pressure 1 . atm c34215_6f7o 1 temperature 298 . K c34215_6f7o 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID c34215_6f7o _Software.ID 1 _Software.Type . _Software.Name VNMRJ _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . c34215_6f7o 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing c34215_6f7o 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID c34215_6f7o _Software.ID 2 _Software.Type . _Software.Name XEASY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . c34215_6f7o 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' c34215_6f7o 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID c34215_6f7o _Software.ID 3 _Software.Type . _Software.Name CYANA _Software.Version 2.1 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . c34215_6f7o 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement c34215_6f7o 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID c34215_6f7o _Software.ID 4 _Software.Type . _Software.Name Chimera _Software.Version 1.10.1 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Pettersen et al.' . . c34215_6f7o 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' c34215_6f7o 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID c34215_6f7o _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'Cold probe' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID c34215_6f7o _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Varian INOVA . 600 . . . c34215_6f7o 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 c34215_6f7o _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . c34215_6f7o 1 2 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . c34215_6f7o 1 3 '2D DQF-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . c34215_6f7o 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID c34215_6f7o _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 TSP 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . c34215_6f7o 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID c34215_6f7o _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H TOCSY' . . . c34215_6f7o 1 2 '2D 1H-1H NOESY' . . . c34215_6f7o 1 3 '2D DQF-COSY' . . . c34215_6f7o 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.Ambiguity_set_ID _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 2.02 0.01 . 1 . . . . A 1 ACE H1 . c34215_6f7o 1 2 . 1 1 2 2 ASP H H 1 8.31 0.01 . 1 . . . . A 2 ASP H . c34215_6f7o 1 3 . 1 1 2 2 ASP HA H 1 4.89 0.01 . 1 . . . . A 2 ASP HA . c34215_6f7o 1 4 . 1 1 2 2 ASP HB2 H 1 2.75 0.01 . 2 . . . . A 2 ASP HB2 . c34215_6f7o 1 5 . 1 1 2 2 ASP HB3 H 1 2.67 0.01 . 2 . . . . A 2 ASP HB3 . c34215_6f7o 1 6 . 1 1 3 3 PRO HA H 1 4.47 0.01 . 1 . . . . A 3 PRO HA . c34215_6f7o 1 7 . 1 1 3 3 PRO HB2 H 1 2.40 0.01 . 2 . . . . A 3 PRO HB2 . c34215_6f7o 1 8 . 1 1 3 3 PRO HB3 H 1 1.99 0.01 . 2 . . . . A 3 PRO HB3 . c34215_6f7o 1 9 . 1 1 3 3 PRO HG2 H 1 2.09 0.01 . 1 . . . . A 3 PRO HG2 . c34215_6f7o 1 10 . 1 1 3 3 PRO HG3 H 1 2.09 0.01 . 1 . . . . A 3 PRO HG3 . c34215_6f7o 1 11 . 1 1 3 3 PRO HD2 H 1 4.00 0.01 . 2 . . . . A 3 PRO HD2 . c34215_6f7o 1 12 . 1 1 3 3 PRO HD3 H 1 3.90 0.01 . 2 . . . . A 3 PRO HD3 . c34215_6f7o 1 13 . 1 1 4 4 GLN H H 1 8.44 0.01 . 1 . . . . A 4 GLN H . c34215_6f7o 1 14 . 1 1 4 4 GLN HA H 1 4.18 0.01 . 1 . . . . A 4 GLN HA . c34215_6f7o 1 15 . 1 1 4 4 GLN HB2 H 1 2.12 0.01 . 1 . . . . A 4 GLN HB2 . c34215_6f7o 1 16 . 1 1 4 4 GLN HB3 H 1 2.12 0.01 . 1 . . . . A 4 GLN HB3 . c34215_6f7o 1 17 . 1 1 4 4 GLN HG2 H 1 2.40 0.01 . 2 . . . . A 4 GLN HG2 . c34215_6f7o 1 18 . 1 1 4 4 GLN HG3 H 1 2.34 0.01 . 2 . . . . A 4 GLN HG3 . c34215_6f7o 1 19 . 1 1 5 5 HIS H H 1 7.95 0.01 . 1 . . . . A 5 HIS H . c34215_6f7o 1 20 . 1 1 5 5 HIS HA H 1 4.36 0.01 . 1 . . . . A 5 HIS HA . c34215_6f7o 1 21 . 1 1 5 5 HIS HB2 H 1 3.19 0.01 . 1 . . . . A 5 HIS HB2 . c34215_6f7o 1 22 . 1 1 5 5 HIS HB3 H 1 3.19 0.01 . 1 . . . . A 5 HIS HB3 . c34215_6f7o 1 23 . 1 1 5 5 HIS HD1 H 1 7.05 0.01 . 1 . . . . A 5 HIS HD1 . c34215_6f7o 1 24 . 1 1 5 5 HIS HE1 H 1 7.82 0.01 . 1 . . . . A 5 HIS HE1 . c34215_6f7o 1 25 . 1 1 6 6 MK8 HB H 1 2.03 0.01 . 2 . . . . A 6 MK8 HB . c34215_6f7o 1 26 . 1 1 6 6 MK8 HB1 H 1 1.43 0.01 . 1 . . . . A 6 MK8 HB1 . c34215_6f7o 1 27 . 1 1 6 6 MK8 HB1A H 1 1.43 0.01 . 1 . . . . A 6 MK8 HB1A . c34215_6f7o 1 28 . 1 1 6 6 MK8 HB1B H 1 1.43 0.01 . 1 . . . . A 6 MK8 HB1B . c34215_6f7o 1 29 . 1 1 6 6 MK8 HBA H 1 1.97 0.01 . 2 . . . . A 6 MK8 HBA . c34215_6f7o 1 30 . 1 1 6 6 MK8 HD H 1 1.98 0.01 . 2 . . . . A 6 MK8 HD . c34215_6f7o 1 31 . 1 1 6 6 MK8 HDA H 1 1.74 0.01 . 2 . . . . A 6 MK8 HDA . c34215_6f7o 1 32 . 1 1 6 6 MK8 HE H 1 5.46 0.01 . 1 . . . . A 6 MK8 HE . c34215_6f7o 1 33 . 1 1 6 6 MK8 HG H 1 1.15 0.01 . 1 . . . . A 6 MK8 HG . c34215_6f7o 1 34 . 1 1 6 6 MK8 HGA H 1 1.15 0.01 . 1 . . . . A 6 MK8 HGA . c34215_6f7o 1 35 . 1 1 6 6 MK8 HN H 1 7.98 0.01 . 1 . . . . A 6 MK8 HN . c34215_6f7o 1 36 . 1 1 7 7 ARG H H 1 8.14 0.01 . 1 . . . . A 7 ARG H . c34215_6f7o 1 37 . 1 1 7 7 ARG HA H 1 3.96 0.01 . 1 . . . . A 7 ARG HA . c34215_6f7o 1 38 . 1 1 7 7 ARG HB2 H 1 1.96 0.01 . 2 . . . . A 7 ARG HB2 . c34215_6f7o 1 39 . 1 1 7 7 ARG HB3 H 1 1.92 0.01 . 2 . . . . A 7 ARG HB3 . c34215_6f7o 1 40 . 1 1 7 7 ARG HG2 H 1 1.71 0.01 . 1 . . . . A 7 ARG HG2 . c34215_6f7o 1 41 . 1 1 7 7 ARG HG3 H 1 1.71 0.01 . 1 . . . . A 7 ARG HG3 . c34215_6f7o 1 42 . 1 1 7 7 ARG HD2 H 1 3.23 0.01 . 1 . . . . A 7 ARG HD2 . c34215_6f7o 1 43 . 1 1 7 7 ARG HD3 H 1 3.23 0.01 . 1 . . . . A 7 ARG HD3 . c34215_6f7o 1 44 . 1 1 8 8 LYS H H 1 7.69 0.01 . 1 . . . . A 8 LYS H . c34215_6f7o 1 45 . 1 1 8 8 LYS HA H 1 4.03 0.01 . 1 . . . . A 8 LYS HA . c34215_6f7o 1 46 . 1 1 8 8 LYS HB2 H 1 1.95 0.01 . 1 . . . . A 8 LYS HB2 . c34215_6f7o 1 47 . 1 1 8 8 LYS HB3 H 1 1.95 0.01 . 1 . . . . A 8 LYS HB3 . c34215_6f7o 1 48 . 1 1 8 8 LYS HG2 H 1 1.62 0.01 . 2 . . . . A 8 LYS HG2 . c34215_6f7o 1 49 . 1 1 8 8 LYS HG3 H 1 1.43 0.01 . 2 . . . . A 8 LYS HG3 . c34215_6f7o 1 50 . 1 1 8 8 LYS HD2 H 1 1.72 0.01 . 1 . . . . A 8 LYS HD2 . c34215_6f7o 1 51 . 1 1 8 8 LYS HD3 H 1 1.72 0.01 . 1 . . . . A 8 LYS HD3 . c34215_6f7o 1 52 . 1 1 8 8 LYS HE2 H 1 3.00 0.01 . 1 . . . . A 8 LYS HE2 . c34215_6f7o 1 53 . 1 1 8 8 LYS HE3 H 1 3.00 0.01 . 1 . . . . A 8 LYS HE3 . c34215_6f7o 1 54 . 1 1 9 9 LEU H H 1 7.48 0.01 . 1 . . . . A 9 LEU H . c34215_6f7o 1 55 . 1 1 9 9 LEU HA H 1 4.08 0.01 . 1 . . . . A 9 LEU HA . c34215_6f7o 1 56 . 1 1 9 9 LEU HB2 H 1 1.80 0.01 . 2 . . . . A 9 LEU HB2 . c34215_6f7o 1 57 . 1 1 9 9 LEU HB3 H 1 1.61 0.01 . 2 . . . . A 9 LEU HB3 . c34215_6f7o 1 58 . 1 1 9 9 LEU HG H 1 1.51 0.01 . 1 . . . . A 9 LEU HG . c34215_6f7o 1 59 . 1 1 9 9 LEU HD11 H 1 0.84 0.01 . 2 . . . . A 9 LEU HD11 . c34215_6f7o 1 60 . 1 1 9 9 LEU HD12 H 1 0.84 0.01 . 2 . . . . A 9 LEU HD12 . c34215_6f7o 1 61 . 1 1 9 9 LEU HD13 H 1 0.84 0.01 . 2 . . . . A 9 LEU HD13 . c34215_6f7o 1 62 . 1 1 9 9 LEU HD21 H 1 0.82 0.01 . 2 . . . . A 9 LEU HD21 . c34215_6f7o 1 63 . 1 1 9 9 LEU HD22 H 1 0.82 0.01 . 2 . . . . A 9 LEU HD22 . c34215_6f7o 1 64 . 1 1 9 9 LEU HD23 H 1 0.82 0.01 . 2 . . . . A 9 LEU HD23 . c34215_6f7o 1 65 . 1 1 10 10 MK8 HB H 1 1.99 0.01 . 2 . . . . A 10 MK8 HB . c34215_6f7o 1 66 . 1 1 10 10 MK8 HB1 H 1 1.46 0.01 . 1 . . . . A 10 MK8 HB1 . c34215_6f7o 1 67 . 1 1 10 10 MK8 HB1A H 1 1.46 0.01 . 1 . . . . A 10 MK8 HB1A . c34215_6f7o 1 68 . 1 1 10 10 MK8 HB1B H 1 1.46 0.01 . 1 . . . . A 10 MK8 HB1B . c34215_6f7o 1 69 . 1 1 10 10 MK8 HBA H 1 1.62 0.01 . 2 . . . . A 10 MK8 HBA . c34215_6f7o 1 70 . 1 1 10 10 MK8 HD H 1 2.10 0.01 . 2 . . . . A 10 MK8 HD . c34215_6f7o 1 71 . 1 1 10 10 MK8 HDA H 1 1.73 0.01 . 2 . . . . A 10 MK8 HDA . c34215_6f7o 1 72 . 1 1 10 10 MK8 HE H 1 5.55 0.01 . 1 . . . . A 10 MK8 HE . c34215_6f7o 1 73 . 1 1 10 10 MK8 HG H 1 1.50 0.01 . 2 . . . . A 10 MK8 HG . c34215_6f7o 1 74 . 1 1 10 10 MK8 HGA H 1 1.38 0.01 . 2 . . . . A 10 MK8 HGA . c34215_6f7o 1 75 . 1 1 10 10 MK8 HN H 1 8.40 0.01 . 1 . . . . A 10 MK8 HN . c34215_6f7o 1 76 . 1 1 11 11 GLN H H 1 7.91 0.01 . 1 . . . . A 11 GLN H . c34215_6f7o 1 77 . 1 1 11 11 GLN HA H 1 4.04 0.01 . 1 . . . . A 11 GLN HA . c34215_6f7o 1 78 . 1 1 11 11 GLN HB2 H 1 2.19 0.01 . 2 . . . . A 11 GLN HB2 . c34215_6f7o 1 79 . 1 1 11 11 GLN HB3 H 1 2.16 0.01 . 2 . . . . A 11 GLN HB3 . c34215_6f7o 1 80 . 1 1 11 11 GLN HG2 H 1 2.56 0.01 . 2 . . . . A 11 GLN HG2 . c34215_6f7o 1 81 . 1 1 11 11 GLN HG3 H 1 2.46 0.01 . 2 . . . . A 11 GLN HG3 . c34215_6f7o 1 82 . 1 1 12 12 ALA H H 1 7.69 0.01 . 1 . . . . A 12 ALA H . c34215_6f7o 1 83 . 1 1 12 12 ALA HA H 1 4.27 0.01 . 1 . . . . A 12 ALA HA . c34215_6f7o 1 84 . 1 1 12 12 ALA HB1 H 1 1.54 0.01 . 1 . . . . A 12 ALA HB1 . c34215_6f7o 1 85 . 1 1 12 12 ALA HB2 H 1 1.54 0.01 . 1 . . . . A 12 ALA HB2 . c34215_6f7o 1 86 . 1 1 12 12 ALA HB3 H 1 1.54 0.01 . 1 . . . . A 12 ALA HB3 . c34215_6f7o 1 87 . 1 1 13 13 ALA H H 1 7.66 0.01 . 1 . . . . A 13 ALA H . c34215_6f7o 1 88 . 1 1 13 13 ALA HA H 1 4.32 0.01 . 1 . . . . A 13 ALA HA . c34215_6f7o 1 89 . 1 1 13 13 ALA HB1 H 1 1.50 0.01 . 1 . . . . A 13 ALA HB1 . c34215_6f7o 1 90 . 1 1 13 13 ALA HB2 H 1 1.50 0.01 . 1 . . . . A 13 ALA HB2 . c34215_6f7o 1 91 . 1 1 13 13 ALA HB3 H 1 1.50 0.01 . 1 . . . . A 13 ALA HB3 . c34215_6f7o 1 92 . 1 1 14 14 ARG H H 1 7.84 0.01 . 1 . . . . A 14 ARG H . c34215_6f7o 1 93 . 1 1 14 14 ARG HA H 1 4.29 0.01 . 1 . . . . A 14 ARG HA . c34215_6f7o 1 94 . 1 1 14 14 ARG HB2 H 1 1.97 0.01 . 2 . . . . A 14 ARG HB2 . c34215_6f7o 1 95 . 1 1 14 14 ARG HB3 H 1 1.84 0.01 . 2 . . . . A 14 ARG HB3 . c34215_6f7o 1 96 . 1 1 14 14 ARG HG2 H 1 1.78 0.01 . 2 . . . . A 14 ARG HG2 . c34215_6f7o 1 97 . 1 1 14 14 ARG HG3 H 1 1.72 0.01 . 2 . . . . A 14 ARG HG3 . c34215_6f7o 1 98 . 1 1 14 14 ARG HD2 H 1 3.23 0.01 . 1 . . . . A 14 ARG HD2 . c34215_6f7o 1 99 . 1 1 14 14 ARG HD3 H 1 3.23 0.01 . 1 . . . . A 14 ARG HD3 . c34215_6f7o 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 c34215_6f7o _Conformer_stat_list.ID 1 _Conformer_stat_list.Conf_family_coord_set_ID 1 _Conformer_stat_list.Conf_family_coord_set_label $Original_constraints_and_structures _Conformer_stat_list.Conformer_submitted_total_num 20 save_ ##################################### # Conformer family coordinate set # ##################################### save_ensemble_of_conformers _Conformer_family_coord_set.Sf_category conformer_family_coord_set _Conformer_family_coord_set.Sf_framecode ensemble_of_conformers _Conformer_family_coord_set.Entry_ID c34215_6f7o _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 . . . c34215_6f7o 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 . . . . c34215_6f7o 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 -4.724 2.480 7.925 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . c34215_6f7o 1 . 1 . 2 . 1 1 1 ACE CH3 C -5.518 1.371 7.327 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . c34215_6f7o 1 . 1 . 3 . 1 1 1 ACE H1 H -5.219 0.425 7.780 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . c34215_6f7o 1 . 1 . 4 . 1 1 1 ACE H2 H -6.579 1.543 7.509 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . c34215_6f7o 1 . 1 . 5 . 1 1 1 ACE H3 H -5.334 1.332 6.253 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . c34215_6f7o 1 . 1 . 6 . 1 1 1 ACE O O -3.504 2.559 7.788 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . c34215_6f7o 1 . 1 . 7 . 1 1 2 ASP C C -3.966 5.312 8.266 . . . 1.0 . . . . . . . . . . . . A . 2 ASP C . . . . . . . . . c34215_6f7o 1 . 1 . 8 . 1 1 2 ASP CA C -4.803 4.514 9.261 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CA . . . . . . . . . c34215_6f7o 1 . 1 . 9 . 1 1 2 ASP CB C -3.925 4.048 10.425 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CB . . . . . . . . . c34215_6f7o 1 . 1 . 10 . 1 1 2 ASP CG C -4.718 3.321 11.492 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CG . . . . . . . . . c34215_6f7o 1 . 1 . 11 . 1 1 2 ASP H H -6.404 3.254 8.687 . . . 1.0 . . . . . . . . . . . . A . 2 ASP H . . . . . . . . . c34215_6f7o 1 . 1 . 12 . 1 1 2 ASP HA H -5.584 5.150 9.644 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HA . . . . . . . . . c34215_6f7o 1 . 1 . 13 . 1 1 2 ASP HB2 H -3.163 3.381 10.049 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HB2 . . . . . . . . . c34215_6f7o 1 . 1 . 14 . 1 1 2 ASP HB3 H -3.451 4.908 10.876 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HB3 . . . . . . . . . c34215_6f7o 1 . 1 . 15 . 1 1 2 ASP N N -5.432 3.369 8.614 . . . 1.0 . . . . . . . . . . . . A . 2 ASP N . . . . . . . . . c34215_6f7o 1 . 1 . 16 . 1 1 2 ASP O O -2.736 5.312 8.311 . . . 1.0 . . . . . . . . . . . . A . 2 ASP O . . . . . . . . . c34215_6f7o 1 . 1 . 17 . 1 1 2 ASP OD1 O -5.157 2.181 11.231 . . . 1.0 . . . . . . . . . . . . A . 2 ASP OD1 . . . . . . . . . c34215_6f7o 1 . 1 . 18 . 1 1 2 ASP OD2 O -4.898 3.889 12.590 . . . 1.0 . . . . . . . . . . . . A . 2 ASP OD2 . . . . . . . . . c34215_6f7o 1 . 1 . 19 . 1 1 3 PRO C C -3.323 8.059 6.896 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . c34215_6f7o 1 . 1 . 20 . 1 1 3 PRO CA C -3.987 6.815 6.313 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . c34215_6f7o 1 . 1 . 21 . 1 1 3 PRO CB C -5.136 7.208 5.381 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . c34215_6f7o 1 . 1 . 22 . 1 1 3 PRO CD C -6.115 6.046 7.225 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . c34215_6f7o 1 . 1 . 23 . 1 1 3 PRO CG C -6.355 7.152 6.234 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . c34215_6f7o 1 . 1 . 24 . 1 1 3 PRO HA H -3.255 6.243 5.763 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . c34215_6f7o 1 . 1 . 25 . 1 1 3 PRO HB2 H -4.966 8.205 4.997 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . c34215_6f7o 1 . 1 . 26 . 1 1 3 PRO HB3 H -5.195 6.509 4.561 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . c34215_6f7o 1 . 1 . 27 . 1 1 3 PRO HD2 H -6.570 6.284 8.175 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . c34215_6f7o 1 . 1 . 28 . 1 1 3 PRO HD3 H -6.500 5.110 6.845 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . c34215_6f7o 1 . 1 . 29 . 1 1 3 PRO HG2 H -6.488 8.092 6.749 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . c34215_6f7o 1 . 1 . 30 . 1 1 3 PRO HG3 H -7.218 6.929 5.626 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . c34215_6f7o 1 . 1 . 31 . 1 1 3 PRO N N -4.647 6.002 7.339 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . c34215_6f7o 1 . 1 . 32 . 1 1 3 PRO O O -2.394 8.611 6.308 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . c34215_6f7o 1 . 1 . 33 . 1 1 4 GLN C C -1.768 9.505 8.979 . . . 1.0 . . . . . . . . . . . . A . 4 GLN C . . . . . . . . . c34215_6f7o 1 . 1 . 34 . 1 1 4 GLN CA C -3.261 9.672 8.717 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CA . . . . . . . . . c34215_6f7o 1 . 1 . 35 . 1 1 4 GLN CB C -3.997 9.931 10.033 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CB . . . . . . . . . c34215_6f7o 1 . 1 . 36 . 1 1 4 GLN CD C -5.117 8.650 11.898 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CD . . . . . . . . . c34215_6f7o 1 . 1 . 37 . 1 1 4 GLN CG C -3.884 8.788 11.028 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CG . . . . . . . . . c34215_6f7o 1 . 1 . 38 . 1 1 4 GLN H H -4.549 8.011 8.475 . . . 1.0 . . . . . . . . . . . . A . 4 GLN H . . . . . . . . . c34215_6f7o 1 . 1 . 39 . 1 1 4 GLN HA H -3.407 10.517 8.061 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HA . . . . . . . . . c34215_6f7o 1 . 1 . 40 . 1 1 4 GLN HB2 H -3.588 10.820 10.489 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HB2 . . . . . . . . . c34215_6f7o 1 . 1 . 41 . 1 1 4 GLN HB3 H -5.042 10.094 9.820 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HB3 . . . . . . . . . c34215_6f7o 1 . 1 . 42 . 1 1 4 GLN HE21 H -5.744 7.112 10.806 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HE21 . . . . . . . . . c34215_6f7o 1 . 1 . 43 . 1 1 4 GLN HE22 H -6.767 7.565 12.123 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HE22 . . . . . . . . . c34215_6f7o 1 . 1 . 44 . 1 1 4 GLN HG2 H -3.741 7.866 10.483 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HG2 . . . . . . . . . c34215_6f7o 1 . 1 . 45 . 1 1 4 GLN HG3 H -3.030 8.964 11.665 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HG3 . . . . . . . . . c34215_6f7o 1 . 1 . 46 . 1 1 4 GLN N N -3.809 8.493 8.054 . . . 1.0 . . . . . . . . . . . . A . 4 GLN N . . . . . . . . . c34215_6f7o 1 . 1 . 47 . 1 1 4 GLN NE2 N -5.963 7.677 11.576 . . . 1.0 . . . . . . . . . . . . A . 4 GLN NE2 . . . . . . . . . c34215_6f7o 1 . 1 . 48 . 1 1 4 GLN O O -0.999 10.463 8.885 . . . 1.0 . . . . . . . . . . . . A . 4 GLN O . . . . . . . . . c34215_6f7o 1 . 1 . 49 . 1 1 4 GLN OE1 O -5.310 9.407 12.850 . . . 1.0 . . . . . . . . . . . . A . 4 GLN OE1 . . . . . . . . . c34215_6f7o 1 . 1 . 50 . 1 1 5 HIS C C 0.824 7.818 8.288 . . . 1.0 . . . . . . . . . . . . A . 5 HIS C . . . . . . . . . c34215_6f7o 1 . 1 . 51 . 1 1 5 HIS CA C 0.039 7.991 9.585 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CA . . . . . . . . . c34215_6f7o 1 . 1 . 52 . 1 1 5 HIS CB C 0.160 6.728 10.440 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CB . . . . . . . . . c34215_6f7o 1 . 1 . 53 . 1 1 5 HIS CD2 C 1.404 6.649 12.715 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CD2 . . . . . . . . . c34215_6f7o 1 . 1 . 54 . 1 1 5 HIS CE1 C 3.455 6.846 11.965 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CE1 . . . . . . . . . c34215_6f7o 1 . 1 . 55 . 1 1 5 HIS CG C 1.338 6.742 11.367 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CG . . . . . . . . . c34215_6f7o 1 . 1 . 56 . 1 1 5 HIS H H -2.022 7.560 9.368 . . . 1.0 . . . . . . . . . . . . A . 5 HIS H . . . . . . . . . c34215_6f7o 1 . 1 . 57 . 1 1 5 HIS HA H 0.451 8.825 10.133 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HA . . . . . . . . . c34215_6f7o 1 . 1 . 58 . 1 1 5 HIS HB2 H -0.731 6.619 11.039 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB2 . . . . . . . . . c34215_6f7o 1 . 1 . 59 . 1 1 5 HIS HB3 H 0.258 5.869 9.791 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB3 . . . . . . . . . c34215_6f7o 1 . 1 . 60 . 1 1 5 HIS HD1 H 2.922 6.952 9.994 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD1 . . . . . . . . . c34215_6f7o 1 . 1 . 61 . 1 1 5 HIS HD2 H 0.569 6.543 13.394 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD2 . . . . . . . . . c34215_6f7o 1 . 1 . 62 . 1 1 5 HIS HE1 H 4.531 6.923 11.927 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HE1 . . . . . . . . . c34215_6f7o 1 . 1 . 63 . 1 1 5 HIS N N -1.362 8.281 9.308 . . . 1.0 . . . . . . . . . . . . A . 5 HIS N . . . . . . . . . c34215_6f7o 1 . 1 . 64 . 1 1 5 HIS ND1 N 2.638 6.865 10.928 . . . 1.0 . . . . . . . . . . . . A . 5 HIS ND1 . . . . . . . . . c34215_6f7o 1 . 1 . 65 . 1 1 5 HIS NE2 N 2.730 6.717 13.063 . . . 1.0 . . . . . . . . . . . . A . 5 HIS NE2 . . . . . . . . . c34215_6f7o 1 . 1 . 66 . 1 1 5 HIS O O 2.037 8.015 8.290 . . . 1.0 . . . . . . . . . . . . A . 5 HIS O . . . . . . . . . c34215_6f7o 1 . 1 . 67 . 1 1 6 . C C 1.359 8.541 5.479 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 C . . . . . . . . . c34215_6f7o 1 . 1 . 68 . 1 1 6 . CA C 0.827 7.157 5.869 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 CA . . . . . . . . . c34215_6f7o 1 . 1 . 69 . 1 1 6 . CB C -0.197 6.689 4.785 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 CB . . . . . . . . . c34215_6f7o 1 . 1 . 70 . 1 1 6 . CB1 C 1.945 6.066 5.943 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 CB1 . . . . . . . . . c34215_6f7o 1 . 1 . 71 . 1 1 6 . CD C -0.139 7.812 2.457 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 CD . . . . . . . . . c34215_6f7o 1 . 1 . 72 . 1 1 6 . CE C 0.626 7.853 1.150 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 CE . . . . . . . . . c34215_6f7o 1 . 1 . 73 . 1 1 6 . CG C 0.362 6.643 3.333 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 CG . . . . . . . . . c34215_6f7o 1 . 1 . 74 . 1 1 6 . HB H -0.556 5.690 5.052 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HB . . . . . . . . . c34215_6f7o 1 . 1 . 75 . 1 1 6 . HB1 H 1.503 5.074 6.056 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HB1 . . . . . . . . . c34215_6f7o 1 . 1 . 76 . 1 1 6 . HB1A H 2.579 6.053 5.059 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HB1A . . . . . . . . . c34215_6f7o 1 . 1 . 77 . 1 1 6 . HB1B H 2.606 6.200 6.794 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HB1B . . . . . . . . . c34215_6f7o 1 . 1 . 78 . 1 1 6 . HBA H -1.076 7.325 4.789 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HBA . . . . . . . . . c34215_6f7o 1 . 1 . 79 . 1 1 6 . HD H -1.202 7.666 2.246 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HD . . . . . . . . . c34215_6f7o 1 . 1 . 80 . 1 1 6 . HDA H -0.058 8.750 3.002 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HDA . . . . . . . . . c34215_6f7o 1 . 1 . 81 . 1 1 6 . HE H 0.369 7.067 0.447 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HE . . . . . . . . . c34215_6f7o 1 . 1 . 82 . 1 1 6 . HG H 1.452 6.645 3.324 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HG . . . . . . . . . c34215_6f7o 1 . 1 . 83 . 1 1 6 . HGA H 0.054 5.704 2.864 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HGA . . . . . . . . . c34215_6f7o 1 . 1 . 84 . 1 1 6 . HN H -0.774 7.029 7.289 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HN . . . . . . . . . c34215_6f7o 1 . 1 . 85 . 1 1 6 . N N 0.198 7.288 7.205 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 N . . . . . . . . . c34215_6f7o 1 . 1 . 86 . 1 1 6 . O O 2.514 8.743 5.188 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 O . . . . . . . . . c34215_6f7o 1 . 1 . 87 . 1 1 7 ARG C C 1.882 11.478 6.280 . . . 1.0 . . . . . . . . . . . . A . 7 ARG C . . . . . . . . . c34215_6f7o 1 . 1 . 88 . 1 1 7 ARG CA C 0.780 10.972 5.354 . . . 1.0 . . . . . . . . . . . . A . 7 ARG CA . . . . . . . . . c34215_6f7o 1 . 1 . 89 . 1 1 7 ARG CB C -0.477 11.825 5.528 . . . 1.0 . . . . . . . . . . . . A . 7 ARG CB . . . . . . . . . c34215_6f7o 1 . 1 . 90 . 1 1 7 ARG CD C -0.949 13.143 3.440 . . . 1.0 . . . . . . . . . . . . A . 7 ARG CD . . . . . . . . . c34215_6f7o 1 . 1 . 91 . 1 1 7 ARG CG C -0.390 13.185 4.853 . . . 1.0 . . . . . . . . . . . . A . 7 ARG CG . . . . . . . . . c34215_6f7o 1 . 1 . 92 . 1 1 7 ARG CZ C -0.056 13.345 1.160 . . . 1.0 . . . . . . . . . . . . A . 7 ARG CZ . . . . . . . . . c34215_6f7o 1 . 1 . 93 . 1 1 7 ARG H H -0.431 9.316 5.870 . . . 1.0 . . . . . . . . . . . . A . 7 ARG H . . . . . . . . . c34215_6f7o 1 . 1 . 94 . 1 1 7 ARG HA H 1.120 11.051 4.333 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HA . . . . . . . . . c34215_6f7o 1 . 1 . 95 . 1 1 7 ARG HB2 H -1.320 11.294 5.107 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HB2 . . . . . . . . . c34215_6f7o 1 . 1 . 96 . 1 1 7 ARG HB3 H -0.650 11.981 6.582 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HB3 . . . . . . . . . c34215_6f7o 1 . 1 . 97 . 1 1 7 ARG HD2 H -1.213 12.124 3.202 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HD2 . . . . . . . . . c34215_6f7o 1 . 1 . 98 . 1 1 7 ARG HD3 H -1.833 13.763 3.399 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HD3 . . . . . . . . . c34215_6f7o 1 . 1 . 99 . 1 1 7 ARG HE H 0.750 14.187 2.777 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HE . . . . . . . . . c34215_6f7o 1 . 1 . 100 . 1 1 7 ARG HG2 H -0.954 13.900 5.432 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HG2 . . . . . . . . . c34215_6f7o 1 . 1 . 101 . 1 1 7 ARG HG3 H 0.646 13.488 4.812 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HG3 . . . . . . . . . c34215_6f7o 1 . 1 . 102 . 1 1 7 ARG HH11 H -1.092 12.378 -0.283 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HH11 . . . . . . . . . c34215_6f7o 1 . 1 . 103 . 1 1 7 ARG HH12 H -1.732 12.228 1.319 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HH12 . . . . . . . . . c34215_6f7o 1 . 1 . 104 . 1 1 7 ARG HH21 H 0.805 13.609 -0.652 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HH21 . . . . . . . . . c34215_6f7o 1 . 1 . 105 . 1 1 7 ARG HH22 H 1.603 14.392 0.671 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HH22 . . . . . . . . . c34215_6f7o 1 . 1 . 106 . 1 1 7 ARG N N 0.481 9.569 5.620 . . . 1.0 . . . . . . . . . . . . A . 7 ARG N . . . . . . . . . c34215_6f7o 1 . 1 . 107 . 1 1 7 ARG NE N 0.014 13.625 2.455 . . . 1.0 . . . . . . . . . . . . A . 7 ARG NE . . . . . . . . . c34215_6f7o 1 . 1 . 108 . 1 1 7 ARG NH1 N -1.042 12.588 0.694 . . . 1.0 . . . . . . . . . . . . A . 7 ARG NH1 . . . . . . . . . c34215_6f7o 1 . 1 . 109 . 1 1 7 ARG NH2 N 0.859 13.821 0.323 . . . 1.0 . . . . . . . . . . . . A . 7 ARG NH2 . . . . . . . . . c34215_6f7o 1 . 1 . 110 . 1 1 7 ARG O O 2.834 12.119 5.837 . . . 1.0 . . . . . . . . . . . . A . 7 ARG O . . . . . . . . . c34215_6f7o 1 . 1 . 111 . 1 1 8 LYS C C 4.121 11.111 8.189 . . . 1.0 . . . . . . . . . . . . A . 8 LYS C . . . . . . . . . c34215_6f7o 1 . 1 . 112 . 1 1 8 LYS CA C 2.728 11.609 8.559 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CA . . . . . . . . . c34215_6f7o 1 . 1 . 113 . 1 1 8 LYS CB C 2.342 11.092 9.946 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CB . . . . . . . . . c34215_6f7o 1 . 1 . 114 . 1 1 8 LYS CD C 4.139 12.448 11.058 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CD . . . . . . . . . c34215_6f7o 1 . 1 . 115 . 1 1 8 LYS CE C 4.214 12.900 12.508 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CE . . . . . . . . . c34215_6f7o 1 . 1 . 116 . 1 1 8 LYS CG C 3.495 11.078 10.934 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CG . . . . . . . . . c34215_6f7o 1 . 1 . 117 . 1 1 8 LYS H H 0.963 10.671 7.863 . . . 1.0 . . . . . . . . . . . . A . 8 LYS H . . . . . . . . . c34215_6f7o 1 . 1 . 118 . 1 1 8 LYS HA H 2.737 12.689 8.576 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HA . . . . . . . . . c34215_6f7o 1 . 1 . 119 . 1 1 8 LYS HB2 H 1.559 11.720 10.348 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB2 . . . . . . . . . c34215_6f7o 1 . 1 . 120 . 1 1 8 LYS HB3 H 1.966 10.083 9.850 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB3 . . . . . . . . . c34215_6f7o 1 . 1 . 121 . 1 1 8 LYS HD2 H 5.140 12.405 10.655 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD2 . . . . . . . . . c34215_6f7o 1 . 1 . 122 . 1 1 8 LYS HD3 H 3.554 13.163 10.497 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD3 . . . . . . . . . c34215_6f7o 1 . 1 . 123 . 1 1 8 LYS HE2 H 4.475 13.947 12.534 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE2 . . . . . . . . . c34215_6f7o 1 . 1 . 124 . 1 1 8 LYS HE3 H 3.245 12.762 12.966 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE3 . . . . . . . . . c34215_6f7o 1 . 1 . 125 . 1 1 8 LYS HG2 H 3.125 10.778 11.902 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG2 . . . . . . . . . c34215_6f7o 1 . 1 . 126 . 1 1 8 LYS HG3 H 4.238 10.371 10.596 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG3 . . . . . . . . . c34215_6f7o 1 . 1 . 127 . 1 1 8 LYS HZ1 H 5.722 11.463 12.651 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ1 . . . . . . . . . c34215_6f7o 1 . 1 . 128 . 1 1 8 LYS HZ2 H 4.765 11.591 14.040 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ2 . . . . . . . . . c34215_6f7o 1 . 1 . 129 . 1 1 8 LYS HZ3 H 5.926 12.776 13.701 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ3 . . . . . . . . . c34215_6f7o 1 . 1 . 130 . 1 1 8 LYS N N 1.746 11.186 7.570 . . . 1.0 . . . . . . . . . . . . A . 8 LYS N . . . . . . . . . c34215_6f7o 1 . 1 . 131 . 1 1 8 LYS NZ N 5.227 12.129 13.279 . . . 1.0 . . . . . . . . . . . . A . 8 LYS NZ . . . . . . . . . c34215_6f7o 1 . 1 . 132 . 1 1 8 LYS O O 5.092 11.869 8.223 . . . 1.0 . . . . . . . . . . . . A . 8 LYS O . . . . . . . . . c34215_6f7o 1 . 1 . 133 . 1 1 9 LEU C C 5.969 9.779 6.115 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . c34215_6f7o 1 . 1 . 134 . 1 1 9 LEU CA C 5.490 9.235 7.459 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . c34215_6f7o 1 . 1 . 135 . 1 1 9 LEU CB C 5.359 7.712 7.389 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . c34215_6f7o 1 . 1 . 136 . 1 1 9 LEU CD1 C 5.192 5.604 8.735 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . c34215_6f7o 1 . 1 . 137 . 1 1 9 LEU CD2 C 7.409 6.724 8.441 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . c34215_6f7o 1 . 1 . 138 . 1 1 9 LEU CG C 5.911 6.937 8.587 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . c34215_6f7o 1 . 1 . 139 . 1 1 9 LEU H H 3.406 9.280 7.829 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . c34215_6f7o 1 . 1 . 140 . 1 1 9 LEU HA H 6.214 9.494 8.216 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . c34215_6f7o 1 . 1 . 141 . 1 1 9 LEU HB2 H 4.312 7.475 7.294 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . c34215_6f7o 1 . 1 . 142 . 1 1 9 LEU HB3 H 5.886 7.377 6.507 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . c34215_6f7o 1 . 1 . 143 . 1 1 9 LEU HD11 H 5.406 5.188 9.707 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . c34215_6f7o 1 . 1 . 144 . 1 1 9 LEU HD12 H 5.534 4.924 7.968 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . c34215_6f7o 1 . 1 . 145 . 1 1 9 LEU HD13 H 4.127 5.756 8.632 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . c34215_6f7o 1 . 1 . 146 . 1 1 9 LEU HD21 H 7.790 7.368 7.660 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . c34215_6f7o 1 . 1 . 147 . 1 1 9 LEU HD22 H 7.603 5.693 8.184 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . c34215_6f7o 1 . 1 . 148 . 1 1 9 LEU HD23 H 7.900 6.962 9.374 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . c34215_6f7o 1 . 1 . 149 . 1 1 9 LEU HG H 5.737 7.509 9.488 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . c34215_6f7o 1 . 1 . 150 . 1 1 9 LEU N N 4.215 9.835 7.836 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . c34215_6f7o 1 . 1 . 151 . 1 1 9 LEU O O 7.176 9.877 5.904 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . c34215_6f7o 1 . 1 . 152 . 1 1 10 . C C 5.989 11.991 4.055 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 C . . . . . . . . . c34215_6f7o 1 . 1 . 153 . 1 1 10 . CA C 5.370 10.605 3.806 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 CA . . . . . . . . . c34215_6f7o 1 . 1 . 154 . 1 1 10 . CB C 4.074 10.832 2.954 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 CB . . . . . . . . . c34215_6f7o 1 . 1 . 155 . 1 1 10 . CB1 C 6.339 9.705 2.989 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 CB1 . . . . . . . . . c34215_6f7o 1 . 1 . 156 . 1 1 10 . CD C 2.109 9.890 1.611 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 CD . . . . . . . . . c34215_6f7o 1 . 1 . 157 . 1 1 10 . CE C 1.586 8.720 0.801 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 CE . . . . . . . . . c34215_6f7o 1 . 1 . 158 . 1 1 10 . CG C 3.497 9.589 2.220 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 CG . . . . . . . . . c34215_6f7o 1 . 1 . 159 . 1 1 10 . HB H 3.301 11.258 3.586 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HB . . . . . . . . . c34215_6f7o 1 . 1 . 160 . 1 1 10 . HB1 H 5.946 8.692 2.879 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HB1 . . . . . . . . . c34215_6f7o 1 . 1 . 161 . 1 1 10 . HB1A H 6.516 10.119 1.992 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HB1A . . . . . . . . . c34215_6f7o 1 . 1 . 162 . 1 1 10 . HB1B H 7.303 9.607 3.479 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HB1B . . . . . . . . . c34215_6f7o 1 . 1 . 163 . 1 1 10 . HBA H 4.289 11.585 2.192 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HBA . . . . . . . . . c34215_6f7o 1 . 1 . 164 . 1 1 10 . HD H 1.415 10.166 2.399 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HD . . . . . . . . . c34215_6f7o 1 . 1 . 165 . 1 1 10 . HDA H 2.192 10.759 0.952 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HDA . . . . . . . . . c34215_6f7o 1 . 1 . 166 . 1 1 10 . HE H 2.058 8.595 -0.173 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HE . . . . . . . . . c34215_6f7o 1 . 1 . 167 . 1 1 10 . HG H 4.169 9.295 1.410 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HG . . . . . . . . . c34215_6f7o 1 . 1 . 168 . 1 1 10 . HGA H 3.422 8.736 2.896 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HGA . . . . . . . . . c34215_6f7o 1 . 1 . 169 . 1 1 10 . HN H 4.099 9.799 5.326 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HN . . . . . . . . . c34215_6f7o 1 . 1 . 170 . 1 1 10 . N N 5.067 9.985 5.124 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 N . . . . . . . . . c34215_6f7o 1 . 1 . 171 . 1 1 10 . O O 6.969 12.402 3.469 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 O . . . . . . . . . c34215_6f7o 1 . 1 . 172 . 1 1 11 GLN C C 7.167 13.951 6.175 . . . 1.0 . . . . . . . . . . . . A . 11 GLN C . . . . . . . . . c34215_6f7o 1 . 1 . 173 . 1 1 11 GLN CA C 5.816 14.040 5.473 . . . 1.0 . . . . . . . . . . . . A . 11 GLN CA . . . . . . . . . c34215_6f7o 1 . 1 . 174 . 1 1 11 GLN CB C 4.777 14.649 6.418 . . . 1.0 . . . . . . . . . . . . A . 11 GLN CB . . . . . . . . . c34215_6f7o 1 . 1 . 175 . 1 1 11 GLN CD C 5.253 16.874 7.514 . . . 1.0 . . . . . . . . . . . . A . 11 GLN CD . . . . . . . . . c34215_6f7o 1 . 1 . 176 . 1 1 11 GLN CG C 4.668 16.161 6.311 . . . 1.0 . . . . . . . . . . . . A . 11 GLN CG . . . . . . . . . c34215_6f7o 1 . 1 . 177 . 1 1 11 GLN H H 4.528 12.368 5.342 . . . 1.0 . . . . . . . . . . . . A . 11 GLN H . . . . . . . . . c34215_6f7o 1 . 1 . 178 . 1 1 11 GLN HA H 5.916 14.678 4.606 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HA . . . . . . . . . c34215_6f7o 1 . 1 . 179 . 1 1 11 GLN HB2 H 3.810 14.222 6.194 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HB2 . . . . . . . . . c34215_6f7o 1 . 1 . 180 . 1 1 11 GLN HB3 H 5.044 14.400 7.435 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HB3 . . . . . . . . . c34215_6f7o 1 . 1 . 181 . 1 1 11 GLN HE21 H 3.752 16.241 8.653 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HE21 . . . . . . . . . c34215_6f7o 1 . 1 . 182 . 1 1 11 GLN HE22 H 4.934 17.218 9.445 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HE22 . . . . . . . . . c34215_6f7o 1 . 1 . 183 . 1 1 11 GLN HG2 H 5.195 16.485 5.426 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HG2 . . . . . . . . . c34215_6f7o 1 . 1 . 184 . 1 1 11 GLN HG3 H 3.625 16.428 6.225 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HG3 . . . . . . . . . c34215_6f7o 1 . 1 . 185 . 1 1 11 GLN N N 5.378 12.728 5.016 . . . 1.0 . . . . . . . . . . . . A . 11 GLN N . . . . . . . . . c34215_6f7o 1 . 1 . 186 . 1 1 11 GLN NE2 N 4.578 16.768 8.653 . . . 1.0 . . . . . . . . . . . . A . 11 GLN NE2 . . . . . . . . . c34215_6f7o 1 . 1 . 187 . 1 1 11 GLN O O 7.897 14.937 6.266 . . . 1.0 . . . . . . . . . . . . A . 11 GLN O . . . . . . . . . c34215_6f7o 1 . 1 . 188 . 1 1 11 GLN OE1 O 6.301 17.516 7.420 . . . 1.0 . . . . . . . . . . . . A . 11 GLN OE1 . . . . . . . . . c34215_6f7o 1 . 1 . 189 . 1 1 12 ALA C C 9.916 12.454 6.371 . . . 1.0 . . . . . . . . . . . . A . 12 ALA C . . . . . . . . . c34215_6f7o 1 . 1 . 190 . 1 1 12 ALA CA C 8.757 12.540 7.359 . . . 1.0 . . . . . . . . . . . . A . 12 ALA CA . . . . . . . . . c34215_6f7o 1 . 1 . 191 . 1 1 12 ALA CB C 8.684 11.277 8.203 . . . 1.0 . . . . . . . . . . . . A . 12 ALA CB . . . . . . . . . c34215_6f7o 1 . 1 . 192 . 1 1 12 ALA H H 6.868 12.012 6.563 . . . 1.0 . . . . . . . . . . . . A . 12 ALA H . . . . . . . . . c34215_6f7o 1 . 1 . 193 . 1 1 12 ALA HA H 8.925 13.378 8.023 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HA . . . . . . . . . c34215_6f7o 1 . 1 . 194 . 1 1 12 ALA HB1 H 8.867 10.416 7.577 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB1 . . . . . . . . . c34215_6f7o 1 . 1 . 195 . 1 1 12 ALA HB2 H 9.429 11.322 8.984 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB2 . . . . . . . . . c34215_6f7o 1 . 1 . 196 . 1 1 12 ALA HB3 H 7.702 11.196 8.646 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB3 . . . . . . . . . c34215_6f7o 1 . 1 . 197 . 1 1 12 ALA N N 7.493 12.761 6.669 . . . 1.0 . . . . . . . . . . . . A . 12 ALA N . . . . . . . . . c34215_6f7o 1 . 1 . 198 . 1 1 12 ALA O O 11.028 12.890 6.664 . . . 1.0 . . . . . . . . . . . . A . 12 ALA O . . . . . . . . . c34215_6f7o 1 . 1 . 199 . 1 1 13 ALA C C 10.971 13.082 3.508 . . . 1.0 . . . . . . . . . . . . A . 13 ALA C . . . . . . . . . c34215_6f7o 1 . 1 . 200 . 1 1 13 ALA CA C 10.666 11.742 4.168 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CA . . . . . . . . . c34215_6f7o 1 . 1 . 201 . 1 1 13 ALA CB C 10.222 10.727 3.126 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CB . . . . . . . . . c34215_6f7o 1 . 1 . 202 . 1 1 13 ALA H H 8.740 11.556 5.027 . . . 1.0 . . . . . . . . . . . . A . 13 ALA H . . . . . . . . . c34215_6f7o 1 . 1 . 203 . 1 1 13 ALA HA H 11.565 11.370 4.638 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HA . . . . . . . . . c34215_6f7o 1 . 1 . 204 . 1 1 13 ALA HB1 H 10.054 11.228 2.185 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB1 . . . . . . . . . c34215_6f7o 1 . 1 . 205 . 1 1 13 ALA HB2 H 10.990 9.977 3.003 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB2 . . . . . . . . . c34215_6f7o 1 . 1 . 206 . 1 1 13 ALA HB3 H 9.307 10.254 3.450 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB3 . . . . . . . . . c34215_6f7o 1 . 1 . 207 . 1 1 13 ALA N N 9.645 11.885 5.199 . . . 1.0 . . . . . . . . . . . . A . 13 ALA N . . . . . . . . . c34215_6f7o 1 . 1 . 208 . 1 1 13 ALA O O 10.078 13.904 3.310 . . . 1.0 . . . . . . . . . . . . A . 13 ALA O . . . . . . . . . c34215_6f7o 1 . 1 . 209 . 1 1 14 ARG C C 12.963 14.315 1.056 . . . 1.0 . . . . . . . . . . . . A . 14 ARG C . . . . . . . . . c34215_6f7o 1 . 1 . 210 . 1 1 14 ARG CA C 12.661 14.537 2.534 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CA . . . . . . . . . c34215_6f7o 1 . 1 . 211 . 1 1 14 ARG CB C 13.898 15.099 3.239 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CB . . . . . . . . . c34215_6f7o 1 . 1 . 212 . 1 1 14 ARG CD C 14.974 17.038 4.422 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CD . . . . . . . . . c34215_6f7o 1 . 1 . 213 . 1 1 14 ARG CG C 13.726 16.534 3.717 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CG . . . . . . . . . c34215_6f7o 1 . 1 . 214 . 1 1 14 ARG CZ C 17.125 18.039 3.777 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CZ . . . . . . . . . c34215_6f7o 1 . 1 . 215 . 1 1 14 ARG H H 12.906 12.600 3.355 . . . 1.0 . . . . . . . . . . . . A . 14 ARG H . . . . . . . . . c34215_6f7o 1 . 1 . 216 . 1 1 14 ARG HA H 11.854 15.246 2.623 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HA . . . . . . . . . c34215_6f7o 1 . 1 . 217 . 1 1 14 ARG HB2 H 14.122 14.483 4.096 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB2 . . . . . . . . . c34215_6f7o 1 . 1 . 218 . 1 1 14 ARG HB3 H 14.732 15.068 2.555 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB3 . . . . . . . . . c34215_6f7o 1 . 1 . 219 . 1 1 14 ARG HD2 H 14.677 17.676 5.241 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD2 . . . . . . . . . c34215_6f7o 1 . 1 . 220 . 1 1 14 ARG HD3 H 15.521 16.190 4.809 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD3 . . . . . . . . . c34215_6f7o 1 . 1 . 221 . 1 1 14 ARG HE H 15.453 18.133 2.695 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HE . . . . . . . . . c34215_6f7o 1 . 1 . 222 . 1 1 14 ARG HG2 H 13.528 17.166 2.864 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG2 . . . . . . . . . c34215_6f7o 1 . 1 . 223 . 1 1 14 ARG HG3 H 12.892 16.576 4.400 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG3 . . . . . . . . . c34215_6f7o 1 . 1 . 224 . 1 1 14 ARG HH11 H 18.646 17.777 5.082 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH11 . . . . . . . . . c34215_6f7o 1 . 1 . 225 . 1 1 14 ARG HH12 H 17.138 17.067 5.548 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH12 . . . . . . . . . c34215_6f7o 1 . 1 . 226 . 1 1 14 ARG HH21 H 18.813 18.918 3.102 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH21 . . . . . . . . . c34215_6f7o 1 . 1 . 227 . 1 1 14 ARG HH22 H 17.434 19.073 2.068 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH22 . . . . . . . . . c34215_6f7o 1 . 1 . 228 . 1 1 14 ARG N N 12.238 13.295 3.170 . . . 1.0 . . . . . . . . . . . . A . 14 ARG N . . . . . . . . . c34215_6f7o 1 . 1 . 229 . 1 1 14 ARG NE N 15.843 17.793 3.525 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NE . . . . . . . . . c34215_6f7o 1 . 1 . 230 . 1 1 14 ARG NH1 N 17.682 17.592 4.893 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH1 . . . . . . . . . c34215_6f7o 1 . 1 . 231 . 1 1 14 ARG NH2 N 17.850 18.734 2.911 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH2 . . . . . . . . . c34215_6f7o 1 . 1 . 232 . 1 1 14 ARG O O 13.346 13.208 0.678 . . . 1.0 . . . . . . . . . . . . A . 14 ARG O . . . . . . . . . c34215_6f7o 1 . 1 . 233 . 1 1 15 NH2 HN1 H 12.468 16.228 0.638 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 HN1 . . . . . . . . . c34215_6f7o 1 . 1 . 234 . 1 1 15 NH2 HN2 H 12.964 15.275 -0.721 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 HN2 . . . . . . . . . c34215_6f7o 1 . 1 . 235 . 1 1 15 NH2 N N 12.783 15.358 0.258 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 N . . . . . . . . . c34215_6f7o 1 . 2 . 236 . 1 1 1 ACE C C -5.492 2.654 8.697 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . c34215_6f7o 1 . 2 . 237 . 1 1 1 ACE CH3 C -6.143 1.437 8.132 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . c34215_6f7o 1 . 2 . 238 . 1 1 1 ACE H1 H -7.041 1.725 7.588 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . c34215_6f7o 1 . 2 . 239 . 1 1 1 ACE H2 H -5.451 0.936 7.457 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . c34215_6f7o 1 . 2 . 240 . 1 1 1 ACE H3 H -6.412 0.761 8.943 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . c34215_6f7o 1 . 2 . 241 . 1 1 1 ACE O O -4.311 2.920 8.481 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . c34215_6f7o 1 . 2 . 242 . 1 1 2 ASP C C -5.170 5.572 9.024 . . . 1.0 . . . . . . . . . . . . A . 2 ASP C . . . . . . . . . c34215_6f7o 1 . 2 . 243 . 1 1 2 ASP CA C -5.794 4.645 10.064 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CA . . . . . . . . . c34215_6f7o 1 . 2 . 244 . 1 1 2 ASP CB C -4.771 4.316 11.152 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CB . . . . . . . . . c34215_6f7o 1 . 2 . 245 . 1 1 2 ASP CG C -4.436 5.518 12.014 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CG . . . . . . . . . c34215_6f7o 1 . 2 . 246 . 1 1 2 ASP H H -7.217 3.153 9.576 . . . 1.0 . . . . . . . . . . . . A . 2 ASP H . . . . . . . . . c34215_6f7o 1 . 2 . 247 . 1 1 2 ASP HA H -6.639 5.145 10.515 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HA . . . . . . . . . c34215_6f7o 1 . 2 . 248 . 1 1 2 ASP HB2 H -5.168 3.538 11.789 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HB2 . . . . . . . . . c34215_6f7o 1 . 2 . 249 . 1 1 2 ASP HB3 H -3.861 3.965 10.688 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HB3 . . . . . . . . . c34215_6f7o 1 . 2 . 250 . 1 1 2 ASP N N -6.283 3.419 9.441 . . . 1.0 . . . . . . . . . . . . A . 2 ASP N . . . . . . . . . c34215_6f7o 1 . 2 . 251 . 1 1 2 ASP O O -3.957 5.773 8.986 . . . 1.0 . . . . . . . . . . . . A . 2 ASP O . . . . . . . . . c34215_6f7o 1 . 2 . 252 . 1 1 2 ASP OD1 O -3.234 5.768 12.245 . . . 1.0 . . . . . . . . . . . . A . 2 ASP OD1 . . . . . . . . . c34215_6f7o 1 . 2 . 253 . 1 1 2 ASP OD2 O -5.376 6.211 12.456 . . . 1.0 . . . . . . . . . . . . A . 2 ASP OD2 . . . . . . . . . c34215_6f7o 1 . 2 . 254 . 1 1 3 PRO C C -5.081 8.393 7.660 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . c34215_6f7o 1 . 2 . 255 . 1 1 3 PRO CA C -5.573 7.062 7.105 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . c34215_6f7o 1 . 2 . 256 . 1 1 3 PRO CB C -6.833 7.270 6.260 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . c34215_6f7o 1 . 2 . 257 . 1 1 3 PRO CD C -7.478 5.953 8.148 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . c34215_6f7o 1 . 2 . 258 . 1 1 3 PRO CG C -7.963 7.012 7.196 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . c34215_6f7o 1 . 2 . 259 . 1 1 3 PRO HA H -4.800 6.619 6.496 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . c34215_6f7o 1 . 2 . 260 . 1 1 3 PRO HB2 H -6.855 8.283 5.883 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . c34215_6f7o 1 . 2 . 261 . 1 1 3 PRO HB3 H -6.837 6.574 5.436 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . c34215_6f7o 1 . 2 . 262 . 1 1 3 PRO HD2 H -7.898 6.110 9.132 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . c34215_6f7o 1 . 2 . 263 . 1 1 3 PRO HD3 H -7.732 4.970 7.781 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . c34215_6f7o 1 . 2 . 264 . 1 1 3 PRO HG2 H -8.211 7.914 7.733 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . c34215_6f7o 1 . 2 . 265 . 1 1 3 PRO HG3 H -8.821 6.654 6.645 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . c34215_6f7o 1 . 2 . 266 . 1 1 3 PRO N N -6.019 6.147 8.160 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . c34215_6f7o 1 . 2 . 267 . 1 1 3 PRO O O -5.829 9.368 7.713 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . c34215_6f7o 1 . 2 . 268 . 1 1 4 GLN C C -1.728 9.457 8.854 . . . 1.0 . . . . . . . . . . . . A . 4 GLN C . . . . . . . . . c34215_6f7o 1 . 2 . 269 . 1 1 4 GLN CA C -3.225 9.638 8.626 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CA . . . . . . . . . c34215_6f7o 1 . 2 . 270 . 1 1 4 GLN CB C -3.913 10.015 9.939 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CB . . . . . . . . . c34215_6f7o 1 . 2 . 271 . 1 1 4 GLN CD C -2.628 11.548 11.481 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CD . . . . . . . . . c34215_6f7o 1 . 2 . 272 . 1 1 4 GLN CG C -3.655 11.448 10.372 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CG . . . . . . . . . c34215_6f7o 1 . 2 . 273 . 1 1 4 GLN H H -3.271 7.616 8.006 . . . 1.0 . . . . . . . . . . . . A . 4 GLN H . . . . . . . . . c34215_6f7o 1 . 2 . 274 . 1 1 4 GLN HA H -3.374 10.435 7.912 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HA . . . . . . . . . c34215_6f7o 1 . 2 . 275 . 1 1 4 GLN HB2 H -4.978 9.880 9.825 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HB2 . . . . . . . . . c34215_6f7o 1 . 2 . 276 . 1 1 4 GLN HB3 H -3.555 9.357 10.718 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HB3 . . . . . . . . . c34215_6f7o 1 . 2 . 277 . 1 1 4 GLN HE21 H -1.531 12.792 10.389 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HE21 . . . . . . . . . c34215_6f7o 1 . 2 . 278 . 1 1 4 GLN HE22 H -0.903 12.414 11.953 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HE22 . . . . . . . . . c34215_6f7o 1 . 2 . 279 . 1 1 4 GLN HG2 H -3.296 12.009 9.521 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HG2 . . . . . . . . . c34215_6f7o 1 . 2 . 280 . 1 1 4 GLN HG3 H -4.583 11.878 10.717 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HG3 . . . . . . . . . c34215_6f7o 1 . 2 . 281 . 1 1 4 GLN N N -3.817 8.427 8.072 . . . 1.0 . . . . . . . . . . . . A . 4 GLN N . . . . . . . . . c34215_6f7o 1 . 2 . 282 . 1 1 4 GLN NE2 N -1.580 12.330 11.252 . . . 1.0 . . . . . . . . . . . . A . 4 GLN NE2 . . . . . . . . . c34215_6f7o 1 . 2 . 283 . 1 1 4 GLN O O -0.934 10.360 8.584 . . . 1.0 . . . . . . . . . . . . A . 4 GLN O . . . . . . . . . c34215_6f7o 1 . 2 . 284 . 1 1 4 GLN OE1 O -2.776 10.931 12.537 . . . 1.0 . . . . . . . . . . . . A . 4 GLN OE1 . . . . . . . . . c34215_6f7o 1 . 2 . 285 . 1 1 5 HIS C C 0.829 7.814 8.316 . . . 1.0 . . . . . . . . . . . . A . 5 HIS C . . . . . . . . . c34215_6f7o 1 . 2 . 286 . 1 1 5 HIS CA C 0.055 7.986 9.619 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CA . . . . . . . . . c34215_6f7o 1 . 2 . 287 . 1 1 5 HIS CB C 0.177 6.721 10.469 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CB . . . . . . . . . c34215_6f7o 1 . 2 . 288 . 1 1 5 HIS CD2 C 1.876 7.507 12.264 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CD2 . . . . . . . . . c34215_6f7o 1 . 2 . 289 . 1 1 5 HIS CE1 C 3.352 5.902 12.030 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CE1 . . . . . . . . . c34215_6f7o 1 . 2 . 290 . 1 1 5 HIS CG C 1.423 6.674 11.297 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CG . . . . . . . . . c34215_6f7o 1 . 2 . 291 . 1 1 5 HIS H H -2.027 7.606 9.549 . . . 1.0 . . . . . . . . . . . . A . 5 HIS H . . . . . . . . . c34215_6f7o 1 . 2 . 292 . 1 1 5 HIS HA H 0.474 8.818 10.165 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HA . . . . . . . . . c34215_6f7o 1 . 2 . 293 . 1 1 5 HIS HB2 H -0.669 6.663 11.138 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB2 . . . . . . . . . c34215_6f7o 1 . 2 . 294 . 1 1 5 HIS HB3 H 0.174 5.858 9.819 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB3 . . . . . . . . . c34215_6f7o 1 . 2 . 295 . 1 1 5 HIS HD1 H 2.327 4.921 10.555 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD1 . . . . . . . . . c34215_6f7o 1 . 2 . 296 . 1 1 5 HIS HD2 H 1.387 8.401 12.620 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD2 . . . . . . . . . c34215_6f7o 1 . 2 . 297 . 1 1 5 HIS HE1 H 4.230 5.287 12.158 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HE1 . . . . . . . . . c34215_6f7o 1 . 2 . 298 . 1 1 5 HIS N N -1.349 8.286 9.353 . . . 1.0 . . . . . . . . . . . . A . 5 HIS N . . . . . . . . . c34215_6f7o 1 . 2 . 299 . 1 1 5 HIS ND1 N 2.370 5.679 11.175 . . . 1.0 . . . . . . . . . . . . A . 5 HIS ND1 . . . . . . . . . c34215_6f7o 1 . 2 . 300 . 1 1 5 HIS NE2 N 3.077 7.005 12.703 . . . 1.0 . . . . . . . . . . . . A . 5 HIS NE2 . . . . . . . . . c34215_6f7o 1 . 2 . 301 . 1 1 5 HIS O O 2.044 8.008 8.309 . . . 1.0 . . . . . . . . . . . . A . 5 HIS O . . . . . . . . . c34215_6f7o 1 . 2 . 302 . 1 1 6 . C C 1.335 8.538 5.508 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 C . . . . . . . . . c34215_6f7o 1 . 2 . 303 . 1 1 6 . CA C 0.766 7.170 5.897 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 CA . . . . . . . . . c34215_6f7o 1 . 2 . 304 . 1 1 6 . CB C -0.340 6.755 4.874 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 CB . . . . . . . . . c34215_6f7o 1 . 2 . 305 . 1 1 6 . CB1 C 1.857 6.054 5.922 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 CB1 . . . . . . . . . c34215_6f7o 1 . 2 . 306 . 1 1 6 . CD C -0.197 7.905 2.544 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 CD . . . . . . . . . c34215_6f7o 1 . 2 . 307 . 1 1 6 . CE C 0.576 7.876 1.241 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 CE . . . . . . . . . c34215_6f7o 1 . 2 . 308 . 1 1 6 . CG C 0.139 6.663 3.396 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 CG . . . . . . . . . c34215_6f7o 1 . 2 . 309 . 1 1 6 . HB H -0.722 5.772 5.169 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HB . . . . . . . . . c34215_6f7o 1 . 2 . 310 . 1 1 6 . HB1 H 2.561 6.184 6.743 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HB1 . . . . . . . . . c34215_6f7o 1 . 2 . 311 . 1 1 6 . HB1A H 1.401 5.070 6.049 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HB1A . . . . . . . . . c34215_6f7o 1 . 2 . 312 . 1 1 6 . HB1B H 2.452 6.035 5.007 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HB1B . . . . . . . . . c34215_6f7o 1 . 2 . 313 . 1 1 6 . HBA H -1.197 7.431 4.943 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HBA . . . . . . . . . c34215_6f7o 1 . 2 . 314 . 1 1 6 . HD H -1.268 7.901 2.328 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HD . . . . . . . . . c34215_6f7o 1 . 2 . 315 . 1 1 6 . HDA H 0.003 8.814 3.102 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HDA . . . . . . . . . c34215_6f7o 1 . 2 . 316 . 1 1 6 . HE H 0.285 7.083 0.559 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HE . . . . . . . . . c34215_6f7o 1 . 2 . 317 . 1 1 6 . HG H 1.213 6.494 3.340 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HG . . . . . . . . . c34215_6f7o 1 . 2 . 318 . 1 1 6 . HGA H -0.326 5.789 2.933 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HGA . . . . . . . . . c34215_6f7o 1 . 2 . 319 . 1 1 6 . HN H -0.787 7.020 7.368 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HN . . . . . . . . . c34215_6f7o 1 . 2 . 320 . 1 1 6 . N N 0.176 7.302 7.245 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 N . . . . . . . . . c34215_6f7o 1 . 2 . 321 . 1 1 6 . O O 2.501 8.727 5.252 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 O . . . . . . . . . c34215_6f7o 1 . 2 . 322 . 1 1 7 ARG C C 1.879 11.476 6.302 . . . 1.0 . . . . . . . . . . . . A . 7 ARG C . . . . . . . . . c34215_6f7o 1 . 2 . 323 . 1 1 7 ARG CA C 0.770 10.974 5.381 . . . 1.0 . . . . . . . . . . . . A . 7 ARG CA . . . . . . . . . c34215_6f7o 1 . 2 . 324 . 1 1 7 ARG CB C -0.484 11.828 5.562 . . . 1.0 . . . . . . . . . . . . A . 7 ARG CB . . . . . . . . . c34215_6f7o 1 . 2 . 325 . 1 1 7 ARG CD C -1.177 14.244 5.565 . . . 1.0 . . . . . . . . . . . . A . 7 ARG CD . . . . . . . . . c34215_6f7o 1 . 2 . 326 . 1 1 7 ARG CG C -0.435 13.150 4.815 . . . 1.0 . . . . . . . . . . . . A . 7 ARG CG . . . . . . . . . c34215_6f7o 1 . 2 . 327 . 1 1 7 ARG CZ C -2.615 16.177 5.070 . . . 1.0 . . . . . . . . . . . . A . 7 ARG CZ . . . . . . . . . c34215_6f7o 1 . 2 . 328 . 1 1 7 ARG H H -0.442 9.318 5.903 . . . 1.0 . . . . . . . . . . . . A . 7 ARG H . . . . . . . . . c34215_6f7o 1 . 2 . 329 . 1 1 7 ARG HA H 1.105 11.053 4.358 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HA . . . . . . . . . c34215_6f7o 1 . 2 . 330 . 1 1 7 ARG HB2 H -1.340 11.274 5.208 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HB2 . . . . . . . . . c34215_6f7o 1 . 2 . 331 . 1 1 7 ARG HB3 H -0.613 12.040 6.614 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HB3 . . . . . . . . . c34215_6f7o 1 . 2 . 332 . 1 1 7 ARG HD2 H -1.911 13.787 6.211 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HD2 . . . . . . . . . c34215_6f7o 1 . 2 . 333 . 1 1 7 ARG HD3 H -0.468 14.797 6.165 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HD3 . . . . . . . . . c34215_6f7o 1 . 2 . 334 . 1 1 7 ARG HE H -1.731 15.031 3.697 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HE . . . . . . . . . c34215_6f7o 1 . 2 . 335 . 1 1 7 ARG HG2 H 0.597 13.448 4.698 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HG2 . . . . . . . . . c34215_6f7o 1 . 2 . 336 . 1 1 7 ARG HG3 H -0.887 13.022 3.843 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HG3 . . . . . . . . . c34215_6f7o 1 . 2 . 337 . 1 1 7 ARG HH11 H -3.370 17.148 6.672 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HH11 . . . . . . . . . c34215_6f7o 1 . 2 . 338 . 1 1 7 ARG HH12 H -2.359 15.789 7.037 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HH12 . . . . . . . . . c34215_6f7o 1 . 2 . 339 . 1 1 7 ARG HH21 H -3.770 17.731 4.495 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HH21 . . . . . . . . . c34215_6f7o 1 . 2 . 340 . 1 1 7 ARG HH22 H -3.061 16.818 3.205 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HH22 . . . . . . . . . c34215_6f7o 1 . 2 . 341 . 1 1 7 ARG N N 0.470 9.572 5.647 . . . 1.0 . . . . . . . . . . . . A . 7 ARG N . . . . . . . . . c34215_6f7o 1 . 2 . 342 . 1 1 7 ARG NE N -1.852 15.169 4.658 . . . 1.0 . . . . . . . . . . . . A . 7 ARG NE . . . . . . . . . c34215_6f7o 1 . 2 . 343 . 1 1 7 ARG NH1 N -2.796 16.389 6.364 . . . 1.0 . . . . . . . . . . . . A . 7 ARG NH1 . . . . . . . . . c34215_6f7o 1 . 2 . 344 . 1 1 7 ARG NH2 N -3.197 16.975 4.184 . . . 1.0 . . . . . . . . . . . . A . 7 ARG NH2 . . . . . . . . . c34215_6f7o 1 . 2 . 345 . 1 1 7 ARG O O 2.836 12.103 5.852 . . . 1.0 . . . . . . . . . . . . A . 7 ARG O . . . . . . . . . c34215_6f7o 1 . 2 . 346 . 1 1 8 LYS C C 4.120 11.120 8.202 . . . 1.0 . . . . . . . . . . . . A . 8 LYS C . . . . . . . . . c34215_6f7o 1 . 2 . 347 . 1 1 8 LYS CA C 2.730 11.621 8.579 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CA . . . . . . . . . c34215_6f7o 1 . 2 . 348 . 1 1 8 LYS CB C 2.349 11.104 9.968 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CB . . . . . . . . . c34215_6f7o 1 . 2 . 349 . 1 1 8 LYS CD C 4.156 12.457 11.070 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CD . . . . . . . . . c34215_6f7o 1 . 2 . 350 . 1 1 8 LYS CE C 4.297 12.880 12.524 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CE . . . . . . . . . c34215_6f7o 1 . 2 . 351 . 1 1 8 LYS CG C 3.507 11.087 10.950 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CG . . . . . . . . . c34215_6f7o 1 . 2 . 352 . 1 1 8 LYS H H 0.954 10.693 7.892 . . . 1.0 . . . . . . . . . . . . A . 8 LYS H . . . . . . . . . c34215_6f7o 1 . 2 . 353 . 1 1 8 LYS HA H 2.739 12.699 8.595 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HA . . . . . . . . . c34215_6f7o 1 . 2 . 354 . 1 1 8 LYS HB2 H 1.571 11.734 10.371 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB2 . . . . . . . . . c34215_6f7o 1 . 2 . 355 . 1 1 8 LYS HB3 H 1.971 10.095 9.872 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB3 . . . . . . . . . c34215_6f7o 1 . 2 . 356 . 1 1 8 LYS HD2 H 5.137 12.421 10.621 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD2 . . . . . . . . . c34215_6f7o 1 . 2 . 357 . 1 1 8 LYS HD3 H 3.543 13.181 10.552 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD3 . . . . . . . . . c34215_6f7o 1 . 2 . 358 . 1 1 8 LYS HE2 H 4.624 13.909 12.557 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE2 . . . . . . . . . c34215_6f7o 1 . 2 . 359 . 1 1 8 LYS HE3 H 3.334 12.792 13.008 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE3 . . . . . . . . . c34215_6f7o 1 . 2 . 360 . 1 1 8 LYS HG2 H 3.142 10.787 11.919 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG2 . . . . . . . . . c34215_6f7o 1 . 2 . 361 . 1 1 8 LYS HG3 H 4.246 10.377 10.607 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG3 . . . . . . . . . c34215_6f7o 1 . 2 . 362 . 1 1 8 LYS HZ1 H 6.251 12.299 12.977 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ1 . . . . . . . . . c34215_6f7o 1 . 2 . 363 . 1 1 8 LYS HZ2 H 5.131 11.033 13.028 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ2 . . . . . . . . . c34215_6f7o 1 . 2 . 364 . 1 1 8 LYS HZ3 H 5.179 12.169 14.280 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ3 . . . . . . . . . c34215_6f7o 1 . 2 . 365 . 1 1 8 LYS N N 1.740 11.197 7.594 . . . 1.0 . . . . . . . . . . . . A . 8 LYS N . . . . . . . . . c34215_6f7o 1 . 2 . 366 . 1 1 8 LYS NZ N 5.283 12.036 13.254 . . . 1.0 . . . . . . . . . . . . A . 8 LYS NZ . . . . . . . . . c34215_6f7o 1 . 2 . 367 . 1 1 8 LYS O O 5.093 11.876 8.231 . . . 1.0 . . . . . . . . . . . . A . 8 LYS O . . . . . . . . . c34215_6f7o 1 . 2 . 368 . 1 1 9 LEU C C 5.956 9.782 6.121 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . c34215_6f7o 1 . 2 . 369 . 1 1 9 LEU CA C 5.482 9.241 7.465 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . c34215_6f7o 1 . 2 . 370 . 1 1 9 LEU CB C 5.348 7.719 7.396 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . c34215_6f7o 1 . 2 . 371 . 1 1 9 LEU CD1 C 5.182 5.610 8.741 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . c34215_6f7o 1 . 2 . 372 . 1 1 9 LEU CD2 C 7.401 6.725 8.437 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . c34215_6f7o 1 . 2 . 373 . 1 1 9 LEU CG C 5.903 6.941 8.590 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . c34215_6f7o 1 . 2 . 374 . 1 1 9 LEU H H 3.400 9.288 7.846 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . c34215_6f7o 1 . 2 . 375 . 1 1 9 LEU HA H 6.209 9.496 8.220 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . c34215_6f7o 1 . 2 . 376 . 1 1 9 LEU HB2 H 4.298 7.481 7.305 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . c34215_6f7o 1 . 2 . 377 . 1 1 9 LEU HB3 H 5.869 7.381 6.510 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . c34215_6f7o 1 . 2 . 378 . 1 1 9 LEU HD11 H 5.556 5.095 9.613 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . c34215_6f7o 1 . 2 . 379 . 1 1 9 LEU HD12 H 5.357 5.003 7.864 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . c34215_6f7o 1 . 2 . 380 . 1 1 9 LEU HD13 H 4.122 5.785 8.853 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . c34215_6f7o 1 . 2 . 381 . 1 1 9 LEU HD21 H 7.786 6.236 9.321 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . c34215_6f7o 1 . 2 . 382 . 1 1 9 LEU HD22 H 7.891 7.680 8.312 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . c34215_6f7o 1 . 2 . 383 . 1 1 9 LEU HD23 H 7.590 6.107 7.572 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . c34215_6f7o 1 . 2 . 384 . 1 1 9 LEU HG H 5.736 7.514 9.491 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . c34215_6f7o 1 . 2 . 385 . 1 1 9 LEU N N 4.208 9.842 7.849 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . c34215_6f7o 1 . 2 . 386 . 1 1 9 LEU O O 7.162 9.878 5.903 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . c34215_6f7o 1 . 2 . 387 . 1 1 10 . C C 5.986 12.003 4.063 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 C . . . . . . . . . c34215_6f7o 1 . 2 . 388 . 1 1 10 . CA C 5.370 10.616 3.811 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 CA . . . . . . . . . c34215_6f7o 1 . 2 . 389 . 1 1 10 . CB C 4.083 10.835 2.949 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 CB . . . . . . . . . c34215_6f7o 1 . 2 . 390 . 1 1 10 . CB1 C 6.355 9.725 3.002 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 CB1 . . . . . . . . . c34215_6f7o 1 . 2 . 391 . 1 1 10 . CD C 2.121 9.884 1.618 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 CD . . . . . . . . . c34215_6f7o 1 . 2 . 392 . 1 1 10 . CE C 1.561 8.697 0.858 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 CE . . . . . . . . . c34215_6f7o 1 . 2 . 393 . 1 1 10 . CG C 3.503 9.578 2.241 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 CG . . . . . . . . . c34215_6f7o 1 . 2 . 394 . 1 1 10 . HB H 3.308 11.279 3.569 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HB . . . . . . . . . c34215_6f7o 1 . 2 . 395 . 1 1 10 . HB1 H 5.982 8.702 2.913 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HB1 . . . . . . . . . c34215_6f7o 1 . 2 . 396 . 1 1 10 . HB1A H 6.506 10.127 1.997 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HB1A . . . . . . . . . c34215_6f7o 1 . 2 . 397 . 1 1 10 . HB1B H 7.327 9.668 3.483 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HB1B . . . . . . . . . c34215_6f7o 1 . 2 . 398 . 1 1 10 . HBA H 4.306 11.569 2.170 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HBA . . . . . . . . . c34215_6f7o 1 . 2 . 399 . 1 1 10 . HD H 1.435 10.216 2.393 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HD . . . . . . . . . c34215_6f7o 1 . 2 . 400 . 1 1 10 . HDA H 2.226 10.723 0.926 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HDA . . . . . . . . . c34215_6f7o 1 . 2 . 401 . 1 1 10 . HE H 2.014 8.534 -0.117 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HE . . . . . . . . . c34215_6f7o 1 . 2 . 402 . 1 1 10 . HG H 4.176 9.261 1.439 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HG . . . . . . . . . c34215_6f7o 1 . 2 . 403 . 1 1 10 . HGA H 3.414 8.743 2.937 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HGA . . . . . . . . . c34215_6f7o 1 . 2 . 404 . 1 1 10 . HN H 4.087 9.807 5.325 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HN . . . . . . . . . c34215_6f7o 1 . 2 . 405 . 1 1 10 . N N 5.056 9.993 5.129 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 N . . . . . . . . . c34215_6f7o 1 . 2 . 406 . 1 1 10 . O O 6.983 12.410 3.502 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 O . . . . . . . . . c34215_6f7o 1 . 2 . 407 . 1 1 11 GLN C C 7.179 13.950 6.165 . . . 1.0 . . . . . . . . . . . . A . 11 GLN C . . . . . . . . . c34215_6f7o 1 . 2 . 408 . 1 1 11 GLN CA C 5.818 14.046 5.481 . . . 1.0 . . . . . . . . . . . . A . 11 GLN CA . . . . . . . . . c34215_6f7o 1 . 2 . 409 . 1 1 11 GLN CB C 4.794 14.653 6.441 . . . 1.0 . . . . . . . . . . . . A . 11 GLN CB . . . . . . . . . c34215_6f7o 1 . 2 . 410 . 1 1 11 GLN CD C 4.028 16.326 4.710 . . . 1.0 . . . . . . . . . . . . A . 11 GLN CD . . . . . . . . . c34215_6f7o 1 . 2 . 411 . 1 1 11 GLN CG C 4.470 16.109 6.143 . . . 1.0 . . . . . . . . . . . . A . 11 GLN CG . . . . . . . . . c34215_6f7o 1 . 2 . 412 . 1 1 11 GLN H H 4.519 12.380 5.354 . . . 1.0 . . . . . . . . . . . . A . 11 GLN H . . . . . . . . . c34215_6f7o 1 . 2 . 413 . 1 1 11 GLN HA H 5.910 14.686 4.615 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HA . . . . . . . . . c34215_6f7o 1 . 2 . 414 . 1 1 11 GLN HB2 H 3.880 14.082 6.379 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HB2 . . . . . . . . . c34215_6f7o 1 . 2 . 415 . 1 1 11 GLN HB3 H 5.181 14.591 7.447 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HB3 . . . . . . . . . c34215_6f7o 1 . 2 . 416 . 1 1 11 GLN HE21 H 2.643 14.911 4.896 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HE21 . . . . . . . . . c34215_6f7o 1 . 2 . 417 . 1 1 11 GLN HE22 H 2.725 15.685 3.352 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HE22 . . . . . . . . . c34215_6f7o 1 . 2 . 418 . 1 1 11 GLN HG2 H 3.675 16.429 6.800 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HG2 . . . . . . . . . c34215_6f7o 1 . 2 . 419 . 1 1 11 GLN HG3 H 5.352 16.705 6.328 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HG3 . . . . . . . . . c34215_6f7o 1 . 2 . 420 . 1 1 11 GLN N N 5.371 12.737 5.024 . . . 1.0 . . . . . . . . . . . . A . 11 GLN N . . . . . . . . . c34215_6f7o 1 . 2 . 421 . 1 1 11 GLN NE2 N 3.032 15.563 4.275 . . . 1.0 . . . . . . . . . . . . A . 11 GLN NE2 . . . . . . . . . c34215_6f7o 1 . 2 . 422 . 1 1 11 GLN O O 7.913 14.933 6.250 . . . 1.0 . . . . . . . . . . . . A . 11 GLN O . . . . . . . . . c34215_6f7o 1 . 2 . 423 . 1 1 11 GLN OE1 O 4.575 17.173 4.001 . . . 1.0 . . . . . . . . . . . . A . 11 GLN OE1 . . . . . . . . . c34215_6f7o 1 . 2 . 424 . 1 1 12 ALA C C 9.601 11.464 6.607 . . . 1.0 . . . . . . . . . . . . A . 12 ALA C . . . . . . . . . c34215_6f7o 1 . 2 . 425 . 1 1 12 ALA CA C 8.780 12.531 7.323 . . . 1.0 . . . . . . . . . . . . A . 12 ALA CA . . . . . . . . . c34215_6f7o 1 . 2 . 426 . 1 1 12 ALA CB C 8.546 12.133 8.773 . . . 1.0 . . . . . . . . . . . . A . 12 ALA CB . . . . . . . . . c34215_6f7o 1 . 2 . 427 . 1 1 12 ALA H H 6.879 12.011 6.550 . . . 1.0 . . . . . . . . . . . . A . 12 ALA H . . . . . . . . . c34215_6f7o 1 . 2 . 428 . 1 1 12 ALA HA H 9.332 13.460 7.316 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HA . . . . . . . . . c34215_6f7o 1 . 2 . 429 . 1 1 12 ALA HB1 H 7.547 12.424 9.069 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB1 . . . . . . . . . c34215_6f7o 1 . 2 . 430 . 1 1 12 ALA HB2 H 8.654 11.065 8.875 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB2 . . . . . . . . . c34215_6f7o 1 . 2 . 431 . 1 1 12 ALA HB3 H 9.267 12.631 9.405 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB3 . . . . . . . . . c34215_6f7o 1 . 2 . 432 . 1 1 12 ALA N N 7.509 12.757 6.650 . . . 1.0 . . . . . . . . . . . . A . 12 ALA N . . . . . . . . . c34215_6f7o 1 . 2 . 433 . 1 1 12 ALA O O 10.232 10.620 7.243 . . . 1.0 . . . . . . . . . . . . A . 12 ALA O . . . . . . . . . c34215_6f7o 1 . 2 . 434 . 1 1 13 ALA C C 11.828 10.667 4.719 . . . 1.0 . . . . . . . . . . . . A . 13 ALA C . . . . . . . . . c34215_6f7o 1 . 2 . 435 . 1 1 13 ALA CA C 10.328 10.543 4.477 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CA . . . . . . . . . c34215_6f7o 1 . 2 . 436 . 1 1 13 ALA CB C 10.015 10.734 2.999 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CB . . . . . . . . . c34215_6f7o 1 . 2 . 437 . 1 1 13 ALA H H 9.062 12.203 4.828 . . . 1.0 . . . . . . . . . . . . A . 13 ALA H . . . . . . . . . c34215_6f7o 1 . 2 . 438 . 1 1 13 ALA HA H 10.008 9.552 4.762 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HA . . . . . . . . . c34215_6f7o 1 . 2 . 439 . 1 1 13 ALA HB1 H 9.333 9.961 2.674 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB1 . . . . . . . . . c34215_6f7o 1 . 2 . 440 . 1 1 13 ALA HB2 H 9.560 11.701 2.850 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB2 . . . . . . . . . c34215_6f7o 1 . 2 . 441 . 1 1 13 ALA HB3 H 10.928 10.673 2.425 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB3 . . . . . . . . . c34215_6f7o 1 . 2 . 442 . 1 1 13 ALA N N 9.584 11.506 5.278 . . . 1.0 . . . . . . . . . . . . A . 13 ALA N . . . . . . . . . c34215_6f7o 1 . 2 . 443 . 1 1 13 ALA O O 12.386 11.765 4.678 . . . 1.0 . . . . . . . . . . . . A . 13 ALA O . . . . . . . . . c34215_6f7o 1 . 2 . 444 . 1 1 14 ARG C C 14.545 8.239 4.686 . . . 1.0 . . . . . . . . . . . . A . 14 ARG C . . . . . . . . . c34215_6f7o 1 . 2 . 445 . 1 1 14 ARG CA C 13.912 9.517 5.228 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CA . . . . . . . . . c34215_6f7o 1 . 2 . 446 . 1 1 14 ARG CB C 14.190 9.642 6.728 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CB . . . . . . . . . c34215_6f7o 1 . 2 . 447 . 1 1 14 ARG CD C 15.608 11.068 8.235 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CD . . . . . . . . . c34215_6f7o 1 . 2 . 448 . 1 1 14 ARG CG C 15.598 10.115 7.048 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CG . . . . . . . . . c34215_6f7o 1 . 2 . 449 . 1 1 14 ARG CZ C 14.807 13.337 8.734 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CZ . . . . . . . . . c34215_6f7o 1 . 2 . 450 . 1 1 14 ARG H H 11.978 8.692 4.996 . . . 1.0 . . . . . . . . . . . . A . 14 ARG H . . . . . . . . . c34215_6f7o 1 . 2 . 451 . 1 1 14 ARG HA H 14.349 10.365 4.720 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HA . . . . . . . . . c34215_6f7o 1 . 2 . 452 . 1 1 14 ARG HB2 H 13.490 10.345 7.153 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB2 . . . . . . . . . c34215_6f7o 1 . 2 . 453 . 1 1 14 ARG HB3 H 14.044 8.677 7.188 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB3 . . . . . . . . . c34215_6f7o 1 . 2 . 454 . 1 1 14 ARG HD2 H 14.932 10.690 8.988 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD2 . . . . . . . . . c34215_6f7o 1 . 2 . 455 . 1 1 14 ARG HD3 H 16.608 11.109 8.639 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD3 . . . . . . . . . c34215_6f7o 1 . 2 . 456 . 1 1 14 ARG HE H 15.201 12.644 6.907 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HE . . . . . . . . . c34215_6f7o 1 . 2 . 457 . 1 1 14 ARG HG2 H 16.211 9.258 7.284 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG2 . . . . . . . . . c34215_6f7o 1 . 2 . 458 . 1 1 14 ARG HG3 H 16.002 10.624 6.186 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG3 . . . . . . . . . c34215_6f7o 1 . 2 . 459 . 1 1 14 ARG HH11 H 14.494 13.754 10.687 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH11 . . . . . . . . . c34215_6f7o 1 . 2 . 460 . 1 1 14 ARG HH12 H 15.057 12.150 10.350 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH12 . . . . . . . . . c34215_6f7o 1 . 2 . 461 . 1 1 14 ARG HH21 H 14.154 15.235 8.974 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH21 . . . . . . . . . c34215_6f7o 1 . 2 . 462 . 1 1 14 ARG HH22 H 14.460 14.757 7.337 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH22 . . . . . . . . . c34215_6f7o 1 . 2 . 463 . 1 1 14 ARG N N 12.478 9.536 4.975 . . . 1.0 . . . . . . . . . . . . A . 14 ARG N . . . . . . . . . c34215_6f7o 1 . 2 . 464 . 1 1 14 ARG NE N 15.192 12.416 7.858 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NE . . . . . . . . . c34215_6f7o 1 . 2 . 465 . 1 1 14 ARG NH1 N 14.784 13.057 10.031 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH1 . . . . . . . . . c34215_6f7o 1 . 2 . 466 . 1 1 14 ARG NH2 N 14.444 14.543 8.313 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH2 . . . . . . . . . c34215_6f7o 1 . 2 . 467 . 1 1 14 ARG O O 15.466 7.712 5.309 . . . 1.0 . . . . . . . . . . . . A . 14 ARG O . . . . . . . . . c34215_6f7o 1 . 2 . 468 . 1 1 15 NH2 HN1 H 13.291 8.256 3.102 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 HN1 . . . . . . . . . c34215_6f7o 1 . 2 . 469 . 1 1 15 NH2 HN2 H 14.413 6.937 3.147 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 HN2 . . . . . . . . . c34215_6f7o 1 . 2 . 470 . 1 1 15 NH2 N N 14.042 7.774 3.553 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 N . . . . . . . . . c34215_6f7o 1 . 3 . 471 . 1 1 1 ACE C C -5.617 2.633 8.308 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . c34215_6f7o 1 . 3 . 472 . 1 1 1 ACE CH3 C -6.208 1.437 7.643 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . c34215_6f7o 1 . 3 . 473 . 1 1 1 ACE H1 H -6.402 0.666 8.388 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . c34215_6f7o 1 . 3 . 474 . 1 1 1 ACE H2 H -7.145 1.715 7.158 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . c34215_6f7o 1 . 3 . 475 . 1 1 1 ACE H3 H -5.512 1.056 6.896 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . c34215_6f7o 1 . 3 . 476 . 1 1 1 ACE O O -4.420 2.900 8.225 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . c34215_6f7o 1 . 3 . 477 . 1 1 2 ASP C C -5.335 5.542 8.755 . . . 1.0 . . . . . . . . . . . . A . 2 ASP C . . . . . . . . . c34215_6f7o 1 . 3 . 478 . 1 1 2 ASP CA C -6.059 4.582 9.696 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CA . . . . . . . . . c34215_6f7o 1 . 3 . 479 . 1 1 2 ASP CB C -5.148 4.218 10.869 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CB . . . . . . . . . c34215_6f7o 1 . 3 . 480 . 1 1 2 ASP CG C -5.927 3.924 12.136 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CG . . . . . . . . . c34215_6f7o 1 . 3 . 481 . 1 1 2 ASP H H -7.423 3.114 9.017 . . . 1.0 . . . . . . . . . . . . A . 2 ASP H . . . . . . . . . c34215_6f7o 1 . 3 . 482 . 1 1 2 ASP HA H -6.942 5.072 10.078 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HA . . . . . . . . . c34215_6f7o 1 . 3 . 483 . 1 1 2 ASP HB2 H -4.572 3.339 10.613 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HB2 . . . . . . . . . c34215_6f7o 1 . 3 . 484 . 1 1 2 ASP HB3 H -4.474 5.040 11.064 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HB3 . . . . . . . . . c34215_6f7o 1 . 3 . 485 . 1 1 2 ASP N N -6.479 3.380 8.989 . . . 1.0 . . . . . . . . . . . . A . 2 ASP N . . . . . . . . . c34215_6f7o 1 . 3 . 486 . 1 1 2 ASP O O -4.116 5.708 8.813 . . . 1.0 . . . . . . . . . . . . A . 2 ASP O . . . . . . . . . c34215_6f7o 1 . 3 . 487 . 1 1 2 ASP OD1 O -6.820 4.723 12.483 . . . 1.0 . . . . . . . . . . . . A . 2 ASP OD1 . . . . . . . . . c34215_6f7o 1 . 3 . 488 . 1 1 2 ASP OD2 O -5.642 2.893 12.782 . . . 1.0 . . . . . . . . . . . . A . 2 ASP OD2 . . . . . . . . . c34215_6f7o 1 . 3 . 489 . 1 1 3 PRO C C -5.070 8.421 7.548 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . c34215_6f7o 1 . 3 . 490 . 1 1 3 PRO CA C -5.553 7.136 6.888 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . c34215_6f7o 1 . 3 . 491 . 1 1 3 PRO CB C -6.741 7.420 5.967 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . c34215_6f7o 1 . 3 . 492 . 1 1 3 PRO CD C -7.559 6.033 7.733 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . c34215_6f7o 1 . 3 . 493 . 1 1 3 PRO CG C -7.945 7.149 6.803 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . c34215_6f7o 1 . 3 . 494 . 1 1 3 PRO HA H -4.748 6.700 6.317 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . c34215_6f7o 1 . 3 . 495 . 1 1 3 PRO HB2 H -6.710 8.452 5.642 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . c34215_6f7o 1 . 3 . 496 . 1 1 3 PRO HB3 H -6.701 6.765 5.109 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . c34215_6f7o 1 . 3 . 497 . 1 1 3 PRO HD2 H -8.045 6.154 8.689 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . c34215_6f7o 1 . 3 . 498 . 1 1 3 PRO HD3 H -7.810 5.076 7.298 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . c34215_6f7o 1 . 3 . 499 . 1 1 3 PRO HG2 H -8.208 8.033 7.365 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . c34215_6f7o 1 . 3 . 500 . 1 1 3 PRO HG3 H -8.768 6.846 6.173 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . c34215_6f7o 1 . 3 . 501 . 1 1 3 PRO N N -6.100 6.184 7.860 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . c34215_6f7o 1 . 3 . 502 . 1 1 3 PRO O O -5.832 9.376 7.702 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . c34215_6f7o 1 . 3 . 503 . 1 1 4 GLN C C -1.714 9.428 8.787 . . . 1.0 . . . . . . . . . . . . A . 4 GLN C . . . . . . . . . c34215_6f7o 1 . 3 . 504 . 1 1 4 GLN CA C -3.213 9.615 8.574 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CA . . . . . . . . . c34215_6f7o 1 . 3 . 505 . 1 1 4 GLN CB C -3.899 9.884 9.915 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CB . . . . . . . . . c34215_6f7o 1 . 3 . 506 . 1 1 4 GLN CD C -5.035 12.141 10.007 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CD . . . . . . . . . c34215_6f7o 1 . 3 . 507 . 1 1 4 GLN CG C -3.803 11.332 10.367 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CG . . . . . . . . . c34215_6f7o 1 . 3 . 508 . 1 1 4 GLN H H -3.241 7.652 7.782 . . . 1.0 . . . . . . . . . . . . A . 4 GLN H . . . . . . . . . c34215_6f7o 1 . 3 . 509 . 1 1 4 GLN HA H -3.368 10.461 7.924 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HA . . . . . . . . . c34215_6f7o 1 . 3 . 510 . 1 1 4 GLN HB2 H -4.944 9.626 9.828 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HB2 . . . . . . . . . c34215_6f7o 1 . 3 . 511 . 1 1 4 GLN HB3 H -3.444 9.263 10.671 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HB3 . . . . . . . . . c34215_6f7o 1 . 3 . 512 . 1 1 4 GLN HE21 H -6.012 11.386 11.564 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HE21 . . . . . . . . . c34215_6f7o 1 . 3 . 513 . 1 1 4 GLN HE22 H -6.898 12.507 10.593 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HE22 . . . . . . . . . c34215_6f7o 1 . 3 . 514 . 1 1 4 GLN HG2 H -3.678 11.353 11.439 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HG2 . . . . . . . . . c34215_6f7o 1 . 3 . 515 . 1 1 4 GLN HG3 H -2.942 11.785 9.897 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HG3 . . . . . . . . . c34215_6f7o 1 . 3 . 516 . 1 1 4 GLN N N -3.797 8.443 7.932 . . . 1.0 . . . . . . . . . . . . A . 4 GLN N . . . . . . . . . c34215_6f7o 1 . 3 . 517 . 1 1 4 GLN NE2 N -6.090 11.997 10.803 . . . 1.0 . . . . . . . . . . . . A . 4 GLN NE2 . . . . . . . . . c34215_6f7o 1 . 3 . 518 . 1 1 4 GLN O O -0.913 10.288 8.425 . . . 1.0 . . . . . . . . . . . . A . 4 GLN O . . . . . . . . . c34215_6f7o 1 . 3 . 519 . 1 1 4 GLN OE1 O -5.039 12.884 9.028 . . . 1.0 . . . . . . . . . . . . A . 4 GLN OE1 . . . . . . . . . c34215_6f7o 1 . 3 . 520 . 1 1 5 HIS C C 0.831 7.820 8.331 . . . 1.0 . . . . . . . . . . . . A . 5 HIS C . . . . . . . . . c34215_6f7o 1 . 3 . 521 . 1 1 5 HIS CA C 0.062 7.995 9.638 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CA . . . . . . . . . c34215_6f7o 1 . 3 . 522 . 1 1 5 HIS CB C 0.184 6.729 10.486 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CB . . . . . . . . . c34215_6f7o 1 . 3 . 523 . 1 1 5 HIS CD2 C 1.896 7.556 12.251 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CD2 . . . . . . . . . c34215_6f7o 1 . 3 . 524 . 1 1 5 HIS CE1 C 3.329 5.903 12.107 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CE1 . . . . . . . . . c34215_6f7o 1 . 3 . 525 . 1 1 5 HIS CG C 1.426 6.690 11.325 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CG . . . . . . . . . c34215_6f7o 1 . 3 . 526 . 1 1 5 HIS H H -2.028 7.647 9.643 . . . 1.0 . . . . . . . . . . . . A . 5 HIS H . . . . . . . . . c34215_6f7o 1 . 3 . 527 . 1 1 5 HIS HA H 0.484 8.826 10.181 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HA . . . . . . . . . c34215_6f7o 1 . 3 . 528 . 1 1 5 HIS HB2 H -0.664 6.666 11.151 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB2 . . . . . . . . . c34215_6f7o 1 . 3 . 529 . 1 1 5 HIS HB3 H 0.193 5.866 9.838 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB3 . . . . . . . . . c34215_6f7o 1 . 3 . 530 . 1 1 5 HIS HD1 H 2.287 4.880 10.675 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD1 . . . . . . . . . c34215_6f7o 1 . 3 . 531 . 1 1 5 HIS HD2 H 1.430 8.480 12.563 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD2 . . . . . . . . . c34215_6f7o 1 . 3 . 532 . 1 1 5 HIS HE1 H 4.189 5.271 12.271 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HE1 . . . . . . . . . c34215_6f7o 1 . 3 . 533 . 1 1 5 HIS N N -1.343 8.296 9.376 . . . 1.0 . . . . . . . . . . . . A . 5 HIS N . . . . . . . . . c34215_6f7o 1 . 3 . 534 . 1 1 5 HIS ND1 N 2.347 5.665 11.256 . . . 1.0 . . . . . . . . . . . . A . 5 HIS ND1 . . . . . . . . . c34215_6f7o 1 . 3 . 535 . 1 1 5 HIS NE2 N 3.080 7.045 12.722 . . . 1.0 . . . . . . . . . . . . A . 5 HIS NE2 . . . . . . . . . c34215_6f7o 1 . 3 . 536 . 1 1 5 HIS O O 2.046 8.015 8.321 . . . 1.0 . . . . . . . . . . . . A . 5 HIS O . . . . . . . . . c34215_6f7o 1 . 3 . 537 . 1 1 6 . C C 1.327 8.544 5.526 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 C . . . . . . . . . c34215_6f7o 1 . 3 . 538 . 1 1 6 . CA C 0.751 7.180 5.911 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 CA . . . . . . . . . c34215_6f7o 1 . 3 . 539 . 1 1 6 . CB C -0.372 6.783 4.899 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 CB . . . . . . . . . c34215_6f7o 1 . 3 . 540 . 1 1 6 . CB1 C 1.835 6.058 5.915 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 CB1 . . . . . . . . . c34215_6f7o 1 . 3 . 541 . 1 1 6 . CD C -0.221 7.979 2.593 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 CD . . . . . . . . . c34215_6f7o 1 . 3 . 542 . 1 1 6 . CE C 0.516 7.942 1.269 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 CE . . . . . . . . . c34215_6f7o 1 . 3 . 543 . 1 1 6 . CG C 0.069 6.701 3.409 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 CG . . . . . . . . . c34215_6f7o 1 . 3 . 544 . 1 1 6 . HB H -0.751 5.797 5.189 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HB . . . . . . . . . c34215_6f7o 1 . 3 . 545 . 1 1 6 . HB1 H 1.373 5.079 6.064 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HB1 . . . . . . . . . c34215_6f7o 1 . 3 . 546 . 1 1 6 . HB1A H 2.404 6.026 4.983 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HB1A . . . . . . . . . c34215_6f7o 1 . 3 . 547 . 1 1 6 . HB1B H 2.558 6.191 6.715 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HB1B . . . . . . . . . c34215_6f7o 1 . 3 . 548 . 1 1 6 . HBA H -1.226 7.459 4.990 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HBA . . . . . . . . . c34215_6f7o 1 . 3 . 549 . 1 1 6 . HD H -1.296 8.036 2.407 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HD . . . . . . . . . c34215_6f7o 1 . 3 . 550 . 1 1 6 . HDA H 0.042 8.862 3.162 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HDA . . . . . . . . . c34215_6f7o 1 . 3 . 551 . 1 1 6 . HE H 0.206 7.145 0.599 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HE . . . . . . . . . c34215_6f7o 1 . 3 . 552 . 1 1 6 . HG H 1.131 6.468 3.324 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HG . . . . . . . . . c34215_6f7o 1 . 3 . 553 . 1 1 6 . HGA H -0.458 5.869 2.935 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HGA . . . . . . . . . c34215_6f7o 1 . 3 . 554 . 1 1 6 . HN H -0.788 7.030 7.387 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HN . . . . . . . . . c34215_6f7o 1 . 3 . 555 . 1 1 6 . N N 0.176 7.301 7.266 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 N . . . . . . . . . c34215_6f7o 1 . 3 . 556 . 1 1 6 . O O 2.494 8.725 5.259 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 O . . . . . . . . . c34215_6f7o 1 . 3 . 557 . 1 1 7 ARG C C 1.879 11.481 6.316 . . . 1.0 . . . . . . . . . . . . A . 7 ARG C . . . . . . . . . c34215_6f7o 1 . 3 . 558 . 1 1 7 ARG CA C 0.767 10.980 5.400 . . . 1.0 . . . . . . . . . . . . A . 7 ARG CA . . . . . . . . . c34215_6f7o 1 . 3 . 559 . 1 1 7 ARG CB C -0.486 11.838 5.586 . . . 1.0 . . . . . . . . . . . . A . 7 ARG CB . . . . . . . . . c34215_6f7o 1 . 3 . 560 . 1 1 7 ARG CD C -0.840 13.317 3.584 . . . 1.0 . . . . . . . . . . . . A . 7 ARG CD . . . . . . . . . c34215_6f7o 1 . 3 . 561 . 1 1 7 ARG CG C -0.351 13.244 5.022 . . . 1.0 . . . . . . . . . . . . A . 7 ARG CG . . . . . . . . . c34215_6f7o 1 . 3 . 562 . 1 1 7 ARG CZ C -2.516 14.553 2.280 . . . 1.0 . . . . . . . . . . . . A . 7 ARG CZ . . . . . . . . . c34215_6f7o 1 . 3 . 563 . 1 1 7 ARG H H -0.445 9.328 5.924 . . . 1.0 . . . . . . . . . . . . A . 7 ARG H . . . . . . . . . c34215_6f7o 1 . 3 . 564 . 1 1 7 ARG HA H 1.099 11.061 4.375 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HA . . . . . . . . . c34215_6f7o 1 . 3 . 565 . 1 1 7 ARG HB2 H -1.316 11.356 5.093 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HB2 . . . . . . . . . c34215_6f7o 1 . 3 . 566 . 1 1 7 ARG HB3 H -0.702 11.916 6.641 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HB3 . . . . . . . . . c34215_6f7o 1 . 3 . 567 . 1 1 7 ARG HD2 H -0.048 13.721 2.970 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HD2 . . . . . . . . . c34215_6f7o 1 . 3 . 568 . 1 1 7 ARG HD3 H -1.081 12.321 3.249 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HD3 . . . . . . . . . c34215_6f7o 1 . 3 . 569 . 1 1 7 ARG HE H -2.468 14.454 4.271 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HE . . . . . . . . . c34215_6f7o 1 . 3 . 570 . 1 1 7 ARG HG2 H -0.939 13.922 5.625 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HG2 . . . . . . . . . c34215_6f7o 1 . 3 . 571 . 1 1 7 ARG HG3 H 0.687 13.539 5.059 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HG3 . . . . . . . . . c34215_6f7o 1 . 3 . 572 . 1 1 7 ARG HH11 H -2.311 14.468 0.271 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HH11 . . . . . . . . . c34215_6f7o 1 . 3 . 573 . 1 1 7 ARG HH12 H -1.123 13.593 1.179 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HH12 . . . . . . . . . c34215_6f7o 1 . 3 . 574 . 1 1 7 ARG HH21 H -3.969 15.615 1.360 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HH21 . . . . . . . . . c34215_6f7o 1 . 3 . 575 . 1 1 7 ARG HH22 H -4.039 15.608 3.090 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HH22 . . . . . . . . . c34215_6f7o 1 . 3 . 576 . 1 1 7 ARG N N 0.466 9.580 5.667 . . . 1.0 . . . . . . . . . . . . A . 7 ARG N . . . . . . . . . c34215_6f7o 1 . 3 . 577 . 1 1 7 ARG NE N -2.021 14.162 3.451 . . . 1.0 . . . . . . . . . . . . A . 7 ARG NE . . . . . . . . . c34215_6f7o 1 . 3 . 578 . 1 1 7 ARG NH1 N -1.937 14.174 1.150 . . . 1.0 . . . . . . . . . . . . A . 7 ARG NH1 . . . . . . . . . c34215_6f7o 1 . 3 . 579 . 1 1 7 ARG NH2 N -3.598 15.322 2.240 . . . 1.0 . . . . . . . . . . . . A . 7 ARG NH2 . . . . . . . . . c34215_6f7o 1 . 3 . 580 . 1 1 7 ARG O O 2.839 12.108 5.862 . . . 1.0 . . . . . . . . . . . . A . 7 ARG O . . . . . . . . . c34215_6f7o 1 . 3 . 581 . 1 1 8 LYS C C 4.127 11.121 8.208 . . . 1.0 . . . . . . . . . . . . A . 8 LYS C . . . . . . . . . c34215_6f7o 1 . 3 . 582 . 1 1 8 LYS CA C 2.740 11.622 8.589 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CA . . . . . . . . . c34215_6f7o 1 . 3 . 583 . 1 1 8 LYS CB C 2.363 11.107 9.981 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CB . . . . . . . . . c34215_6f7o 1 . 3 . 584 . 1 1 8 LYS CD C 4.176 12.456 11.076 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CD . . . . . . . . . c34215_6f7o 1 . 3 . 585 . 1 1 8 LYS CE C 4.430 12.831 12.529 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CE . . . . . . . . . c34215_6f7o 1 . 3 . 586 . 1 1 8 LYS CG C 3.525 11.089 10.958 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CG . . . . . . . . . c34215_6f7o 1 . 3 . 587 . 1 1 8 LYS H H 0.958 10.700 7.909 . . . 1.0 . . . . . . . . . . . . A . 8 LYS H . . . . . . . . . c34215_6f7o 1 . 3 . 588 . 1 1 8 LYS HA H 2.752 12.703 8.606 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HA . . . . . . . . . c34215_6f7o 1 . 3 . 589 . 1 1 8 LYS HB2 H 1.587 11.739 10.387 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB2 . . . . . . . . . c34215_6f7o 1 . 3 . 590 . 1 1 8 LYS HB3 H 1.982 10.099 9.886 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB3 . . . . . . . . . c34215_6f7o 1 . 3 . 591 . 1 1 8 LYS HD2 H 5.119 12.444 10.550 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD2 . . . . . . . . . c34215_6f7o 1 . 3 . 592 . 1 1 8 LYS HD3 H 3.524 13.196 10.631 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD3 . . . . . . . . . c34215_6f7o 1 . 3 . 593 . 1 1 8 LYS HE2 H 4.730 11.945 13.066 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE2 . . . . . . . . . c34215_6f7o 1 . 3 . 594 . 1 1 8 LYS HE3 H 5.222 13.562 12.565 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE3 . . . . . . . . . c34215_6f7o 1 . 3 . 595 . 1 1 8 LYS HG2 H 3.162 10.790 11.930 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG2 . . . . . . . . . c34215_6f7o 1 . 3 . 596 . 1 1 8 LYS HG3 H 4.263 10.380 10.612 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG3 . . . . . . . . . c34215_6f7o 1 . 3 . 597 . 1 1 8 LYS HZ1 H 2.755 12.679 13.769 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ1 . . . . . . . . . c34215_6f7o 1 . 3 . 598 . 1 1 8 LYS HZ2 H 2.540 13.716 12.450 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ2 . . . . . . . . . c34215_6f7o 1 . 3 . 599 . 1 1 8 LYS HZ3 H 3.474 14.211 13.770 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ3 . . . . . . . . . c34215_6f7o 1 . 3 . 600 . 1 1 8 LYS N N 1.746 11.204 7.608 . . . 1.0 . . . . . . . . . . . . A . 8 LYS N . . . . . . . . . c34215_6f7o 1 . 3 . 601 . 1 1 8 LYS NZ N 3.215 13.399 13.175 . . . 1.0 . . . . . . . . . . . . A . 8 LYS NZ . . . . . . . . . c34215_6f7o 1 . 3 . 602 . 1 1 8 LYS O O 5.100 11.875 8.233 . . . 1.0 . . . . . . . . . . . . A . 8 LYS O . . . . . . . . . c34215_6f7o 1 . 3 . 603 . 1 1 9 LEU C C 5.953 9.783 6.119 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . c34215_6f7o 1 . 3 . 604 . 1 1 9 LEU CA C 5.482 9.240 7.465 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . c34215_6f7o 1 . 3 . 605 . 1 1 9 LEU CB C 5.347 7.718 7.397 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . c34215_6f7o 1 . 3 . 606 . 1 1 9 LEU CD1 C 5.184 5.609 8.744 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . c34215_6f7o 1 . 3 . 607 . 1 1 9 LEU CD2 C 7.401 6.721 8.431 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . c34215_6f7o 1 . 3 . 608 . 1 1 9 LEU CG C 5.904 6.940 8.588 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . c34215_6f7o 1 . 3 . 609 . 1 1 9 LEU H H 3.403 9.292 7.854 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . c34215_6f7o 1 . 3 . 610 . 1 1 9 LEU HA H 6.215 9.494 8.217 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . c34215_6f7o 1 . 3 . 611 . 1 1 9 LEU HB2 H 4.298 7.484 7.311 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . c34215_6f7o 1 . 3 . 612 . 1 1 9 LEU HB3 H 5.863 7.381 6.510 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . c34215_6f7o 1 . 3 . 613 . 1 1 9 LEU HD11 H 5.424 5.178 9.703 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . c34215_6f7o 1 . 3 . 614 . 1 1 9 LEU HD12 H 5.495 4.939 7.957 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . c34215_6f7o 1 . 3 . 615 . 1 1 9 LEU HD13 H 4.116 5.769 8.676 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . c34215_6f7o 1 . 3 . 616 . 1 1 9 LEU HD21 H 7.863 7.633 8.076 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . c34215_6f7o 1 . 3 . 617 . 1 1 9 LEU HD22 H 7.576 5.929 7.718 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . c34215_6f7o 1 . 3 . 618 . 1 1 9 LEU HD23 H 7.830 6.449 9.385 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . c34215_6f7o 1 . 3 . 619 . 1 1 9 LEU HG H 5.742 7.513 9.493 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . c34215_6f7o 1 . 3 . 620 . 1 1 9 LEU N N 4.213 9.843 7.853 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . c34215_6f7o 1 . 3 . 621 . 1 1 9 LEU O O 7.159 9.875 5.899 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . c34215_6f7o 1 . 3 . 622 . 1 1 10 . C C 5.971 12.006 4.056 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 C . . . . . . . . . c34215_6f7o 1 . 3 . 623 . 1 1 10 . CA C 5.350 10.620 3.811 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 CA . . . . . . . . . c34215_6f7o 1 . 3 . 624 . 1 1 10 . CB C 4.055 10.853 2.960 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 CB . . . . . . . . . c34215_6f7o 1 . 3 . 625 . 1 1 10 . CB1 C 6.316 9.722 2.988 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 CB1 . . . . . . . . . c34215_6f7o 1 . 3 . 626 . 1 1 10 . CD C 2.085 9.937 1.612 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 CD . . . . . . . . . c34215_6f7o 1 . 3 . 627 . 1 1 10 . CE C 1.501 8.754 0.865 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 CE . . . . . . . . . c34215_6f7o 1 . 3 . 628 . 1 1 10 . CG C 3.456 9.611 2.244 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 CG . . . . . . . . . c34215_6f7o 1 . 3 . 629 . 1 1 10 . HB H 3.287 11.301 3.586 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HB . . . . . . . . . c34215_6f7o 1 . 3 . 630 . 1 1 10 . HB1 H 7.290 9.642 3.461 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HB1 . . . . . . . . . c34215_6f7o 1 . 3 . 631 . 1 1 10 . HB1A H 5.928 8.708 2.894 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HB1A . . . . . . . . . c34215_6f7o 1 . 3 . 632 . 1 1 10 . HB1B H 6.471 10.130 1.985 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HB1B . . . . . . . . . c34215_6f7o 1 . 3 . 633 . 1 1 10 . HBA H 4.277 11.593 2.187 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HBA . . . . . . . . . c34215_6f7o 1 . 3 . 634 . 1 1 10 . HD H 1.403 10.297 2.376 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HD . . . . . . . . . c34215_6f7o 1 . 3 . 635 . 1 1 10 . HDA H 2.209 10.764 0.906 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HDA . . . . . . . . . c34215_6f7o 1 . 3 . 636 . 1 1 10 . HE H 1.932 8.581 -0.119 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HE . . . . . . . . . c34215_6f7o 1 . 3 . 637 . 1 1 10 . HG H 4.129 9.283 1.445 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HG . . . . . . . . . c34215_6f7o 1 . 3 . 638 . 1 1 10 . HGA H 3.350 8.775 2.936 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HGA . . . . . . . . . c34215_6f7o 1 . 3 . 639 . 1 1 10 . HN H 4.078 9.820 5.338 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HN . . . . . . . . . c34215_6f7o 1 . 3 . 640 . 1 1 10 . N N 5.048 9.996 5.131 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 N . . . . . . . . . c34215_6f7o 1 . 3 . 641 . 1 1 10 . O O 6.942 12.428 3.459 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 O . . . . . . . . . c34215_6f7o 1 . 3 . 642 . 1 1 11 GLN C C 7.183 13.946 6.160 . . . 1.0 . . . . . . . . . . . . A . 11 GLN C . . . . . . . . . c34215_6f7o 1 . 3 . 643 . 1 1 11 GLN CA C 5.821 14.046 5.480 . . . 1.0 . . . . . . . . . . . . A . 11 GLN CA . . . . . . . . . c34215_6f7o 1 . 3 . 644 . 1 1 11 GLN CB C 4.801 14.654 6.445 . . . 1.0 . . . . . . . . . . . . A . 11 GLN CB . . . . . . . . . c34215_6f7o 1 . 3 . 645 . 1 1 11 GLN CD C 4.033 16.331 4.716 . . . 1.0 . . . . . . . . . . . . A . 11 GLN CD . . . . . . . . . c34215_6f7o 1 . 3 . 646 . 1 1 11 GLN CG C 4.478 16.110 6.149 . . . 1.0 . . . . . . . . . . . . A . 11 GLN CG . . . . . . . . . c34215_6f7o 1 . 3 . 647 . 1 1 11 GLN H H 4.519 12.382 5.358 . . . 1.0 . . . . . . . . . . . . A . 11 GLN H . . . . . . . . . c34215_6f7o 1 . 3 . 648 . 1 1 11 GLN HA H 5.911 14.685 4.614 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HA . . . . . . . . . c34215_6f7o 1 . 3 . 649 . 1 1 11 GLN HB2 H 3.885 14.087 6.386 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HB2 . . . . . . . . . c34215_6f7o 1 . 3 . 650 . 1 1 11 GLN HB3 H 5.190 14.591 7.450 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HB3 . . . . . . . . . c34215_6f7o 1 . 3 . 651 . 1 1 11 GLN HE21 H 4.944 18.097 4.678 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HE21 . . . . . . . . . c34215_6f7o 1 . 3 . 652 . 1 1 11 GLN HE22 H 4.132 17.638 3.223 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HE22 . . . . . . . . . c34215_6f7o 1 . 3 . 653 . 1 1 11 GLN HG2 H 3.686 16.431 6.809 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HG2 . . . . . . . . . c34215_6f7o 1 . 3 . 654 . 1 1 11 GLN HG3 H 5.360 16.705 6.330 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HG3 . . . . . . . . . c34215_6f7o 1 . 3 . 655 . 1 1 11 GLN N N 5.370 12.736 5.025 . . . 1.0 . . . . . . . . . . . . A . 11 GLN N . . . . . . . . . c34215_6f7o 1 . 3 . 656 . 1 1 11 GLN NE2 N 4.406 17.469 4.147 . . . 1.0 . . . . . . . . . . . . A . 11 GLN NE2 . . . . . . . . . c34215_6f7o 1 . 3 . 657 . 1 1 11 GLN O O 7.920 14.929 6.244 . . . 1.0 . . . . . . . . . . . . A . 11 GLN O . . . . . . . . . c34215_6f7o 1 . 3 . 658 . 1 1 11 GLN OE1 O 3.358 15.484 4.128 . . . 1.0 . . . . . . . . . . . . A . 11 GLN OE1 . . . . . . . . . c34215_6f7o 1 . 3 . 659 . 1 1 12 ALA C C 9.809 11.922 6.359 . . . 1.0 . . . . . . . . . . . . A . 12 ALA C . . . . . . . . . c34215_6f7o 1 . 3 . 660 . 1 1 12 ALA CA C 8.787 12.524 7.314 . . . 1.0 . . . . . . . . . . . . A . 12 ALA CA . . . . . . . . . c34215_6f7o 1 . 3 . 661 . 1 1 12 ALA CB C 8.592 11.621 8.524 . . . 1.0 . . . . . . . . . . . . A . 12 ALA CB . . . . . . . . . c34215_6f7o 1 . 3 . 662 . 1 1 12 ALA H H 6.883 12.008 6.546 . . . 1.0 . . . . . . . . . . . . A . 12 ALA H . . . . . . . . . c34215_6f7o 1 . 3 . 663 . 1 1 12 ALA HA H 9.154 13.478 7.665 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HA . . . . . . . . . c34215_6f7o 1 . 3 . 664 . 1 1 12 ALA HB1 H 9.557 11.296 8.887 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB1 . . . . . . . . . c34215_6f7o 1 . 3 . 665 . 1 1 12 ALA HB2 H 8.078 12.167 9.301 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB2 . . . . . . . . . c34215_6f7o 1 . 3 . 666 . 1 1 12 ALA HB3 H 8.005 10.761 8.238 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB3 . . . . . . . . . c34215_6f7o 1 . 3 . 667 . 1 1 12 ALA N N 7.512 12.753 6.644 . . . 1.0 . . . . . . . . . . . . A . 12 ALA N . . . . . . . . . c34215_6f7o 1 . 3 . 668 . 1 1 12 ALA O O 10.605 11.064 6.745 . . . 1.0 . . . . . . . . . . . . A . 12 ALA O . . . . . . . . . c34215_6f7o 1 . 3 . 669 . 1 1 13 ALA C C 11.451 13.026 3.423 . . . 1.0 . . . . . . . . . . . . A . 13 ALA C . . . . . . . . . c34215_6f7o 1 . 3 . 670 . 1 1 13 ALA CA C 10.709 11.878 4.098 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CA . . . . . . . . . c34215_6f7o 1 . 3 . 671 . 1 1 13 ALA CB C 9.966 11.045 3.063 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CB . . . . . . . . . c34215_6f7o 1 . 3 . 672 . 1 1 13 ALA H H 9.126 13.055 4.861 . . . 1.0 . . . . . . . . . . . . A . 13 ALA H . . . . . . . . . c34215_6f7o 1 . 3 . 673 . 1 1 13 ALA HA H 11.428 11.239 4.589 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HA . . . . . . . . . c34215_6f7o 1 . 3 . 674 . 1 1 13 ALA HB1 H 10.680 10.504 2.458 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB1 . . . . . . . . . c34215_6f7o 1 . 3 . 675 . 1 1 13 ALA HB2 H 9.314 10.345 3.565 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB2 . . . . . . . . . c34215_6f7o 1 . 3 . 676 . 1 1 13 ALA HB3 H 9.380 11.697 2.433 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB3 . . . . . . . . . c34215_6f7o 1 . 3 . 677 . 1 1 13 ALA N N 9.783 12.373 5.109 . . . 1.0 . . . . . . . . . . . . A . 13 ALA N . . . . . . . . . c34215_6f7o 1 . 3 . 678 . 1 1 13 ALA O O 11.005 14.174 3.462 . . . 1.0 . . . . . . . . . . . . A . 13 ALA O . . . . . . . . . c34215_6f7o 1 . 3 . 679 . 1 1 14 ARG C C 12.639 14.286 0.916 . . . 1.0 . . . . . . . . . . . . A . 14 ARG C . . . . . . . . . c34215_6f7o 1 . 3 . 680 . 1 1 14 ARG CA C 13.386 13.718 2.120 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CA . . . . . . . . . c34215_6f7o 1 . 3 . 681 . 1 1 14 ARG CB C 14.718 13.119 1.669 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CB . . . . . . . . . c34215_6f7o 1 . 3 . 682 . 1 1 14 ARG CD C 16.119 15.014 2.542 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CD . . . . . . . . . c34215_6f7o 1 . 3 . 683 . 1 1 14 ARG CG C 15.773 14.160 1.333 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CG . . . . . . . . . c34215_6f7o 1 . 3 . 684 . 1 1 14 ARG CZ C 15.531 17.207 3.485 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CZ . . . . . . . . . c34215_6f7o 1 . 3 . 685 . 1 1 14 ARG H H 12.886 11.779 2.806 . . . 1.0 . . . . . . . . . . . . A . 14 ARG H . . . . . . . . . c34215_6f7o 1 . 3 . 686 . 1 1 14 ARG HA H 13.579 14.518 2.819 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HA . . . . . . . . . c34215_6f7o 1 . 3 . 687 . 1 1 14 ARG HB2 H 15.103 12.491 2.460 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB2 . . . . . . . . . c34215_6f7o 1 . 3 . 688 . 1 1 14 ARG HB3 H 14.549 12.513 0.792 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB3 . . . . . . . . . c34215_6f7o 1 . 3 . 689 . 1 1 14 ARG HD2 H 15.859 14.469 3.439 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD2 . . . . . . . . . c34215_6f7o 1 . 3 . 690 . 1 1 14 ARG HD3 H 17.180 15.209 2.536 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD3 . . . . . . . . . c34215_6f7o 1 . 3 . 691 . 1 1 14 ARG HE H 14.792 16.463 1.789 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HE . . . . . . . . . c34215_6f7o 1 . 3 . 692 . 1 1 14 ARG HG2 H 16.667 13.659 0.992 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG2 . . . . . . . . . c34215_6f7o 1 . 3 . 693 . 1 1 14 ARG HG3 H 15.396 14.797 0.548 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG3 . . . . . . . . . c34215_6f7o 1 . 3 . 694 . 1 1 14 ARG HH11 H 16.442 17.693 5.223 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH11 . . . . . . . . . c34215_6f7o 1 . 3 . 695 . 1 1 14 ARG HH12 H 16.866 16.146 4.569 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH12 . . . . . . . . . c34215_6f7o 1 . 3 . 696 . 1 1 14 ARG HH21 H 14.942 19.032 4.125 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH21 . . . . . . . . . c34215_6f7o 1 . 3 . 697 . 1 1 14 ARG HH22 H 14.228 18.502 2.640 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH22 . . . . . . . . . c34215_6f7o 1 . 3 . 698 . 1 1 14 ARG N N 12.583 12.711 2.803 . . . 1.0 . . . . . . . . . . . . A . 14 ARG N . . . . . . . . . c34215_6f7o 1 . 3 . 699 . 1 1 14 ARG NE N 15.401 16.287 2.537 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NE . . . . . . . . . c34215_6f7o 1 . 3 . 700 . 1 1 14 ARG NH1 N 16.346 16.998 4.510 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH1 . . . . . . . . . c34215_6f7o 1 . 3 . 701 . 1 1 14 ARG NH2 N 14.844 18.339 3.411 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH2 . . . . . . . . . c34215_6f7o 1 . 3 . 702 . 1 1 14 ARG O O 12.444 15.499 0.847 . . . 1.0 . . . . . . . . . . . . A . 14 ARG O . . . . . . . . . c34215_6f7o 1 . 3 . 703 . 1 1 15 NH2 HN1 H 12.437 12.436 0.133 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 HN1 . . . . . . . . . c34215_6f7o 1 . 3 . 704 . 1 1 15 NH2 HN2 H 11.748 13.719 -0.804 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 HN2 . . . . . . . . . c34215_6f7o 1 . 3 . 705 . 1 1 15 NH2 N N 12.242 13.408 0.007 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 N . . . . . . . . . c34215_6f7o 1 . 4 . 706 . 1 1 1 ACE C C -5.795 2.386 8.978 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . c34215_6f7o 1 . 4 . 707 . 1 1 1 ACE CH3 C -6.386 1.272 8.184 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . c34215_6f7o 1 . 4 . 708 . 1 1 1 ACE H1 H -7.467 1.404 8.125 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . c34215_6f7o 1 . 4 . 709 . 1 1 1 ACE H2 H -5.963 1.279 7.180 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . c34215_6f7o 1 . 4 . 710 . 1 1 1 ACE H3 H -6.161 0.323 8.669 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . c34215_6f7o 1 . 4 . 711 . 1 1 1 ACE O O -6.198 2.672 10.106 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . c34215_6f7o 1 . 4 . 712 . 1 1 2 ASP C C -3.532 5.107 7.989 . . . 1.0 . . . . . . . . . . . . A . 2 ASP C . . . . . . . . . c34215_6f7o 1 . 4 . 713 . 1 1 2 ASP CA C -4.124 4.157 9.026 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CA . . . . . . . . . c34215_6f7o 1 . 4 . 714 . 1 1 2 ASP CB C -3.019 3.640 9.949 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CB . . . . . . . . . c34215_6f7o 1 . 4 . 715 . 1 1 2 ASP CG C -2.613 4.664 10.992 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CG . . . . . . . . . c34215_6f7o 1 . 4 . 716 . 1 1 2 ASP H H -4.527 2.768 7.479 . . . 1.0 . . . . . . . . . . . . A . 2 ASP H . . . . . . . . . c34215_6f7o 1 . 4 . 717 . 1 1 2 ASP HA H -4.852 4.692 9.614 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HA . . . . . . . . . c34215_6f7o 1 . 4 . 718 . 1 1 2 ASP HB2 H -3.370 2.755 10.460 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HB2 . . . . . . . . . c34215_6f7o 1 . 4 . 719 . 1 1 2 ASP HB3 H -2.152 3.389 9.359 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HB3 . . . . . . . . . c34215_6f7o 1 . 4 . 720 . 1 1 2 ASP N N -4.805 3.040 8.379 . . . 1.0 . . . . . . . . . . . . A . 2 ASP N . . . . . . . . . c34215_6f7o 1 . 4 . 721 . 1 1 2 ASP O O -2.318 5.194 7.812 . . . 1.0 . . . . . . . . . . . . A . 2 ASP O . . . . . . . . . c34215_6f7o 1 . 4 . 722 . 1 1 2 ASP OD1 O -1.739 4.346 11.825 . . . 1.0 . . . . . . . . . . . . A . 2 ASP OD1 . . . . . . . . . c34215_6f7o 1 . 4 . 723 . 1 1 2 ASP OD2 O -3.165 5.783 10.971 . . . 1.0 . . . . . . . . . . . . A . 2 ASP OD2 . . . . . . . . . c34215_6f7o 1 . 4 . 724 . 1 1 3 PRO C C -3.308 8.016 6.840 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . c34215_6f7o 1 . 4 . 725 . 1 1 3 PRO CA C -4.001 6.792 6.252 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . c34215_6f7o 1 . 4 . 726 . 1 1 3 PRO CB C -5.323 7.191 5.592 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . c34215_6f7o 1 . 4 . 727 . 1 1 3 PRO CD C -5.876 5.780 7.442 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . c34215_6f7o 1 . 4 . 728 . 1 1 3 PRO CG C -6.356 6.960 6.640 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . c34215_6f7o 1 . 4 . 729 . 1 1 3 PRO HA H -3.356 6.330 5.519 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . c34215_6f7o 1 . 4 . 730 . 1 1 3 PRO HB2 H -5.283 8.229 5.298 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . c34215_6f7o 1 . 4 . 731 . 1 1 3 PRO HB3 H -5.498 6.571 4.724 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . c34215_6f7o 1 . 4 . 732 . 1 1 3 PRO HD2 H -6.155 5.890 8.478 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . c34215_6f7o 1 . 4 . 733 . 1 1 3 PRO HD3 H -6.273 4.861 7.038 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . c34215_6f7o 1 . 4 . 734 . 1 1 3 PRO HG2 H -6.441 7.831 7.269 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . c34215_6f7o 1 . 4 . 735 . 1 1 3 PRO HG3 H -7.305 6.735 6.177 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . c34215_6f7o 1 . 4 . 736 . 1 1 3 PRO N N -4.414 5.834 7.283 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . c34215_6f7o 1 . 4 . 737 . 1 1 3 PRO O O -2.341 8.522 6.271 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . c34215_6f7o 1 . 4 . 738 . 1 1 4 GLN C C -1.740 9.467 8.868 . . . 1.0 . . . . . . . . . . . . A . 4 GLN C . . . . . . . . . c34215_6f7o 1 . 4 . 739 . 1 1 4 GLN CA C -3.237 9.650 8.639 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CA . . . . . . . . . c34215_6f7o 1 . 4 . 740 . 1 1 4 GLN CB C -3.940 9.900 9.975 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CB . . . . . . . . . c34215_6f7o 1 . 4 . 741 . 1 1 4 GLN CD C -5.374 11.483 11.328 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CD . . . . . . . . . c34215_6f7o 1 . 4 . 742 . 1 1 4 GLN CG C -4.901 11.078 9.945 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CG . . . . . . . . . c34215_6f7o 1 . 4 . 743 . 1 1 4 GLN H H -4.582 8.036 8.379 . . . 1.0 . . . . . . . . . . . . A . 4 GLN H . . . . . . . . . c34215_6f7o 1 . 4 . 744 . 1 1 4 GLN HA H -3.389 10.504 7.998 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HA . . . . . . . . . c34215_6f7o 1 . 4 . 745 . 1 1 4 GLN HB2 H -4.498 9.016 10.247 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HB2 . . . . . . . . . c34215_6f7o 1 . 4 . 746 . 1 1 4 GLN HB3 H -3.195 10.093 10.732 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HB3 . . . . . . . . . c34215_6f7o 1 . 4 . 747 . 1 1 4 GLN HE21 H -7.263 11.134 10.812 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HE21 . . . . . . . . . c34215_6f7o 1 . 4 . 748 . 1 1 4 GLN HE22 H -7.015 11.682 12.431 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HE22 . . . . . . . . . c34215_6f7o 1 . 4 . 749 . 1 1 4 GLN HG2 H -4.403 11.923 9.492 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HG2 . . . . . . . . . c34215_6f7o 1 . 4 . 750 . 1 1 4 GLN HG3 H -5.763 10.810 9.350 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HG3 . . . . . . . . . c34215_6f7o 1 . 4 . 751 . 1 1 4 GLN N N -3.809 8.485 7.977 . . . 1.0 . . . . . . . . . . . . A . 4 GLN N . . . . . . . . . c34215_6f7o 1 . 4 . 752 . 1 1 4 GLN NE2 N -6.682 11.427 11.546 . . . 1.0 . . . . . . . . . . . . A . 4 GLN NE2 . . . . . . . . . c34215_6f7o 1 . 4 . 753 . 1 1 4 GLN O O -0.946 10.372 8.606 . . . 1.0 . . . . . . . . . . . . A . 4 GLN O . . . . . . . . . c34215_6f7o 1 . 4 . 754 . 1 1 4 GLN OE1 O -4.571 11.839 12.192 . . . 1.0 . . . . . . . . . . . . A . 4 GLN OE1 . . . . . . . . . c34215_6f7o 1 . 4 . 755 . 1 1 5 HIS C C 0.814 7.818 8.315 . . . 1.0 . . . . . . . . . . . . A . 5 HIS C . . . . . . . . . c34215_6f7o 1 . 4 . 756 . 1 1 5 HIS CA C 0.041 7.989 9.620 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CA . . . . . . . . . c34215_6f7o 1 . 4 . 757 . 1 1 5 HIS CB C 0.163 6.722 10.467 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CB . . . . . . . . . c34215_6f7o 1 . 4 . 758 . 1 1 5 HIS CD2 C 1.171 6.544 12.851 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CD2 . . . . . . . . . c34215_6f7o 1 . 4 . 759 . 1 1 5 HIS CE1 C 3.215 7.179 12.381 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CE1 . . . . . . . . . c34215_6f7o 1 . 4 . 760 . 1 1 5 HIS CG C 1.221 6.808 11.524 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CG . . . . . . . . . c34215_6f7o 1 . 4 . 761 . 1 1 5 HIS H H -2.039 7.610 9.545 . . . 1.0 . . . . . . . . . . . . A . 5 HIS H . . . . . . . . . c34215_6f7o 1 . 4 . 762 . 1 1 5 HIS HA H 0.463 8.818 10.166 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HA . . . . . . . . . c34215_6f7o 1 . 4 . 763 . 1 1 5 HIS HB2 H -0.780 6.534 10.959 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB2 . . . . . . . . . c34215_6f7o 1 . 4 . 764 . 1 1 5 HIS HB3 H 0.401 5.888 9.823 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB3 . . . . . . . . . c34215_6f7o 1 . 4 . 765 . 1 1 5 HIS HD1 H 2.868 7.461 10.385 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD1 . . . . . . . . . c34215_6f7o 1 . 4 . 766 . 1 1 5 HIS HD2 H 0.306 6.209 13.406 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD2 . . . . . . . . . c34215_6f7o 1 . 4 . 767 . 1 1 5 HIS HE1 H 4.259 7.440 12.480 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HE1 . . . . . . . . . c34215_6f7o 1 . 4 . 768 . 1 1 5 HIS N N -1.362 8.290 9.357 . . . 1.0 . . . . . . . . . . . . A . 5 HIS N . . . . . . . . . c34215_6f7o 1 . 4 . 769 . 1 1 5 HIS ND1 N 2.516 7.204 11.260 . . . 1.0 . . . . . . . . . . . . A . 5 HIS ND1 . . . . . . . . . c34215_6f7o 1 . 4 . 770 . 1 1 5 HIS NE2 N 2.423 6.783 13.361 . . . 1.0 . . . . . . . . . . . . A . 5 HIS NE2 . . . . . . . . . c34215_6f7o 1 . 4 . 771 . 1 1 5 HIS O O 2.029 8.010 8.306 . . . 1.0 . . . . . . . . . . . . A . 5 HIS O . . . . . . . . . c34215_6f7o 1 . 4 . 772 . 1 1 6 . C C 1.340 8.557 5.514 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 C . . . . . . . . . c34215_6f7o 1 . 4 . 773 . 1 1 6 . CA C 0.818 7.164 5.894 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 CA . . . . . . . . . c34215_6f7o 1 . 4 . 774 . 1 1 6 . CB C -0.173 6.695 4.782 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 CB . . . . . . . . . c34215_6f7o 1 . 4 . 775 . 1 1 6 . CB1 C 1.937 6.077 5.974 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 CB1 . . . . . . . . . c34215_6f7o 1 . 4 . 776 . 1 1 6 . CD C -0.119 7.645 2.379 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 CD . . . . . . . . . c34215_6f7o 1 . 4 . 777 . 1 1 6 . CE C 0.718 7.689 1.119 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 CE . . . . . . . . . c34215_6f7o 1 . 4 . 778 . 1 1 6 . CG C 0.456 6.604 3.361 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 CG . . . . . . . . . c34215_6f7o 1 . 4 . 779 . 1 1 6 . HB H -0.576 5.715 5.056 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HB . . . . . . . . . c34215_6f7o 1 . 4 . 780 . 1 1 6 . HB1 H 1.495 5.080 6.022 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HB1 . . . . . . . . . c34215_6f7o 1 . 4 . 781 . 1 1 6 . HB1A H 2.615 6.105 5.121 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HB1A . . . . . . . . . c34215_6f7o 1 . 4 . 782 . 1 1 6 . HB1B H 2.552 6.176 6.859 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HB1B . . . . . . . . . c34215_6f7o 1 . 4 . 783 . 1 1 6 . HBA H -1.030 7.359 4.723 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HBA . . . . . . . . . c34215_6f7o 1 . 4 . 784 . 1 1 6 . HD H -1.145 7.367 2.122 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HD . . . . . . . . . c34215_6f7o 1 . 4 . 785 . 1 1 6 . HDA H -0.172 8.623 2.857 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HDA . . . . . . . . . c34215_6f7o 1 . 4 . 786 . 1 1 6 . HE H 0.504 6.906 0.399 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HE . . . . . . . . . c34215_6f7o 1 . 4 . 787 . 1 1 6 . HG H 1.538 6.744 3.392 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HG . . . . . . . . . c34215_6f7o 1 . 4 . 788 . 1 1 6 . HGA H 0.285 5.604 2.956 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HGA . . . . . . . . . c34215_6f7o 1 . 4 . 789 . 1 1 6 . HN H -0.780 7.006 7.323 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HN . . . . . . . . . c34215_6f7o 1 . 4 . 790 . 1 1 6 . N N 0.187 7.286 7.231 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 N . . . . . . . . . c34215_6f7o 1 . 4 . 791 . 1 1 6 . O O 2.499 8.766 5.227 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 O . . . . . . . . . c34215_6f7o 1 . 4 . 792 . 1 1 7 ARG C C 1.869 11.481 6.308 . . . 1.0 . . . . . . . . . . . . A . 7 ARG C . . . . . . . . . c34215_6f7o 1 . 4 . 793 . 1 1 7 ARG CA C 0.758 10.982 5.387 . . . 1.0 . . . . . . . . . . . . A . 7 ARG CA . . . . . . . . . c34215_6f7o 1 . 4 . 794 . 1 1 7 ARG CB C -0.497 11.839 5.572 . . . 1.0 . . . . . . . . . . . . A . 7 ARG CB . . . . . . . . . c34215_6f7o 1 . 4 . 795 . 1 1 7 ARG CD C -1.890 13.606 4.455 . . . 1.0 . . . . . . . . . . . . A . 7 ARG CD . . . . . . . . . c34215_6f7o 1 . 4 . 796 . 1 1 7 ARG CG C -0.481 13.123 4.759 . . . 1.0 . . . . . . . . . . . . A . 7 ARG CG . . . . . . . . . c34215_6f7o 1 . 4 . 797 . 1 1 7 ARG CZ C -2.226 15.570 5.897 . . . 1.0 . . . . . . . . . . . . A . 7 ARG CZ . . . . . . . . . c34215_6f7o 1 . 4 . 798 . 1 1 7 ARG H H -0.457 9.328 5.906 . . . 1.0 . . . . . . . . . . . . A . 7 ARG H . . . . . . . . . c34215_6f7o 1 . 4 . 799 . 1 1 7 ARG HA H 1.090 11.062 4.363 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HA . . . . . . . . . c34215_6f7o 1 . 4 . 800 . 1 1 7 ARG HB2 H -1.360 11.263 5.279 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HB2 . . . . . . . . . c34215_6f7o 1 . 4 . 801 . 1 1 7 ARG HB3 H -0.587 12.101 6.616 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HB3 . . . . . . . . . c34215_6f7o 1 . 4 . 802 . 1 1 7 ARG HD2 H -2.112 13.398 3.419 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HD2 . . . . . . . . . c34215_6f7o 1 . 4 . 803 . 1 1 7 ARG HD3 H -2.583 13.071 5.086 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HD3 . . . . . . . . . c34215_6f7o 1 . 4 . 804 . 1 1 7 ARG HE H -2.000 15.635 3.916 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HE . . . . . . . . . c34215_6f7o 1 . 4 . 805 . 1 1 7 ARG HG2 H 0.037 13.887 5.320 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HG2 . . . . . . . . . c34215_6f7o 1 . 4 . 806 . 1 1 7 ARG HG3 H 0.037 12.943 3.830 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HG3 . . . . . . . . . c34215_6f7o 1 . 4 . 807 . 1 1 7 ARG HH11 H -2.422 15.190 7.873 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HH11 . . . . . . . . . c34215_6f7o 1 . 4 . 808 . 1 1 7 ARG HH12 H -2.187 13.797 6.866 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HH12 . . . . . . . . . c34215_6f7o 1 . 4 . 809 . 1 1 7 ARG HH21 H -2.495 17.279 6.939 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HH21 . . . . . . . . . c34215_6f7o 1 . 4 . 810 . 1 1 7 ARG HH22 H -2.312 17.476 5.231 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HH22 . . . . . . . . . c34215_6f7o 1 . 4 . 811 . 1 1 7 ARG N N 0.456 9.582 5.651 . . . 1.0 . . . . . . . . . . . . A . 7 ARG N . . . . . . . . . c34215_6f7o 1 . 4 . 812 . 1 1 7 ARG NE N -2.041 15.040 4.692 . . . 1.0 . . . . . . . . . . . . A . 7 ARG NE . . . . . . . . . c34215_6f7o 1 . 4 . 813 . 1 1 7 ARG NH1 N -2.283 14.787 6.967 . . . 1.0 . . . . . . . . . . . . A . 7 ARG NH1 . . . . . . . . . c34215_6f7o 1 . 4 . 814 . 1 1 7 ARG NH2 N -2.355 16.882 6.034 . . . 1.0 . . . . . . . . . . . . A . 7 ARG NH2 . . . . . . . . . c34215_6f7o 1 . 4 . 815 . 1 1 7 ARG O O 2.828 12.107 5.856 . . . 1.0 . . . . . . . . . . . . A . 7 ARG O . . . . . . . . . c34215_6f7o 1 . 4 . 816 . 1 1 8 LYS C C 4.113 11.117 8.201 . . . 1.0 . . . . . . . . . . . . A . 8 LYS C . . . . . . . . . c34215_6f7o 1 . 4 . 817 . 1 1 8 LYS CA C 2.723 11.619 8.582 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CA . . . . . . . . . c34215_6f7o 1 . 4 . 818 . 1 1 8 LYS CB C 2.344 11.098 9.971 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CB . . . . . . . . . c34215_6f7o 1 . 4 . 819 . 1 1 8 LYS CD C 4.156 12.446 11.072 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CD . . . . . . . . . c34215_6f7o 1 . 4 . 820 . 1 1 8 LYS CE C 4.307 12.863 12.526 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CE . . . . . . . . . c34215_6f7o 1 . 4 . 821 . 1 1 8 LYS CG C 3.504 11.078 10.950 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CG . . . . . . . . . c34215_6f7o 1 . 4 . 822 . 1 1 8 LYS H H 0.945 10.695 7.897 . . . 1.0 . . . . . . . . . . . . A . 8 LYS H . . . . . . . . . c34215_6f7o 1 . 4 . 823 . 1 1 8 LYS HA H 2.736 12.696 8.600 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HA . . . . . . . . . c34215_6f7o 1 . 4 . 824 . 1 1 8 LYS HB2 H 1.567 11.731 10.377 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB2 . . . . . . . . . c34215_6f7o 1 . 4 . 825 . 1 1 8 LYS HB3 H 1.963 10.093 9.876 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB3 . . . . . . . . . c34215_6f7o 1 . 4 . 826 . 1 1 8 LYS HD2 H 5.135 12.411 10.615 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD2 . . . . . . . . . c34215_6f7o 1 . 4 . 827 . 1 1 8 LYS HD3 H 3.544 13.174 10.560 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD3 . . . . . . . . . c34215_6f7o 1 . 4 . 828 . 1 1 8 LYS HE2 H 3.513 13.552 12.773 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE2 . . . . . . . . . c34215_6f7o 1 . 4 . 829 . 1 1 8 LYS HE3 H 4.229 11.985 13.150 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE3 . . . . . . . . . c34215_6f7o 1 . 4 . 830 . 1 1 8 LYS HG2 H 3.138 10.778 11.920 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG2 . . . . . . . . . c34215_6f7o 1 . 4 . 831 . 1 1 8 LYS HG3 H 4.241 10.368 10.604 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG3 . . . . . . . . . c34215_6f7o 1 . 4 . 832 . 1 1 8 LYS HZ1 H 5.480 14.382 13.352 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ1 . . . . . . . . . c34215_6f7o 1 . 4 . 833 . 1 1 8 LYS HZ2 H 6.064 13.789 11.880 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ2 . . . . . . . . . c34215_6f7o 1 . 4 . 834 . 1 1 8 LYS HZ3 H 6.250 12.878 13.292 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ3 . . . . . . . . . c34215_6f7o 1 . 4 . 835 . 1 1 8 LYS N N 1.732 11.199 7.599 . . . 1.0 . . . . . . . . . . . . A . 8 LYS N . . . . . . . . . c34215_6f7o 1 . 4 . 836 . 1 1 8 LYS NZ N 5.616 13.523 12.781 . . . 1.0 . . . . . . . . . . . . A . 8 LYS NZ . . . . . . . . . c34215_6f7o 1 . 4 . 837 . 1 1 8 LYS O O 5.086 11.868 8.230 . . . 1.0 . . . . . . . . . . . . A . 8 LYS O . . . . . . . . . c34215_6f7o 1 . 4 . 838 . 1 1 9 LEU C C 5.942 9.778 6.114 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . c34215_6f7o 1 . 4 . 839 . 1 1 9 LEU CA C 5.468 9.235 7.458 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . c34215_6f7o 1 . 4 . 840 . 1 1 9 LEU CB C 5.331 7.713 7.386 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . c34215_6f7o 1 . 4 . 841 . 1 1 9 LEU CD1 C 5.165 5.603 8.728 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . c34215_6f7o 1 . 4 . 842 . 1 1 9 LEU CD2 C 7.384 6.716 8.423 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . c34215_6f7o 1 . 4 . 843 . 1 1 9 LEU CG C 5.887 6.933 8.579 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . c34215_6f7o 1 . 4 . 844 . 1 1 9 LEU H H 3.386 9.288 7.841 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . c34215_6f7o 1 . 4 . 845 . 1 1 9 LEU HA H 6.198 9.488 8.212 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . c34215_6f7o 1 . 4 . 846 . 1 1 9 LEU HB2 H 4.283 7.479 7.298 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . c34215_6f7o 1 . 4 . 847 . 1 1 9 LEU HB3 H 5.850 7.378 6.500 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . c34215_6f7o 1 . 4 . 848 . 1 1 9 LEU HD11 H 4.320 5.575 8.060 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . c34215_6f7o 1 . 4 . 849 . 1 1 9 LEU HD12 H 4.825 5.490 9.747 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . c34215_6f7o 1 . 4 . 850 . 1 1 9 LEU HD13 H 5.843 4.797 8.487 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . c34215_6f7o 1 . 4 . 851 . 1 1 9 LEU HD21 H 7.558 5.882 7.757 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . c34215_6f7o 1 . 4 . 852 . 1 1 9 LEU HD22 H 7.820 6.500 9.388 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . c34215_6f7o 1 . 4 . 853 . 1 1 9 LEU HD23 H 7.838 7.605 8.013 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . c34215_6f7o 1 . 4 . 854 . 1 1 9 LEU HG H 5.725 7.505 9.482 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . c34215_6f7o 1 . 4 . 855 . 1 1 9 LEU N N 4.198 9.838 7.845 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . c34215_6f7o 1 . 4 . 856 . 1 1 9 LEU O O 7.148 9.872 5.894 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . c34215_6f7o 1 . 4 . 857 . 1 1 10 . C C 5.971 12.021 4.049 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 C . . . . . . . . . c34215_6f7o 1 . 4 . 858 . 1 1 10 . CA C 5.389 10.619 3.802 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 CA . . . . . . . . . c34215_6f7o 1 . 4 . 859 . 1 1 10 . CB C 4.099 10.796 2.936 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 CB . . . . . . . . . c34215_6f7o 1 . 4 . 860 . 1 1 10 . CB1 C 6.414 9.762 3.002 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 CB1 . . . . . . . . . c34215_6f7o 1 . 4 . 861 . 1 1 10 . CD C 2.153 9.740 1.664 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 CD . . . . . . . . . c34215_6f7o 1 . 4 . 862 . 1 1 10 . CE C 1.687 8.568 0.823 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 CE . . . . . . . . . c34215_6f7o 1 . 4 . 863 . 1 1 10 . CG C 3.564 9.509 2.247 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 CG . . . . . . . . . c34215_6f7o 1 . 4 . 864 . 1 1 10 . HB H 3.310 11.225 3.553 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HB . . . . . . . . . c34215_6f7o 1 . 4 . 865 . 1 1 10 . HB1 H 7.412 9.800 3.447 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HB1 . . . . . . . . . c34215_6f7o 1 . 4 . 866 . 1 1 10 . HB1A H 6.110 8.713 2.969 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HB1A . . . . . . . . . c34215_6f7o 1 . 4 . 867 . 1 1 10 . HB1B H 6.508 10.127 1.979 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HB1B . . . . . . . . . c34215_6f7o 1 . 4 . 868 . 1 1 10 . HBA H 4.299 11.530 2.151 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HBA . . . . . . . . . c34215_6f7o 1 . 4 . 869 . 1 1 10 . HD H 1.460 9.951 2.478 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HD . . . . . . . . . c34215_6f7o 1 . 4 . 870 . 1 1 10 . HDA H 2.172 10.631 1.032 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HDA . . . . . . . . . c34215_6f7o 1 . 4 . 871 . 1 1 10 . HE H 2.206 8.456 -0.125 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HE . . . . . . . . . c34215_6f7o 1 . 4 . 872 . 1 1 10 . HG H 4.234 9.224 1.434 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HG . . . . . . . . . c34215_6f7o 1 . 4 . 873 . 1 1 10 . HGA H 3.537 8.675 2.948 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HGA . . . . . . . . . c34215_6f7o 1 . 4 . 874 . 1 1 10 . HN H 4.082 9.828 5.301 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HN . . . . . . . . . c34215_6f7o 1 . 4 . 875 . 1 1 10 . N N 5.057 9.996 5.114 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 N . . . . . . . . . c34215_6f7o 1 . 4 . 876 . 1 1 10 . O O 6.954 12.454 3.476 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 O . . . . . . . . . c34215_6f7o 1 . 4 . 877 . 1 1 11 GLN C C 7.174 13.942 6.161 . . . 1.0 . . . . . . . . . . . . A . 11 GLN C . . . . . . . . . c34215_6f7o 1 . 4 . 878 . 1 1 11 GLN CA C 5.811 14.043 5.483 . . . 1.0 . . . . . . . . . . . . A . 11 GLN CA . . . . . . . . . c34215_6f7o 1 . 4 . 879 . 1 1 11 GLN CB C 4.792 14.651 6.446 . . . 1.0 . . . . . . . . . . . . A . 11 GLN CB . . . . . . . . . c34215_6f7o 1 . 4 . 880 . 1 1 11 GLN CD C 4.024 16.330 4.722 . . . 1.0 . . . . . . . . . . . . A . 11 GLN CD . . . . . . . . . c34215_6f7o 1 . 4 . 881 . 1 1 11 GLN CG C 4.468 16.106 6.154 . . . 1.0 . . . . . . . . . . . . A . 11 GLN CG . . . . . . . . . c34215_6f7o 1 . 4 . 882 . 1 1 11 GLN H H 4.510 12.381 5.355 . . . 1.0 . . . . . . . . . . . . A . 11 GLN H . . . . . . . . . c34215_6f7o 1 . 4 . 883 . 1 1 11 GLN HA H 5.902 14.684 4.618 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HA . . . . . . . . . c34215_6f7o 1 . 4 . 884 . 1 1 11 GLN HB2 H 3.877 14.083 6.386 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HB2 . . . . . . . . . c34215_6f7o 1 . 4 . 885 . 1 1 11 GLN HB3 H 5.181 14.587 7.452 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HB3 . . . . . . . . . c34215_6f7o 1 . 4 . 886 . 1 1 11 GLN HE21 H 5.130 17.979 4.609 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HE21 . . . . . . . . . c34215_6f7o 1 . 4 . 887 . 1 1 11 GLN HE22 H 4.245 17.569 3.183 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HE22 . . . . . . . . . c34215_6f7o 1 . 4 . 888 . 1 1 11 GLN HG2 H 3.678 16.427 6.815 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HG2 . . . . . . . . . c34215_6f7o 1 . 4 . 889 . 1 1 11 GLN HG3 H 5.352 16.702 6.337 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HG3 . . . . . . . . . c34215_6f7o 1 . 4 . 890 . 1 1 11 GLN N N 5.362 12.735 5.024 . . . 1.0 . . . . . . . . . . . . A . 11 GLN N . . . . . . . . . c34215_6f7o 1 . 4 . 891 . 1 1 11 GLN NE2 N 4.514 17.401 4.109 . . . 1.0 . . . . . . . . . . . . A . 11 GLN NE2 . . . . . . . . . c34215_6f7o 1 . 4 . 892 . 1 1 11 GLN O O 7.910 14.925 6.248 . . . 1.0 . . . . . . . . . . . . A . 11 GLN O . . . . . . . . . c34215_6f7o 1 . 4 . 893 . 1 1 11 GLN OE1 O 3.247 15.549 4.173 . . . 1.0 . . . . . . . . . . . . A . 11 GLN OE1 . . . . . . . . . c34215_6f7o 1 . 4 . 894 . 1 1 12 ALA C C 9.806 11.942 6.353 . . . 1.0 . . . . . . . . . . . . A . 12 ALA C . . . . . . . . . c34215_6f7o 1 . 4 . 895 . 1 1 12 ALA CA C 8.774 12.520 7.317 . . . 1.0 . . . . . . . . . . . . A . 12 ALA CA . . . . . . . . . c34215_6f7o 1 . 4 . 896 . 1 1 12 ALA CB C 8.583 11.593 8.507 . . . 1.0 . . . . . . . . . . . . A . 12 ALA CB . . . . . . . . . c34215_6f7o 1 . 4 . 897 . 1 1 12 ALA H H 6.874 12.004 6.547 . . . 1.0 . . . . . . . . . . . . A . 12 ALA H . . . . . . . . . c34215_6f7o 1 . 4 . 898 . 1 1 12 ALA HA H 9.134 13.470 7.684 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HA . . . . . . . . . c34215_6f7o 1 . 4 . 899 . 1 1 12 ALA HB1 H 7.634 11.801 8.977 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB1 . . . . . . . . . c34215_6f7o 1 . 4 . 900 . 1 1 12 ALA HB2 H 8.604 10.566 8.172 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB2 . . . . . . . . . c34215_6f7o 1 . 4 . 901 . 1 1 12 ALA HB3 H 9.381 11.753 9.218 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB3 . . . . . . . . . c34215_6f7o 1 . 4 . 902 . 1 1 12 ALA N N 7.502 12.749 6.646 . . . 1.0 . . . . . . . . . . . . A . 12 ALA N . . . . . . . . . c34215_6f7o 1 . 4 . 903 . 1 1 12 ALA O O 10.525 11.001 6.690 . . . 1.0 . . . . . . . . . . . . A . 12 ALA O . . . . . . . . . c34215_6f7o 1 . 4 . 904 . 1 1 13 ALA C C 12.242 12.037 4.686 . . . 1.0 . . . . . . . . . . . . A . 13 ALA C . . . . . . . . . c34215_6f7o 1 . 4 . 905 . 1 1 13 ALA CA C 10.817 12.050 4.142 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CA . . . . . . . . . c34215_6f7o 1 . 4 . 906 . 1 1 13 ALA CB C 10.733 12.930 2.904 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CB . . . . . . . . . c34215_6f7o 1 . 4 . 907 . 1 1 13 ALA H H 9.273 13.255 4.942 . . . 1.0 . . . . . . . . . . . . A . 13 ALA H . . . . . . . . . c34215_6f7o 1 . 4 . 908 . 1 1 13 ALA HA H 10.541 11.045 3.860 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HA . . . . . . . . . c34215_6f7o 1 . 4 . 909 . 1 1 13 ALA HB1 H 11.718 13.285 2.645 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB1 . . . . . . . . . c34215_6f7o 1 . 4 . 910 . 1 1 13 ALA HB2 H 10.331 12.354 2.081 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB2 . . . . . . . . . c34215_6f7o 1 . 4 . 911 . 1 1 13 ALA HB3 H 10.087 13.771 3.103 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB3 . . . . . . . . . c34215_6f7o 1 . 4 . 912 . 1 1 13 ALA N N 9.873 12.509 5.153 . . . 1.0 . . . . . . . . . . . . A . 13 ALA N . . . . . . . . . c34215_6f7o 1 . 4 . 913 . 1 1 13 ALA O O 12.825 13.088 4.950 . . . 1.0 . . . . . . . . . . . . A . 13 ALA O . . . . . . . . . c34215_6f7o 1 . 4 . 914 . 1 1 14 ARG C C 15.148 10.501 4.229 . . . 1.0 . . . . . . . . . . . . A . 14 ARG C . . . . . . . . . c34215_6f7o 1 . 4 . 915 . 1 1 14 ARG CA C 14.151 10.691 5.367 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CA . . . . . . . . . c34215_6f7o 1 . 4 . 916 . 1 1 14 ARG CB C 14.226 9.505 6.330 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CB . . . . . . . . . c34215_6f7o 1 . 4 . 917 . 1 1 14 ARG CD C 15.603 8.179 7.962 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CD . . . . . . . . . c34215_6f7o 1 . 4 . 918 . 1 1 14 ARG CG C 15.614 9.277 6.911 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CG . . . . . . . . . c34215_6f7o 1 . 4 . 919 . 1 1 14 ARG CZ C 15.889 7.944 10.391 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CZ . . . . . . . . . c34215_6f7o 1 . 4 . 920 . 1 1 14 ARG H H 12.280 10.039 4.625 . . . 1.0 . . . . . . . . . . . . A . 14 ARG H . . . . . . . . . c34215_6f7o 1 . 4 . 921 . 1 1 14 ARG HA H 14.404 11.595 5.904 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HA . . . . . . . . . c34215_6f7o 1 . 4 . 922 . 1 1 14 ARG HB2 H 13.541 9.676 7.148 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB2 . . . . . . . . . c34215_6f7o 1 . 4 . 923 . 1 1 14 ARG HB3 H 13.930 8.610 5.802 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB3 . . . . . . . . . c34215_6f7o 1 . 4 . 924 . 1 1 14 ARG HD2 H 14.640 7.692 7.946 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD2 . . . . . . . . . c34215_6f7o 1 . 4 . 925 . 1 1 14 ARG HD3 H 16.375 7.461 7.719 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD3 . . . . . . . . . c34215_6f7o 1 . 4 . 926 . 1 1 14 ARG HE H 15.984 9.668 9.394 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HE . . . . . . . . . c34215_6f7o 1 . 4 . 927 . 1 1 14 ARG HG2 H 16.284 8.992 6.114 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG2 . . . . . . . . . c34215_6f7o 1 . 4 . 928 . 1 1 14 ARG HG3 H 15.959 10.195 7.362 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG3 . . . . . . . . . c34215_6f7o 1 . 4 . 929 . 1 1 14 ARG HH11 H 15.738 6.066 11.121 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH11 . . . . . . . . . c34215_6f7o 1 . 4 . 930 . 1 1 14 ARG HH12 H 15.535 6.216 9.408 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH12 . . . . . . . . . c34215_6f7o 1 . 4 . 931 . 1 1 14 ARG HH21 H 16.146 7.923 12.397 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH21 . . . . . . . . . c34215_6f7o 1 . 4 . 932 . 1 1 14 ARG HH22 H 16.254 9.483 11.652 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH22 . . . . . . . . . c34215_6f7o 1 . 4 . 933 . 1 1 14 ARG N N 12.795 10.841 4.854 . . . 1.0 . . . . . . . . . . . . A . 14 ARG N . . . . . . . . . c34215_6f7o 1 . 4 . 934 . 1 1 14 ARG NE N 15.847 8.704 9.303 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NE . . . . . . . . . c34215_6f7o 1 . 4 . 935 . 1 1 14 ARG NH1 N 15.706 6.635 10.299 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH1 . . . . . . . . . c34215_6f7o 1 . 4 . 936 . 1 1 14 ARG NH2 N 16.114 8.496 11.578 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH2 . . . . . . . . . c34215_6f7o 1 . 4 . 937 . 1 1 14 ARG O O 16.272 10.991 4.323 . . . 1.0 . . . . . . . . . . . . A . 14 ARG O . . . . . . . . . c34215_6f7o 1 . 4 . 938 . 1 1 15 NH2 HN1 H 13.791 9.432 3.184 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 HN1 . . . . . . . . . c34215_6f7o 1 . 4 . 939 . 1 1 15 NH2 HN2 H 15.328 9.641 2.410 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 HN2 . . . . . . . . . c34215_6f7o 1 . 4 . 940 . 1 1 15 NH2 N N 14.721 9.801 3.190 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 N . . . . . . . . . c34215_6f7o 1 . 5 . 941 . 1 1 1 ACE C C -5.530 2.782 7.834 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . c34215_6f7o 1 . 5 . 942 . 1 1 1 ACE CH3 C -6.074 1.610 7.094 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . c34215_6f7o 1 . 5 . 943 . 1 1 1 ACE H1 H -7.098 1.421 7.413 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . c34215_6f7o 1 . 5 . 944 . 1 1 1 ACE H2 H -6.061 1.819 6.023 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . c34215_6f7o 1 . 5 . 945 . 1 1 1 ACE H3 H -5.461 0.733 7.301 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . c34215_6f7o 1 . 5 . 946 . 1 1 1 ACE O O -4.330 3.052 7.838 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . c34215_6f7o 1 . 5 . 947 . 1 1 2 ASP C C -5.278 5.670 8.399 . . . 1.0 . . . . . . . . . . . . A . 2 ASP C . . . . . . . . . c34215_6f7o 1 . 5 . 948 . 1 1 2 ASP CA C -6.063 4.684 9.256 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CA . . . . . . . . . c34215_6f7o 1 . 5 . 949 . 1 1 2 ASP CB C -5.232 4.278 10.476 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CB . . . . . . . . . c34215_6f7o 1 . 5 . 950 . 1 1 2 ASP CG C -5.048 5.420 11.456 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CG . . . . . . . . . c34215_6f7o 1 . 5 . 951 . 1 1 2 ASP H H -7.380 3.239 8.444 . . . 1.0 . . . . . . . . . . . . A . 2 ASP H . . . . . . . . . c34215_6f7o 1 . 5 . 952 . 1 1 2 ASP HA H -6.970 5.161 9.594 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HA . . . . . . . . . c34215_6f7o 1 . 5 . 953 . 1 1 2 ASP HB2 H -5.729 3.466 10.988 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HB2 . . . . . . . . . c34215_6f7o 1 . 5 . 954 . 1 1 2 ASP HB3 H -4.258 3.946 10.145 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HB3 . . . . . . . . . c34215_6f7o 1 . 5 . 955 . 1 1 2 ASP N N -6.436 3.504 8.484 . . . 1.0 . . . . . . . . . . . . A . 2 ASP N . . . . . . . . . c34215_6f7o 1 . 5 . 956 . 1 1 2 ASP O O -4.067 5.835 8.547 . . . 1.0 . . . . . . . . . . . . A . 2 ASP O . . . . . . . . . c34215_6f7o 1 . 5 . 957 . 1 1 2 ASP OD1 O -4.055 5.396 12.213 . . . 1.0 . . . . . . . . . . . . A . 2 ASP OD1 . . . . . . . . . c34215_6f7o 1 . 5 . 958 . 1 1 2 ASP OD2 O -5.894 6.336 11.465 . . . 1.0 . . . . . . . . . . . . A . 2 ASP OD2 . . . . . . . . . c34215_6f7o 1 . 5 . 959 . 1 1 3 PRO C C -4.936 8.590 7.306 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . c34215_6f7o 1 . 5 . 960 . 1 1 3 PRO CA C -5.373 7.324 6.576 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . c34215_6f7o 1 . 5 . 961 . 1 1 3 PRO CB C -6.494 7.643 5.583 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . c34215_6f7o 1 . 5 . 962 . 1 1 3 PRO CD C -7.429 6.198 7.243 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . c34215_6f7o 1 . 5 . 963 . 1 1 3 PRO CG C -7.751 7.344 6.326 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . c34215_6f7o 1 . 5 . 964 . 1 1 3 PRO HA H -4.529 6.908 6.045 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . c34215_6f7o 1 . 5 . 965 . 1 1 3 PRO HB2 H -6.441 8.682 5.295 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . c34215_6f7o 1 . 5 . 966 . 1 1 3 PRO HB3 H -6.395 7.015 4.710 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . c34215_6f7o 1 . 5 . 967 . 1 1 3 PRO HD2 H -7.979 6.290 8.168 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . c34215_6f7o 1 . 5 . 968 . 1 1 3 PRO HD3 H -7.649 5.257 6.762 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . c34215_6f7o 1 . 5 . 969 . 1 1 3 PRO HG2 H -8.053 8.210 6.898 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . c34215_6f7o 1 . 5 . 970 . 1 1 3 PRO HG3 H -8.528 7.061 5.632 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . c34215_6f7o 1 . 5 . 971 . 1 1 3 PRO N N -5.982 6.344 7.476 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . c34215_6f7o 1 . 5 . 972 . 1 1 3 PRO O O -5.627 9.608 7.269 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . c34215_6f7o 1 . 5 . 973 . 1 1 4 GLN C C -1.763 9.494 8.966 . . . 1.0 . . . . . . . . . . . . A . 4 GLN C . . . . . . . . . c34215_6f7o 1 . 5 . 974 . 1 1 4 GLN CA C -3.257 9.659 8.706 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CA . . . . . . . . . c34215_6f7o 1 . 5 . 975 . 1 1 4 GLN CB C -4.001 9.823 10.032 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CB . . . . . . . . . c34215_6f7o 1 . 5 . 976 . 1 1 4 GLN CD C -6.314 10.717 10.512 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CD . . . . . . . . . c34215_6f7o 1 . 5 . 977 . 1 1 4 GLN CG C -4.900 11.047 10.079 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CG . . . . . . . . . c34215_6f7o 1 . 5 . 978 . 1 1 4 GLN H H -3.281 7.678 7.960 . . . 1.0 . . . . . . . . . . . . A . 4 GLN H . . . . . . . . . c34215_6f7o 1 . 5 . 979 . 1 1 4 GLN HA H -3.410 10.542 8.106 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HA . . . . . . . . . c34215_6f7o 1 . 5 . 980 . 1 1 4 GLN HB2 H -4.612 8.946 10.200 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HB2 . . . . . . . . . c34215_6f7o 1 . 5 . 981 . 1 1 4 GLN HB3 H -3.276 9.904 10.830 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HB3 . . . . . . . . . c34215_6f7o 1 . 5 . 982 . 1 1 4 GLN HE21 H -6.333 12.287 11.733 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HE21 . . . . . . . . . c34215_6f7o 1 . 5 . 983 . 1 1 4 GLN HE22 H -7.779 11.340 11.704 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HE22 . . . . . . . . . c34215_6f7o 1 . 5 . 984 . 1 1 4 GLN HG2 H -4.483 11.757 10.776 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HG2 . . . . . . . . . c34215_6f7o 1 . 5 . 985 . 1 1 4 GLN HG3 H -4.935 11.489 9.095 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HG3 . . . . . . . . . c34215_6f7o 1 . 5 . 986 . 1 1 4 GLN N N -3.784 8.518 7.967 . . . 1.0 . . . . . . . . . . . . A . 4 GLN N . . . . . . . . . c34215_6f7o 1 . 5 . 987 . 1 1 4 GLN NE2 N -6.864 11.529 11.407 . . . 1.0 . . . . . . . . . . . . A . 4 GLN NE2 . . . . . . . . . c34215_6f7o 1 . 5 . 988 . 1 1 4 GLN O O -0.994 10.451 8.854 . . . 1.0 . . . . . . . . . . . . A . 4 GLN O . . . . . . . . . c34215_6f7o 1 . 5 . 989 . 1 1 4 GLN OE1 O -6.906 9.743 10.048 . . . 1.0 . . . . . . . . . . . . A . 4 GLN OE1 . . . . . . . . . c34215_6f7o 1 . 5 . 990 . 1 1 5 HIS C C 0.829 7.817 8.288 . . . 1.0 . . . . . . . . . . . . A . 5 HIS C . . . . . . . . . c34215_6f7o 1 . 5 . 991 . 1 1 5 HIS CA C 0.047 7.987 9.586 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CA . . . . . . . . . c34215_6f7o 1 . 5 . 992 . 1 1 5 HIS CB C 0.171 6.725 10.441 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CB . . . . . . . . . c34215_6f7o 1 . 5 . 993 . 1 1 5 HIS CD2 C 1.044 7.006 12.868 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CD2 . . . . . . . . . c34215_6f7o 1 . 5 . 994 . 1 1 5 HIS CE1 C 3.196 6.917 12.446 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CE1 . . . . . . . . . c34215_6f7o 1 . 5 . 995 . 1 1 5 HIS CG C 1.192 6.841 11.533 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CG . . . . . . . . . c34215_6f7o 1 . 5 . 996 . 1 1 5 HIS H H -2.016 7.557 9.384 . . . 1.0 . . . . . . . . . . . . A . 5 HIS H . . . . . . . . . c34215_6f7o 1 . 5 . 997 . 1 1 5 HIS HA H 0.457 8.823 10.132 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HA . . . . . . . . . c34215_6f7o 1 . 5 . 998 . 1 1 5 HIS HB2 H -0.783 6.514 10.900 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB2 . . . . . . . . . c34215_6f7o 1 . 5 . 999 . 1 1 5 HIS HB3 H 0.453 5.896 9.809 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB3 . . . . . . . . . c34215_6f7o 1 . 5 . 1000 . 1 1 5 HIS HD1 H 2.977 6.677 10.426 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD1 . . . . . . . . . c34215_6f7o 1 . 5 . 1001 . 1 1 5 HIS HD2 H 0.110 7.086 13.405 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD2 . . . . . . . . . c34215_6f7o 1 . 5 . 1002 . 1 1 5 HIS HE1 H 4.267 6.915 12.572 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HE1 . . . . . . . . . c34215_6f7o 1 . 5 . 1003 . 1 1 5 HIS N N -1.356 8.277 9.312 . . . 1.0 . . . . . . . . . . . . A . 5 HIS N . . . . . . . . . c34215_6f7o 1 . 5 . 1004 . 1 1 5 HIS ND1 N 2.550 6.790 11.300 . . . 1.0 . . . . . . . . . . . . A . 5 HIS ND1 . . . . . . . . . c34215_6f7o 1 . 5 . 1005 . 1 1 5 HIS NE2 N 2.304 7.049 13.412 . . . 1.0 . . . . . . . . . . . . A . 5 HIS NE2 . . . . . . . . . c34215_6f7o 1 . 5 . 1006 . 1 1 5 HIS O O 2.044 8.018 8.288 . . . 1.0 . . . . . . . . . . . . A . 5 HIS O . . . . . . . . . c34215_6f7o 1 . 5 . 1007 . 1 1 6 . C C 1.343 8.533 5.476 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 C . . . . . . . . . c34215_6f7o 1 . 5 . 1008 . 1 1 6 . CA C 0.773 7.165 5.869 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 CA . . . . . . . . . c34215_6f7o 1 . 5 . 1009 . 1 1 6 . CB C -0.333 6.751 4.845 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 CB . . . . . . . . . c34215_6f7o 1 . 5 . 1010 . 1 1 6 . CB1 C 1.864 6.049 5.898 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 CB1 . . . . . . . . . c34215_6f7o 1 . 5 . 1011 . 1 1 6 . CD C -0.185 7.870 2.499 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 CD . . . . . . . . . c34215_6f7o 1 . 5 . 1012 . 1 1 6 . CE C 0.614 7.834 1.209 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 CE . . . . . . . . . c34215_6f7o 1 . 5 . 1013 . 1 1 6 . CG C 0.152 6.639 3.369 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 CG . . . . . . . . . c34215_6f7o 1 . 5 . 1014 . 1 1 6 . HB H -0.726 5.775 5.147 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HB . . . . . . . . . c34215_6f7o 1 . 5 . 1015 . 1 1 6 . HB1 H 2.460 6.017 4.984 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HB1 . . . . . . . . . c34215_6f7o 1 . 5 . 1016 . 1 1 6 . HB1A H 2.567 6.188 6.717 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HB1A . . . . . . . . . c34215_6f7o 1 . 5 . 1017 . 1 1 6 . HB1B H 1.406 5.065 6.039 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HB1B . . . . . . . . . c34215_6f7o 1 . 5 . 1018 . 1 1 6 . HBA H -1.183 7.438 4.901 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HBA . . . . . . . . . c34215_6f7o 1 . 5 . 1019 . 1 1 6 . HD H -1.252 7.858 2.268 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HD . . . . . . . . . c34215_6f7o 1 . 5 . 1020 . 1 1 6 . HDA H -0.003 8.783 3.056 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HDA . . . . . . . . . c34215_6f7o 1 . 5 . 1021 . 1 1 6 . HE H 0.325 7.044 0.520 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HE . . . . . . . . . c34215_6f7o 1 . 5 . 1022 . 1 1 6 . HG H 1.227 6.477 3.320 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HG . . . . . . . . . c34215_6f7o 1 . 5 . 1023 . 1 1 6 . HGA H -0.306 5.756 2.913 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HGA . . . . . . . . . c34215_6f7o 1 . 5 . 1024 . 1 1 6 . HN H -0.785 7.031 7.329 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HN . . . . . . . . . c34215_6f7o 1 . 5 . 1025 . 1 1 6 . N N 0.180 7.301 7.217 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 N . . . . . . . . . c34215_6f7o 1 . 5 . 1026 . 1 1 6 . O O 2.508 8.718 5.199 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 O . . . . . . . . . c34215_6f7o 1 . 5 . 1027 . 1 1 7 ARG C C 1.877 11.480 6.285 . . . 1.0 . . . . . . . . . . . . A . 7 ARG C . . . . . . . . . c34215_6f7o 1 . 5 . 1028 . 1 1 7 ARG CA C 0.776 10.971 5.359 . . . 1.0 . . . . . . . . . . . . A . 7 ARG CA . . . . . . . . . c34215_6f7o 1 . 5 . 1029 . 1 1 7 ARG CB C -0.484 11.822 5.533 . . . 1.0 . . . . . . . . . . . . A . 7 ARG CB . . . . . . . . . c34215_6f7o 1 . 5 . 1030 . 1 1 7 ARG CD C -1.633 13.521 4.081 . . . 1.0 . . . . . . . . . . . . A . 7 ARG CD . . . . . . . . . c34215_6f7o 1 . 5 . 1031 . 1 1 7 ARG CG C -0.386 13.194 4.887 . . . 1.0 . . . . . . . . . . . . A . 7 ARG CG . . . . . . . . . c34215_6f7o 1 . 5 . 1032 . 1 1 7 ARG CZ C -2.546 15.479 2.906 . . . 1.0 . . . . . . . . . . . . A . 7 ARG CZ . . . . . . . . . c34215_6f7o 1 . 5 . 1033 . 1 1 7 ARG H H -0.430 9.312 5.880 . . . 1.0 . . . . . . . . . . . . A . 7 ARG H . . . . . . . . . c34215_6f7o 1 . 5 . 1034 . 1 1 7 ARG HA H 1.117 11.052 4.338 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HA . . . . . . . . . c34215_6f7o 1 . 5 . 1035 . 1 1 7 ARG HB2 H -1.320 11.300 5.091 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HB2 . . . . . . . . . c34215_6f7o 1 . 5 . 1036 . 1 1 7 ARG HB3 H -0.670 11.956 6.587 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HB3 . . . . . . . . . c34215_6f7o 1 . 5 . 1037 . 1 1 7 ARG HD2 H -1.800 12.731 3.366 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HD2 . . . . . . . . . c34215_6f7o 1 . 5 . 1038 . 1 1 7 ARG HD3 H -2.475 13.579 4.756 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HD3 . . . . . . . . . c34215_6f7o 1 . 5 . 1039 . 1 1 7 ARG HE H -0.605 15.144 3.230 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HE . . . . . . . . . c34215_6f7o 1 . 5 . 1040 . 1 1 7 ARG HG2 H -0.264 13.938 5.660 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HG2 . . . . . . . . . c34215_6f7o 1 . 5 . 1041 . 1 1 7 ARG HG3 H 0.470 13.212 4.230 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HG3 . . . . . . . . . c34215_6f7o 1 . 5 . 1042 . 1 1 7 ARG HH11 H -4.560 15.544 2.732 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HH11 . . . . . . . . . c34215_6f7o 1 . 5 . 1043 . 1 1 7 ARG HH12 H -3.928 14.160 3.563 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HH12 . . . . . . . . . c34215_6f7o 1 . 5 . 1044 . 1 1 7 ARG HH21 H -3.133 17.142 1.921 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HH21 . . . . . . . . . c34215_6f7o 1 . 5 . 1045 . 1 1 7 ARG HH22 H -1.422 16.971 2.135 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HH22 . . . . . . . . . c34215_6f7o 1 . 5 . 1046 . 1 1 7 ARG N N 0.481 9.568 5.624 . . . 1.0 . . . . . . . . . . . . A . 7 ARG N . . . . . . . . . c34215_6f7o 1 . 5 . 1047 . 1 1 7 ARG NE N -1.508 14.790 3.369 . . . 1.0 . . . . . . . . . . . . A . 7 ARG NE . . . . . . . . . c34215_6f7o 1 . 5 . 1048 . 1 1 7 ARG NH1 N -3.780 15.023 3.082 . . . 1.0 . . . . . . . . . . . . A . 7 ARG NH1 . . . . . . . . . c34215_6f7o 1 . 5 . 1049 . 1 1 7 ARG NH2 N -2.351 16.625 2.269 . . . 1.0 . . . . . . . . . . . . A . 7 ARG NH2 . . . . . . . . . c34215_6f7o 1 . 5 . 1050 . 1 1 7 ARG O O 2.828 12.125 5.844 . . . 1.0 . . . . . . . . . . . . A . 7 ARG O . . . . . . . . . c34215_6f7o 1 . 5 . 1051 . 1 1 8 LYS C C 4.120 11.113 8.194 . . . 1.0 . . . . . . . . . . . . A . 8 LYS C . . . . . . . . . c34215_6f7o 1 . 5 . 1052 . 1 1 8 LYS CA C 2.725 11.608 8.564 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CA . . . . . . . . . c34215_6f7o 1 . 5 . 1053 . 1 1 8 LYS CB C 2.339 11.090 9.951 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CB . . . . . . . . . c34215_6f7o 1 . 5 . 1054 . 1 1 8 LYS CD C 4.076 12.482 11.115 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CD . . . . . . . . . c34215_6f7o 1 . 5 . 1055 . 1 1 8 LYS CE C 5.317 12.456 11.998 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CE . . . . . . . . . c34215_6f7o 1 . 5 . 1056 . 1 1 8 LYS CG C 3.489 11.090 10.943 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CG . . . . . . . . . c34215_6f7o 1 . 5 . 1057 . 1 1 8 LYS H H 0.963 10.666 7.866 . . . 1.0 . . . . . . . . . . . . A . 8 LYS H . . . . . . . . . c34215_6f7o 1 . 5 . 1058 . 1 1 8 LYS HA H 2.733 12.689 8.581 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HA . . . . . . . . . c34215_6f7o 1 . 5 . 1059 . 1 1 8 LYS HB2 H 1.550 11.711 10.347 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB2 . . . . . . . . . c34215_6f7o 1 . 5 . 1060 . 1 1 8 LYS HB3 H 1.974 10.077 9.855 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB3 . . . . . . . . . c34215_6f7o 1 . 5 . 1061 . 1 1 8 LYS HD2 H 4.344 12.874 10.147 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD2 . . . . . . . . . c34215_6f7o 1 . 5 . 1062 . 1 1 8 LYS HD3 H 3.333 13.121 11.573 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD3 . . . . . . . . . c34215_6f7o 1 . 5 . 1063 . 1 1 8 LYS HE2 H 5.712 11.453 12.012 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE2 . . . . . . . . . c34215_6f7o 1 . 5 . 1064 . 1 1 8 LYS HE3 H 6.051 13.127 11.579 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE3 . . . . . . . . . c34215_6f7o 1 . 5 . 1065 . 1 1 8 LYS HG2 H 3.130 10.741 11.899 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG2 . . . . . . . . . c34215_6f7o 1 . 5 . 1066 . 1 1 8 LYS HG3 H 4.263 10.426 10.582 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG3 . . . . . . . . . c34215_6f7o 1 . 5 . 1067 . 1 1 8 LYS HZ1 H 4.083 12.516 13.681 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ1 . . . . . . . . . c34215_6f7o 1 . 5 . 1068 . 1 1 8 LYS HZ2 H 5.003 13.917 13.456 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ2 . . . . . . . . . c34215_6f7o 1 . 5 . 1069 . 1 1 8 LYS HZ3 H 5.736 12.509 14.041 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ3 . . . . . . . . . c34215_6f7o 1 . 5 . 1070 . 1 1 8 LYS N N 1.742 11.184 7.573 . . . 1.0 . . . . . . . . . . . . A . 8 LYS N . . . . . . . . . c34215_6f7o 1 . 5 . 1071 . 1 1 8 LYS NZ N 5.015 12.879 13.393 . . . 1.0 . . . . . . . . . . . . A . 8 LYS NZ . . . . . . . . . c34215_6f7o 1 . 5 . 1072 . 1 1 8 LYS O O 5.086 11.876 8.219 . . . 1.0 . . . . . . . . . . . . A . 8 LYS O . . . . . . . . . c34215_6f7o 1 . 5 . 1073 . 1 1 9 LEU C C 5.972 9.780 6.130 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . c34215_6f7o 1 . 5 . 1074 . 1 1 9 LEU CA C 5.493 9.238 7.473 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . c34215_6f7o 1 . 5 . 1075 . 1 1 9 LEU CB C 5.367 7.715 7.405 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . c34215_6f7o 1 . 5 . 1076 . 1 1 9 LEU CD1 C 5.163 5.624 8.772 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . c34215_6f7o 1 . 5 . 1077 . 1 1 9 LEU CD2 C 7.397 6.708 8.480 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . c34215_6f7o 1 . 5 . 1078 . 1 1 9 LEU CG C 5.899 6.944 8.614 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . c34215_6f7o 1 . 5 . 1079 . 1 1 9 LEU H H 3.411 9.276 7.848 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . c34215_6f7o 1 . 5 . 1080 . 1 1 9 LEU HA H 6.217 9.498 8.231 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . c34215_6f7o 1 . 5 . 1081 . 1 1 9 LEU HB2 H 4.320 7.473 7.295 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . c34215_6f7o 1 . 5 . 1082 . 1 1 9 LEU HB3 H 5.906 7.378 6.533 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . c34215_6f7o 1 . 5 . 1083 . 1 1 9 LEU HD11 H 5.730 4.836 8.302 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . c34215_6f7o 1 . 5 . 1084 . 1 1 9 LEU HD12 H 4.191 5.696 8.304 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . c34215_6f7o 1 . 5 . 1085 . 1 1 9 LEU HD13 H 5.040 5.402 9.822 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . c34215_6f7o 1 . 5 . 1086 . 1 1 9 LEU HD21 H 7.817 6.496 9.450 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . c34215_6f7o 1 . 5 . 1087 . 1 1 9 LEU HD22 H 7.865 7.592 8.071 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . c34215_6f7o 1 . 5 . 1088 . 1 1 9 LEU HD23 H 7.572 5.870 7.820 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . c34215_6f7o 1 . 5 . 1089 . 1 1 9 LEU HG H 5.732 7.529 9.508 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . c34215_6f7o 1 . 5 . 1090 . 1 1 9 LEU N N 4.217 9.834 7.851 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . c34215_6f7o 1 . 5 . 1091 . 1 1 9 LEU O O 7.178 9.884 5.919 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . c34215_6f7o 1 . 5 . 1092 . 1 1 10 . C C 5.996 11.999 4.062 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 C . . . . . . . . . c34215_6f7o 1 . 5 . 1093 . 1 1 10 . CA C 5.409 10.602 3.811 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 CA . . . . . . . . . c34215_6f7o 1 . 5 . 1094 . 1 1 10 . CB C 4.124 10.800 2.945 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 CB . . . . . . . . . c34215_6f7o 1 . 5 . 1095 . 1 1 10 . CB1 C 6.428 9.739 3.008 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 CB1 . . . . . . . . . c34215_6f7o 1 . 5 . 1096 . 1 1 10 . CD C 2.171 9.826 1.629 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 CD . . . . . . . . . c34215_6f7o 1 . 5 . 1097 . 1 1 10 . CE C 1.621 8.645 0.852 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 CE . . . . . . . . . c34215_6f7o 1 . 5 . 1098 . 1 1 10 . CG C 3.562 9.537 2.238 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 CG . . . . . . . . . c34215_6f7o 1 . 5 . 1099 . 1 1 10 . HB H 3.343 11.230 3.569 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HB . . . . . . . . . c34215_6f7o 1 . 5 . 1100 . 1 1 10 . HB1 H 6.534 10.111 1.988 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HB1 . . . . . . . . . c34215_6f7o 1 . 5 . 1101 . 1 1 10 . HB1A H 7.423 9.759 3.459 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HB1A . . . . . . . . . c34215_6f7o 1 . 5 . 1102 . 1 1 10 . HB1B H 6.109 8.694 2.961 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HB1B . . . . . . . . . c34215_6f7o 1 . 5 . 1103 . 1 1 10 . HBA H 4.333 11.545 2.171 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HBA . . . . . . . . . c34215_6f7o 1 . 5 . 1104 . 1 1 10 . HD H 1.487 10.138 2.415 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HD . . . . . . . . . c34215_6f7o 1 . 5 . 1105 . 1 1 10 . HDA H 2.253 10.673 0.948 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HDA . . . . . . . . . c34215_6f7o 1 . 5 . 1106 . 1 1 10 . HE H 2.097 8.474 -0.108 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HE . . . . . . . . . c34215_6f7o 1 . 5 . 1107 . 1 1 10 . HG H 4.237 9.237 1.433 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HG . . . . . . . . . c34215_6f7o 1 . 5 . 1108 . 1 1 10 . HGA H 3.493 8.699 2.931 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HGA . . . . . . . . . c34215_6f7o 1 . 5 . 1109 . 1 1 10 . HN H 4.112 9.797 5.313 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HN . . . . . . . . . c34215_6f7o 1 . 5 . 1110 . 1 1 10 . N N 5.085 9.976 5.123 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 N . . . . . . . . . c34215_6f7o 1 . 5 . 1111 . 1 1 10 . O O 6.965 12.438 3.471 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 O . . . . . . . . . c34215_6f7o 1 . 5 . 1112 . 1 1 11 GLN C C 7.164 13.955 6.168 . . . 1.0 . . . . . . . . . . . . A . 11 GLN C . . . . . . . . . c34215_6f7o 1 . 5 . 1113 . 1 1 11 GLN CA C 5.806 14.039 5.479 . . . 1.0 . . . . . . . . . . . . A . 11 GLN CA . . . . . . . . . c34215_6f7o 1 . 5 . 1114 . 1 1 11 GLN CB C 4.772 14.638 6.434 . . . 1.0 . . . . . . . . . . . . A . 11 GLN CB . . . . . . . . . c34215_6f7o 1 . 5 . 1115 . 1 1 11 GLN CD C 5.589 16.887 7.244 . . . 1.0 . . . . . . . . . . . . A . 11 GLN CD . . . . . . . . . c34215_6f7o 1 . 5 . 1116 . 1 1 11 GLN CG C 4.642 16.149 6.319 . . . 1.0 . . . . . . . . . . . . A . 11 GLN CG . . . . . . . . . c34215_6f7o 1 . 5 . 1117 . 1 1 11 GLN H H 4.523 12.361 5.350 . . . 1.0 . . . . . . . . . . . . A . 11 GLN H . . . . . . . . . c34215_6f7o 1 . 5 . 1118 . 1 1 11 GLN HA H 5.894 14.676 4.611 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HA . . . . . . . . . c34215_6f7o 1 . 5 . 1119 . 1 1 11 GLN HB2 H 3.808 14.199 6.224 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HB2 . . . . . . . . . c34215_6f7o 1 . 5 . 1120 . 1 1 11 GLN HB3 H 5.056 14.400 7.448 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HB3 . . . . . . . . . c34215_6f7o 1 . 5 . 1121 . 1 1 11 GLN HE21 H 5.930 18.255 5.845 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HE21 . . . . . . . . . c34215_6f7o 1 . 5 . 1122 . 1 1 11 GLN HE22 H 6.769 18.486 7.338 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HE22 . . . . . . . . . c34215_6f7o 1 . 5 . 1123 . 1 1 11 GLN HG2 H 4.859 16.439 5.301 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HG2 . . . . . . . . . c34215_6f7o 1 . 5 . 1124 . 1 1 11 GLN HG3 H 3.629 16.429 6.562 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HG3 . . . . . . . . . c34215_6f7o 1 . 5 . 1125 . 1 1 11 GLN N N 5.371 12.723 5.021 . . . 1.0 . . . . . . . . . . . . A . 11 GLN N . . . . . . . . . c34215_6f7o 1 . 5 . 1126 . 1 1 11 GLN NE2 N 6.153 17.988 6.759 . . . 1.0 . . . . . . . . . . . . A . 11 GLN NE2 . . . . . . . . . c34215_6f7o 1 . 5 . 1127 . 1 1 11 GLN O O 7.888 14.945 6.255 . . . 1.0 . . . . . . . . . . . . A . 11 GLN O . . . . . . . . . c34215_6f7o 1 . 5 . 1128 . 1 1 11 GLN OE1 O 5.809 16.475 8.382 . . . 1.0 . . . . . . . . . . . . A . 11 GLN OE1 . . . . . . . . . c34215_6f7o 1 . 5 . 1129 . 1 1 12 ALA C C 9.900 12.309 6.335 . . . 1.0 . . . . . . . . . . . . A . 12 ALA C . . . . . . . . . c34215_6f7o 1 . 5 . 1130 . 1 1 12 ALA CA C 8.773 12.552 7.336 . . . 1.0 . . . . . . . . . . . . A . 12 ALA CA . . . . . . . . . c34215_6f7o 1 . 5 . 1131 . 1 1 12 ALA CB C 8.664 11.384 8.305 . . . 1.0 . . . . . . . . . . . . A . 12 ALA CB . . . . . . . . . c34215_6f7o 1 . 5 . 1132 . 1 1 12 ALA H H 6.881 12.014 6.555 . . . 1.0 . . . . . . . . . . . . A . 12 ALA H . . . . . . . . . c34215_6f7o 1 . 5 . 1133 . 1 1 12 ALA HA H 8.998 13.441 7.907 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HA . . . . . . . . . c34215_6f7o 1 . 5 . 1134 . 1 1 12 ALA HB1 H 7.780 11.503 8.914 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB1 . . . . . . . . . c34215_6f7o 1 . 5 . 1135 . 1 1 12 ALA HB2 H 8.595 10.461 7.747 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB2 . . . . . . . . . c34215_6f7o 1 . 5 . 1136 . 1 1 12 ALA HB3 H 9.539 11.358 8.937 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB3 . . . . . . . . . c34215_6f7o 1 . 5 . 1137 . 1 1 12 ALA N N 7.501 12.765 6.655 . . . 1.0 . . . . . . . . . . . . A . 12 ALA N . . . . . . . . . c34215_6f7o 1 . 5 . 1138 . 1 1 12 ALA O O 10.929 12.979 6.372 . . . 1.0 . . . . . . . . . . . . A . 12 ALA O . . . . . . . . . c34215_6f7o 1 . 5 . 1139 . 1 1 13 ALA C C 12.020 10.651 5.070 . . . 1.0 . . . . . . . . . . . . A . 13 ALA C . . . . . . . . . c34215_6f7o 1 . 5 . 1140 . 1 1 13 ALA CA C 10.686 11.016 4.430 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CA . . . . . . . . . c34215_6f7o 1 . 5 . 1141 . 1 1 13 ALA CB C 10.864 12.181 3.465 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CB . . . . . . . . . c34215_6f7o 1 . 5 . 1142 . 1 1 13 ALA H H 8.847 10.848 5.464 . . . 1.0 . . . . . . . . . . . . A . 13 ALA H . . . . . . . . . c34215_6f7o 1 . 5 . 1143 . 1 1 13 ALA HA H 10.324 10.168 3.868 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HA . . . . . . . . . c34215_6f7o 1 . 5 . 1144 . 1 1 13 ALA HB1 H 10.814 11.815 2.449 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB1 . . . . . . . . . c34215_6f7o 1 . 5 . 1145 . 1 1 13 ALA HB2 H 10.079 12.905 3.628 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB2 . . . . . . . . . c34215_6f7o 1 . 5 . 1146 . 1 1 13 ALA HB3 H 11.825 12.643 3.634 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB3 . . . . . . . . . c34215_6f7o 1 . 5 . 1147 . 1 1 13 ALA N N 9.690 11.347 5.442 . . . 1.0 . . . . . . . . . . . . A . 13 ALA N . . . . . . . . . c34215_6f7o 1 . 5 . 1148 . 1 1 13 ALA O O 12.110 10.488 6.288 . . . 1.0 . . . . . . . . . . . . A . 13 ALA O . . . . . . . . . c34215_6f7o 1 . 5 . 1149 . 1 1 14 ARG C C 15.091 11.399 5.305 . . . 1.0 . . . . . . . . . . . . A . 14 ARG C . . . . . . . . . c34215_6f7o 1 . 5 . 1150 . 1 1 14 ARG CA C 14.383 10.174 4.733 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CA . . . . . . . . . c34215_6f7o 1 . 5 . 1151 . 1 1 14 ARG CB C 15.219 9.569 3.604 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CB . . . . . . . . . c34215_6f7o 1 . 5 . 1152 . 1 1 14 ARG CD C 15.596 7.503 2.222 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CD . . . . . . . . . c34215_6f7o 1 . 5 . 1153 . 1 1 14 ARG CG C 14.571 8.365 2.944 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CG . . . . . . . . . c34215_6f7o 1 . 5 . 1154 . 1 1 14 ARG CZ C 14.613 7.054 0.016 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CZ . . . . . . . . . c34215_6f7o 1 . 5 . 1155 . 1 1 14 ARG H H 12.919 10.667 3.286 . . . 1.0 . . . . . . . . . . . . A . 14 ARG H . . . . . . . . . c34215_6f7o 1 . 5 . 1156 . 1 1 14 ARG HA H 14.267 9.444 5.518 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HA . . . . . . . . . c34215_6f7o 1 . 5 . 1157 . 1 1 14 ARG HB2 H 15.384 10.321 2.848 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB2 . . . . . . . . . c34215_6f7o 1 . 5 . 1158 . 1 1 14 ARG HB3 H 16.175 9.261 4.007 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB3 . . . . . . . . . c34215_6f7o 1 . 5 . 1159 . 1 1 14 ARG HD2 H 16.583 7.789 2.553 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD2 . . . . . . . . . c34215_6f7o 1 . 5 . 1160 . 1 1 14 ARG HD3 H 15.418 6.469 2.474 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD3 . . . . . . . . . c34215_6f7o 1 . 5 . 1161 . 1 1 14 ARG HE H 16.178 8.245 0.344 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HE . . . . . . . . . c34215_6f7o 1 . 5 . 1162 . 1 1 14 ARG HG2 H 14.085 7.768 3.701 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG2 . . . . . . . . . c34215_6f7o 1 . 5 . 1163 . 1 1 14 ARG HG3 H 13.837 8.710 2.230 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG3 . . . . . . . . . c34215_6f7o 1 . 5 . 1164 . 1 1 14 ARG HH11 H 13.025 5.803 -0.006 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH11 . . . . . . . . . c34215_6f7o 1 . 5 . 1165 . 1 1 14 ARG HH12 H 13.709 6.111 1.557 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH12 . . . . . . . . . c34215_6f7o 1 . 5 . 1166 . 1 1 14 ARG HH21 H 13.923 6.789 -1.867 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH21 . . . . . . . . . c34215_6f7o 1 . 5 . 1167 . 1 1 14 ARG HH22 H 15.286 7.848 -1.717 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH22 . . . . . . . . . c34215_6f7o 1 . 5 . 1168 . 1 1 14 ARG N N 13.055 10.524 4.247 . . . 1.0 . . . . . . . . . . . . A . 14 ARG N . . . . . . . . . c34215_6f7o 1 . 5 . 1169 . 1 1 14 ARG NE N 15.519 7.659 0.774 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NE . . . . . . . . . c34215_6f7o 1 . 5 . 1170 . 1 1 14 ARG NH1 N 13.708 6.256 0.568 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH1 . . . . . . . . . c34215_6f7o 1 . 5 . 1171 . 1 1 14 ARG NH2 N 14.607 7.247 -1.297 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH2 . . . . . . . . . c34215_6f7o 1 . 5 . 1172 . 1 1 14 ARG O O 15.307 12.365 4.575 . . . 1.0 . . . . . . . . . . . . A . 14 ARG O . . . . . . . . . c34215_6f7o 1 . 5 . 1173 . 1 1 15 NH2 HN1 H 15.225 10.513 7.114 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 HN1 . . . . . . . . . c34215_6f7o 1 . 5 . 1174 . 1 1 15 NH2 HN2 H 15.901 12.105 7.016 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 HN2 . . . . . . . . . c34215_6f7o 1 . 5 . 1175 . 1 1 15 NH2 N N 15.433 11.333 6.584 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 N . . . . . . . . . c34215_6f7o 1 . 6 . 1176 . 1 1 1 ACE C C -5.415 2.350 8.410 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . c34215_6f7o 1 . 6 . 1177 . 1 1 1 ACE CH3 C -6.027 1.260 7.601 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . c34215_6f7o 1 . 6 . 1178 . 1 1 1 ACE H1 H -7.072 1.138 7.886 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . c34215_6f7o 1 . 6 . 1179 . 1 1 1 ACE H2 H -5.968 1.516 6.542 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . c34215_6f7o 1 . 6 . 1180 . 1 1 1 ACE H3 H -5.491 0.328 7.782 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . c34215_6f7o 1 . 6 . 1181 . 1 1 1 ACE O O -5.702 2.522 9.596 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . c34215_6f7o 1 . 6 . 1182 . 1 1 2 ASP C C -3.497 5.308 7.402 . . . 1.0 . . . . . . . . . . . . A . 2 ASP C . . . . . . . . . c34215_6f7o 1 . 6 . 1183 . 1 1 2 ASP CA C -3.860 4.224 8.412 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CA . . . . . . . . . c34215_6f7o 1 . 6 . 1184 . 1 1 2 ASP CB C -2.598 3.726 9.119 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CB . . . . . . . . . c34215_6f7o 1 . 6 . 1185 . 1 1 2 ASP CG C -1.772 2.802 8.251 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CG . . . . . . . . . c34215_6f7o 1 . 6 . 1186 . 1 1 2 ASP H H -4.357 2.926 6.814 . . . 1.0 . . . . . . . . . . . . A . 2 ASP H . . . . . . . . . c34215_6f7o 1 . 6 . 1187 . 1 1 2 ASP HA H -4.531 4.642 9.145 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HA . . . . . . . . . c34215_6f7o 1 . 6 . 1188 . 1 1 2 ASP HB2 H -1.989 4.575 9.391 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HB2 . . . . . . . . . c34215_6f7o 1 . 6 . 1189 . 1 1 2 ASP HB3 H -2.883 3.193 10.014 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HB3 . . . . . . . . . c34215_6f7o 1 . 6 . 1190 . 1 1 2 ASP N N -4.544 3.113 7.758 . . . 1.0 . . . . . . . . . . . . A . 2 ASP N . . . . . . . . . c34215_6f7o 1 . 6 . 1191 . 1 1 2 ASP O O -2.331 5.522 7.077 . . . 1.0 . . . . . . . . . . . . A . 2 ASP O . . . . . . . . . c34215_6f7o 1 . 6 . 1192 . 1 1 2 ASP OD1 O -1.068 1.933 8.808 . . . 1.0 . . . . . . . . . . . . A . 2 ASP OD1 . . . . . . . . . c34215_6f7o 1 . 6 . 1193 . 1 1 2 ASP OD2 O -1.829 2.945 7.010 . . . 1.0 . . . . . . . . . . . . A . 2 ASP OD2 . . . . . . . . . c34215_6f7o 1 . 6 . 1194 . 1 1 3 PRO C C -3.667 8.312 6.519 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . c34215_6f7o 1 . 6 . 1195 . 1 1 3 PRO CA C -4.336 7.082 5.912 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . c34215_6f7o 1 . 6 . 1196 . 1 1 3 PRO CB C -5.764 7.412 5.471 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . c34215_6f7o 1 . 6 . 1197 . 1 1 3 PRO CD C -5.939 5.807 7.234 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . c34215_6f7o 1 . 6 . 1198 . 1 1 3 PRO CG C -6.618 6.999 6.619 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . c34215_6f7o 1 . 6 . 1199 . 1 1 3 PRO HA H -3.762 6.747 5.058 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . c34215_6f7o 1 . 6 . 1200 . 1 1 3 PRO HB2 H -5.848 8.471 5.276 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . c34215_6f7o 1 . 6 . 1201 . 1 1 3 PRO HB3 H -6.007 6.855 4.579 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . c34215_6f7o 1 . 6 . 1202 . 1 1 3 PRO HD2 H -6.080 5.802 8.305 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . c34215_6f7o 1 . 6 . 1203 . 1 1 3 PRO HD3 H -6.313 4.891 6.798 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . c34215_6f7o 1 . 6 . 1204 . 1 1 3 PRO HG2 H -6.686 7.803 7.335 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . c34215_6f7o 1 . 6 . 1205 . 1 1 3 PRO HG3 H -7.602 6.728 6.265 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . c34215_6f7o 1 . 6 . 1206 . 1 1 3 PRO N N -4.522 6.008 6.892 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . c34215_6f7o 1 . 6 . 1207 . 1 1 3 PRO O O -3.053 9.107 5.809 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . c34215_6f7o 1 . 6 . 1208 . 1 1 4 GLN C C -1.701 9.396 8.719 . . . 1.0 . . . . . . . . . . . . A . 4 GLN C . . . . . . . . . c34215_6f7o 1 . 6 . 1209 . 1 1 4 GLN CA C -3.201 9.594 8.533 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CA . . . . . . . . . c34215_6f7o 1 . 6 . 1210 . 1 1 4 GLN CB C -3.874 9.786 9.894 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CB . . . . . . . . . c34215_6f7o 1 . 6 . 1211 . 1 1 4 GLN CD C -5.968 10.969 10.670 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CD . . . . . . . . . c34215_6f7o 1 . 6 . 1212 . 1 1 4 GLN CG C -5.391 9.854 9.819 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CG . . . . . . . . . c34215_6f7o 1 . 6 . 1213 . 1 1 4 GLN H H -4.295 7.791 8.343 . . . 1.0 . . . . . . . . . . . . A . 4 GLN H . . . . . . . . . c34215_6f7o 1 . 6 . 1214 . 1 1 4 GLN HA H -3.365 10.475 7.932 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HA . . . . . . . . . c34215_6f7o 1 . 6 . 1215 . 1 1 4 GLN HB2 H -3.602 8.961 10.535 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HB2 . . . . . . . . . c34215_6f7o 1 . 6 . 1216 . 1 1 4 GLN HB3 H -3.515 10.706 10.332 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HB3 . . . . . . . . . c34215_6f7o 1 . 6 . 1217 . 1 1 4 GLN HE21 H -6.103 12.150 9.075 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HE21 . . . . . . . . . c34215_6f7o 1 . 6 . 1218 . 1 1 4 GLN HE22 H -6.642 12.834 10.565 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HE22 . . . . . . . . . c34215_6f7o 1 . 6 . 1219 . 1 1 4 GLN HG2 H -5.680 10.018 8.792 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HG2 . . . . . . . . . c34215_6f7o 1 . 6 . 1220 . 1 1 4 GLN HG3 H -5.797 8.914 10.159 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HG3 . . . . . . . . . c34215_6f7o 1 . 6 . 1221 . 1 1 4 GLN N N -3.793 8.459 7.833 . . . 1.0 . . . . . . . . . . . . A . 4 GLN N . . . . . . . . . c34215_6f7o 1 . 6 . 1222 . 1 1 4 GLN NE2 N -6.266 12.099 10.041 . . . 1.0 . . . . . . . . . . . . A . 4 GLN NE2 . . . . . . . . . c34215_6f7o 1 . 6 . 1223 . 1 1 4 GLN O O -0.895 10.199 8.245 . . . 1.0 . . . . . . . . . . . . A . 4 GLN O . . . . . . . . . c34215_6f7o 1 . 6 . 1224 . 1 1 4 GLN OE1 O -6.141 10.816 11.879 . . . 1.0 . . . . . . . . . . . . A . 4 GLN OE1 . . . . . . . . . c34215_6f7o 1 . 6 . 1225 . 1 1 5 HIS C C 0.832 7.847 8.345 . . . 1.0 . . . . . . . . . . . . A . 5 HIS C . . . . . . . . . c34215_6f7o 1 . 6 . 1226 . 1 1 5 HIS CA C 0.075 8.019 9.657 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CA . . . . . . . . . c34215_6f7o 1 . 6 . 1227 . 1 1 5 HIS CB C 0.204 6.755 10.504 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CB . . . . . . . . . c34215_6f7o 1 . 6 . 1228 . 1 1 5 HIS CD2 C 1.182 7.282 12.850 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CD2 . . . . . . . . . c34215_6f7o 1 . 6 . 1229 . 1 1 5 HIS CE1 C 3.256 6.672 12.476 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CE1 . . . . . . . . . c34215_6f7o 1 . 6 . 1230 . 1 1 5 HIS CG C 1.255 6.850 11.569 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CG . . . . . . . . . c34215_6f7o 1 . 6 . 1231 . 1 1 5 HIS H H -2.020 7.722 9.762 . . . 1.0 . . . . . . . . . . . . A . 5 HIS H . . . . . . . . . c34215_6f7o 1 . 6 . 1232 . 1 1 5 HIS HA H 0.503 8.851 10.198 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HA . . . . . . . . . c34215_6f7o 1 . 6 . 1233 . 1 1 5 HIS HB2 H -0.740 6.556 10.990 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB2 . . . . . . . . . c34215_6f7o 1 . 6 . 1234 . 1 1 5 HIS HB3 H 0.455 5.921 9.864 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB3 . . . . . . . . . c34215_6f7o 1 . 6 . 1235 . 1 1 5 HIS HD1 H 2.938 6.119 10.533 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD1 . . . . . . . . . c34215_6f7o 1 . 6 . 1236 . 1 1 5 HIS HD2 H 0.300 7.654 13.351 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD2 . . . . . . . . . c34215_6f7o 1 . 6 . 1237 . 1 1 5 HIS HE1 H 4.307 6.468 12.613 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HE1 . . . . . . . . . c34215_6f7o 1 . 6 . 1238 . 1 1 5 HIS N N -1.330 8.323 9.409 . . . 1.0 . . . . . . . . . . . . A . 5 HIS N . . . . . . . . . c34215_6f7o 1 . 6 . 1239 . 1 1 5 HIS ND1 N 2.567 6.476 11.366 . . . 1.0 . . . . . . . . . . . . A . 5 HIS ND1 . . . . . . . . . c34215_6f7o 1 . 6 . 1240 . 1 1 5 HIS NE2 N 2.438 7.161 13.392 . . . 1.0 . . . . . . . . . . . . A . 5 HIS NE2 . . . . . . . . . c34215_6f7o 1 . 6 . 1241 . 1 1 5 HIS O O 2.048 8.035 8.322 . . . 1.0 . . . . . . . . . . . . A . 5 HIS O . . . . . . . . . c34215_6f7o 1 . 6 . 1242 . 1 1 6 . C C 1.315 8.574 5.535 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 C . . . . . . . . . c34215_6f7o 1 . 6 . 1243 . 1 1 6 . CA C 0.766 7.195 5.923 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 CA . . . . . . . . . c34215_6f7o 1 . 6 . 1244 . 1 1 6 . CB C -0.317 6.772 4.882 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 CB . . . . . . . . . c34215_6f7o 1 . 6 . 1245 . 1 1 6 . CB1 C 1.861 6.082 5.952 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 CB1 . . . . . . . . . c34215_6f7o 1 . 6 . 1246 . 1 1 6 . CD C -0.288 7.868 2.533 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 CD . . . . . . . . . c34215_6f7o 1 . 6 . 1247 . 1 1 6 . CE C 0.483 7.872 1.228 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 CE . . . . . . . . . c34215_6f7o 1 . 6 . 1248 . 1 1 6 . CG C 0.194 6.699 3.413 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 CG . . . . . . . . . c34215_6f7o 1 . 6 . 1249 . 1 1 6 . HB H -0.690 5.777 5.147 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HB . . . . . . . . . c34215_6f7o 1 . 6 . 1250 . 1 1 6 . HB1 H 2.558 6.207 6.776 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HB1 . . . . . . . . . c34215_6f7o 1 . 6 . 1251 . 1 1 6 . HB1A H 1.406 5.096 6.078 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HB1A . . . . . . . . . c34215_6f7o 1 . 6 . 1252 . 1 1 6 . HB1B H 2.459 6.059 5.041 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HB1B . . . . . . . . . c34215_6f7o 1 . 6 . 1253 . 1 1 6 . HBA H -1.179 7.438 4.939 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HBA . . . . . . . . . c34215_6f7o 1 . 6 . 1254 . 1 1 6 . HD H -1.355 7.747 2.329 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HD . . . . . . . . . c34215_6f7o 1 . 6 . 1255 . 1 1 6 . HDA H -0.181 8.810 3.068 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HDA . . . . . . . . . c34215_6f7o 1 . 6 . 1256 . 1 1 6 . HE H 0.186 7.101 0.522 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HE . . . . . . . . . c34215_6f7o 1 . 6 . 1257 . 1 1 6 . HG H 1.283 6.681 3.378 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HG . . . . . . . . . c34215_6f7o 1 . 6 . 1258 . 1 1 6 . HGA H -0.142 5.760 2.966 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HGA . . . . . . . . . c34215_6f7o 1 . 6 . 1259 . 1 1 6 . HN H -0.767 6.978 7.399 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HN . . . . . . . . . c34215_6f7o 1 . 6 . 1260 . 1 1 6 . N N 0.179 7.318 7.279 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 N . . . . . . . . . c34215_6f7o 1 . 6 . 1261 . 1 1 6 . O O 2.477 8.768 5.254 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 O . . . . . . . . . c34215_6f7o 1 . 6 . 1262 . 1 1 7 ARG C C 1.875 11.506 6.334 . . . 1.0 . . . . . . . . . . . . A . 7 ARG C . . . . . . . . . c34215_6f7o 1 . 6 . 1263 . 1 1 7 ARG CA C 0.753 11.012 5.427 . . . 1.0 . . . . . . . . . . . . A . 7 ARG CA . . . . . . . . . c34215_6f7o 1 . 6 . 1264 . 1 1 7 ARG CB C -0.495 11.872 5.625 . . . 1.0 . . . . . . . . . . . . A . 7 ARG CB . . . . . . . . . c34215_6f7o 1 . 6 . 1265 . 1 1 7 ARG CD C -0.496 13.160 3.466 . . . 1.0 . . . . . . . . . . . . A . 7 ARG CD . . . . . . . . . c34215_6f7o 1 . 6 . 1266 . 1 1 7 ARG CG C -0.397 13.246 4.981 . . . 1.0 . . . . . . . . . . . . A . 7 ARG CG . . . . . . . . . c34215_6f7o 1 . 6 . 1267 . 1 1 7 ARG CZ C -1.640 15.227 2.788 . . . 1.0 . . . . . . . . . . . . A . 7 ARG CZ . . . . . . . . . c34215_6f7o 1 . 6 . 1268 . 1 1 7 ARG H H -0.458 9.362 5.964 . . . 1.0 . . . . . . . . . . . . A . 7 ARG H . . . . . . . . . c34215_6f7o 1 . 6 . 1269 . 1 1 7 ARG HA H 1.074 11.092 4.399 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HA . . . . . . . . . c34215_6f7o 1 . 6 . 1270 . 1 1 7 ARG HB2 H -1.345 11.360 5.199 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HB2 . . . . . . . . . c34215_6f7o 1 . 6 . 1271 . 1 1 7 ARG HB3 H -0.660 12.006 6.684 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HB3 . . . . . . . . . c34215_6f7o 1 . 6 . 1272 . 1 1 7 ARG HD2 H 0.409 13.559 3.037 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HD2 . . . . . . . . . c34215_6f7o 1 . 6 . 1273 . 1 1 7 ARG HD3 H -0.602 12.122 3.184 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HD3 . . . . . . . . . c34215_6f7o 1 . 6 . 1274 . 1 1 7 ARG HE H -2.443 13.404 2.710 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HE . . . . . . . . . c34215_6f7o 1 . 6 . 1275 . 1 1 7 ARG HG2 H -1.203 13.864 5.349 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HG2 . . . . . . . . . c34215_6f7o 1 . 6 . 1276 . 1 1 7 ARG HG3 H 0.552 13.690 5.246 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HG3 . . . . . . . . . c34215_6f7o 1 . 6 . 1277 . 1 1 7 ARG HH11 H -0.568 16.931 2.978 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HH11 . . . . . . . . . c34215_6f7o 1 . 6 . 1278 . 1 1 7 ARG HH12 H 0.249 15.481 3.461 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HH12 . . . . . . . . . c34215_6f7o 1 . 6 . 1279 . 1 1 7 ARG HH21 H -2.717 16.831 2.191 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HH21 . . . . . . . . . c34215_6f7o 1 . 6 . 1280 . 1 1 7 ARG HH22 H -3.529 15.305 2.073 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HH22 . . . . . . . . . c34215_6f7o 1 . 6 . 1281 . 1 1 7 ARG N N 0.450 9.611 5.692 . . . 1.0 . . . . . . . . . . . . A . 7 ARG N . . . . . . . . . c34215_6f7o 1 . 6 . 1282 . 1 1 7 ARG NE N -1.637 13.909 2.948 . . . 1.0 . . . . . . . . . . . . A . 7 ARG NE . . . . . . . . . c34215_6f7o 1 . 6 . 1283 . 1 1 7 ARG NH1 N -0.564 15.938 3.102 . . . 1.0 . . . . . . . . . . . . A . 7 ARG NH1 . . . . . . . . . c34215_6f7o 1 . 6 . 1284 . 1 1 7 ARG NH2 N -2.718 15.837 2.312 . . . 1.0 . . . . . . . . . . . . A . 7 ARG NH2 . . . . . . . . . c34215_6f7o 1 . 6 . 1285 . 1 1 7 ARG O O 2.823 12.146 5.876 . . . 1.0 . . . . . . . . . . . . A . 7 ARG O . . . . . . . . . c34215_6f7o 1 . 6 . 1286 . 1 1 8 LYS C C 4.150 11.114 8.200 . . . 1.0 . . . . . . . . . . . . A . 8 LYS C . . . . . . . . . c34215_6f7o 1 . 6 . 1287 . 1 1 8 LYS CA C 2.765 11.621 8.597 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CA . . . . . . . . . c34215_6f7o 1 . 6 . 1288 . 1 1 8 LYS CB C 2.402 11.100 9.989 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CB . . . . . . . . . c34215_6f7o 1 . 6 . 1289 . 1 1 8 LYS CD C 4.174 12.471 11.127 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CD . . . . . . . . . c34215_6f7o 1 . 6 . 1290 . 1 1 8 LYS CE C 5.427 12.432 11.984 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CE . . . . . . . . . c34215_6f7o 1 . 6 . 1291 . 1 1 8 LYS CG C 3.571 11.086 10.957 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CG . . . . . . . . . c34215_6f7o 1 . 6 . 1292 . 1 1 8 LYS H H 0.983 10.695 7.929 . . . 1.0 . . . . . . . . . . . . A . 8 LYS H . . . . . . . . . c34215_6f7o 1 . 6 . 1293 . 1 1 8 LYS HA H 2.785 12.701 8.617 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HA . . . . . . . . . c34215_6f7o 1 . 6 . 1294 . 1 1 8 LYS HB2 H 1.625 11.727 10.402 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB2 . . . . . . . . . c34215_6f7o 1 . 6 . 1295 . 1 1 8 LYS HB3 H 2.024 10.092 9.896 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB3 . . . . . . . . . c34215_6f7o 1 . 6 . 1296 . 1 1 8 LYS HD2 H 4.427 12.864 10.154 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD2 . . . . . . . . . c34215_6f7o 1 . 6 . 1297 . 1 1 8 LYS HD3 H 3.446 13.115 11.598 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD3 . . . . . . . . . c34215_6f7o 1 . 6 . 1298 . 1 1 8 LYS HE2 H 5.929 11.491 11.823 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE2 . . . . . . . . . c34215_6f7o 1 . 6 . 1299 . 1 1 8 LYS HE3 H 6.078 13.241 11.685 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE3 . . . . . . . . . c34215_6f7o 1 . 6 . 1300 . 1 1 8 LYS HG2 H 3.226 10.735 11.919 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG2 . . . . . . . . . c34215_6f7o 1 . 6 . 1301 . 1 1 8 LYS HG3 H 4.331 10.415 10.580 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG3 . . . . . . . . . c34215_6f7o 1 . 6 . 1302 . 1 1 8 LYS HZ1 H 5.891 13.062 13.920 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ1 . . . . . . . . . c34215_6f7o 1 . 6 . 1303 . 1 1 8 LYS HZ2 H 4.989 11.634 13.864 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ2 . . . . . . . . . c34215_6f7o 1 . 6 . 1304 . 1 1 8 LYS HZ3 H 4.241 13.119 13.559 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ3 . . . . . . . . . c34215_6f7o 1 . 6 . 1305 . 1 1 8 LYS N N 1.762 11.209 7.623 . . . 1.0 . . . . . . . . . . . . A . 8 LYS N . . . . . . . . . c34215_6f7o 1 . 6 . 1306 . 1 1 8 LYS NZ N 5.116 12.572 13.433 . . . 1.0 . . . . . . . . . . . . A . 8 LYS NZ . . . . . . . . . c34215_6f7o 1 . 6 . 1307 . 1 1 8 LYS O O 5.123 11.867 8.211 . . . 1.0 . . . . . . . . . . . . A . 8 LYS O . . . . . . . . . c34215_6f7o 1 . 6 . 1308 . 1 1 9 LEU C C 5.951 9.769 6.096 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . c34215_6f7o 1 . 6 . 1309 . 1 1 9 LEU CA C 5.492 9.227 7.446 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . c34215_6f7o 1 . 6 . 1310 . 1 1 9 LEU CB C 5.350 7.705 7.377 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . c34215_6f7o 1 . 6 . 1311 . 1 1 9 LEU CD1 C 5.153 5.610 8.739 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . c34215_6f7o 1 . 6 . 1312 . 1 1 9 LEU CD2 C 7.390 6.677 8.408 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . c34215_6f7o 1 . 6 . 1313 . 1 1 9 LEU CG C 5.898 6.925 8.572 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . c34215_6f7o 1 . 6 . 1314 . 1 1 9 LEU H H 3.416 9.286 7.860 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . c34215_6f7o 1 . 6 . 1315 . 1 1 9 LEU HA H 6.231 9.478 8.191 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . c34215_6f7o 1 . 6 . 1316 . 1 1 9 LEU HB2 H 4.299 7.476 7.285 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . c34215_6f7o 1 . 6 . 1317 . 1 1 9 LEU HB3 H 5.869 7.366 6.493 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . c34215_6f7o 1 . 6 . 1318 . 1 1 9 LEU HD11 H 4.096 5.775 8.588 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . c34215_6f7o 1 . 6 . 1319 . 1 1 9 LEU HD12 H 5.317 5.228 9.734 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . c34215_6f7o 1 . 6 . 1320 . 1 1 9 LEU HD13 H 5.514 4.897 8.015 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . c34215_6f7o 1 . 6 . 1321 . 1 1 9 LEU HD21 H 7.817 6.407 9.362 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . c34215_6f7o 1 . 6 . 1322 . 1 1 9 LEU HD22 H 7.867 7.576 8.043 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . c34215_6f7o 1 . 6 . 1323 . 1 1 9 LEU HD23 H 7.546 5.875 7.704 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . c34215_6f7o 1 . 6 . 1324 . 1 1 9 LEU HG H 5.751 7.508 9.472 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . c34215_6f7o 1 . 6 . 1325 . 1 1 9 LEU N N 4.228 9.836 7.848 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . c34215_6f7o 1 . 6 . 1326 . 1 1 9 LEU O O 7.154 9.861 5.863 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . c34215_6f7o 1 . 6 . 1327 . 1 1 10 . C C 5.921 12.015 4.007 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 C . . . . . . . . . c34215_6f7o 1 . 6 . 1328 . 1 1 10 . CA C 5.341 10.611 3.789 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 CA . . . . . . . . . c34215_6f7o 1 . 6 . 1329 . 1 1 10 . CB C 4.035 10.804 2.953 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 CB . . . . . . . . . c34215_6f7o 1 . 6 . 1330 . 1 1 10 . CB1 C 6.348 9.756 2.965 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 CB1 . . . . . . . . . c34215_6f7o 1 . 6 . 1331 . 1 1 10 . CD C 2.050 9.844 1.682 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 CD . . . . . . . . . c34215_6f7o 1 . 6 . 1332 . 1 1 10 . CE C 1.487 8.688 0.880 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 CE . . . . . . . . . c34215_6f7o 1 . 6 . 1333 . 1 1 10 . CG C 3.456 9.542 2.255 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 CG . . . . . . . . . c34215_6f7o 1 . 6 . 1334 . 1 1 10 . HB H 3.267 11.233 3.595 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HB . . . . . . . . . c34215_6f7o 1 . 6 . 1335 . 1 1 10 . HB1 H 6.043 8.706 2.936 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HB1 . . . . . . . . . c34215_6f7o 1 . 6 . 1336 . 1 1 10 . HB1A H 6.416 10.119 1.936 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HB1A . . . . . . . . . c34215_6f7o 1 . 6 . 1337 . 1 1 10 . HB1B H 7.355 9.800 3.384 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HB1B . . . . . . . . . c34215_6f7o 1 . 6 . 1338 . 1 1 10 . HBA H 4.226 11.545 2.174 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HBA . . . . . . . . . c34215_6f7o 1 . 6 . 1339 . 1 1 10 . HD H 1.382 10.128 2.492 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HD . . . . . . . . . c34215_6f7o 1 . 6 . 1340 . 1 1 10 . HDA H 2.121 10.713 1.023 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HDA . . . . . . . . . c34215_6f7o 1 . 6 . 1341 . 1 1 10 . HE H 1.953 8.542 -0.089 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HE . . . . . . . . . c34215_6f7o 1 . 6 . 1342 . 1 1 10 . HG H 4.111 9.249 1.428 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HG . . . . . . . . . c34215_6f7o 1 . 6 . 1343 . 1 1 10 . HGA H 3.404 8.698 2.941 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HGA . . . . . . . . . c34215_6f7o 1 . 6 . 1344 . 1 1 10 . HN H 4.077 9.809 5.319 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HN . . . . . . . . . c34215_6f7o 1 . 6 . 1345 . 1 1 10 . N N 5.045 9.986 5.112 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 N . . . . . . . . . c34215_6f7o 1 . 6 . 1346 . 1 1 10 . O O 6.779 12.501 3.305 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 O . . . . . . . . . c34215_6f7o 1 . 6 . 1347 . 1 1 11 GLN C C 7.165 13.931 6.156 . . . 1.0 . . . . . . . . . . . . A . 11 GLN C . . . . . . . . . c34215_6f7o 1 . 6 . 1348 . 1 1 11 GLN CA C 5.810 14.034 5.464 . . . 1.0 . . . . . . . . . . . . A . 11 GLN CA . . . . . . . . . c34215_6f7o 1 . 6 . 1349 . 1 1 11 GLN CB C 4.785 14.655 6.412 . . . 1.0 . . . . . . . . . . . . A . 11 GLN CB . . . . . . . . . c34215_6f7o 1 . 6 . 1350 . 1 1 11 GLN CD C 5.387 16.887 7.434 . . . 1.0 . . . . . . . . . . . . A . 11 GLN CD . . . . . . . . . c34215_6f7o 1 . 6 . 1351 . 1 1 11 GLN CG C 4.687 16.169 6.297 . . . 1.0 . . . . . . . . . . . . A . 11 GLN CG . . . . . . . . . c34215_6f7o 1 . 6 . 1352 . 1 1 11 GLN H H 4.510 12.369 5.353 . . . 1.0 . . . . . . . . . . . . A . 11 GLN H . . . . . . . . . c34215_6f7o 1 . 6 . 1353 . 1 1 11 GLN HA H 5.914 14.667 4.595 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HA . . . . . . . . . c34215_6f7o 1 . 6 . 1354 . 1 1 11 GLN HB2 H 3.814 14.234 6.198 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HB2 . . . . . . . . . c34215_6f7o 1 . 6 . 1355 . 1 1 11 GLN HB3 H 5.058 14.410 7.429 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HB3 . . . . . . . . . c34215_6f7o 1 . 6 . 1356 . 1 1 11 GLN HE21 H 3.636 17.392 8.226 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HE21 . . . . . . . . . c34215_6f7o 1 . 6 . 1357 . 1 1 11 GLN HE22 H 5.034 17.934 9.085 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HE22 . . . . . . . . . c34215_6f7o 1 . 6 . 1358 . 1 1 11 GLN HG2 H 5.137 16.476 5.365 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HG2 . . . . . . . . . c34215_6f7o 1 . 6 . 1359 . 1 1 11 GLN HG3 H 3.643 16.448 6.301 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HG3 . . . . . . . . . c34215_6f7o 1 . 6 . 1360 . 1 1 11 GLN N N 5.355 12.726 5.013 . . . 1.0 . . . . . . . . . . . . A . 11 GLN N . . . . . . . . . c34215_6f7o 1 . 6 . 1361 . 1 1 11 GLN NE2 N 4.608 17.463 8.340 . . . 1.0 . . . . . . . . . . . . A . 11 GLN NE2 . . . . . . . . . c34215_6f7o 1 . 6 . 1362 . 1 1 11 GLN O O 7.908 14.909 6.235 . . . 1.0 . . . . . . . . . . . . A . 11 GLN O . . . . . . . . . c34215_6f7o 1 . 6 . 1363 . 1 1 11 GLN OE1 O 6.617 16.923 7.495 . . . 1.0 . . . . . . . . . . . . A . 11 GLN OE1 . . . . . . . . . c34215_6f7o 1 . 6 . 1364 . 1 1 12 ALA C C 9.869 12.255 6.347 . . . 1.0 . . . . . . . . . . . . A . 12 ALA C . . . . . . . . . c34215_6f7o 1 . 6 . 1365 . 1 1 12 ALA CA C 8.744 12.510 7.344 . . . 1.0 . . . . . . . . . . . . A . 12 ALA CA . . . . . . . . . c34215_6f7o 1 . 6 . 1366 . 1 1 12 ALA CB C 8.615 11.340 8.308 . . . 1.0 . . . . . . . . . . . . A . 12 ALA CB . . . . . . . . . c34215_6f7o 1 . 6 . 1367 . 1 1 12 ALA H H 6.844 12.000 6.565 . . . 1.0 . . . . . . . . . . . . A . 12 ALA H . . . . . . . . . c34215_6f7o 1 . 6 . 1368 . 1 1 12 ALA HA H 8.978 13.394 7.920 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HA . . . . . . . . . c34215_6f7o 1 . 6 . 1369 . 1 1 12 ALA HB1 H 9.573 11.150 8.772 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB1 . . . . . . . . . c34215_6f7o 1 . 6 . 1370 . 1 1 12 ALA HB2 H 7.888 11.578 9.069 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB2 . . . . . . . . . c34215_6f7o 1 . 6 . 1371 . 1 1 12 ALA HB3 H 8.296 10.461 7.768 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB3 . . . . . . . . . c34215_6f7o 1 . 6 . 1372 . 1 1 12 ALA N N 7.479 12.742 6.659 . . . 1.0 . . . . . . . . . . . . A . 12 ALA N . . . . . . . . . c34215_6f7o 1 . 6 . 1373 . 1 1 12 ALA O O 10.846 13.002 6.298 . . . 1.0 . . . . . . . . . . . . A . 12 ALA O . . . . . . . . . c34215_6f7o 1 . 6 . 1374 . 1 1 13 ALA C C 10.620 11.739 3.330 . . . 1.0 . . . . . . . . . . . . A . 13 ALA C . . . . . . . . . c34215_6f7o 1 . 6 . 1375 . 1 1 13 ALA CA C 10.732 10.846 4.562 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CA . . . . . . . . . c34215_6f7o 1 . 6 . 1376 . 1 1 13 ALA CB C 10.598 9.381 4.169 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CB . . . . . . . . . c34215_6f7o 1 . 6 . 1377 . 1 1 13 ALA H H 8.925 10.640 5.646 . . . 1.0 . . . . . . . . . . . . A . 13 ALA H . . . . . . . . . c34215_6f7o 1 . 6 . 1378 . 1 1 13 ALA HA H 11.706 10.985 5.008 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HA . . . . . . . . . c34215_6f7o 1 . 6 . 1379 . 1 1 13 ALA HB1 H 11.122 8.769 4.886 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB1 . . . . . . . . . c34215_6f7o 1 . 6 . 1380 . 1 1 13 ALA HB2 H 9.553 9.107 4.157 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB2 . . . . . . . . . c34215_6f7o 1 . 6 . 1381 . 1 1 13 ALA HB3 H 11.019 9.232 3.186 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB3 . . . . . . . . . c34215_6f7o 1 . 6 . 1382 . 1 1 13 ALA N N 9.726 11.197 5.557 . . . 1.0 . . . . . . . . . . . . A . 13 ALA N . . . . . . . . . c34215_6f7o 1 . 6 . 1383 . 1 1 13 ALA O O 9.688 12.534 3.212 . . . 1.0 . . . . . . . . . . . . A . 13 ALA O . . . . . . . . . c34215_6f7o 1 . 6 . 1384 . 1 1 14 ARG C C 10.491 11.935 0.238 . . . 1.0 . . . . . . . . . . . . A . 14 ARG C . . . . . . . . . c34215_6f7o 1 . 6 . 1385 . 1 1 14 ARG CA C 11.586 12.397 1.196 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CA . . . . . . . . . c34215_6f7o 1 . 6 . 1386 . 1 1 14 ARG CB C 12.950 12.305 0.513 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CB . . . . . . . . . c34215_6f7o 1 . 6 . 1387 . 1 1 14 ARG CD C 14.815 12.223 2.197 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CD . . . . . . . . . c34215_6f7o 1 . 6 . 1388 . 1 1 14 ARG CG C 14.042 13.095 1.221 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CG . . . . . . . . . c34215_6f7o 1 . 6 . 1389 . 1 1 14 ARG CZ C 17.146 11.829 2.873 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CZ . . . . . . . . . c34215_6f7o 1 . 6 . 1390 . 1 1 14 ARG H H 12.292 10.951 2.569 . . . 1.0 . . . . . . . . . . . . A . 14 ARG H . . . . . . . . . c34215_6f7o 1 . 6 . 1391 . 1 1 14 ARG HA H 11.397 13.426 1.468 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HA . . . . . . . . . c34215_6f7o 1 . 6 . 1392 . 1 1 14 ARG HB2 H 13.253 11.268 0.477 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB2 . . . . . . . . . c34215_6f7o 1 . 6 . 1393 . 1 1 14 ARG HB3 H 12.862 12.681 -0.496 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB3 . . . . . . . . . c34215_6f7o 1 . 6 . 1394 . 1 1 14 ARG HD2 H 14.492 12.454 3.199 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD2 . . . . . . . . . c34215_6f7o 1 . 6 . 1395 . 1 1 14 ARG HD3 H 14.602 11.187 1.979 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD3 . . . . . . . . . c34215_6f7o 1 . 6 . 1396 . 1 1 14 ARG HE H 16.574 13.076 1.425 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HE . . . . . . . . . c34215_6f7o 1 . 6 . 1397 . 1 1 14 ARG HG2 H 14.726 13.486 0.483 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG2 . . . . . . . . . c34215_6f7o 1 . 6 . 1398 . 1 1 14 ARG HG3 H 13.585 13.912 1.761 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG3 . . . . . . . . . c34215_6f7o 1 . 6 . 1399 . 1 1 14 ARG HH11 H 17.416 10.501 4.375 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH11 . . . . . . . . . c34215_6f7o 1 . 6 . 1400 . 1 1 14 ARG HH12 H 15.768 10.773 3.907 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH12 . . . . . . . . . c34215_6f7o 1 . 6 . 1401 . 1 1 14 ARG HH21 H 19.107 11.619 3.308 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH21 . . . . . . . . . c34215_6f7o 1 . 6 . 1402 . 1 1 14 ARG HH22 H 18.747 12.731 2.032 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH22 . . . . . . . . . c34215_6f7o 1 . 6 . 1403 . 1 1 14 ARG N N 11.576 11.602 2.418 . . . 1.0 . . . . . . . . . . . . A . 14 ARG N . . . . . . . . . c34215_6f7o 1 . 6 . 1404 . 1 1 14 ARG NE N 16.256 12.442 2.100 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NE . . . . . . . . . c34215_6f7o 1 . 6 . 1405 . 1 1 14 ARG NH1 N 16.744 10.963 3.795 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH1 . . . . . . . . . c34215_6f7o 1 . 6 . 1406 . 1 1 14 ARG NH2 N 18.439 12.080 2.725 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH2 . . . . . . . . . c34215_6f7o 1 . 6 . 1407 . 1 1 14 ARG O O 9.689 12.755 -0.203 . . . 1.0 . . . . . . . . . . . . A . 14 ARG O . . . . . . . . . c34215_6f7o 1 . 6 . 1408 . 1 1 15 NH2 HN1 H 11.171 10.035 0.335 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 HN1 . . . . . . . . . c34215_6f7o 1 . 6 . 1409 . 1 1 15 NH2 HN2 H 9.793 10.279 -0.686 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 HN2 . . . . . . . . . c34215_6f7o 1 . 6 . 1410 . 1 1 15 NH2 N N 10.487 10.644 -0.063 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 N . . . . . . . . . c34215_6f7o 1 . 7 . 1411 . 1 1 1 ACE C C -4.268 2.268 9.073 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . c34215_6f7o 1 . 7 . 1412 . 1 1 1 ACE CH3 C -3.128 1.448 9.566 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . c34215_6f7o 1 . 7 . 1413 . 1 1 1 ACE H1 H -3.502 0.661 10.222 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . c34215_6f7o 1 . 7 . 1414 . 1 1 1 ACE H2 H -2.610 0.998 8.719 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . c34215_6f7o 1 . 7 . 1415 . 1 1 1 ACE H3 H -2.434 2.083 10.117 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . c34215_6f7o 1 . 7 . 1416 . 1 1 1 ACE O O -5.024 1.869 8.187 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . c34215_6f7o 1 . 7 . 1417 . 1 1 2 ASP C C -4.944 5.473 8.369 . . . 1.0 . . . . . . . . . . . . A . 2 ASP C . . . . . . . . . c34215_6f7o 1 . 7 . 1418 . 1 1 2 ASP CA C -5.471 4.374 9.286 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CA . . . . . . . . . c34215_6f7o 1 . 7 . 1419 . 1 1 2 ASP CB C -6.098 4.994 10.536 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CB . . . . . . . . . c34215_6f7o 1 . 7 . 1420 . 1 1 2 ASP CG C -7.267 4.183 11.059 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CG . . . . . . . . . c34215_6f7o 1 . 7 . 1421 . 1 1 2 ASP H H -3.769 3.714 10.359 . . . 1.0 . . . . . . . . . . . . A . 2 ASP H . . . . . . . . . c34215_6f7o 1 . 7 . 1422 . 1 1 2 ASP HA H -6.225 3.811 8.759 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HA . . . . . . . . . c34215_6f7o 1 . 7 . 1423 . 1 1 2 ASP HB2 H -5.349 5.055 11.315 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HB2 . . . . . . . . . c34215_6f7o 1 . 7 . 1424 . 1 1 2 ASP HB3 H -6.448 5.987 10.302 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HB3 . . . . . . . . . c34215_6f7o 1 . 7 . 1425 . 1 1 2 ASP N N -4.403 3.453 9.659 . . . 1.0 . . . . . . . . . . . . A . 2 ASP N . . . . . . . . . c34215_6f7o 1 . 7 . 1426 . 1 1 2 ASP O O -3.743 5.737 8.299 . . . 1.0 . . . . . . . . . . . . A . 2 ASP O . . . . . . . . . c34215_6f7o 1 . 7 . 1427 . 1 1 2 ASP OD1 O -7.262 2.946 10.879 . . . 1.0 . . . . . . . . . . . . A . 2 ASP OD1 . . . . . . . . . c34215_6f7o 1 . 7 . 1428 . 1 1 2 ASP OD2 O -8.188 4.785 11.649 . . . 1.0 . . . . . . . . . . . . A . 2 ASP OD2 . . . . . . . . . c34215_6f7o 1 . 7 . 1429 . 1 1 3 PRO C C -5.048 8.467 7.439 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . c34215_6f7o 1 . 7 . 1430 . 1 1 3 PRO CA C -5.515 7.208 6.714 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . c34215_6f7o 1 . 7 . 1431 . 1 1 3 PRO CB C -6.828 7.476 5.974 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . c34215_6f7o 1 . 7 . 1432 . 1 1 3 PRO CD C -7.312 5.864 7.674 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . c34215_6f7o 1 . 7 . 1433 . 1 1 3 PRO CG C -7.891 7.026 6.914 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . c34215_6f7o 1 . 7 . 1434 . 1 1 3 PRO HA H -4.758 6.897 6.010 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . c34215_6f7o 1 . 7 . 1435 . 1 1 3 PRO HB2 H -6.912 8.531 5.756 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . c34215_6f7o 1 . 7 . 1436 . 1 1 3 PRO HB3 H -6.849 6.907 5.057 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . c34215_6f7o 1 . 7 . 1437 . 1 1 3 PRO HD2 H -7.681 5.855 8.689 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . c34215_6f7o 1 . 7 . 1438 . 1 1 3 PRO HD3 H -7.545 4.935 7.176 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . c34215_6f7o 1 . 7 . 1439 . 1 1 3 PRO HG2 H -8.145 7.828 7.593 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . c34215_6f7o 1 . 7 . 1440 . 1 1 3 PRO HG3 H -8.764 6.713 6.359 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . c34215_6f7o 1 . 7 . 1441 . 1 1 3 PRO N N -5.864 6.128 7.643 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . c34215_6f7o 1 . 7 . 1442 . 1 1 3 PRO O O -5.812 9.415 7.610 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . c34215_6f7o 1 . 7 . 1443 . 1 1 4 GLN C C -1.719 9.426 8.778 . . . 1.0 . . . . . . . . . . . . A . 4 GLN C . . . . . . . . . c34215_6f7o 1 . 7 . 1444 . 1 1 4 GLN CA C -3.218 9.610 8.567 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CA . . . . . . . . . c34215_6f7o 1 . 7 . 1445 . 1 1 4 GLN CB C -3.916 9.802 9.915 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CB . . . . . . . . . c34215_6f7o 1 . 7 . 1446 . 1 1 4 GLN CD C -4.605 12.217 10.178 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CD . . . . . . . . . c34215_6f7o 1 . 7 . 1447 . 1 1 4 GLN CG C -3.614 11.140 10.570 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CG . . . . . . . . . c34215_6f7o 1 . 7 . 1448 . 1 1 4 GLN H H -3.227 7.678 7.694 . . . 1.0 . . . . . . . . . . . . A . 4 GLN H . . . . . . . . . c34215_6f7o 1 . 7 . 1449 . 1 1 4 GLN HA H -3.379 10.487 7.959 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HA . . . . . . . . . c34215_6f7o 1 . 7 . 1450 . 1 1 4 GLN HB2 H -4.983 9.729 9.767 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HB2 . . . . . . . . . c34215_6f7o 1 . 7 . 1451 . 1 1 4 GLN HB3 H -3.600 9.017 10.587 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HB3 . . . . . . . . . c34215_6f7o 1 . 7 . 1452 . 1 1 4 GLN HE21 H -3.185 13.604 10.305 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HE21 . . . . . . . . . c34215_6f7o 1 . 7 . 1453 . 1 1 4 GLN HE22 H -4.751 14.173 9.853 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HE22 . . . . . . . . . c34215_6f7o 1 . 7 . 1454 . 1 1 4 GLN HG2 H -3.645 11.016 11.643 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HG2 . . . . . . . . . c34215_6f7o 1 . 7 . 1455 . 1 1 4 GLN HG3 H -2.626 11.455 10.273 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HG3 . . . . . . . . . c34215_6f7o 1 . 7 . 1456 . 1 1 4 GLN N N -3.787 8.465 7.862 . . . 1.0 . . . . . . . . . . . . A . 4 GLN N . . . . . . . . . c34215_6f7o 1 . 7 . 1457 . 1 1 4 GLN NE2 N -4.134 13.457 10.106 . . . 1.0 . . . . . . . . . . . . A . 4 GLN NE2 . . . . . . . . . c34215_6f7o 1 . 7 . 1458 . 1 1 4 GLN O O -0.919 10.286 8.409 . . . 1.0 . . . . . . . . . . . . A . 4 GLN O . . . . . . . . . c34215_6f7o 1 . 7 . 1459 . 1 1 4 GLN OE1 O -5.781 11.940 9.946 . . . 1.0 . . . . . . . . . . . . A . 4 GLN OE1 . . . . . . . . . c34215_6f7o 1 . 7 . 1460 . 1 1 5 HIS C C 0.832 7.830 8.333 . . . 1.0 . . . . . . . . . . . . A . 5 HIS C . . . . . . . . . c34215_6f7o 1 . 7 . 1461 . 1 1 5 HIS CA C 0.061 8.003 9.638 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CA . . . . . . . . . c34215_6f7o 1 . 7 . 1462 . 1 1 5 HIS CB C 0.186 6.740 10.490 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CB . . . . . . . . . c34215_6f7o 1 . 7 . 1463 . 1 1 5 HIS CD2 C 1.262 7.116 12.820 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CD2 . . . . . . . . . c34215_6f7o 1 . 7 . 1464 . 1 1 5 HIS CE1 C 3.345 6.681 12.287 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CE1 . . . . . . . . . c34215_6f7o 1 . 7 . 1465 . 1 1 5 HIS CG C 1.290 6.808 11.503 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CG . . . . . . . . . c34215_6f7o 1 . 7 . 1466 . 1 1 5 HIS H H -2.027 7.652 9.649 . . . 1.0 . . . . . . . . . . . . A . 5 HIS H . . . . . . . . . c34215_6f7o 1 . 7 . 1467 . 1 1 5 HIS HA H 0.479 8.836 10.182 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HA . . . . . . . . . c34215_6f7o 1 . 7 . 1468 . 1 1 5 HIS HB2 H -0.739 6.576 11.020 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB2 . . . . . . . . . c34215_6f7o 1 . 7 . 1469 . 1 1 5 HIS HB3 H 0.381 5.896 9.844 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB3 . . . . . . . . . c34215_6f7o 1 . 7 . 1470 . 1 1 5 HIS HD1 H 2.952 6.287 10.318 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD1 . . . . . . . . . c34215_6f7o 1 . 7 . 1471 . 1 1 5 HIS HD2 H 0.390 7.379 13.402 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD2 . . . . . . . . . c34215_6f7o 1 . 7 . 1472 . 1 1 5 HIS HE1 H 4.414 6.537 12.349 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HE1 . . . . . . . . . c34215_6f7o 1 . 7 . 1473 . 1 1 5 HIS N N -1.344 8.299 9.377 . . . 1.0 . . . . . . . . . . . . A . 5 HIS N . . . . . . . . . c34215_6f7o 1 . 7 . 1474 . 1 1 5 HIS ND1 N 2.608 6.544 11.198 . . . 1.0 . . . . . . . . . . . . A . 5 HIS ND1 . . . . . . . . . c34215_6f7o 1 . 7 . 1475 . 1 1 5 HIS NE2 N 2.552 7.030 13.285 . . . 1.0 . . . . . . . . . . . . A . 5 HIS NE2 . . . . . . . . . c34215_6f7o 1 . 7 . 1476 . 1 1 5 HIS O O 2.046 8.025 8.323 . . . 1.0 . . . . . . . . . . . . A . 5 HIS O . . . . . . . . . c34215_6f7o 1 . 7 . 1477 . 1 1 6 . C C 1.329 8.553 5.525 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 C . . . . . . . . . c34215_6f7o 1 . 7 . 1478 . 1 1 6 . CA C 0.753 7.185 5.913 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 CA . . . . . . . . . c34215_6f7o 1 . 7 . 1479 . 1 1 6 . CB C -0.358 6.787 4.890 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 CB . . . . . . . . . c34215_6f7o 1 . 7 . 1480 . 1 1 6 . CB1 C 1.838 6.063 5.931 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 CB1 . . . . . . . . . c34215_6f7o 1 . 7 . 1481 . 1 1 6 . CD C -0.278 7.904 2.540 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 CD . . . . . . . . . c34215_6f7o 1 . 7 . 1482 . 1 1 6 . CE C 0.504 7.895 1.240 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 CE . . . . . . . . . c34215_6f7o 1 . 7 . 1483 . 1 1 6 . CG C 0.132 6.699 3.414 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 CG . . . . . . . . . c34215_6f7o 1 . 7 . 1484 . 1 1 6 . HB H -0.749 5.805 5.178 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HB . . . . . . . . . c34215_6f7o 1 . 7 . 1485 . 1 1 6 . HB1 H 2.427 6.037 5.013 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HB1 . . . . . . . . . c34215_6f7o 1 . 7 . 1486 . 1 1 6 . HB1A H 2.545 6.198 6.747 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HB1A . . . . . . . . . c34215_6f7o 1 . 7 . 1487 . 1 1 6 . HB1B H 1.380 5.082 6.068 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HB1B . . . . . . . . . c34215_6f7o 1 . 7 . 1488 . 1 1 6 . HBA H -1.208 7.472 4.961 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HBA . . . . . . . . . c34215_6f7o 1 . 7 . 1489 . 1 1 6 . HD H -1.345 7.839 2.318 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HD . . . . . . . . . c34215_6f7o 1 . 7 . 1490 . 1 1 6 . HDA H -0.128 8.832 3.084 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HDA . . . . . . . . . c34215_6f7o 1 . 7 . 1491 . 1 1 6 . HE H 0.214 7.118 0.537 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HE . . . . . . . . . c34215_6f7o 1 . 7 . 1492 . 1 1 6 . HG H 1.217 6.607 3.366 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HG . . . . . . . . . c34215_6f7o 1 . 7 . 1493 . 1 1 6 . HGA H -0.269 5.788 2.960 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HGA . . . . . . . . . c34215_6f7o 1 . 7 . 1494 . 1 1 6 . HN H -0.792 7.041 7.388 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HN . . . . . . . . . c34215_6f7o 1 . 7 . 1495 . 1 1 6 . N N 0.172 7.312 7.266 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 N . . . . . . . . . c34215_6f7o 1 . 7 . 1496 . 1 1 6 . O O 2.498 8.737 5.281 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 O . . . . . . . . . c34215_6f7o 1 . 7 . 1497 . 1 1 7 ARG C C 1.880 11.491 6.321 . . . 1.0 . . . . . . . . . . . . A . 7 ARG C . . . . . . . . . c34215_6f7o 1 . 7 . 1498 . 1 1 7 ARG CA C 0.767 10.991 5.406 . . . 1.0 . . . . . . . . . . . . A . 7 ARG CA . . . . . . . . . c34215_6f7o 1 . 7 . 1499 . 1 1 7 ARG CB C -0.486 11.848 5.593 . . . 1.0 . . . . . . . . . . . . A . 7 ARG CB . . . . . . . . . c34215_6f7o 1 . 7 . 1500 . 1 1 7 ARG CD C -0.176 14.308 6.002 . . . 1.0 . . . . . . . . . . . . A . 7 ARG CD . . . . . . . . . c34215_6f7o 1 . 7 . 1501 . 1 1 7 ARG CG C -0.384 13.222 4.956 . . . 1.0 . . . . . . . . . . . . A . 7 ARG CG . . . . . . . . . c34215_6f7o 1 . 7 . 1502 . 1 1 7 ARG CZ C 0.155 16.285 4.580 . . . 1.0 . . . . . . . . . . . . A . 7 ARG CZ . . . . . . . . . c34215_6f7o 1 . 7 . 1503 . 1 1 7 ARG H H -0.443 9.336 5.932 . . . 1.0 . . . . . . . . . . . . A . 7 ARG H . . . . . . . . . c34215_6f7o 1 . 7 . 1504 . 1 1 7 ARG HA H 1.097 11.070 4.380 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HA . . . . . . . . . c34215_6f7o 1 . 7 . 1505 . 1 1 7 ARG HB2 H -1.328 11.333 5.154 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HB2 . . . . . . . . . c34215_6f7o 1 . 7 . 1506 . 1 1 7 ARG HB3 H -0.665 11.975 6.650 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HB3 . . . . . . . . . c34215_6f7o 1 . 7 . 1507 . 1 1 7 ARG HD2 H -1.142 14.673 6.317 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HD2 . . . . . . . . . c34215_6f7o 1 . 7 . 1508 . 1 1 7 ARG HD3 H 0.341 13.879 6.847 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HD3 . . . . . . . . . c34215_6f7o 1 . 7 . 1509 . 1 1 7 ARG HE H 1.519 15.537 5.825 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HE . . . . . . . . . c34215_6f7o 1 . 7 . 1510 . 1 1 7 ARG HG2 H 0.453 13.232 4.273 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HG2 . . . . . . . . . c34215_6f7o 1 . 7 . 1511 . 1 1 7 ARG HG3 H -1.296 13.427 4.414 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HG3 . . . . . . . . . c34215_6f7o 1 . 7 . 1512 . 1 1 7 ARG HH11 H -1.413 16.808 3.418 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HH11 . . . . . . . . . c34215_6f7o 1 . 7 . 1513 . 1 1 7 ARG HH12 H -1.660 15.413 4.414 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HH12 . . . . . . . . . c34215_6f7o 1 . 7 . 1514 . 1 1 7 ARG HH21 H 0.586 17.923 3.475 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HH21 . . . . . . . . . c34215_6f7o 1 . 7 . 1515 . 1 1 7 ARG HH22 H 1.857 17.375 4.517 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HH22 . . . . . . . . . c34215_6f7o 1 . 7 . 1516 . 1 1 7 ARG N N 0.465 9.589 5.671 . . . 1.0 . . . . . . . . . . . . A . 7 ARG N . . . . . . . . . c34215_6f7o 1 . 7 . 1517 . 1 1 7 ARG NE N 0.610 15.424 5.484 . . . 1.0 . . . . . . . . . . . . A . 7 ARG NE . . . . . . . . . c34215_6f7o 1 . 7 . 1518 . 1 1 7 ARG NH1 N -1.073 16.157 4.096 . . . 1.0 . . . . . . . . . . . . A . 7 ARG NH1 . . . . . . . . . c34215_6f7o 1 . 7 . 1519 . 1 1 7 ARG NH2 N 0.930 17.276 4.157 . . . 1.0 . . . . . . . . . . . . A . 7 ARG NH2 . . . . . . . . . c34215_6f7o 1 . 7 . 1520 . 1 1 7 ARG O O 2.831 12.130 5.869 . . . 1.0 . . . . . . . . . . . . A . 7 ARG O . . . . . . . . . c34215_6f7o 1 . 7 . 1521 . 1 1 8 LYS C C 4.137 11.113 8.208 . . . 1.0 . . . . . . . . . . . . A . 8 LYS C . . . . . . . . . c34215_6f7o 1 . 7 . 1522 . 1 1 8 LYS CA C 2.748 11.616 8.592 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CA . . . . . . . . . c34215_6f7o 1 . 7 . 1523 . 1 1 8 LYS CB C 2.375 11.097 9.984 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CB . . . . . . . . . c34215_6f7o 1 . 7 . 1524 . 1 1 8 LYS CD C 4.188 12.446 11.078 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CD . . . . . . . . . c34215_6f7o 1 . 7 . 1525 . 1 1 8 LYS CE C 4.347 12.863 12.533 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CE . . . . . . . . . c34215_6f7o 1 . 7 . 1526 . 1 1 8 LYS CG C 3.538 11.078 10.958 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CG . . . . . . . . . c34215_6f7o 1 . 7 . 1527 . 1 1 8 LYS H H 0.974 10.684 7.912 . . . 1.0 . . . . . . . . . . . . A . 8 LYS H . . . . . . . . . c34215_6f7o 1 . 7 . 1528 . 1 1 8 LYS HA H 2.762 12.695 8.611 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HA . . . . . . . . . c34215_6f7o 1 . 7 . 1529 . 1 1 8 LYS HB2 H 1.599 11.727 10.391 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB2 . . . . . . . . . c34215_6f7o 1 . 7 . 1530 . 1 1 8 LYS HB3 H 1.997 10.090 9.888 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB3 . . . . . . . . . c34215_6f7o 1 . 7 . 1531 . 1 1 8 LYS HD2 H 5.163 12.416 10.616 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD2 . . . . . . . . . c34215_6f7o 1 . 7 . 1532 . 1 1 8 LYS HD3 H 3.570 13.175 10.569 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD3 . . . . . . . . . c34215_6f7o 1 . 7 . 1533 . 1 1 8 LYS HE2 H 4.878 13.803 12.568 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE2 . . . . . . . . . c34215_6f7o 1 . 7 . 1534 . 1 1 8 LYS HE3 H 3.366 12.988 12.967 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE3 . . . . . . . . . c34215_6f7o 1 . 7 . 1535 . 1 1 8 LYS HG2 H 3.177 10.778 11.931 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG2 . . . . . . . . . c34215_6f7o 1 . 7 . 1536 . 1 1 8 LYS HG3 H 4.276 10.368 10.611 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG3 . . . . . . . . . c34215_6f7o 1 . 7 . 1537 . 1 1 8 LYS HZ1 H 5.372 12.245 14.244 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ1 . . . . . . . . . c34215_6f7o 1 . 7 . 1538 . 1 1 8 LYS HZ2 H 5.961 11.567 12.809 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ2 . . . . . . . . . c34215_6f7o 1 . 7 . 1539 . 1 1 8 LYS HZ3 H 4.512 11.008 13.476 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ3 . . . . . . . . . c34215_6f7o 1 . 7 . 1540 . 1 1 8 LYS N N 1.755 11.198 7.611 . . . 1.0 . . . . . . . . . . . . A . 8 LYS N . . . . . . . . . c34215_6f7o 1 . 7 . 1541 . 1 1 8 LYS NZ N 5.100 11.849 13.320 . . . 1.0 . . . . . . . . . . . . A . 8 LYS NZ . . . . . . . . . c34215_6f7o 1 . 7 . 1542 . 1 1 8 LYS O O 5.111 11.869 8.234 . . . 1.0 . . . . . . . . . . . . A . 8 LYS O . . . . . . . . . c34215_6f7o 1 . 7 . 1543 . 1 1 9 LEU C C 5.960 9.777 6.115 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . c34215_6f7o 1 . 7 . 1544 . 1 1 9 LEU CA C 5.492 9.234 7.461 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . c34215_6f7o 1 . 7 . 1545 . 1 1 9 LEU CB C 5.357 7.712 7.391 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . c34215_6f7o 1 . 7 . 1546 . 1 1 9 LEU CD1 C 5.194 5.602 8.734 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . c34215_6f7o 1 . 7 . 1547 . 1 1 9 LEU CD2 C 7.412 6.717 8.421 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . c34215_6f7o 1 . 7 . 1548 . 1 1 9 LEU CG C 5.916 6.933 8.581 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . c34215_6f7o 1 . 7 . 1549 . 1 1 9 LEU H H 3.412 9.286 7.852 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . c34215_6f7o 1 . 7 . 1550 . 1 1 9 LEU HA H 6.223 9.488 8.212 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . c34215_6f7o 1 . 7 . 1551 . 1 1 9 LEU HB2 H 4.306 7.478 7.305 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . c34215_6f7o 1 . 7 . 1552 . 1 1 9 LEU HB3 H 5.872 7.377 6.503 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . c34215_6f7o 1 . 7 . 1553 . 1 1 9 LEU HD11 H 4.909 5.464 9.766 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . c34215_6f7o 1 . 7 . 1554 . 1 1 9 LEU HD12 H 5.851 4.801 8.432 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . c34215_6f7o 1 . 7 . 1555 . 1 1 9 LEU HD13 H 4.311 5.599 8.113 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . c34215_6f7o 1 . 7 . 1556 . 1 1 9 LEU HD21 H 7.585 5.890 7.746 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . c34215_6f7o 1 . 7 . 1557 . 1 1 9 LEU HD22 H 7.848 6.488 9.382 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . c34215_6f7o 1 . 7 . 1558 . 1 1 9 LEU HD23 H 7.866 7.610 8.020 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . c34215_6f7o 1 . 7 . 1559 . 1 1 9 LEU HG H 5.755 7.505 9.486 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . c34215_6f7o 1 . 7 . 1560 . 1 1 9 LEU N N 4.222 9.838 7.852 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . c34215_6f7o 1 . 7 . 1561 . 1 1 9 LEU O O 7.167 9.872 5.891 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . c34215_6f7o 1 . 7 . 1562 . 1 1 10 . C C 5.965 11.998 4.052 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 C . . . . . . . . . c34215_6f7o 1 . 7 . 1563 . 1 1 10 . CA C 5.346 10.611 3.809 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 CA . . . . . . . . . c34215_6f7o 1 . 7 . 1564 . 1 1 10 . CB C 4.043 10.831 2.967 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 CB . . . . . . . . . c34215_6f7o 1 . 7 . 1565 . 1 1 10 . CB1 C 6.310 9.720 2.980 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 CB1 . . . . . . . . . c34215_6f7o 1 . 7 . 1566 . 1 1 10 . CD C 2.057 9.883 1.667 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 CD . . . . . . . . . c34215_6f7o 1 . 7 . 1567 . 1 1 10 . CE C 1.499 8.717 0.881 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 CE . . . . . . . . . c34215_6f7o 1 . 7 . 1568 . 1 1 10 . CG C 3.452 9.578 2.261 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 CG . . . . . . . . . c34215_6f7o 1 . 7 . 1569 . 1 1 10 . HB H 3.278 11.275 3.598 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HB . . . . . . . . . c34215_6f7o 1 . 7 . 1570 . 1 1 10 . HB1 H 6.448 10.126 1.974 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HB1 . . . . . . . . . c34215_6f7o 1 . 7 . 1571 . 1 1 10 . HB1A H 7.289 9.654 3.442 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HB1A . . . . . . . . . c34215_6f7o 1 . 7 . 1572 . 1 1 10 . HB1B H 5.933 8.699 2.892 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HB1B . . . . . . . . . c34215_6f7o 1 . 7 . 1573 . 1 1 10 . HBA H 4.256 11.568 2.187 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HBA . . . . . . . . . c34215_6f7o 1 . 7 . 1574 . 1 1 10 . HD H 1.379 10.184 2.462 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HD . . . . . . . . . c34215_6f7o 1 . 7 . 1575 . 1 1 10 . HDA H 2.142 10.745 0.999 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HDA . . . . . . . . . c34215_6f7o 1 . 7 . 1576 . 1 1 10 . HE H 1.958 8.569 -0.093 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HE . . . . . . . . . c34215_6f7o 1 . 7 . 1577 . 1 1 10 . HG H 4.108 9.270 1.445 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HG . . . . . . . . . c34215_6f7o 1 . 7 . 1578 . 1 1 10 . HGA H 3.379 8.736 2.950 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HGA . . . . . . . . . c34215_6f7o 1 . 7 . 1579 . 1 1 10 . HN H 4.085 9.799 5.334 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HN . . . . . . . . . c34215_6f7o 1 . 7 . 1580 . 1 1 10 . N N 5.051 9.988 5.129 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 N . . . . . . . . . c34215_6f7o 1 . 7 . 1581 . 1 1 10 . O O 6.930 12.426 3.449 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 O . . . . . . . . . c34215_6f7o 1 . 7 . 1582 . 1 1 11 GLN C C 7.175 13.947 6.159 . . . 1.0 . . . . . . . . . . . . A . 11 GLN C . . . . . . . . . c34215_6f7o 1 . 7 . 1583 . 1 1 11 GLN CA C 5.814 14.042 5.479 . . . 1.0 . . . . . . . . . . . . A . 11 GLN CA . . . . . . . . . c34215_6f7o 1 . 7 . 1584 . 1 1 11 GLN CB C 4.790 14.647 6.441 . . . 1.0 . . . . . . . . . . . . A . 11 GLN CB . . . . . . . . . c34215_6f7o 1 . 7 . 1585 . 1 1 11 GLN CD C 5.163 16.868 7.592 . . . 1.0 . . . . . . . . . . . . A . 11 GLN CD . . . . . . . . . c34215_6f7o 1 . 7 . 1586 . 1 1 11 GLN CG C 4.681 16.162 6.340 . . . 1.0 . . . . . . . . . . . . A . 11 GLN CG . . . . . . . . . c34215_6f7o 1 . 7 . 1587 . 1 1 11 GLN H H 4.518 12.374 5.357 . . . 1.0 . . . . . . . . . . . . A . 11 GLN H . . . . . . . . . c34215_6f7o 1 . 7 . 1588 . 1 1 11 GLN HA H 5.901 14.681 4.614 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HA . . . . . . . . . c34215_6f7o 1 . 7 . 1589 . 1 1 11 GLN HB2 H 3.821 14.223 6.231 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HB2 . . . . . . . . . c34215_6f7o 1 . 7 . 1590 . 1 1 11 GLN HB3 H 5.072 14.396 7.454 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HB3 . . . . . . . . . c34215_6f7o 1 . 7 . 1591 . 1 1 11 GLN HE21 H 3.471 16.415 8.529 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HE21 . . . . . . . . . c34215_6f7o 1 . 7 . 1592 . 1 1 11 GLN HE22 H 4.623 17.314 9.451 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HE22 . . . . . . . . . c34215_6f7o 1 . 7 . 1593 . 1 1 11 GLN HG2 H 5.276 16.497 5.504 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HG2 . . . . . . . . . c34215_6f7o 1 . 7 . 1594 . 1 1 11 GLN HG3 H 3.645 16.423 6.172 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HG3 . . . . . . . . . c34215_6f7o 1 . 7 . 1595 . 1 1 11 GLN N N 5.367 12.730 5.024 . . . 1.0 . . . . . . . . . . . . A . 11 GLN N . . . . . . . . . c34215_6f7o 1 . 7 . 1596 . 1 1 11 GLN NE2 N 4.334 16.867 8.628 . . . 1.0 . . . . . . . . . . . . A . 11 GLN NE2 . . . . . . . . . c34215_6f7o 1 . 7 . 1597 . 1 1 11 GLN O O 7.909 14.933 6.245 . . . 1.0 . . . . . . . . . . . . A . 11 GLN O . . . . . . . . . c34215_6f7o 1 . 7 . 1598 . 1 1 11 GLN OE1 O 6.269 17.406 7.625 . . . 1.0 . . . . . . . . . . . . A . 11 GLN OE1 . . . . . . . . . c34215_6f7o 1 . 7 . 1599 . 1 1 12 ALA C C 9.597 11.461 6.601 . . . 1.0 . . . . . . . . . . . . A . 12 ALA C . . . . . . . . . c34215_6f7o 1 . 7 . 1600 . 1 1 12 ALA CA C 8.782 12.530 7.317 . . . 1.0 . . . . . . . . . . . . A . 12 ALA CA . . . . . . . . . c34215_6f7o 1 . 7 . 1601 . 1 1 12 ALA CB C 8.550 12.139 8.769 . . . 1.0 . . . . . . . . . . . . A . 12 ALA CB . . . . . . . . . c34215_6f7o 1 . 7 . 1602 . 1 1 12 ALA H H 6.880 12.009 6.548 . . . 1.0 . . . . . . . . . . . . A . 12 ALA H . . . . . . . . . c34215_6f7o 1 . 7 . 1603 . 1 1 12 ALA HA H 9.333 13.460 7.305 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HA . . . . . . . . . c34215_6f7o 1 . 7 . 1604 . 1 1 12 ALA HB1 H 8.251 13.010 9.333 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB1 . . . . . . . . . c34215_6f7o 1 . 7 . 1605 . 1 1 12 ALA HB2 H 7.772 11.392 8.820 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB2 . . . . . . . . . c34215_6f7o 1 . 7 . 1606 . 1 1 12 ALA HB3 H 9.462 11.737 9.182 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB3 . . . . . . . . . c34215_6f7o 1 . 7 . 1607 . 1 1 12 ALA N N 7.507 12.755 6.645 . . . 1.0 . . . . . . . . . . . . A . 12 ALA N . . . . . . . . . c34215_6f7o 1 . 7 . 1608 . 1 1 12 ALA O O 9.802 10.367 7.128 . . . 1.0 . . . . . . . . . . . . A . 12 ALA O . . . . . . . . . c34215_6f7o 1 . 7 . 1609 . 1 1 13 ALA C C 11.994 11.566 3.891 . . . 1.0 . . . . . . . . . . . . A . 13 ALA C . . . . . . . . . c34215_6f7o 1 . 7 . 1610 . 1 1 13 ALA CA C 10.858 10.847 4.611 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CA . . . . . . . . . c34215_6f7o 1 . 7 . 1611 . 1 1 13 ALA CB C 9.976 10.116 3.612 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CB . . . . . . . . . c34215_6f7o 1 . 7 . 1612 . 1 1 13 ALA H H 9.866 12.669 5.032 . . . 1.0 . . . . . . . . . . . . A . 13 ALA H . . . . . . . . . c34215_6f7o 1 . 7 . 1613 . 1 1 13 ALA HA H 11.279 10.116 5.287 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HA . . . . . . . . . c34215_6f7o 1 . 7 . 1614 . 1 1 13 ALA HB1 H 10.585 9.733 2.805 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB1 . . . . . . . . . c34215_6f7o 1 . 7 . 1615 . 1 1 13 ALA HB2 H 9.476 9.293 4.106 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB2 . . . . . . . . . c34215_6f7o 1 . 7 . 1616 . 1 1 13 ALA HB3 H 9.238 10.797 3.213 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB3 . . . . . . . . . c34215_6f7o 1 . 7 . 1617 . 1 1 13 ALA N N 10.062 11.783 5.398 . . . 1.0 . . . . . . . . . . . . A . 13 ALA N . . . . . . . . . c34215_6f7o 1 . 7 . 1618 . 1 1 13 ALA O O 11.816 12.670 3.376 . . . 1.0 . . . . . . . . . . . . A . 13 ALA O . . . . . . . . . c34215_6f7o 1 . 7 . 1619 . 1 1 14 ARG C C 14.642 10.777 1.904 . . . 1.0 . . . . . . . . . . . . A . 14 ARG C . . . . . . . . . c34215_6f7o 1 . 7 . 1620 . 1 1 14 ARG CA C 14.326 11.513 3.203 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CA . . . . . . . . . c34215_6f7o 1 . 7 . 1621 . 1 1 14 ARG CB C 15.540 11.465 4.134 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CB . . . . . . . . . c34215_6f7o 1 . 7 . 1622 . 1 1 14 ARG CD C 17.957 12.042 4.511 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CD . . . . . . . . . c34215_6f7o 1 . 7 . 1623 . 1 1 14 ARG CG C 16.791 12.089 3.538 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CG . . . . . . . . . c34215_6f7o 1 . 7 . 1624 . 1 1 14 ARG CZ C 18.554 12.933 6.724 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CZ . . . . . . . . . c34215_6f7o 1 . 7 . 1625 . 1 1 14 ARG H H 13.242 10.055 4.287 . . . 1.0 . . . . . . . . . . . . A . 14 ARG H . . . . . . . . . c34215_6f7o 1 . 7 . 1626 . 1 1 14 ARG HA H 14.099 12.543 2.974 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HA . . . . . . . . . c34215_6f7o 1 . 7 . 1627 . 1 1 14 ARG HB2 H 15.299 11.994 5.045 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB2 . . . . . . . . . c34215_6f7o 1 . 7 . 1628 . 1 1 14 ARG HB3 H 15.756 10.436 4.371 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB3 . . . . . . . . . c34215_6f7o 1 . 7 . 1629 . 1 1 14 ARG HD2 H 18.167 11.009 4.750 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD2 . . . . . . . . . c34215_6f7o 1 . 7 . 1630 . 1 1 14 ARG HD3 H 18.821 12.484 4.042 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD3 . . . . . . . . . c34215_6f7o 1 . 7 . 1631 . 1 1 14 ARG HE H 16.769 13.134 5.858 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HE . . . . . . . . . c34215_6f7o 1 . 7 . 1632 . 1 1 14 ARG HG2 H 17.061 11.549 2.642 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG2 . . . . . . . . . c34215_6f7o 1 . 7 . 1633 . 1 1 14 ARG HG3 H 16.585 13.121 3.290 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG3 . . . . . . . . . c34215_6f7o 1 . 7 . 1634 . 1 1 14 ARG HH11 H 20.444 12.573 7.340 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH11 . . . . . . . . . c34215_6f7o 1 . 7 . 1635 . 1 1 14 ARG HH12 H 20.037 11.937 5.781 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH12 . . . . . . . . . c34215_6f7o 1 . 7 . 1636 . 1 1 14 ARG HH21 H 18.882 13.732 8.552 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH21 . . . . . . . . . c34215_6f7o 1 . 7 . 1637 . 1 1 14 ARG HH22 H 17.293 13.975 7.913 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH22 . . . . . . . . . c34215_6f7o 1 . 7 . 1638 . 1 1 14 ARG N N 13.161 10.933 3.859 . . . 1.0 . . . . . . . . . . . . A . 14 ARG N . . . . . . . . . c34215_6f7o 1 . 7 . 1639 . 1 1 14 ARG NE N 17.666 12.761 5.749 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NE . . . . . . . . . c34215_6f7o 1 . 7 . 1640 . 1 1 14 ARG NH1 N 19.779 12.441 6.607 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH1 . . . . . . . . . c34215_6f7o 1 . 7 . 1641 . 1 1 14 ARG NH2 N 18.214 13.602 7.821 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH2 . . . . . . . . . c34215_6f7o 1 . 7 . 1642 . 1 1 14 ARG O O 14.520 9.555 1.858 . . . 1.0 . . . . . . . . . . . . A . 14 ARG O . . . . . . . . . c34215_6f7o 1 . 7 . 1643 . 1 1 15 NH2 HN1 H 15.109 12.521 0.996 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 HN1 . . . . . . . . . c34215_6f7o 1 . 7 . 1644 . 1 1 15 NH2 HN2 H 15.255 11.106 0.007 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 HN2 . . . . . . . . . c34215_6f7o 1 . 7 . 1645 . 1 1 15 NH2 N N 15.035 11.530 0.885 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 N . . . . . . . . . c34215_6f7o 1 . 8 . 1646 . 1 1 1 ACE C C -5.124 2.765 11.256 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . c34215_6f7o 1 . 8 . 1647 . 1 1 1 ACE CH3 C -4.291 1.918 12.153 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . c34215_6f7o 1 . 8 . 1648 . 1 1 1 ACE H1 H -4.041 0.988 11.641 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . c34215_6f7o 1 . 8 . 1649 . 1 1 1 ACE H2 H -3.375 2.448 12.410 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . c34215_6f7o 1 . 8 . 1650 . 1 1 1 ACE H3 H -4.848 1.691 13.063 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . c34215_6f7o 1 . 8 . 1651 . 1 1 1 ACE O O -6.249 2.424 10.890 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . c34215_6f7o 1 . 8 . 1652 . 1 1 2 ASP C C -4.308 5.386 8.939 . . . 1.0 . . . . . . . . . . . . A . 2 ASP C . . . . . . . . . c34215_6f7o 1 . 8 . 1653 . 1 1 2 ASP CA C -5.253 4.855 10.014 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CA . . . . . . . . . c34215_6f7o 1 . 8 . 1654 . 1 1 2 ASP CB C -5.824 6.018 10.828 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CB . . . . . . . . . c34215_6f7o 1 . 8 . 1655 . 1 1 2 ASP CG C -7.244 5.759 11.289 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CG . . . . . . . . . c34215_6f7o 1 . 8 . 1656 . 1 1 2 ASP H H -3.668 4.132 11.215 . . . 1.0 . . . . . . . . . . . . A . 2 ASP H . . . . . . . . . c34215_6f7o 1 . 8 . 1657 . 1 1 2 ASP HA H -6.064 4.330 9.534 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HA . . . . . . . . . c34215_6f7o 1 . 8 . 1658 . 1 1 2 ASP HB2 H -5.206 6.177 11.700 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HB2 . . . . . . . . . c34215_6f7o 1 . 8 . 1659 . 1 1 2 ASP HB3 H -5.819 6.911 10.222 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HB3 . . . . . . . . . c34215_6f7o 1 . 8 . 1660 . 1 1 2 ASP N N -4.564 3.914 10.891 . . . 1.0 . . . . . . . . . . . . A . 2 ASP N . . . . . . . . . c34215_6f7o 1 . 8 . 1661 . 1 1 2 ASP O O -3.085 5.322 9.065 . . . 1.0 . . . . . . . . . . . . A . 2 ASP O . . . . . . . . . c34215_6f7o 1 . 8 . 1662 . 1 1 2 ASP OD1 O -8.128 6.586 10.980 . . . 1.0 . . . . . . . . . . . . A . 2 ASP OD1 . . . . . . . . . c34215_6f7o 1 . 8 . 1663 . 1 1 2 ASP OD2 O -7.472 4.730 11.959 . . . 1.0 . . . . . . . . . . . . A . 2 ASP OD2 . . . . . . . . . c34215_6f7o 1 . 8 . 1664 . 1 1 3 PRO C C -3.395 7.766 7.112 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . c34215_6f7o 1 . 8 . 1665 . 1 1 3 PRO CA C -4.119 6.478 6.738 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . c34215_6f7o 1 . 8 . 1666 . 1 1 3 PRO CB C -5.184 6.750 5.673 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . c34215_6f7o 1 . 8 . 1667 . 1 1 3 PRO CD C -6.341 6.036 7.640 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . c34215_6f7o 1 . 8 . 1668 . 1 1 3 PRO CG C -6.447 6.940 6.443 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . c34215_6f7o 1 . 8 . 1669 . 1 1 3 PRO HA H -3.404 5.761 6.359 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . c34215_6f7o 1 . 8 . 1670 . 1 1 3 PRO HB2 H -4.922 7.641 5.120 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . c34215_6f7o 1 . 8 . 1671 . 1 1 3 PRO HB3 H -5.253 5.907 5.003 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . c34215_6f7o 1 . 8 . 1672 . 1 1 3 PRO HD2 H -6.825 6.486 8.496 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . c34215_6f7o 1 . 8 . 1673 . 1 1 3 PRO HD3 H -6.773 5.070 7.423 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . c34215_6f7o 1 . 8 . 1674 . 1 1 3 PRO HG2 H -6.536 7.970 6.755 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . c34215_6f7o 1 . 8 . 1675 . 1 1 3 PRO HG3 H -7.292 6.656 5.834 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . c34215_6f7o 1 . 8 . 1676 . 1 1 3 PRO N N -4.889 5.924 7.857 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . c34215_6f7o 1 . 8 . 1677 . 1 1 3 PRO O O -2.444 8.171 6.444 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . c34215_6f7o 1 . 8 . 1678 . 1 1 4 GLN C C -1.750 9.473 8.882 . . . 1.0 . . . . . . . . . . . . A . 4 GLN C . . . . . . . . . c34215_6f7o 1 . 8 . 1679 . 1 1 4 GLN CA C -3.247 9.650 8.646 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CA . . . . . . . . . c34215_6f7o 1 . 8 . 1680 . 1 1 4 GLN CB C -3.924 10.122 9.933 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CB . . . . . . . . . c34215_6f7o 1 . 8 . 1681 . 1 1 4 GLN CD C -4.360 12.434 10.855 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CD . . . . . . . . . c34215_6f7o 1 . 8 . 1682 . 1 1 4 GLN CG C -4.692 11.425 9.774 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CG . . . . . . . . . c34215_6f7o 1 . 8 . 1683 . 1 1 4 GLN H H -4.613 8.032 8.676 . . . 1.0 . . . . . . . . . . . . A . 4 GLN H . . . . . . . . . c34215_6f7o 1 . 8 . 1684 . 1 1 4 GLN HA H -3.392 10.392 7.879 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HA . . . . . . . . . c34215_6f7o 1 . 8 . 1685 . 1 1 4 GLN HB2 H -4.616 9.360 10.263 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HB2 . . . . . . . . . c34215_6f7o 1 . 8 . 1686 . 1 1 4 GLN HB3 H -3.170 10.265 10.691 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HB3 . . . . . . . . . c34215_6f7o 1 . 8 . 1687 . 1 1 4 GLN HE21 H -4.932 11.150 12.261 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HE21 . . . . . . . . . c34215_6f7o 1 . 8 . 1688 . 1 1 4 GLN HE22 H -4.371 12.683 12.827 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HE22 . . . . . . . . . c34215_6f7o 1 . 8 . 1689 . 1 1 4 GLN HG2 H -4.446 11.857 8.814 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HG2 . . . . . . . . . c34215_6f7o 1 . 8 . 1690 . 1 1 4 GLN HG3 H -5.750 11.212 9.813 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HG3 . . . . . . . . . c34215_6f7o 1 . 8 . 1691 . 1 1 4 GLN N N -3.852 8.406 8.185 . . . 1.0 . . . . . . . . . . . . A . 4 GLN N . . . . . . . . . c34215_6f7o 1 . 8 . 1692 . 1 1 4 GLN NE2 N -4.576 12.051 12.108 . . . 1.0 . . . . . . . . . . . . A . 4 GLN NE2 . . . . . . . . . c34215_6f7o 1 . 8 . 1693 . 1 1 4 GLN O O -0.961 10.388 8.645 . . . 1.0 . . . . . . . . . . . . A . 4 GLN O . . . . . . . . . c34215_6f7o 1 . 8 . 1694 . 1 1 4 GLN OE1 O -3.915 13.546 10.570 . . . 1.0 . . . . . . . . . . . . A . 4 GLN OE1 . . . . . . . . . c34215_6f7o 1 . 8 . 1695 . 1 1 5 HIS C C 0.814 7.821 8.312 . . . 1.0 . . . . . . . . . . . . A . 5 HIS C . . . . . . . . . c34215_6f7o 1 . 8 . 1696 . 1 1 5 HIS CA C 0.038 7.993 9.616 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CA . . . . . . . . . c34215_6f7o 1 . 8 . 1697 . 1 1 5 HIS CB C 0.160 6.727 10.467 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CB . . . . . . . . . c34215_6f7o 1 . 8 . 1698 . 1 1 5 HIS CD2 C 1.569 6.133 12.562 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CD2 . . . . . . . . . c34215_6f7o 1 . 8 . 1699 . 1 1 5 HIS CE1 C 3.409 7.196 12.023 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CE1 . . . . . . . . . c34215_6f7o 1 . 8 . 1700 . 1 1 5 HIS CG C 1.361 6.722 11.362 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CG . . . . . . . . . c34215_6f7o 1 . 8 . 1701 . 1 1 5 HIS H H -2.040 7.599 9.517 . . . 1.0 . . . . . . . . . . . . A . 5 HIS H . . . . . . . . . c34215_6f7o 1 . 8 . 1702 . 1 1 5 HIS HA H 0.455 8.824 10.161 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HA . . . . . . . . . c34215_6f7o 1 . 8 . 1703 . 1 1 5 HIS HB2 H -0.716 6.634 11.088 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB2 . . . . . . . . . c34215_6f7o 1 . 8 . 1704 . 1 1 5 HIS HB3 H 0.226 5.869 9.814 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB3 . . . . . . . . . c34215_6f7o 1 . 8 . 1705 . 1 1 5 HIS HD1 H 2.698 7.905 10.241 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD1 . . . . . . . . . c34215_6f7o 1 . 8 . 1706 . 1 1 5 HIS HD2 H 0.861 5.530 13.110 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD2 . . . . . . . . . c34215_6f7o 1 . 8 . 1707 . 1 1 5 HIS HE1 H 4.412 7.596 12.054 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HE1 . . . . . . . . . c34215_6f7o 1 . 8 . 1708 . 1 1 5 HIS N N -1.366 8.289 9.349 . . . 1.0 . . . . . . . . . . . . A . 5 HIS N . . . . . . . . . c34215_6f7o 1 . 8 . 1709 . 1 1 5 HIS ND1 N 2.532 7.382 11.052 . . . 1.0 . . . . . . . . . . . . A . 5 HIS ND1 . . . . . . . . . c34215_6f7o 1 . 8 . 1710 . 1 1 5 HIS NE2 N 2.848 6.445 12.953 . . . 1.0 . . . . . . . . . . . . A . 5 HIS NE2 . . . . . . . . . c34215_6f7o 1 . 8 . 1711 . 1 1 5 HIS O O 2.027 8.016 8.307 . . . 1.0 . . . . . . . . . . . . A . 5 HIS O . . . . . . . . . c34215_6f7o 1 . 8 . 1712 . 1 1 6 . C C 1.353 8.566 5.526 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 C . . . . . . . . . c34215_6f7o 1 . 8 . 1713 . 1 1 6 . CA C 0.823 7.179 5.891 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 CA . . . . . . . . . c34215_6f7o 1 . 8 . 1714 . 1 1 6 . CB C -0.171 6.758 4.763 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 CB . . . . . . . . . c34215_6f7o 1 . 8 . 1715 . 1 1 6 . CB1 C 1.927 6.079 5.959 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 CB1 . . . . . . . . . c34215_6f7o 1 . 8 . 1716 . 1 1 6 . CD C -0.140 7.574 2.309 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 CD . . . . . . . . . c34215_6f7o 1 . 8 . 1717 . 1 1 6 . CE C 0.734 7.635 1.074 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 CE . . . . . . . . . c34215_6f7o 1 . 8 . 1718 . 1 1 6 . CG C 0.495 6.642 3.360 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 CG . . . . . . . . . c34215_6f7o 1 . 8 . 1719 . 1 1 6 . HB H -0.629 5.799 5.021 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HB . . . . . . . . . c34215_6f7o 1 . 8 . 1720 . 1 1 6 . HB1 H 2.549 6.168 6.844 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HB1 . . . . . . . . . c34215_6f7o 1 . 8 . 1721 . 1 1 6 . HB1A H 1.473 5.087 6.003 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HB1A . . . . . . . . . c34215_6f7o 1 . 8 . 1722 . 1 1 6 . HB1B H 2.601 6.101 5.103 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HB1B . . . . . . . . . c34215_6f7o 1 . 8 . 1723 . 1 1 6 . HBA H -0.988 7.472 4.693 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HBA . . . . . . . . . c34215_6f7o 1 . 8 . 1724 . 1 1 6 . HD H -1.130 7.196 2.041 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HD . . . . . . . . . c34215_6f7o 1 . 8 . 1725 . 1 1 6 . HDA H -0.290 8.571 2.728 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HDA . . . . . . . . . c34215_6f7o 1 . 8 . 1726 . 1 1 6 . HE H 0.542 6.860 0.337 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HE . . . . . . . . . c34215_6f7o 1 . 8 . 1727 . 1 1 6 . HG H 1.557 6.888 3.403 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HG . . . . . . . . . c34215_6f7o 1 . 8 . 1728 . 1 1 6 . HGA H 0.432 5.608 3.012 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HGA . . . . . . . . . c34215_6f7o 1 . 8 . 1729 . 1 1 6 . HN H -0.802 7.107 7.288 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HN . . . . . . . . . c34215_6f7o 1 . 8 . 1730 . 1 1 6 . N N 0.187 7.297 7.227 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 N . . . . . . . . . c34215_6f7o 1 . 8 . 1731 . 1 1 6 . O O 2.512 8.778 5.252 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 O . . . . . . . . . c34215_6f7o 1 . 8 . 1732 . 1 1 7 ARG C C 1.867 11.484 6.307 . . . 1.0 . . . . . . . . . . . . A . 7 ARG C . . . . . . . . . c34215_6f7o 1 . 8 . 1733 . 1 1 7 ARG CA C 0.760 10.983 5.387 . . . 1.0 . . . . . . . . . . . . A . 7 ARG CA . . . . . . . . . c34215_6f7o 1 . 8 . 1734 . 1 1 7 ARG CB C -0.494 11.841 5.569 . . . 1.0 . . . . . . . . . . . . A . 7 ARG CB . . . . . . . . . c34215_6f7o 1 . 8 . 1735 . 1 1 7 ARG CD C -0.588 13.356 3.569 . . . 1.0 . . . . . . . . . . . . A . 7 ARG CD . . . . . . . . . c34215_6f7o 1 . 8 . 1736 . 1 1 7 ARG CG C -0.340 13.264 5.067 . . . 1.0 . . . . . . . . . . . . A . 7 ARG CG . . . . . . . . . c34215_6f7o 1 . 8 . 1737 . 1 1 7 ARG CZ C -0.042 15.713 3.129 . . . 1.0 . . . . . . . . . . . . A . 7 ARG CZ . . . . . . . . . c34215_6f7o 1 . 8 . 1738 . 1 1 7 ARG H H -0.454 9.328 5.908 . . . 1.0 . . . . . . . . . . . . A . 7 ARG H . . . . . . . . . c34215_6f7o 1 . 8 . 1739 . 1 1 7 ARG HA H 1.094 11.065 4.362 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HA . . . . . . . . . c34215_6f7o 1 . 8 . 1740 . 1 1 7 ARG HB2 H -1.313 11.378 5.033 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HB2 . . . . . . . . . c34215_6f7o 1 . 8 . 1741 . 1 1 7 ARG HB3 H -0.740 11.877 6.620 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HB3 . . . . . . . . . c34215_6f7o 1 . 8 . 1742 . 1 1 7 ARG HD2 H -0.323 12.415 3.115 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HD2 . . . . . . . . . c34215_6f7o 1 . 8 . 1743 . 1 1 7 ARG HD3 H -1.636 13.551 3.402 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HD3 . . . . . . . . . c34215_6f7o 1 . 8 . 1744 . 1 1 7 ARG HE H 0.939 14.154 2.366 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HE . . . . . . . . . c34215_6f7o 1 . 8 . 1745 . 1 1 7 ARG HG2 H -1.050 13.896 5.576 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HG2 . . . . . . . . . c34215_6f7o 1 . 8 . 1746 . 1 1 7 ARG HG3 H 0.665 13.602 5.277 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HG3 . . . . . . . . . c34215_6f7o 1 . 8 . 1747 . 1 1 7 ARG HH11 H -1.219 17.076 4.048 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HH11 . . . . . . . . . c34215_6f7o 1 . 8 . 1748 . 1 1 7 ARG HH12 H -1.613 15.419 4.366 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HH12 . . . . . . . . . c34215_6f7o 1 . 8 . 1749 . 1 1 7 ARG HH21 H 0.537 17.594 2.668 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HH21 . . . . . . . . . c34215_6f7o 1 . 8 . 1750 . 1 1 7 ARG HH22 H 1.470 16.331 1.939 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HH22 . . . . . . . . . c34215_6f7o 1 . 8 . 1751 . 1 1 7 ARG N N 0.459 9.582 5.650 . . . 1.0 . . . . . . . . . . . . A . 7 ARG N . . . . . . . . . c34215_6f7o 1 . 8 . 1752 . 1 1 7 ARG NE N 0.198 14.418 2.948 . . . 1.0 . . . . . . . . . . . . A . 7 ARG NE . . . . . . . . . c34215_6f7o 1 . 8 . 1753 . 1 1 7 ARG NH1 N -1.040 16.101 3.912 . . . 1.0 . . . . . . . . . . . . A . 7 ARG NH1 . . . . . . . . . c34215_6f7o 1 . 8 . 1754 . 1 1 7 ARG NH2 N 0.717 16.622 2.531 . . . 1.0 . . . . . . . . . . . . A . 7 ARG NH2 . . . . . . . . . c34215_6f7o 1 . 8 . 1755 . 1 1 7 ARG O O 2.819 12.124 5.860 . . . 1.0 . . . . . . . . . . . . A . 7 ARG O . . . . . . . . . c34215_6f7o 1 . 8 . 1756 . 1 1 8 LYS C C 4.119 11.108 8.202 . . . 1.0 . . . . . . . . . . . . A . 8 LYS C . . . . . . . . . c34215_6f7o 1 . 8 . 1757 . 1 1 8 LYS CA C 2.729 11.609 8.581 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CA . . . . . . . . . c34215_6f7o 1 . 8 . 1758 . 1 1 8 LYS CB C 2.349 11.087 9.969 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CB . . . . . . . . . c34215_6f7o 1 . 8 . 1759 . 1 1 8 LYS CD C 4.158 12.437 11.074 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CD . . . . . . . . . c34215_6f7o 1 . 8 . 1760 . 1 1 8 LYS CE C 4.270 12.871 12.526 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CE . . . . . . . . . c34215_6f7o 1 . 8 . 1761 . 1 1 8 LYS CG C 3.509 11.069 10.949 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CG . . . . . . . . . c34215_6f7o 1 . 8 . 1762 . 1 1 8 LYS H H 0.958 10.676 7.892 . . . 1.0 . . . . . . . . . . . . A . 8 LYS H . . . . . . . . . c34215_6f7o 1 . 8 . 1763 . 1 1 8 LYS HA H 2.741 12.687 8.601 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HA . . . . . . . . . c34215_6f7o 1 . 8 . 1764 . 1 1 8 LYS HB2 H 1.572 11.716 10.376 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB2 . . . . . . . . . c34215_6f7o 1 . 8 . 1765 . 1 1 8 LYS HB3 H 1.970 10.079 9.872 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB3 . . . . . . . . . c34215_6f7o 1 . 8 . 1766 . 1 1 8 LYS HD2 H 5.147 12.397 10.643 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD2 . . . . . . . . . c34215_6f7o 1 . 8 . 1767 . 1 1 8 LYS HD3 H 3.558 13.158 10.537 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD3 . . . . . . . . . c34215_6f7o 1 . 8 . 1768 . 1 1 8 LYS HE2 H 3.286 12.869 12.967 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE2 . . . . . . . . . c34215_6f7o 1 . 8 . 1769 . 1 1 8 LYS HE3 H 4.900 12.167 13.051 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE3 . . . . . . . . . c34215_6f7o 1 . 8 . 1770 . 1 1 8 LYS HG2 H 3.144 10.766 11.920 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG2 . . . . . . . . . c34215_6f7o 1 . 8 . 1771 . 1 1 8 LYS HG3 H 4.248 10.360 10.605 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG3 . . . . . . . . . c34215_6f7o 1 . 8 . 1772 . 1 1 8 LYS HZ1 H 5.009 14.465 13.657 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ1 . . . . . . . . . c34215_6f7o 1 . 8 . 1773 . 1 1 8 LYS HZ2 H 4.215 14.941 12.241 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ2 . . . . . . . . . c34215_6f7o 1 . 8 . 1774 . 1 1 8 LYS HZ3 H 5.769 14.279 12.158 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ3 . . . . . . . . . c34215_6f7o 1 . 8 . 1775 . 1 1 8 LYS N N 1.740 11.190 7.596 . . . 1.0 . . . . . . . . . . . . A . 8 LYS N . . . . . . . . . c34215_6f7o 1 . 8 . 1776 . 1 1 8 LYS NZ N 4.858 14.233 12.655 . . . 1.0 . . . . . . . . . . . . A . 8 LYS NZ . . . . . . . . . c34215_6f7o 1 . 8 . 1777 . 1 1 8 LYS O O 5.092 11.863 8.231 . . . 1.0 . . . . . . . . . . . . A . 8 LYS O . . . . . . . . . c34215_6f7o 1 . 8 . 1778 . 1 1 9 LEU C C 5.951 9.773 6.114 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . c34215_6f7o 1 . 8 . 1779 . 1 1 9 LEU CA C 5.477 9.231 7.457 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . c34215_6f7o 1 . 8 . 1780 . 1 1 9 LEU CB C 5.344 7.707 7.384 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . c34215_6f7o 1 . 8 . 1781 . 1 1 9 LEU CD1 C 5.179 5.597 8.725 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . c34215_6f7o 1 . 8 . 1782 . 1 1 9 LEU CD2 C 7.398 6.712 8.421 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . c34215_6f7o 1 . 8 . 1783 . 1 1 9 LEU CG C 5.899 6.927 8.577 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . c34215_6f7o 1 . 8 . 1784 . 1 1 9 LEU H H 3.397 9.277 7.840 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . c34215_6f7o 1 . 8 . 1785 . 1 1 9 LEU HA H 6.208 9.483 8.212 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . c34215_6f7o 1 . 8 . 1786 . 1 1 9 LEU HB2 H 4.294 7.472 7.296 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . c34215_6f7o 1 . 8 . 1787 . 1 1 9 LEU HB3 H 5.862 7.373 6.499 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . c34215_6f7o 1 . 8 . 1788 . 1 1 9 LEU HD11 H 5.878 4.790 8.565 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . c34215_6f7o 1 . 8 . 1789 . 1 1 9 LEU HD12 H 4.384 5.534 7.997 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . c34215_6f7o 1 . 8 . 1790 . 1 1 9 LEU HD13 H 4.762 5.521 9.721 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . c34215_6f7o 1 . 8 . 1791 . 1 1 9 LEU HD21 H 7.598 6.254 7.464 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . c34215_6f7o 1 . 8 . 1792 . 1 1 9 LEU HD22 H 7.752 6.064 9.211 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . c34215_6f7o 1 . 8 . 1793 . 1 1 9 LEU HD23 H 7.905 7.662 8.480 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . c34215_6f7o 1 . 8 . 1794 . 1 1 9 LEU HG H 5.734 7.497 9.482 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . c34215_6f7o 1 . 8 . 1795 . 1 1 9 LEU N N 4.206 9.830 7.843 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . c34215_6f7o 1 . 8 . 1796 . 1 1 9 LEU O O 7.157 9.870 5.895 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . c34215_6f7o 1 . 8 . 1797 . 1 1 10 . C C 5.965 12.016 4.046 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 C . . . . . . . . . c34215_6f7o 1 . 8 . 1798 . 1 1 10 . CA C 5.390 10.610 3.803 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 CA . . . . . . . . . c34215_6f7o 1 . 8 . 1799 . 1 1 10 . CB C 4.098 10.769 2.941 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 CB . . . . . . . . . c34215_6f7o 1 . 8 . 1800 . 1 1 10 . CB1 C 6.423 9.756 3.005 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 CB1 . . . . . . . . . c34215_6f7o 1 . 8 . 1801 . 1 1 10 . CD C 2.147 9.677 1.698 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 CD . . . . . . . . . c34215_6f7o 1 . 8 . 1802 . 1 1 10 . CE C 1.709 8.520 0.821 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 CE . . . . . . . . . c34215_6f7o 1 . 8 . 1803 . 1 1 10 . CG C 3.572 9.474 2.260 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 CG . . . . . . . . . c34215_6f7o 1 . 8 . 1804 . 1 1 10 . HB H 3.306 11.191 3.559 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HB . . . . . . . . . c34215_6f7o 1 . 8 . 1805 . 1 1 10 . HB1 H 7.420 9.805 3.446 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HB1 . . . . . . . . . c34215_6f7o 1 . 8 . 1806 . 1 1 10 . HB1A H 6.128 8.705 2.975 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HB1A . . . . . . . . . c34215_6f7o 1 . 8 . 1807 . 1 1 10 . HB1B H 6.513 10.119 1.977 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HB1B . . . . . . . . . c34215_6f7o 1 . 8 . 1808 . 1 1 10 . HBA H 4.287 11.501 2.150 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HBA . . . . . . . . . c34215_6f7o 1 . 8 . 1809 . 1 1 10 . HD H 1.459 9.835 2.526 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HD . . . . . . . . . c34215_6f7o 1 . 8 . 1810 . 1 1 10 . HDA H 2.132 10.586 1.094 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HDA . . . . . . . . . c34215_6f7o 1 . 8 . 1811 . 1 1 10 . HE H 2.257 8.422 -0.113 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HE . . . . . . . . . c34215_6f7o 1 . 8 . 1812 . 1 1 10 . HG H 4.238 9.201 1.436 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HG . . . . . . . . . c34215_6f7o 1 . 8 . 1813 . 1 1 10 . HGA H 3.571 8.638 2.960 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HGA . . . . . . . . . c34215_6f7o 1 . 8 . 1814 . 1 1 10 . HN H 4.092 9.805 5.301 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HN . . . . . . . . . c34215_6f7o 1 . 8 . 1815 . 1 1 10 . N N 5.065 9.990 5.115 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 N . . . . . . . . . c34215_6f7o 1 . 8 . 1816 . 1 1 10 . O O 6.930 12.459 3.456 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 O . . . . . . . . . c34215_6f7o 1 . 8 . 1817 . 1 1 11 GLN C C 7.163 13.946 6.164 . . . 1.0 . . . . . . . . . . . . A . 11 GLN C . . . . . . . . . c34215_6f7o 1 . 8 . 1818 . 1 1 11 GLN CA C 5.804 14.039 5.482 . . . 1.0 . . . . . . . . . . . . A . 11 GLN CA . . . . . . . . . c34215_6f7o 1 . 8 . 1819 . 1 1 11 GLN CB C 4.776 14.642 6.444 . . . 1.0 . . . . . . . . . . . . A . 11 GLN CB . . . . . . . . . c34215_6f7o 1 . 8 . 1820 . 1 1 11 GLN CD C 5.802 16.876 7.029 . . . 1.0 . . . . . . . . . . . . A . 11 GLN CD . . . . . . . . . c34215_6f7o 1 . 8 . 1821 . 1 1 11 GLN CG C 4.660 16.154 6.341 . . . 1.0 . . . . . . . . . . . . A . 11 GLN CG . . . . . . . . . c34215_6f7o 1 . 8 . 1822 . 1 1 11 GLN H H 4.510 12.370 5.355 . . . 1.0 . . . . . . . . . . . . A . 11 GLN H . . . . . . . . . c34215_6f7o 1 . 8 . 1823 . 1 1 11 GLN HA H 5.890 14.682 4.617 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HA . . . . . . . . . c34215_6f7o 1 . 8 . 1824 . 1 1 11 GLN HB2 H 3.808 14.213 6.233 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HB2 . . . . . . . . . c34215_6f7o 1 . 8 . 1825 . 1 1 11 GLN HB3 H 5.061 14.394 7.457 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HB3 . . . . . . . . . c34215_6f7o 1 . 8 . 1826 . 1 1 11 GLN HE21 H 6.245 17.833 5.345 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HE21 . . . . . . . . . c34215_6f7o 1 . 8 . 1827 . 1 1 11 GLN HE22 H 7.247 18.202 6.703 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HE22 . . . . . . . . . c34215_6f7o 1 . 8 . 1828 . 1 1 11 GLN HG2 H 4.658 16.433 5.298 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HG2 . . . . . . . . . c34215_6f7o 1 . 8 . 1829 . 1 1 11 GLN HG3 H 3.732 16.463 6.798 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HG3 . . . . . . . . . c34215_6f7o 1 . 8 . 1830 . 1 1 11 GLN N N 5.358 12.729 5.023 . . . 1.0 . . . . . . . . . . . . A . 11 GLN N . . . . . . . . . c34215_6f7o 1 . 8 . 1831 . 1 1 11 GLN NE2 N 6.503 17.722 6.284 . . . 1.0 . . . . . . . . . . . . A . 11 GLN NE2 . . . . . . . . . c34215_6f7o 1 . 8 . 1832 . 1 1 11 GLN O O 7.892 14.932 6.253 . . . 1.0 . . . . . . . . . . . . A . 11 GLN O . . . . . . . . . c34215_6f7o 1 . 8 . 1833 . 1 1 11 GLN OE1 O 6.054 16.674 8.218 . . . 1.0 . . . . . . . . . . . . A . 11 GLN OE1 . . . . . . . . . c34215_6f7o 1 . 8 . 1834 . 1 1 12 ALA C C 9.939 12.698 6.353 . . . 1.0 . . . . . . . . . . . . A . 12 ALA C . . . . . . . . . c34215_6f7o 1 . 8 . 1835 . 1 1 12 ALA CA C 8.772 12.529 7.319 . . . 1.0 . . . . . . . . . . . . A . 12 ALA CA . . . . . . . . . c34215_6f7o 1 . 8 . 1836 . 1 1 12 ALA CB C 8.800 11.145 7.947 . . . 1.0 . . . . . . . . . . . . A . 12 ALA CB . . . . . . . . . c34215_6f7o 1 . 8 . 1837 . 1 1 12 ALA H H 6.873 12.004 6.544 . . . 1.0 . . . . . . . . . . . . A . 12 ALA H . . . . . . . . . c34215_6f7o 1 . 8 . 1838 . 1 1 12 ALA HA H 8.862 13.260 8.110 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HA . . . . . . . . . c34215_6f7o 1 . 8 . 1839 . 1 1 12 ALA HB1 H 7.823 10.913 8.351 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB1 . . . . . . . . . c34215_6f7o 1 . 8 . 1840 . 1 1 12 ALA HB2 H 9.063 10.416 7.199 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB2 . . . . . . . . . c34215_6f7o 1 . 8 . 1841 . 1 1 12 ALA HB3 H 9.531 11.126 8.744 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB3 . . . . . . . . . c34215_6f7o 1 . 8 . 1842 . 1 1 12 ALA N N 7.497 12.753 6.646 . . . 1.0 . . . . . . . . . . . . A . 12 ALA N . . . . . . . . . c34215_6f7o 1 . 8 . 1843 . 1 1 12 ALA O O 10.949 13.316 6.689 . . . 1.0 . . . . . . . . . . . . A . 12 ALA O . . . . . . . . . c34215_6f7o 1 . 8 . 1844 . 1 1 13 ALA C C 10.999 13.671 3.646 . . . 1.0 . . . . . . . . . . . . A . 13 ALA C . . . . . . . . . c34215_6f7o 1 . 8 . 1845 . 1 1 13 ALA CA C 10.837 12.237 4.140 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CA . . . . . . . . . c34215_6f7o 1 . 8 . 1846 . 1 1 13 ALA CB C 10.522 11.309 2.977 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CB . . . . . . . . . c34215_6f7o 1 . 8 . 1847 . 1 1 13 ALA H H 8.963 11.667 4.945 . . . 1.0 . . . . . . . . . . . . A . 13 ALA H . . . . . . . . . c34215_6f7o 1 . 8 . 1848 . 1 1 13 ALA HA H 11.766 11.912 4.585 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HA . . . . . . . . . c34215_6f7o 1 . 8 . 1849 . 1 1 13 ALA HB1 H 10.282 10.327 3.355 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB1 . . . . . . . . . c34215_6f7o 1 . 8 . 1850 . 1 1 13 ALA HB2 H 9.681 11.697 2.422 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB2 . . . . . . . . . c34215_6f7o 1 . 8 . 1851 . 1 1 13 ALA HB3 H 11.381 11.243 2.324 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB3 . . . . . . . . . c34215_6f7o 1 . 8 . 1852 . 1 1 13 ALA N N 9.794 12.144 5.153 . . . 1.0 . . . . . . . . . . . . A . 13 ALA N . . . . . . . . . c34215_6f7o 1 . 8 . 1853 . 1 1 13 ALA O O 10.203 14.154 2.842 . . . 1.0 . . . . . . . . . . . . A . 13 ALA O . . . . . . . . . c34215_6f7o 1 . 8 . 1854 . 1 1 14 ARG C C 13.793 16.038 3.835 . . . 1.0 . . . . . . . . . . . . A . 14 ARG C . . . . . . . . . c34215_6f7o 1 . 8 . 1855 . 1 1 14 ARG CA C 12.301 15.723 3.745 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CA . . . . . . . . . c34215_6f7o 1 . 8 . 1856 . 1 1 14 ARG CB C 11.513 16.688 4.630 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CB . . . . . . . . . c34215_6f7o 1 . 8 . 1857 . 1 1 14 ARG CD C 13.039 17.548 6.434 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CD . . . . . . . . . c34215_6f7o 1 . 8 . 1858 . 1 1 14 ARG CG C 11.889 16.609 6.102 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CG . . . . . . . . . c34215_6f7o 1 . 8 . 1859 . 1 1 14 ARG CZ C 14.023 18.640 8.406 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CZ . . . . . . . . . c34215_6f7o 1 . 8 . 1860 . 1 1 14 ARG H H 12.636 13.905 4.772 . . . 1.0 . . . . . . . . . . . . A . 14 ARG H . . . . . . . . . c34215_6f7o 1 . 8 . 1861 . 1 1 14 ARG HA H 11.982 15.847 2.719 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HA . . . . . . . . . c34215_6f7o 1 . 8 . 1862 . 1 1 14 ARG HB2 H 11.689 17.698 4.292 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB2 . . . . . . . . . c34215_6f7o 1 . 8 . 1863 . 1 1 14 ARG HB3 H 10.462 16.464 4.540 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB3 . . . . . . . . . c34215_6f7o 1 . 8 . 1864 . 1 1 14 ARG HD2 H 13.963 17.093 6.109 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD2 . . . . . . . . . c34215_6f7o 1 . 8 . 1865 . 1 1 14 ARG HD3 H 12.890 18.479 5.906 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD3 . . . . . . . . . c34215_6f7o 1 . 8 . 1866 . 1 1 14 ARG HE H 12.478 17.378 8.453 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HE . . . . . . . . . c34215_6f7o 1 . 8 . 1867 . 1 1 14 ARG HG2 H 11.032 16.882 6.700 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG2 . . . . . . . . . c34215_6f7o 1 . 8 . 1868 . 1 1 14 ARG HG3 H 12.185 15.597 6.336 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG3 . . . . . . . . . c34215_6f7o 1 . 8 . 1869 . 1 1 14 ARG HH11 H 15.584 19.872 8.044 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH11 . . . . . . . . . c34215_6f7o 1 . 8 . 1870 . 1 1 14 ARG HH12 H 14.900 19.109 6.647 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH12 . . . . . . . . . c34215_6f7o 1 . 8 . 1871 . 1 1 14 ARG HH21 H 14.713 19.453 10.122 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH21 . . . . . . . . . c34215_6f7o 1 . 8 . 1872 . 1 1 14 ARG HH22 H 13.370 18.376 10.301 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH22 . . . . . . . . . c34215_6f7o 1 . 8 . 1873 . 1 1 14 ARG N N 12.036 14.344 4.133 . . . 1.0 . . . . . . . . . . . . A . 14 ARG N . . . . . . . . . c34215_6f7o 1 . 8 . 1874 . 1 1 14 ARG NE N 13.123 17.824 7.866 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NE . . . . . . . . . c34215_6f7o 1 . 8 . 1875 . 1 1 14 ARG NH1 N 14.907 19.257 7.635 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH1 . . . . . . . . . c34215_6f7o 1 . 8 . 1876 . 1 1 14 ARG NH2 N 14.038 18.840 9.717 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH2 . . . . . . . . . c34215_6f7o 1 . 8 . 1877 . 1 1 14 ARG O O 14.579 15.141 4.136 . . . 1.0 . . . . . . . . . . . . A . 14 ARG O . . . . . . . . . c34215_6f7o 1 . 8 . 1878 . 1 1 15 NH2 HN1 H 13.447 17.963 3.335 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 HN1 . . . . . . . . . c34215_6f7o 1 . 8 . 1879 . 1 1 15 NH2 HN2 H 15.107 17.554 3.616 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 HN2 . . . . . . . . . c34215_6f7o 1 . 8 . 1880 . 1 1 15 NH2 N N 14.145 17.287 3.573 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 N . . . . . . . . . c34215_6f7o 1 . 9 . 1881 . 1 1 1 ACE C C -4.207 2.730 11.395 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . c34215_6f7o 1 . 9 . 1882 . 1 1 1 ACE CH3 C -3.262 1.976 12.264 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . c34215_6f7o 1 . 9 . 1883 . 1 1 1 ACE H1 H -3.337 0.912 12.045 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . c34215_6f7o 1 . 9 . 1884 . 1 1 1 ACE H2 H -2.243 2.315 12.074 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . c34215_6f7o 1 . 9 . 1885 . 1 1 1 ACE H3 H -3.512 2.150 13.311 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . c34215_6f7o 1 . 9 . 1886 . 1 1 1 ACE O O -5.083 2.166 10.738 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . c34215_6f7o 1 . 9 . 1887 . 1 1 2 ASP C C -4.151 5.377 9.325 . . . 1.0 . . . . . . . . . . . . A . 2 ASP C . . . . . . . . . c34215_6f7o 1 . 9 . 1888 . 1 1 2 ASP CA C -4.880 4.927 10.588 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CA . . . . . . . . . c34215_6f7o 1 . 9 . 1889 . 1 1 2 ASP CB C -5.306 6.143 11.407 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CB . . . . . . . . . c34215_6f7o 1 . 9 . 1890 . 1 1 2 ASP CG C -6.664 5.956 12.057 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CG . . . . . . . . . c34215_6f7o 1 . 9 . 1891 . 1 1 2 ASP H H -3.319 4.439 11.932 . . . 1.0 . . . . . . . . . . . . A . 2 ASP H . . . . . . . . . c34215_6f7o 1 . 9 . 1892 . 1 1 2 ASP HA H -5.758 4.369 10.301 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HA . . . . . . . . . c34215_6f7o 1 . 9 . 1893 . 1 1 2 ASP HB2 H -4.577 6.322 12.184 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HB2 . . . . . . . . . c34215_6f7o 1 . 9 . 1894 . 1 1 2 ASP HB3 H -5.355 7.007 10.759 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HB3 . . . . . . . . . c34215_6f7o 1 . 9 . 1895 . 1 1 2 ASP N N -4.033 4.047 11.386 . . . 1.0 . . . . . . . . . . . . A . 2 ASP N . . . . . . . . . c34215_6f7o 1 . 9 . 1896 . 1 1 2 ASP O O -2.924 5.319 9.230 . . . 1.0 . . . . . . . . . . . . A . 2 ASP O . . . . . . . . . c34215_6f7o 1 . 9 . 1897 . 1 1 2 ASP OD1 O -6.818 6.349 13.232 . . . 1.0 . . . . . . . . . . . . A . 2 ASP OD1 . . . . . . . . . c34215_6f7o 1 . 9 . 1898 . 1 1 2 ASP OD2 O -7.571 5.417 11.390 . . . 1.0 . . . . . . . . . . . . A . 2 ASP OD2 . . . . . . . . . c34215_6f7o 1 . 9 . 1899 . 1 1 3 PRO C C -3.609 7.620 7.200 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . c34215_6f7o 1 . 9 . 1900 . 1 1 3 PRO CA C -4.373 6.308 7.054 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . c34215_6f7o 1 . 9 . 1901 . 1 1 3 PRO CB C -5.616 6.509 6.183 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . c34215_6f7o 1 . 9 . 1902 . 1 1 3 PRO CD C -6.392 5.936 8.371 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . c34215_6f7o 1 . 9 . 1903 . 1 1 3 PRO CG C -6.722 6.752 7.152 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . c34215_6f7o 1 . 9 . 1904 . 1 1 3 PRO HA H -3.730 5.566 6.601 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . c34215_6f7o 1 . 9 . 1905 . 1 1 3 PRO HB2 H -5.469 7.356 5.529 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . c34215_6f7o 1 . 9 . 1906 . 1 1 3 PRO HB3 H -5.796 5.620 5.596 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . c34215_6f7o 1 . 9 . 1907 . 1 1 3 PRO HD2 H -6.718 6.446 9.266 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . c34215_6f7o 1 . 9 . 1908 . 1 1 3 PRO HD3 H -6.845 4.959 8.305 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . c34215_6f7o 1 . 9 . 1909 . 1 1 3 PRO HG2 H -6.765 7.802 7.403 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . c34215_6f7o 1 . 9 . 1910 . 1 1 3 PRO HG3 H -7.661 6.427 6.729 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . c34215_6f7o 1 . 9 . 1911 . 1 1 3 PRO N N -4.923 5.839 8.328 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . c34215_6f7o 1 . 9 . 1912 . 1 1 3 PRO O O -2.799 7.975 6.343 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . c34215_6f7o 1 . 9 . 1913 . 1 1 4 GLN C C -1.710 9.408 8.744 . . . 1.0 . . . . . . . . . . . . A . 4 GLN C . . . . . . . . . c34215_6f7o 1 . 9 . 1914 . 1 1 4 GLN CA C -3.209 9.607 8.545 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CA . . . . . . . . . c34215_6f7o 1 . 9 . 1915 . 1 1 4 GLN CB C -3.812 10.282 9.778 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CB . . . . . . . . . c34215_6f7o 1 . 9 . 1916 . 1 1 4 GLN CD C -3.804 12.671 8.956 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CD . . . . . . . . . c34215_6f7o 1 . 9 . 1917 . 1 1 4 GLN CG C -4.644 11.512 9.451 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CG . . . . . . . . . c34215_6f7o 1 . 9 . 1918 . 1 1 4 GLN H H -4.529 7.998 8.934 . . . 1.0 . . . . . . . . . . . . A . 4 GLN H . . . . . . . . . c34215_6f7o 1 . 9 . 1919 . 1 1 4 GLN HA H -3.366 10.241 7.687 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HA . . . . . . . . . c34215_6f7o 1 . 9 . 1920 . 1 1 4 GLN HB2 H -4.446 9.571 10.289 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HB2 . . . . . . . . . c34215_6f7o 1 . 9 . 1921 . 1 1 4 GLN HB3 H -3.012 10.580 10.439 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HB3 . . . . . . . . . c34215_6f7o 1 . 9 . 1922 . 1 1 4 GLN HE21 H -2.839 12.746 10.693 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HE21 . . . . . . . . . c34215_6f7o 1 . 9 . 1923 . 1 1 4 GLN HE22 H -2.347 13.906 9.511 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HE22 . . . . . . . . . c34215_6f7o 1 . 9 . 1924 . 1 1 4 GLN HG2 H -5.361 11.254 8.684 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HG2 . . . . . . . . . c34215_6f7o 1 . 9 . 1925 . 1 1 4 GLN HG3 H -5.171 11.821 10.343 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HG3 . . . . . . . . . c34215_6f7o 1 . 9 . 1926 . 1 1 4 GLN N N -3.873 8.335 8.289 . . . 1.0 . . . . . . . . . . . . A . 4 GLN N . . . . . . . . . c34215_6f7o 1 . 9 . 1927 . 1 1 4 GLN NE2 N -2.906 13.158 9.807 . . . 1.0 . . . . . . . . . . . . A . 4 GLN NE2 . . . . . . . . . c34215_6f7o 1 . 9 . 1928 . 1 1 4 GLN O O -0.901 10.235 8.318 . . . 1.0 . . . . . . . . . . . . A . 4 GLN O . . . . . . . . . c34215_6f7o 1 . 9 . 1929 . 1 1 4 GLN OE1 O -3.956 13.124 7.821 . . . 1.0 . . . . . . . . . . . . A . 4 GLN OE1 . . . . . . . . . c34215_6f7o 1 . 9 . 1930 . 1 1 5 HIS C C 0.825 7.829 8.341 . . . 1.0 . . . . . . . . . . . . A . 5 HIS C . . . . . . . . . c34215_6f7o 1 . 9 . 1931 . 1 1 5 HIS CA C 0.060 8.001 9.649 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CA . . . . . . . . . c34215_6f7o 1 . 9 . 1932 . 1 1 5 HIS CB C 0.181 6.732 10.495 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CB . . . . . . . . . c34215_6f7o 1 . 9 . 1933 . 1 1 5 HIS CD2 C 1.495 6.541 12.723 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CD2 . . . . . . . . . c34215_6f7o 1 . 9 . 1934 . 1 1 5 HIS CE1 C 3.516 6.844 11.928 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CE1 . . . . . . . . . c34215_6f7o 1 . 9 . 1935 . 1 1 5 HIS CG C 1.384 6.718 11.385 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CG . . . . . . . . . c34215_6f7o 1 . 9 . 1936 . 1 1 5 HIS H H -2.034 7.688 9.709 . . . 1.0 . . . . . . . . . . . . A . 5 HIS H . . . . . . . . . c34215_6f7o 1 . 9 . 1937 . 1 1 5 HIS HA H 0.487 8.828 10.195 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HA . . . . . . . . . c34215_6f7o 1 . 9 . 1938 . 1 1 5 HIS HB2 H -0.695 6.642 11.120 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB2 . . . . . . . . . c34215_6f7o 1 . 9 . 1939 . 1 1 5 HIS HB3 H 0.240 5.876 9.840 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB3 . . . . . . . . . c34215_6f7o 1 . 9 . 1940 . 1 1 5 HIS HD1 H 2.919 7.063 9.984 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD1 . . . . . . . . . c34215_6f7o 1 . 9 . 1941 . 1 1 5 HIS HD2 H 0.685 6.367 13.416 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD2 . . . . . . . . . c34215_6f7o 1 . 9 . 1942 . 1 1 5 HIS HE1 H 4.589 6.953 11.862 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HE1 . . . . . . . . . c34215_6f7o 1 . 9 . 1943 . 1 1 5 HIS N N -1.344 8.308 9.396 . . . 1.0 . . . . . . . . . . . . A . 5 HIS N . . . . . . . . . c34215_6f7o 1 . 9 . 1944 . 1 1 5 HIS ND1 N 2.668 6.908 10.918 . . . 1.0 . . . . . . . . . . . . A . 5 HIS ND1 . . . . . . . . . c34215_6f7o 1 . 9 . 1945 . 1 1 5 HIS NE2 N 2.830 6.622 13.035 . . . 1.0 . . . . . . . . . . . . A . 5 HIS NE2 . . . . . . . . . c34215_6f7o 1 . 9 . 1946 . 1 1 5 HIS O O 2.038 8.017 8.325 . . . 1.0 . . . . . . . . . . . . A . 5 HIS O . . . . . . . . . c34215_6f7o 1 . 9 . 1947 . 1 1 6 . C C 1.337 8.569 5.552 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 C . . . . . . . . . c34215_6f7o 1 . 9 . 1948 . 1 1 6 . CA C 0.787 7.187 5.914 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 CA . . . . . . . . . c34215_6f7o 1 . 9 . 1949 . 1 1 6 . CB C -0.243 6.801 4.807 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 CB . . . . . . . . . c34215_6f7o 1 . 9 . 1950 . 1 1 6 . CB1 C 1.875 6.070 5.952 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 CB1 . . . . . . . . . c34215_6f7o 1 . 9 . 1951 . 1 1 6 . CD C -0.264 7.734 2.396 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 CD . . . . . . . . . c34215_6f7o 1 . 9 . 1952 . 1 1 6 . CE C 0.553 7.809 1.123 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 CE . . . . . . . . . c34215_6f7o 1 . 9 . 1953 . 1 1 6 . CG C 0.369 6.726 3.376 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 CG . . . . . . . . . c34215_6f7o 1 . 9 . 1954 . 1 1 6 . HB H -0.703 5.841 5.056 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HB . . . . . . . . . c34215_6f7o 1 . 9 . 1955 . 1 1 6 . HB1 H 1.406 5.088 6.059 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HB1 . . . . . . . . . c34215_6f7o 1 . 9 . 1956 . 1 1 6 . HB1A H 2.491 6.047 5.052 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HB1A . . . . . . . . . c34215_6f7o 1 . 9 . 1957 . 1 1 6 . HB1B H 2.553 6.185 6.791 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HB1B . . . . . . . . . c34215_6f7o 1 . 9 . 1958 . 1 1 6 . HBA H -1.053 7.526 4.789 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HBA . . . . . . . . . c34215_6f7o 1 . 9 . 1959 . 1 1 6 . HD H -1.283 7.420 2.159 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HD . . . . . . . . . c34215_6f7o 1 . 9 . 1960 . 1 1 6 . HDA H -0.345 8.713 2.866 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HDA . . . . . . . . . c34215_6f7o 1 . 9 . 1961 . 1 1 6 . HE H 0.315 7.050 0.382 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HE . . . . . . . . . c34215_6f7o 1 . 9 . 1962 . 1 1 6 . HG H 1.441 6.923 3.393 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HG . . . . . . . . . c34215_6f7o 1 . 9 . 1963 . 1 1 6 . HGA H 0.247 5.713 2.983 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HGA . . . . . . . . . c34215_6f7o 1 . 9 . 1964 . 1 1 6 . HN H -0.811 7.107 7.341 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HN . . . . . . . . . c34215_6f7o 1 . 9 . 1965 . 1 1 6 . N N 0.174 7.311 7.261 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 N . . . . . . . . . c34215_6f7o 1 . 9 . 1966 . 1 1 6 . O O 2.500 8.768 5.280 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 O . . . . . . . . . c34215_6f7o 1 . 9 . 1967 . 1 1 7 ARG C C 1.875 11.491 6.327 . . . 1.0 . . . . . . . . . . . . A . 7 ARG C . . . . . . . . . c34215_6f7o 1 . 9 . 1968 . 1 1 7 ARG CA C 0.759 10.994 5.413 . . . 1.0 . . . . . . . . . . . . A . 7 ARG CA . . . . . . . . . c34215_6f7o 1 . 9 . 1969 . 1 1 7 ARG CB C -0.493 11.854 5.605 . . . 1.0 . . . . . . . . . . . . A . 7 ARG CB . . . . . . . . . c34215_6f7o 1 . 9 . 1970 . 1 1 7 ARG CD C -1.630 13.847 4.579 . . . 1.0 . . . . . . . . . . . . A . 7 ARG CD . . . . . . . . . c34215_6f7o 1 . 9 . 1971 . 1 1 7 ARG CG C -0.325 13.287 5.123 . . . 1.0 . . . . . . . . . . . . A . 7 ARG CG . . . . . . . . . c34215_6f7o 1 . 9 . 1972 . 1 1 7 ARG CZ C -0.964 14.391 2.276 . . . 1.0 . . . . . . . . . . . . A . 7 ARG CZ . . . . . . . . . c34215_6f7o 1 . 9 . 1973 . 1 1 7 ARG H H -0.457 9.343 5.939 . . . 1.0 . . . . . . . . . . . . A . 7 ARG H . . . . . . . . . c34215_6f7o 1 . 9 . 1974 . 1 1 7 ARG HA H 1.084 11.075 4.387 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HA . . . . . . . . . c34215_6f7o 1 . 9 . 1975 . 1 1 7 ARG HB2 H -1.310 11.410 5.058 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HB2 . . . . . . . . . c34215_6f7o 1 . 9 . 1976 . 1 1 7 ARG HB3 H -0.741 11.878 6.654 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HB3 . . . . . . . . . c34215_6f7o 1 . 9 . 1977 . 1 1 7 ARG HD2 H -2.453 13.317 5.033 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HD2 . . . . . . . . . c34215_6f7o 1 . 9 . 1978 . 1 1 7 ARG HD3 H -1.692 14.895 4.839 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HD3 . . . . . . . . . c34215_6f7o 1 . 9 . 1979 . 1 1 7 ARG HE H -2.383 13.081 2.773 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HE . . . . . . . . . c34215_6f7o 1 . 9 . 1980 . 1 1 7 ARG HG2 H 0.000 13.899 5.952 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HG2 . . . . . . . . . c34215_6f7o 1 . 9 . 1981 . 1 1 7 ARG HG3 H 0.418 13.310 4.342 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HG3 . . . . . . . . . c34215_6f7o 1 . 9 . 1982 . 1 1 7 ARG HH11 H 0.509 15.763 2.083 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HH11 . . . . . . . . . c34215_6f7o 1 . 9 . 1983 . 1 1 7 ARG HH12 H 0.049 15.387 3.711 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HH12 . . . . . . . . . c34215_6f7o 1 . 9 . 1984 . 1 1 7 ARG HH21 H -0.535 14.726 0.328 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HH21 . . . . . . . . . c34215_6f7o 1 . 9 . 1985 . 1 1 7 ARG HH22 H -1.787 13.564 0.626 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HH22 . . . . . . . . . c34215_6f7o 1 . 9 . 1986 . 1 1 7 ARG N N 0.452 9.593 5.679 . . . 1.0 . . . . . . . . . . . . A . 7 ARG N . . . . . . . . . c34215_6f7o 1 . 9 . 1987 . 1 1 7 ARG NE N -1.722 13.711 3.129 . . . 1.0 . . . . . . . . . . . . A . 7 ARG NE . . . . . . . . . c34215_6f7o 1 . 9 . 1988 . 1 1 7 ARG NH1 N -0.062 15.251 2.729 . . . 1.0 . . . . . . . . . . . . A . 7 ARG NH1 . . . . . . . . . c34215_6f7o 1 . 9 . 1989 . 1 1 7 ARG NH2 N -1.107 14.212 0.970 . . . 1.0 . . . . . . . . . . . . A . 7 ARG NH2 . . . . . . . . . c34215_6f7o 1 . 9 . 1990 . 1 1 7 ARG O O 2.834 12.115 5.871 . . . 1.0 . . . . . . . . . . . . A . 7 ARG O . . . . . . . . . c34215_6f7o 1 . 9 . 1991 . 1 1 8 LYS C C 4.126 11.120 8.211 . . . 1.0 . . . . . . . . . . . . A . 8 LYS C . . . . . . . . . c34215_6f7o 1 . 9 . 1992 . 1 1 8 LYS CA C 2.742 11.626 8.599 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CA . . . . . . . . . c34215_6f7o 1 . 9 . 1993 . 1 1 8 LYS CB C 2.368 11.111 9.988 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CB . . . . . . . . . c34215_6f7o 1 . 9 . 1994 . 1 1 8 LYS CD C 4.187 12.452 11.081 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CD . . . . . . . . . c34215_6f7o 1 . 9 . 1995 . 1 1 8 LYS CE C 4.342 12.873 12.536 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CE . . . . . . . . . c34215_6f7o 1 . 9 . 1996 . 1 1 8 LYS CG C 3.532 11.086 10.962 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CG . . . . . . . . . c34215_6f7o 1 . 9 . 1997 . 1 1 8 LYS H H 0.956 10.710 7.921 . . . 1.0 . . . . . . . . . . . . A . 8 LYS H . . . . . . . . . c34215_6f7o 1 . 9 . 1998 . 1 1 8 LYS HA H 2.757 12.706 8.617 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HA . . . . . . . . . c34215_6f7o 1 . 9 . 1999 . 1 1 8 LYS HB2 H 1.593 11.743 10.400 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB2 . . . . . . . . . c34215_6f7o 1 . 9 . 2000 . 1 1 8 LYS HB3 H 1.984 10.103 9.894 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB3 . . . . . . . . . c34215_6f7o 1 . 9 . 2001 . 1 1 8 LYS HD2 H 5.164 12.413 10.622 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD2 . . . . . . . . . c34215_6f7o 1 . 9 . 2002 . 1 1 8 LYS HD3 H 3.576 13.181 10.567 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD3 . . . . . . . . . c34215_6f7o 1 . 9 . 2003 . 1 1 8 LYS HE2 H 3.450 12.591 13.074 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE2 . . . . . . . . . c34215_6f7o 1 . 9 . 2004 . 1 1 8 LYS HE3 H 5.194 12.357 12.956 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE3 . . . . . . . . . c34215_6f7o 1 . 9 . 2005 . 1 1 8 LYS HG2 H 3.172 10.787 11.934 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG2 . . . . . . . . . c34215_6f7o 1 . 9 . 2006 . 1 1 8 LYS HG3 H 4.266 10.373 10.614 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG3 . . . . . . . . . c34215_6f7o 1 . 9 . 2007 . 1 1 8 LYS HZ1 H 4.403 14.807 11.751 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ1 . . . . . . . . . c34215_6f7o 1 . 9 . 2008 . 1 1 8 LYS HZ2 H 5.517 14.536 12.993 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ2 . . . . . . . . . c34215_6f7o 1 . 9 . 2009 . 1 1 8 LYS HZ3 H 3.877 14.735 13.356 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ3 . . . . . . . . . c34215_6f7o 1 . 9 . 2010 . 1 1 8 LYS N N 1.742 11.210 7.619 . . . 1.0 . . . . . . . . . . . . A . 8 LYS N . . . . . . . . . c34215_6f7o 1 . 9 . 2011 . 1 1 8 LYS NZ N 4.550 14.341 12.668 . . . 1.0 . . . . . . . . . . . . A . 8 LYS NZ . . . . . . . . . c34215_6f7o 1 . 9 . 2012 . 1 1 8 LYS O O 5.102 11.872 8.236 . . . 1.0 . . . . . . . . . . . . A . 8 LYS O . . . . . . . . . c34215_6f7o 1 . 9 . 2013 . 1 1 9 LEU C C 5.941 9.780 6.115 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . c34215_6f7o 1 . 9 . 2014 . 1 1 9 LEU CA C 5.475 9.237 7.462 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . c34215_6f7o 1 . 9 . 2015 . 1 1 9 LEU CB C 5.334 7.716 7.392 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . c34215_6f7o 1 . 9 . 2016 . 1 1 9 LEU CD1 C 5.167 5.605 8.734 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . c34215_6f7o 1 . 9 . 2017 . 1 1 9 LEU CD2 C 7.387 6.711 8.416 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . c34215_6f7o 1 . 9 . 2018 . 1 1 9 LEU CG C 5.892 6.935 8.582 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . c34215_6f7o 1 . 9 . 2019 . 1 1 9 LEU H H 3.395 9.293 7.856 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . c34215_6f7o 1 . 9 . 2020 . 1 1 9 LEU HA H 6.208 9.488 8.213 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . c34215_6f7o 1 . 9 . 2021 . 1 1 9 LEU HB2 H 4.283 7.483 7.308 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . c34215_6f7o 1 . 9 . 2022 . 1 1 9 LEU HB3 H 5.848 7.378 6.502 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . c34215_6f7o 1 . 9 . 2023 . 1 1 9 LEU HD11 H 5.822 4.801 8.433 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . c34215_6f7o 1 . 9 . 2024 . 1 1 9 LEU HD12 H 4.285 5.602 8.112 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . c34215_6f7o 1 . 9 . 2025 . 1 1 9 LEU HD13 H 4.880 5.470 9.767 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . c34215_6f7o 1 . 9 . 2026 . 1 1 9 LEU HD21 H 7.559 5.922 7.699 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . c34215_6f7o 1 . 9 . 2027 . 1 1 9 LEU HD22 H 7.816 6.428 9.369 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . c34215_6f7o 1 . 9 . 2028 . 1 1 9 LEU HD23 H 7.853 7.622 8.070 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . c34215_6f7o 1 . 9 . 2029 . 1 1 9 LEU HG H 5.735 7.506 9.484 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . c34215_6f7o 1 . 9 . 2030 . 1 1 9 LEU N N 4.206 9.843 7.855 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . c34215_6f7o 1 . 9 . 2031 . 1 1 9 LEU O O 7.148 9.869 5.890 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . c34215_6f7o 1 . 9 . 2032 . 1 1 10 . C C 5.941 12.005 4.043 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 C . . . . . . . . . c34215_6f7o 1 . 9 . 2033 . 1 1 10 . CA C 5.325 10.612 3.811 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 CA . . . . . . . . . c34215_6f7o 1 . 9 . 2034 . 1 1 10 . CB C 4.018 10.822 2.971 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 CB . . . . . . . . . c34215_6f7o 1 . 9 . 2035 . 1 1 10 . CB1 C 6.287 9.699 2.995 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 CB1 . . . . . . . . . c34215_6f7o 1 . 9 . 2036 . 1 1 10 . CD C 2.016 9.826 1.712 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 CD . . . . . . . . . c34215_6f7o 1 . 9 . 2037 . 1 1 10 . CE C 1.525 8.688 0.838 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 CE . . . . . . . . . c34215_6f7o 1 . 9 . 2038 . 1 1 10 . CG C 3.436 9.564 2.265 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 CG . . . . . . . . . c34215_6f7o 1 . 9 . 2039 . 1 1 10 . HB H 3.250 11.255 3.605 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HB . . . . . . . . . c34215_6f7o 1 . 9 . 2040 . 1 1 10 . HB1 H 5.876 8.694 2.874 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HB1 . . . . . . . . . c34215_6f7o 1 . 9 . 2041 . 1 1 10 . HB1A H 6.476 10.114 2.002 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HB1A . . . . . . . . . c34215_6f7o 1 . 9 . 2042 . 1 1 10 . HB1B H 7.244 9.567 3.489 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HB1B . . . . . . . . . c34215_6f7o 1 . 9 . 2043 . 1 1 10 . HBA H 4.219 11.564 2.194 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HBA . . . . . . . . . c34215_6f7o 1 . 9 . 2044 . 1 1 10 . HD H 1.336 10.010 2.540 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HD . . . . . . . . . c34215_6f7o 1 . 9 . 2045 . 1 1 10 . HDA H 2.033 10.738 1.109 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HDA . . . . . . . . . c34215_6f7o 1 . 9 . 2046 . 1 1 10 . HE H 2.027 8.602 -0.121 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HE . . . . . . . . . c34215_6f7o 1 . 9 . 2047 . 1 1 10 . HG H 4.085 9.285 1.430 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HG . . . . . . . . . c34215_6f7o 1 . 9 . 2048 . 1 1 10 . HGA H 3.403 8.714 2.948 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HGA . . . . . . . . . c34215_6f7o 1 . 9 . 2049 . 1 1 10 . HN H 4.066 9.819 5.345 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HN . . . . . . . . . c34215_6f7o 1 . 9 . 2050 . 1 1 10 . N N 5.033 10.002 5.135 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 N . . . . . . . . . c34215_6f7o 1 . 9 . 2051 . 1 1 10 . O O 6.887 12.440 3.421 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 O . . . . . . . . . c34215_6f7o 1 . 9 . 2052 . 1 1 11 GLN C C 7.183 13.941 6.158 . . . 1.0 . . . . . . . . . . . . A . 11 GLN C . . . . . . . . . c34215_6f7o 1 . 9 . 2053 . 1 1 11 GLN CA C 5.820 14.046 5.484 . . . 1.0 . . . . . . . . . . . . A . 11 GLN CA . . . . . . . . . c34215_6f7o 1 . 9 . 2054 . 1 1 11 GLN CB C 4.805 14.655 6.451 . . . 1.0 . . . . . . . . . . . . A . 11 GLN CB . . . . . . . . . c34215_6f7o 1 . 9 . 2055 . 1 1 11 GLN CD C 4.034 16.334 4.729 . . . 1.0 . . . . . . . . . . . . A . 11 GLN CD . . . . . . . . . c34215_6f7o 1 . 9 . 2056 . 1 1 11 GLN CG C 4.484 16.112 6.158 . . . 1.0 . . . . . . . . . . . . A . 11 GLN CG . . . . . . . . . c34215_6f7o 1 . 9 . 2057 . 1 1 11 GLN H H 4.514 12.384 5.362 . . . 1.0 . . . . . . . . . . . . A . 11 GLN H . . . . . . . . . c34215_6f7o 1 . 9 . 2058 . 1 1 11 GLN HA H 5.909 14.684 4.617 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HA . . . . . . . . . c34215_6f7o 1 . 9 . 2059 . 1 1 11 GLN HB2 H 3.888 14.087 6.396 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HB2 . . . . . . . . . c34215_6f7o 1 . 9 . 2060 . 1 1 11 GLN HB3 H 5.199 14.590 7.456 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HB3 . . . . . . . . . c34215_6f7o 1 . 9 . 2061 . 1 1 11 GLN HE21 H 2.698 14.873 4.896 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HE21 . . . . . . . . . c34215_6f7o 1 . 9 . 2062 . 1 1 11 GLN HE22 H 2.751 15.667 3.363 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HE22 . . . . . . . . . c34215_6f7o 1 . 9 . 2063 . 1 1 11 GLN HG2 H 3.696 16.434 6.823 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HG2 . . . . . . . . . c34215_6f7o 1 . 9 . 2064 . 1 1 11 GLN HG3 H 5.370 16.703 6.338 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HG3 . . . . . . . . . c34215_6f7o 1 . 9 . 2065 . 1 1 11 GLN N N 5.364 12.737 5.028 . . . 1.0 . . . . . . . . . . . . A . 11 GLN N . . . . . . . . . c34215_6f7o 1 . 9 . 2066 . 1 1 11 GLN NE2 N 3.063 15.543 4.284 . . . 1.0 . . . . . . . . . . . . A . 11 GLN NE2 . . . . . . . . . c34215_6f7o 1 . 9 . 2067 . 1 1 11 GLN O O 7.924 14.921 6.242 . . . 1.0 . . . . . . . . . . . . A . 11 GLN O . . . . . . . . . c34215_6f7o 1 . 9 . 2068 . 1 1 11 GLN OE1 O 4.553 17.205 4.031 . . . 1.0 . . . . . . . . . . . . A . 11 GLN OE1 . . . . . . . . . c34215_6f7o 1 . 9 . 2069 . 1 1 12 ALA C C 9.913 12.342 6.290 . . . 1.0 . . . . . . . . . . . . A . 12 ALA C . . . . . . . . . c34215_6f7o 1 . 9 . 2070 . 1 1 12 ALA CA C 8.788 12.512 7.304 . . . 1.0 . . . . . . . . . . . . A . 12 ALA CA . . . . . . . . . c34215_6f7o 1 . 9 . 2071 . 1 1 12 ALA CB C 8.695 11.290 8.206 . . . 1.0 . . . . . . . . . . . . A . 12 ALA CB . . . . . . . . . c34215_6f7o 1 . 9 . 2072 . 1 1 12 ALA H H 6.881 12.003 6.542 . . . 1.0 . . . . . . . . . . . . A . 12 ALA H . . . . . . . . . c34215_6f7o 1 . 9 . 2073 . 1 1 12 ALA HA H 9.001 13.371 7.924 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HA . . . . . . . . . c34215_6f7o 1 . 9 . 2074 . 1 1 12 ALA HB1 H 9.250 11.475 9.116 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB1 . . . . . . . . . c34215_6f7o 1 . 9 . 2075 . 1 1 12 ALA HB2 H 7.662 11.097 8.446 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB2 . . . . . . . . . c34215_6f7o 1 . 9 . 2076 . 1 1 12 ALA HB3 H 9.115 10.435 7.696 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB3 . . . . . . . . . c34215_6f7o 1 . 9 . 2077 . 1 1 12 ALA N N 7.512 12.745 6.639 . . . 1.0 . . . . . . . . . . . . A . 12 ALA N . . . . . . . . . c34215_6f7o 1 . 9 . 2078 . 1 1 12 ALA O O 11.071 12.634 6.581 . . . 1.0 . . . . . . . . . . . . A . 12 ALA O . . . . . . . . . c34215_6f7o 1 . 9 . 2079 . 1 1 13 ALA C C 11.243 12.963 3.676 . . . 1.0 . . . . . . . . . . . . A . 13 ALA C . . . . . . . . . c34215_6f7o 1 . 9 . 2080 . 1 1 13 ALA CA C 10.543 11.659 4.043 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CA . . . . . . . . . c34215_6f7o 1 . 9 . 2081 . 1 1 13 ALA CB C 9.878 11.052 2.815 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CB . . . . . . . . . c34215_6f7o 1 . 9 . 2082 . 1 1 13 ALA H H 8.622 11.651 4.929 . . . 1.0 . . . . . . . . . . . . A . 13 ALA H . . . . . . . . . c34215_6f7o 1 . 9 . 2083 . 1 1 13 ALA HA H 11.281 10.955 4.404 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HA . . . . . . . . . c34215_6f7o 1 . 9 . 2084 . 1 1 13 ALA HB1 H 10.356 10.114 2.575 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB1 . . . . . . . . . c34215_6f7o 1 . 9 . 2085 . 1 1 13 ALA HB2 H 8.831 10.883 3.023 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB2 . . . . . . . . . c34215_6f7o 1 . 9 . 2086 . 1 1 13 ALA HB3 H 9.975 11.730 1.982 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB3 . . . . . . . . . c34215_6f7o 1 . 9 . 2087 . 1 1 13 ALA N N 9.563 11.865 5.099 . . . 1.0 . . . . . . . . . . . . A . 13 ALA N . . . . . . . . . c34215_6f7o 1 . 9 . 2088 . 1 1 13 ALA O O 10.695 13.787 2.943 . . . 1.0 . . . . . . . . . . . . A . 13 ALA O . . . . . . . . . c34215_6f7o 1 . 9 . 2089 . 1 1 14 ARG C C 13.479 14.511 2.422 . . . 1.0 . . . . . . . . . . . . A . 14 ARG C . . . . . . . . . c34215_6f7o 1 . 9 . 2090 . 1 1 14 ARG CA C 13.226 14.351 3.919 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CA . . . . . . . . . c34215_6f7o 1 . 9 . 2091 . 1 1 14 ARG CB C 14.561 14.307 4.668 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CB . . . . . . . . . c34215_6f7o 1 . 9 . 2092 . 1 1 14 ARG CD C 13.660 15.445 6.721 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CD . . . . . . . . . c34215_6f7o 1 . 9 . 2093 . 1 1 14 ARG CG C 14.408 14.234 6.179 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CG . . . . . . . . . c34215_6f7o 1 . 9 . 2094 . 1 1 14 ARG CZ C 15.398 17.172 6.933 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CZ . . . . . . . . . c34215_6f7o 1 . 9 . 2095 . 1 1 14 ARG H H 12.839 12.452 4.768 . . . 1.0 . . . . . . . . . . . . A . 14 ARG H . . . . . . . . . c34215_6f7o 1 . 9 . 2096 . 1 1 14 ARG HA H 12.655 15.197 4.268 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HA . . . . . . . . . c34215_6f7o 1 . 9 . 2097 . 1 1 14 ARG HB2 H 15.113 13.439 4.342 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB2 . . . . . . . . . c34215_6f7o 1 . 9 . 2098 . 1 1 14 ARG HB3 H 15.124 15.197 4.426 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB3 . . . . . . . . . c34215_6f7o 1 . 9 . 2099 . 1 1 14 ARG HD2 H 12.654 15.436 6.330 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD2 . . . . . . . . . c34215_6f7o 1 . 9 . 2100 . 1 1 14 ARG HD3 H 13.628 15.377 7.798 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD3 . . . . . . . . . c34215_6f7o 1 . 9 . 2101 . 1 1 14 ARG HE H 13.901 17.217 5.616 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HE . . . . . . . . . c34215_6f7o 1 . 9 . 2102 . 1 1 14 ARG HG2 H 13.857 13.341 6.434 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG2 . . . . . . . . . c34215_6f7o 1 . 9 . 2103 . 1 1 14 ARG HG3 H 15.389 14.198 6.629 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG3 . . . . . . . . . c34215_6f7o 1 . 9 . 2104 . 1 1 14 ARG HH11 H 16.791 16.851 8.361 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH11 . . . . . . . . . c34215_6f7o 1 . 9 . 2105 . 1 1 14 ARG HH12 H 15.573 15.629 8.223 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH12 . . . . . . . . . c34215_6f7o 1 . 9 . 2106 . 1 1 14 ARG HH21 H 16.747 18.677 6.975 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH21 . . . . . . . . . c34215_6f7o 1 . 9 . 2107 . 1 1 14 ARG HH22 H 15.498 18.835 5.788 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH22 . . . . . . . . . c34215_6f7o 1 . 9 . 2108 . 1 1 14 ARG N N 12.455 13.145 4.191 . . . 1.0 . . . . . . . . . . . . A . 14 ARG N . . . . . . . . . c34215_6f7o 1 . 9 . 2109 . 1 1 14 ARG NE N 14.305 16.700 6.344 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NE . . . . . . . . . c34215_6f7o 1 . 9 . 2110 . 1 1 14 ARG NH1 N 15.966 16.494 7.921 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH1 . . . . . . . . . c34215_6f7o 1 . 9 . 2111 . 1 1 14 ARG NH2 N 15.925 18.322 6.533 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH2 . . . . . . . . . c34215_6f7o 1 . 9 . 2112 . 1 1 14 ARG O O 13.387 13.528 1.689 . . . 1.0 . . . . . . . . . . . . A . 14 ARG O . . . . . . . . . c34215_6f7o 1 . 9 . 2113 . 1 1 15 NH2 HN1 H 13.838 16.484 2.665 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 HN1 . . . . . . . . . c34215_6f7o 1 . 9 . 2114 . 1 1 15 NH2 HN2 H 13.957 15.901 1.038 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 HN2 . . . . . . . . . c34215_6f7o 1 . 9 . 2115 . 1 1 15 NH2 N N 13.782 15.733 2.008 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 N . . . . . . . . . c34215_6f7o 1 . 10 . 2116 . 1 1 1 ACE C C -2.605 2.116 10.146 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . c34215_6f7o 1 . 10 . 2117 . 1 1 1 ACE CH3 C -1.459 1.280 10.603 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . c34215_6f7o 1 . 10 . 2118 . 1 1 1 ACE H1 H -1.828 0.474 11.237 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . c34215_6f7o 1 . 10 . 2119 . 1 1 1 ACE H2 H -0.952 0.854 9.736 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . c34215_6f7o 1 . 10 . 2120 . 1 1 1 ACE H3 H -0.760 1.895 11.167 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . c34215_6f7o 1 . 10 . 2121 . 1 1 1 ACE O O -3.443 1.697 9.346 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . c34215_6f7o 1 . 10 . 2122 . 1 1 2 ASP C C -3.381 5.005 9.014 . . . 1.0 . . . . . . . . . . . . A . 2 ASP C . . . . . . . . . c34215_6f7o 1 . 10 . 2123 . 1 1 2 ASP CA C -3.706 4.279 10.317 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CA . . . . . . . . . c34215_6f7o 1 . 10 . 2124 . 1 1 2 ASP CB C -3.909 5.293 11.444 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CB . . . . . . . . . c34215_6f7o 1 . 10 . 2125 . 1 1 2 ASP CG C -4.952 4.844 12.445 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CG . . . . . . . . . c34215_6f7o 1 . 10 . 2126 . 1 1 2 ASP H H -1.951 3.615 11.297 . . . 1.0 . . . . . . . . . . . . A . 2 ASP H . . . . . . . . . c34215_6f7o 1 . 10 . 2127 . 1 1 2 ASP HA H -4.618 3.718 10.182 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HA . . . . . . . . . c34215_6f7o 1 . 10 . 2128 . 1 1 2 ASP HB2 H -2.972 5.433 11.966 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HB2 . . . . . . . . . c34215_6f7o 1 . 10 . 2129 . 1 1 2 ASP HB3 H -4.223 6.237 11.020 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HB3 . . . . . . . . . c34215_6f7o 1 . 10 . 2130 . 1 1 2 ASP N N -2.648 3.338 10.664 . . . 1.0 . . . . . . . . . . . . A . 2 ASP N . . . . . . . . . c34215_6f7o 1 . 10 . 2131 . 1 1 2 ASP O O -2.233 5.059 8.575 . . . 1.0 . . . . . . . . . . . . A . 2 ASP O . . . . . . . . . c34215_6f7o 1 . 10 . 2132 . 1 1 2 ASP OD1 O -6.111 5.302 12.342 . . . 1.0 . . . . . . . . . . . . A . 2 ASP OD1 . . . . . . . . . c34215_6f7o 1 . 10 . 2133 . 1 1 2 ASP OD2 O -4.613 4.036 13.334 . . . 1.0 . . . . . . . . . . . . A . 2 ASP OD2 . . . . . . . . . c34215_6f7o 1 . 10 . 2134 . 1 1 3 PRO C C -3.520 7.630 7.301 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . c34215_6f7o 1 . 10 . 2135 . 1 1 3 PRO CA C -4.265 6.311 7.120 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . c34215_6f7o 1 . 10 . 2136 . 1 1 3 PRO CB C -5.710 6.569 6.687 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . c34215_6f7o 1 . 10 . 2137 . 1 1 3 PRO CD C -5.813 5.555 8.847 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . c34215_6f7o 1 . 10 . 2138 . 1 1 3 PRO CG C -6.496 6.551 7.951 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . c34215_6f7o 1 . 10 . 2139 . 1 1 3 PRO HA H -3.764 5.714 6.373 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . c34215_6f7o 1 . 10 . 2140 . 1 1 3 PRO HB2 H -5.775 7.530 6.195 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . c34215_6f7o 1 . 10 . 2141 . 1 1 3 PRO HB3 H -6.032 5.789 6.010 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . c34215_6f7o 1 . 10 . 2142 . 1 1 3 PRO HD2 H -5.880 5.868 9.879 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . c34215_6f7o 1 . 10 . 2143 . 1 1 3 PRO HD3 H -6.245 4.573 8.722 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . c34215_6f7o 1 . 10 . 2144 . 1 1 3 PRO HG2 H -6.488 7.529 8.403 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . c34215_6f7o 1 . 10 . 2145 . 1 1 3 PRO HG3 H -7.511 6.236 7.749 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . c34215_6f7o 1 . 10 . 2146 . 1 1 3 PRO N N -4.417 5.578 8.382 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . c34215_6f7o 1 . 10 . 2147 . 1 1 3 PRO O O -2.647 7.970 6.506 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . c34215_6f7o 1 . 10 . 2148 . 1 1 4 GLN C C -1.741 9.469 8.867 . . . 1.0 . . . . . . . . . . . . A . 4 GLN C . . . . . . . . . c34215_6f7o 1 . 10 . 2149 . 1 1 4 GLN CA C -3.238 9.645 8.634 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CA . . . . . . . . . c34215_6f7o 1 . 10 . 2150 . 1 1 4 GLN CB C -3.882 10.299 9.858 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CB . . . . . . . . . c34215_6f7o 1 . 10 . 2151 . 1 1 4 GLN CD C -5.259 9.101 11.606 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CD . . . . . . . . . c34215_6f7o 1 . 10 . 2152 . 1 1 4 GLN CG C -3.866 9.418 11.097 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CG . . . . . . . . . c34215_6f7o 1 . 10 . 2153 . 1 1 4 GLN H H -4.578 8.037 8.947 . . . 1.0 . . . . . . . . . . . . A . 4 GLN H . . . . . . . . . c34215_6f7o 1 . 10 . 2154 . 1 1 4 GLN HA H -3.383 10.283 7.778 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HA . . . . . . . . . c34215_6f7o 1 . 10 . 2155 . 1 1 4 GLN HB2 H -3.353 11.211 10.084 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HB2 . . . . . . . . . c34215_6f7o 1 . 10 . 2156 . 1 1 4 GLN HB3 H -4.910 10.535 9.625 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HB3 . . . . . . . . . c34215_6f7o 1 . 10 . 2157 . 1 1 4 GLN HE21 H -4.626 9.223 13.487 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HE21 . . . . . . . . . c34215_6f7o 1 . 10 . 2158 . 1 1 4 GLN HE22 H -6.301 8.853 13.280 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HE22 . . . . . . . . . c34215_6f7o 1 . 10 . 2159 . 1 1 4 GLN HG2 H -3.369 8.490 10.858 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HG2 . . . . . . . . . c34215_6f7o 1 . 10 . 2160 . 1 1 4 GLN HG3 H -3.321 9.927 11.877 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HG3 . . . . . . . . . c34215_6f7o 1 . 10 . 2161 . 1 1 4 GLN N N -3.875 8.364 8.351 . . . 1.0 . . . . . . . . . . . . A . 4 GLN N . . . . . . . . . c34215_6f7o 1 . 10 . 2162 . 1 1 4 GLN NE2 N -5.412 9.053 12.924 . . . 1.0 . . . . . . . . . . . . A . 4 GLN NE2 . . . . . . . . . c34215_6f7o 1 . 10 . 2163 . 1 1 4 GLN O O -0.952 10.381 8.615 . . . 1.0 . . . . . . . . . . . . A . 4 GLN O . . . . . . . . . c34215_6f7o 1 . 10 . 2164 . 1 1 4 GLN OE1 O -6.190 8.902 10.822 . . . 1.0 . . . . . . . . . . . . A . 4 GLN OE1 . . . . . . . . . c34215_6f7o 1 . 10 . 2165 . 1 1 5 HIS C C 0.824 7.824 8.312 . . . 1.0 . . . . . . . . . . . . A . 5 HIS C . . . . . . . . . c34215_6f7o 1 . 10 . 2166 . 1 1 5 HIS CA C 0.048 7.997 9.613 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CA . . . . . . . . . c34215_6f7o 1 . 10 . 2167 . 1 1 5 HIS CB C 0.174 6.734 10.465 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CB . . . . . . . . . c34215_6f7o 1 . 10 . 2168 . 1 1 5 HIS CD2 C 1.548 6.298 12.621 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CD2 . . . . . . . . . c34215_6f7o 1 . 10 . 2169 . 1 1 5 HIS CE1 C 3.485 7.052 11.924 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CE1 . . . . . . . . . c34215_6f7o 1 . 10 . 2170 . 1 1 5 HIS CG C 1.386 6.722 11.347 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CG . . . . . . . . . c34215_6f7o 1 . 10 . 2171 . 1 1 5 HIS H H -2.030 7.605 9.529 . . . 1.0 . . . . . . . . . . . . A . 5 HIS H . . . . . . . . . c34215_6f7o 1 . 10 . 2172 . 1 1 5 HIS HA H 0.464 8.830 10.158 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HA . . . . . . . . . c34215_6f7o 1 . 10 . 2173 . 1 1 5 HIS HB2 H -0.697 6.646 11.097 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB2 . . . . . . . . . c34215_6f7o 1 . 10 . 2174 . 1 1 5 HIS HB3 H 0.228 5.872 9.815 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB3 . . . . . . . . . c34215_6f7o 1 . 10 . 2175 . 1 1 5 HIS HD1 H 2.822 7.565 10.058 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD1 . . . . . . . . . c34215_6f7o 1 . 10 . 2176 . 1 1 5 HIS HD2 H 0.786 5.871 13.258 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD2 . . . . . . . . . c34215_6f7o 1 . 10 . 2177 . 1 1 5 HIS HE1 H 4.527 7.332 11.893 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HE1 . . . . . . . . . c34215_6f7o 1 . 10 . 2178 . 1 1 5 HIS N N -1.355 8.291 9.348 . . . 1.0 . . . . . . . . . . . . A . 5 HIS N . . . . . . . . . c34215_6f7o 1 . 10 . 2179 . 1 1 5 HIS ND1 N 2.616 7.189 10.939 . . . 1.0 . . . . . . . . . . . . A . 5 HIS ND1 . . . . . . . . . c34215_6f7o 1 . 10 . 2180 . 1 1 5 HIS NE2 N 2.861 6.514 12.957 . . . 1.0 . . . . . . . . . . . . A . 5 HIS NE2 . . . . . . . . . c34215_6f7o 1 . 10 . 2181 . 1 1 5 HIS O O 2.038 8.021 8.303 . . . 1.0 . . . . . . . . . . . . A . 5 HIS O . . . . . . . . . c34215_6f7o 1 . 10 . 2182 . 1 1 6 . C C 1.349 8.559 5.518 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 C . . . . . . . . . c34215_6f7o 1 . 10 . 2183 . 1 1 6 . CA C 0.804 7.179 5.890 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 CA . . . . . . . . . c34215_6f7o 1 . 10 . 2184 . 1 1 6 . CB C -0.226 6.770 4.789 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 CB . . . . . . . . . c34215_6f7o 1 . 10 . 2185 . 1 1 6 . CB1 C 1.898 6.066 5.944 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 CB1 . . . . . . . . . c34215_6f7o 1 . 10 . 2186 . 1 1 6 . CD C -0.210 7.667 2.360 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 CD . . . . . . . . . c34215_6f7o 1 . 10 . 2187 . 1 1 6 . CE C 0.637 7.717 1.106 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 CE . . . . . . . . . c34215_6f7o 1 . 10 . 2188 . 1 1 6 . CG C 0.394 6.664 3.363 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 CG . . . . . . . . . c34215_6f7o 1 . 10 . 2189 . 1 1 6 . HB H -0.682 5.812 5.053 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HB . . . . . . . . . c34215_6f7o 1 . 10 . 2190 . 1 1 6 . HB1 H 1.436 5.082 6.045 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HB1 . . . . . . . . . c34215_6f7o 1 . 10 . 2191 . 1 1 6 . HB1A H 2.528 6.047 5.054 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HB1A . . . . . . . . . c34215_6f7o 1 . 10 . 2192 . 1 1 6 . HB1B H 2.564 6.184 6.791 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HB1B . . . . . . . . . c34215_6f7o 1 . 10 . 2193 . 1 1 6 . HBA H -1.041 7.491 4.754 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HBA . . . . . . . . . c34215_6f7o 1 . 10 . 2194 . 1 1 6 . HD H -1.226 7.357 2.105 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HD . . . . . . . . . c34215_6f7o 1 . 10 . 2195 . 1 1 6 . HDA H -0.294 8.653 2.819 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HDA . . . . . . . . . c34215_6f7o 1 . 10 . 2196 . 1 1 6 . HE H 0.413 6.952 0.371 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HE . . . . . . . . . c34215_6f7o 1 . 10 . 2197 . 1 1 6 . HG H 1.468 6.846 3.383 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HG . . . . . . . . . c34215_6f7o 1 . 10 . 2198 . 1 1 6 . HGA H 0.260 5.648 2.984 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HGA . . . . . . . . . c34215_6f7o 1 . 10 . 2199 . 1 1 6 . HN H -0.795 7.066 7.313 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HN . . . . . . . . . c34215_6f7o 1 . 10 . 2200 . 1 1 6 . N N 0.184 7.306 7.229 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 N . . . . . . . . . c34215_6f7o 1 . 10 . 2201 . 1 1 6 . O O 2.511 8.764 5.251 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 O . . . . . . . . . c34215_6f7o 1 . 10 . 2202 . 1 1 7 ARG C C 1.871 11.489 6.307 . . . 1.0 . . . . . . . . . . . . A . 7 ARG C . . . . . . . . . c34215_6f7o 1 . 10 . 2203 . 1 1 7 ARG CA C 0.764 10.984 5.387 . . . 1.0 . . . . . . . . . . . . A . 7 ARG CA . . . . . . . . . c34215_6f7o 1 . 10 . 2204 . 1 1 7 ARG CB C -0.492 11.839 5.569 . . . 1.0 . . . . . . . . . . . . A . 7 ARG CB . . . . . . . . . c34215_6f7o 1 . 10 . 2205 . 1 1 7 ARG CD C -1.672 14.005 5.088 . . . 1.0 . . . . . . . . . . . . A . 7 ARG CD . . . . . . . . . c34215_6f7o 1 . 10 . 2206 . 1 1 7 ARG CG C -0.354 13.250 5.018 . . . 1.0 . . . . . . . . . . . . A . 7 ARG CG . . . . . . . . . c34215_6f7o 1 . 10 . 2207 . 1 1 7 ARG CZ C -1.282 16.123 3.901 . . . 1.0 . . . . . . . . . . . . A . 7 ARG CZ . . . . . . . . . c34215_6f7o 1 . 10 . 2208 . 1 1 7 ARG H H -0.445 9.329 5.910 . . . 1.0 . . . . . . . . . . . . A . 7 ARG H . . . . . . . . . c34215_6f7o 1 . 10 . 2209 . 1 1 7 ARG HA H 1.098 11.065 4.363 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HA . . . . . . . . . c34215_6f7o 1 . 10 . 2210 . 1 1 7 ARG HB2 H -1.317 11.357 5.064 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HB2 . . . . . . . . . c34215_6f7o 1 . 10 . 2211 . 1 1 7 ARG HB3 H -0.715 11.908 6.622 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HB3 . . . . . . . . . c34215_6f7o 1 . 10 . 2212 . 1 1 7 ARG HD2 H -2.289 13.703 4.255 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HD2 . . . . . . . . . c34215_6f7o 1 . 10 . 2213 . 1 1 7 ARG HD3 H -2.168 13.754 6.012 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HD3 . . . . . . . . . c34215_6f7o 1 . 10 . 2214 . 1 1 7 ARG HE H -1.493 15.944 5.876 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HE . . . . . . . . . c34215_6f7o 1 . 10 . 2215 . 1 1 7 ARG HG2 H 0.385 13.782 5.596 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HG2 . . . . . . . . . c34215_6f7o 1 . 10 . 2216 . 1 1 7 ARG HG3 H -0.035 13.193 3.988 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HG3 . . . . . . . . . c34215_6f7o 1 . 10 . 2217 . 1 1 7 ARG HH11 H -1.109 15.989 1.892 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HH11 . . . . . . . . . c34215_6f7o 1 . 10 . 2218 . 1 1 7 ARG HH12 H -1.386 14.491 2.716 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HH12 . . . . . . . . . c34215_6f7o 1 . 10 . 2219 . 1 1 7 ARG HH21 H -0.965 17.942 3.080 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HH21 . . . . . . . . . c34215_6f7o 1 . 10 . 2220 . 1 1 7 ARG HH22 H -1.131 17.925 4.803 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HH22 . . . . . . . . . c34215_6f7o 1 . 10 . 2221 . 1 1 7 ARG N N 0.466 9.583 5.652 . . . 1.0 . . . . . . . . . . . . A . 7 ARG N . . . . . . . . . c34215_6f7o 1 . 10 . 2222 . 1 1 7 ARG NE N -1.477 15.451 5.029 . . . 1.0 . . . . . . . . . . . . A . 7 ARG NE . . . . . . . . . c34215_6f7o 1 . 10 . 2223 . 1 1 7 ARG NH1 N -1.257 15.481 2.741 . . . 1.0 . . . . . . . . . . . . A . 7 ARG NH1 . . . . . . . . . c34215_6f7o 1 . 10 . 2224 . 1 1 7 ARG NH2 N -1.113 17.438 3.931 . . . 1.0 . . . . . . . . . . . . A . 7 ARG NH2 . . . . . . . . . c34215_6f7o 1 . 10 . 2225 . 1 1 7 ARG O O 2.821 12.133 5.861 . . . 1.0 . . . . . . . . . . . . A . 7 ARG O . . . . . . . . . c34215_6f7o 1 . 10 . 2226 . 1 1 8 LYS C C 4.125 11.110 8.201 . . . 1.0 . . . . . . . . . . . . A . 8 LYS C . . . . . . . . . c34215_6f7o 1 . 10 . 2227 . 1 1 8 LYS CA C 2.734 11.609 8.581 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CA . . . . . . . . . c34215_6f7o 1 . 10 . 2228 . 1 1 8 LYS CB C 2.354 11.089 9.970 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CB . . . . . . . . . c34215_6f7o 1 . 10 . 2229 . 1 1 8 LYS CD C 4.101 12.472 11.128 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CD . . . . . . . . . c34215_6f7o 1 . 10 . 2230 . 1 1 8 LYS CE C 3.116 13.418 11.794 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CE . . . . . . . . . c34215_6f7o 1 . 10 . 2231 . 1 1 8 LYS CG C 3.510 11.086 10.954 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CG . . . . . . . . . c34215_6f7o 1 . 10 . 2232 . 1 1 8 LYS H H 0.965 10.673 7.891 . . . 1.0 . . . . . . . . . . . . A . 8 LYS H . . . . . . . . . c34215_6f7o 1 . 10 . 2233 . 1 1 8 LYS HA H 2.745 12.689 8.600 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HA . . . . . . . . . c34215_6f7o 1 . 10 . 2234 . 1 1 8 LYS HB2 H 1.570 11.714 10.372 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB2 . . . . . . . . . c34215_6f7o 1 . 10 . 2235 . 1 1 8 LYS HB3 H 1.986 10.078 9.872 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB3 . . . . . . . . . c34215_6f7o 1 . 10 . 2236 . 1 1 8 LYS HD2 H 4.988 12.404 11.741 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD2 . . . . . . . . . c34215_6f7o 1 . 10 . 2237 . 1 1 8 LYS HD3 H 4.364 12.867 10.155 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD3 . . . . . . . . . c34215_6f7o 1 . 10 . 2238 . 1 1 8 LYS HE2 H 2.593 13.973 11.029 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE2 . . . . . . . . . c34215_6f7o 1 . 10 . 2239 . 1 1 8 LYS HE3 H 2.407 12.835 12.363 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE3 . . . . . . . . . c34215_6f7o 1 . 10 . 2240 . 1 1 8 LYS HG2 H 3.156 10.733 11.912 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG2 . . . . . . . . . c34215_6f7o 1 . 10 . 2241 . 1 1 8 LYS HG3 H 4.279 10.419 10.587 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG3 . . . . . . . . . c34215_6f7o 1 . 10 . 2242 . 1 1 8 LYS HZ1 H 3.471 14.234 13.685 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ1 . . . . . . . . . c34215_6f7o 1 . 10 . 2243 . 1 1 8 LYS HZ2 H 3.583 15.355 12.423 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ2 . . . . . . . . . c34215_6f7o 1 . 10 . 2244 . 1 1 8 LYS HZ3 H 4.827 14.236 12.671 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ3 . . . . . . . . . c34215_6f7o 1 . 10 . 2245 . 1 1 8 LYS N N 1.745 11.189 7.596 . . . 1.0 . . . . . . . . . . . . A . 8 LYS N . . . . . . . . . c34215_6f7o 1 . 10 . 2246 . 1 1 8 LYS NZ N 3.798 14.377 12.706 . . . 1.0 . . . . . . . . . . . . A . 8 LYS NZ . . . . . . . . . c34215_6f7o 1 . 10 . 2247 . 1 1 8 LYS O O 5.096 11.868 8.224 . . . 1.0 . . . . . . . . . . . . A . 8 LYS O . . . . . . . . . c34215_6f7o 1 . 10 . 2248 . 1 1 9 LEU C C 5.959 9.772 6.123 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . c34215_6f7o 1 . 10 . 2249 . 1 1 9 LEU CA C 5.487 9.231 7.468 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . c34215_6f7o 1 . 10 . 2250 . 1 1 9 LEU CB C 5.355 7.709 7.401 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . c34215_6f7o 1 . 10 . 2251 . 1 1 9 LEU CD1 C 5.147 5.615 8.762 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . c34215_6f7o 1 . 10 . 2252 . 1 1 9 LEU CD2 C 7.385 6.691 8.461 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . c34215_6f7o 1 . 10 . 2253 . 1 1 9 LEU CG C 5.889 6.933 8.604 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . c34215_6f7o 1 . 10 . 2254 . 1 1 9 LEU H H 3.407 9.278 7.856 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . c34215_6f7o 1 . 10 . 2255 . 1 1 9 LEU HA H 6.215 9.487 8.223 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . c34215_6f7o 1 . 10 . 2256 . 1 1 9 LEU HB2 H 4.307 7.472 7.293 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . c34215_6f7o 1 . 10 . 2257 . 1 1 9 LEU HB3 H 5.888 7.370 6.523 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . c34215_6f7o 1 . 10 . 2258 . 1 1 9 LEU HD11 H 5.667 4.841 8.221 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . c34215_6f7o 1 . 10 . 2259 . 1 1 9 LEU HD12 H 4.145 5.717 8.374 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . c34215_6f7o 1 . 10 . 2260 . 1 1 9 LEU HD13 H 5.102 5.351 9.809 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . c34215_6f7o 1 . 10 . 2261 . 1 1 9 LEU HD21 H 7.594 6.307 7.474 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . c34215_6f7o 1 . 10 . 2262 . 1 1 9 LEU HD22 H 7.705 5.972 9.201 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . c34215_6f7o 1 . 10 . 2263 . 1 1 9 LEU HD23 H 7.916 7.620 8.606 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . c34215_6f7o 1 . 10 . 2264 . 1 1 9 LEU HG H 5.729 7.516 9.500 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . c34215_6f7o 1 . 10 . 2265 . 1 1 9 LEU N N 4.214 9.831 7.855 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . c34215_6f7o 1 . 10 . 2266 . 1 1 9 LEU O O 7.166 9.874 5.905 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . c34215_6f7o 1 . 10 . 2267 . 1 1 10 . C C 5.952 12.014 4.036 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 C . . . . . . . . . c34215_6f7o 1 . 10 . 2268 . 1 1 10 . CA C 5.369 10.609 3.805 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 CA . . . . . . . . . c34215_6f7o 1 . 10 . 2269 . 1 1 10 . CB C 4.065 10.780 2.960 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 CB . . . . . . . . . c34215_6f7o 1 . 10 . 2270 . 1 1 10 . CB1 C 6.376 9.752 2.994 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 CB1 . . . . . . . . . c34215_6f7o 1 . 10 . 2271 . 1 1 10 . CD C 2.099 9.734 1.705 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 CD . . . . . . . . . c34215_6f7o 1 . 10 . 2272 . 1 1 10 . CE C 1.625 8.585 0.838 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 CE . . . . . . . . . c34215_6f7o 1 . 10 . 2273 . 1 1 10 . CG C 3.522 9.503 2.262 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 CG . . . . . . . . . c34215_6f7o 1 . 10 . 2274 . 1 1 10 . HB H 3.283 11.196 3.593 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HB . . . . . . . . . c34215_6f7o 1 . 10 . 2275 . 1 1 10 . HB1 H 6.471 10.123 1.968 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HB1 . . . . . . . . . c34215_6f7o 1 . 10 . 2276 . 1 1 10 . HB1A H 7.363 9.792 3.439 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HB1A . . . . . . . . . c34215_6f7o 1 . 10 . 2277 . 1 1 10 . HB1B H 6.072 8.703 2.957 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HB1B . . . . . . . . . c34215_6f7o 1 . 10 . 2278 . 1 1 10 . HBA H 4.249 11.522 2.178 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HBA . . . . . . . . . c34215_6f7o 1 . 10 . 2279 . 1 1 10 . HD H 1.418 9.913 2.534 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HD . . . . . . . . . c34215_6f7o 1 . 10 . 2280 . 1 1 10 . HDA H 2.104 10.641 1.097 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HDA . . . . . . . . . c34215_6f7o 1 . 10 . 2281 . 1 1 10 . HE H 2.152 8.480 -0.106 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HE . . . . . . . . . c34215_6f7o 1 . 10 . 2282 . 1 1 10 . HG H 4.182 9.233 1.433 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HG . . . . . . . . . c34215_6f7o 1 . 10 . 2283 . 1 1 10 . HGA H 3.512 8.654 2.950 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HGA . . . . . . . . . c34215_6f7o 1 . 10 . 2284 . 1 1 10 . HN H 4.097 9.792 5.322 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HN . . . . . . . . . c34215_6f7o 1 . 10 . 2285 . 1 1 10 . N N 5.065 9.987 5.128 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 N . . . . . . . . . c34215_6f7o 1 . 10 . 2286 . 1 1 10 . O O 6.878 12.483 3.406 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 O . . . . . . . . . c34215_6f7o 1 . 10 . 2287 . 1 1 11 GLN C C 7.162 13.945 6.166 . . . 1.0 . . . . . . . . . . . . A . 11 GLN C . . . . . . . . . c34215_6f7o 1 . 10 . 2288 . 1 1 11 GLN CA C 5.804 14.034 5.481 . . . 1.0 . . . . . . . . . . . . A . 11 GLN CA . . . . . . . . . c34215_6f7o 1 . 10 . 2289 . 1 1 11 GLN CB C 4.774 14.636 6.439 . . . 1.0 . . . . . . . . . . . . A . 11 GLN CB . . . . . . . . . c34215_6f7o 1 . 10 . 2290 . 1 1 11 GLN CD C 4.549 16.821 7.687 . . . 1.0 . . . . . . . . . . . . A . 11 GLN CD . . . . . . . . . c34215_6f7o 1 . 10 . 2291 . 1 1 11 GLN CG C 4.657 16.148 6.334 . . . 1.0 . . . . . . . . . . . . A . 11 GLN CG . . . . . . . . . c34215_6f7o 1 . 10 . 2292 . 1 1 11 GLN H H 4.514 12.359 5.357 . . . 1.0 . . . . . . . . . . . . A . 11 GLN H . . . . . . . . . c34215_6f7o 1 . 10 . 2293 . 1 1 11 GLN HA H 5.891 14.672 4.614 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HA . . . . . . . . . c34215_6f7o 1 . 10 . 2294 . 1 1 11 GLN HB2 H 3.807 14.206 6.229 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HB2 . . . . . . . . . c34215_6f7o 1 . 10 . 2295 . 1 1 11 GLN HB3 H 5.058 14.389 7.452 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HB3 . . . . . . . . . c34215_6f7o 1 . 10 . 2296 . 1 1 11 GLN HE21 H 2.566 16.701 7.617 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HE21 . . . . . . . . . c34215_6f7o 1 . 10 . 2297 . 1 1 11 GLN HE22 H 3.220 17.438 9.034 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HE22 . . . . . . . . . c34215_6f7o 1 . 10 . 2298 . 1 1 11 GLN HG2 H 5.532 16.530 5.830 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HG2 . . . . . . . . . c34215_6f7o 1 . 10 . 2299 . 1 1 11 GLN HG3 H 3.776 16.388 5.758 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HG3 . . . . . . . . . c34215_6f7o 1 . 10 . 2300 . 1 1 11 GLN N N 5.360 12.720 5.026 . . . 1.0 . . . . . . . . . . . . A . 11 GLN N . . . . . . . . . c34215_6f7o 1 . 10 . 2301 . 1 1 11 GLN NE2 N 3.321 17.007 8.161 . . . 1.0 . . . . . . . . . . . . A . 11 GLN NE2 . . . . . . . . . c34215_6f7o 1 . 10 . 2302 . 1 1 11 GLN O O 7.891 14.934 6.253 . . . 1.0 . . . . . . . . . . . . A . 11 GLN O . . . . . . . . . c34215_6f7o 1 . 10 . 2303 . 1 1 11 GLN OE1 O 5.556 17.172 8.304 . . . 1.0 . . . . . . . . . . . . A . 11 GLN OE1 . . . . . . . . . c34215_6f7o 1 . 10 . 2304 . 1 1 12 ALA C C 9.881 12.236 6.320 . . . 1.0 . . . . . . . . . . . . A . 12 ALA C . . . . . . . . . c34215_6f7o 1 . 10 . 2305 . 1 1 12 ALA CA C 8.774 12.535 7.323 . . . 1.0 . . . . . . . . . . . . A . 12 ALA CA . . . . . . . . . c34215_6f7o 1 . 10 . 2306 . 1 1 12 ALA CB C 8.648 11.400 8.330 . . . 1.0 . . . . . . . . . . . . A . 12 ALA CB . . . . . . . . . c34215_6f7o 1 . 10 . 2307 . 1 1 12 ALA H H 6.877 12.003 6.547 . . . 1.0 . . . . . . . . . . . . A . 12 ALA H . . . . . . . . . c34215_6f7o 1 . 10 . 2308 . 1 1 12 ALA HA H 9.025 13.437 7.864 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HA . . . . . . . . . c34215_6f7o 1 . 10 . 2309 . 1 1 12 ALA HB1 H 8.598 10.459 7.805 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB1 . . . . . . . . . c34215_6f7o 1 . 10 . 2310 . 1 1 12 ALA HB2 H 9.509 11.405 8.984 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB2 . . . . . . . . . c34215_6f7o 1 . 10 . 2311 . 1 1 12 ALA HB3 H 7.751 11.535 8.915 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB3 . . . . . . . . . c34215_6f7o 1 . 10 . 2312 . 1 1 12 ALA N N 7.499 12.754 6.648 . . . 1.0 . . . . . . . . . . . . A . 12 ALA N . . . . . . . . . c34215_6f7o 1 . 10 . 2313 . 1 1 12 ALA O O 10.999 12.734 6.447 . . . 1.0 . . . . . . . . . . . . A . 12 ALA O . . . . . . . . . c34215_6f7o 1 . 10 . 2314 . 1 1 13 ALA C C 10.358 11.905 3.047 . . . 1.0 . . . . . . . . . . . . A . 13 ALA C . . . . . . . . . c34215_6f7o 1 . 10 . 2315 . 1 1 13 ALA CA C 10.533 11.050 4.298 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CA . . . . . . . . . c34215_6f7o 1 . 10 . 2316 . 1 1 13 ALA CB C 10.405 9.573 3.952 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CB . . . . . . . . . c34215_6f7o 1 . 10 . 2317 . 1 1 13 ALA H H 8.657 11.049 5.276 . . . 1.0 . . . . . . . . . . . . A . 13 ALA H . . . . . . . . . c34215_6f7o 1 . 10 . 2318 . 1 1 13 ALA HA H 11.523 11.216 4.699 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HA . . . . . . . . . c34215_6f7o 1 . 10 . 2319 . 1 1 13 ALA HB1 H 10.506 8.983 4.851 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB1 . . . . . . . . . c34215_6f7o 1 . 10 . 2320 . 1 1 13 ALA HB2 H 9.439 9.392 3.508 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB2 . . . . . . . . . c34215_6f7o 1 . 10 . 2321 . 1 1 13 ALA HB3 H 11.182 9.300 3.252 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB3 . . . . . . . . . c34215_6f7o 1 . 10 . 2322 . 1 1 13 ALA N N 9.564 11.415 5.324 . . . 1.0 . . . . . . . . . . . . A . 13 ALA N . . . . . . . . . c34215_6f7o 1 . 10 . 2323 . 1 1 13 ALA O O 9.647 11.522 2.118 . . . 1.0 . . . . . . . . . . . . A . 13 ALA O . . . . . . . . . c34215_6f7o 1 . 10 . 2324 . 1 1 14 ARG C C 12.314 14.324 1.372 . . . 1.0 . . . . . . . . . . . . A . 14 ARG C . . . . . . . . . c34215_6f7o 1 . 10 . 2325 . 1 1 14 ARG CA C 10.924 13.974 1.894 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CA . . . . . . . . . c34215_6f7o 1 . 10 . 2326 . 1 1 14 ARG CB C 10.180 15.249 2.292 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CB . . . . . . . . . c34215_6f7o 1 . 10 . 2327 . 1 1 14 ARG CD C 8.418 16.947 1.722 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CD . . . . . . . . . c34215_6f7o 1 . 10 . 2328 . 1 1 14 ARG CG C 9.085 15.644 1.315 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CG . . . . . . . . . c34215_6f7o 1 . 10 . 2329 . 1 1 14 ARG CZ C 8.888 19.360 1.655 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CZ . . . . . . . . . c34215_6f7o 1 . 10 . 2330 . 1 1 14 ARG H H 11.562 13.313 3.802 . . . 1.0 . . . . . . . . . . . . A . 14 ARG H . . . . . . . . . c34215_6f7o 1 . 10 . 2331 . 1 1 14 ARG HA H 10.373 13.474 1.111 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HA . . . . . . . . . c34215_6f7o 1 . 10 . 2332 . 1 1 14 ARG HB2 H 9.730 15.102 3.262 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB2 . . . . . . . . . c34215_6f7o 1 . 10 . 2333 . 1 1 14 ARG HB3 H 10.889 16.061 2.352 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB3 . . . . . . . . . c34215_6f7o 1 . 10 . 2334 . 1 1 14 ARG HD2 H 7.447 17.003 1.253 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD2 . . . . . . . . . c34215_6f7o 1 . 10 . 2335 . 1 1 14 ARG HD3 H 8.298 16.955 2.795 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD3 . . . . . . . . . c34215_6f7o 1 . 10 . 2336 . 1 1 14 ARG HE H 10.005 17.956 0.784 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HE . . . . . . . . . c34215_6f7o 1 . 10 . 2337 . 1 1 14 ARG HG2 H 9.519 15.766 0.331 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG2 . . . . . . . . . c34215_6f7o 1 . 10 . 2338 . 1 1 14 ARG HG3 H 8.341 14.861 1.286 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG3 . . . . . . . . . c34215_6f7o 1 . 10 . 2339 . 1 1 14 ARG HH11 H 7.572 20.544 2.634 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH11 . . . . . . . . . c34215_6f7o 1 . 10 . 2340 . 1 1 14 ARG HH12 H 7.230 18.845 2.689 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH12 . . . . . . . . . c34215_6f7o 1 . 10 . 2341 . 1 1 14 ARG HH21 H 9.414 21.305 1.504 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH21 . . . . . . . . . c34215_6f7o 1 . 10 . 2342 . 1 1 14 ARG HH22 H 10.467 20.189 0.705 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH22 . . . . . . . . . c34215_6f7o 1 . 10 . 2343 . 1 1 14 ARG N N 11.010 13.063 3.031 . . . 1.0 . . . . . . . . . . . . A . 14 ARG N . . . . . . . . . c34215_6f7o 1 . 10 . 2344 . 1 1 14 ARG NE N 9.204 18.112 1.325 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NE . . . . . . . . . c34215_6f7o 1 . 10 . 2345 . 1 1 14 ARG NH1 N 7.808 19.602 2.384 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH1 . . . . . . . . . c34215_6f7o 1 . 10 . 2346 . 1 1 14 ARG NH2 N 9.652 20.367 1.255 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH2 . . . . . . . . . c34215_6f7o 1 . 10 . 2347 . 1 1 14 ARG O O 13.008 15.126 1.995 . . . 1.0 . . . . . . . . . . . . A . 14 ARG O . . . . . . . . . c34215_6f7o 1 . 10 . 2348 . 1 1 15 NH2 HN1 H 12.071 13.075 -0.198 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 HN1 . . . . . . . . . c34215_6f7o 1 . 10 . 2349 . 1 1 15 NH2 HN2 H 13.588 13.907 -0.138 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 HN2 . . . . . . . . . c34215_6f7o 1 . 10 . 2350 . 1 1 15 NH2 N N 12.688 13.719 0.253 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 N . . . . . . . . . c34215_6f7o 1 . 11 . 2351 . 1 1 1 ACE C C -3.241 1.255 9.057 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . c34215_6f7o 1 . 11 . 2352 . 1 1 1 ACE CH3 C -2.045 0.382 8.907 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . c34215_6f7o 1 . 11 . 2353 . 1 1 1 ACE H1 H -2.135 -0.205 7.992 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . c34215_6f7o 1 . 11 . 2354 . 1 1 1 ACE H2 H -1.148 1.001 8.853 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . c34215_6f7o 1 . 11 . 2355 . 1 1 1 ACE H3 H -1.973 -0.289 9.763 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . c34215_6f7o 1 . 11 . 2356 . 1 1 1 ACE O O -4.303 1.014 8.481 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . c34215_6f7o 1 . 11 . 2357 . 1 1 2 ASP C C -3.913 4.560 9.344 . . . 1.0 . . . . . . . . . . . . A . 2 ASP C . . . . . . . . . c34215_6f7o 1 . 11 . 2358 . 1 1 2 ASP CA C -4.152 3.257 10.102 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CA . . . . . . . . . c34215_6f7o 1 . 11 . 2359 . 1 1 2 ASP CB C -4.275 3.540 11.600 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CB . . . . . . . . . c34215_6f7o 1 . 11 . 2360 . 1 1 2 ASP CG C -5.197 2.561 12.299 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CG . . . . . . . . . c34215_6f7o 1 . 11 . 2361 . 1 1 2 ASP H H -2.204 2.445 10.283 . . . 1.0 . . . . . . . . . . . . A . 2 ASP H . . . . . . . . . c34215_6f7o 1 . 11 . 2362 . 1 1 2 ASP HA H -5.070 2.814 9.752 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HA . . . . . . . . . c34215_6f7o 1 . 11 . 2363 . 1 1 2 ASP HB2 H -3.298 3.472 12.053 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HB2 . . . . . . . . . c34215_6f7o 1 . 11 . 2364 . 1 1 2 ASP HB3 H -4.665 4.536 11.740 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HB3 . . . . . . . . . c34215_6f7o 1 . 11 . 2365 . 1 1 2 ASP N N -3.075 2.307 9.854 . . . 1.0 . . . . . . . . . . . . A . 2 ASP N . . . . . . . . . c34215_6f7o 1 . 11 . 2366 . 1 1 2 ASP O O -2.795 4.868 8.927 . . . 1.0 . . . . . . . . . . . . A . 2 ASP O . . . . . . . . . c34215_6f7o 1 . 11 . 2367 . 1 1 2 ASP OD1 O -5.461 2.753 13.505 . . . 1.0 . . . . . . . . . . . . A . 2 ASP OD1 . . . . . . . . . c34215_6f7o 1 . 11 . 2368 . 1 1 2 ASP OD2 O -5.655 1.602 11.643 . . . 1.0 . . . . . . . . . . . . A . 2 ASP OD2 . . . . . . . . . c34215_6f7o 1 . 11 . 2369 . 1 1 3 PRO C C -4.160 7.683 9.239 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . c34215_6f7o 1 . 11 . 2370 . 1 1 3 PRO CA C -4.919 6.622 8.448 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . c34215_6f7o 1 . 11 . 2371 . 1 1 3 PRO CB C -6.389 7.020 8.293 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . c34215_6f7o 1 . 11 . 2372 . 1 1 3 PRO CD C -6.348 5.035 9.627 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . c34215_6f7o 1 . 11 . 2373 . 1 1 3 PRO CG C -7.089 6.326 9.413 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . c34215_6f7o 1 . 11 . 2374 . 1 1 3 PRO HA H -4.469 6.513 7.473 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . c34215_6f7o 1 . 11 . 2375 . 1 1 3 PRO HB2 H -6.486 8.094 8.371 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . c34215_6f7o 1 . 11 . 2376 . 1 1 3 PRO HB3 H -6.756 6.688 7.334 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . c34215_6f7o 1 . 11 . 2377 . 1 1 3 PRO HD2 H -6.346 4.773 10.673 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . c34215_6f7o 1 . 11 . 2378 . 1 1 3 PRO HD3 H -6.790 4.245 9.038 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . c34215_6f7o 1 . 11 . 2379 . 1 1 3 PRO HG2 H -7.048 6.935 10.303 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . c34215_6f7o 1 . 11 . 2380 . 1 1 3 PRO HG3 H -8.115 6.129 9.136 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . c34215_6f7o 1 . 11 . 2381 . 1 1 3 PRO N N -4.986 5.341 9.158 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . c34215_6f7o 1 . 11 . 2382 . 1 1 3 PRO O O -3.796 7.466 10.394 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . c34215_6f7o 1 . 11 . 2383 . 1 1 4 GLN C C -1.815 9.486 9.679 . . . 1.0 . . . . . . . . . . . . A . 4 GLN C . . . . . . . . . c34215_6f7o 1 . 11 . 2384 . 1 1 4 GLN CA C -3.212 9.925 9.254 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CA . . . . . . . . . c34215_6f7o 1 . 11 . 2385 . 1 1 4 GLN CB C -3.994 10.427 10.470 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CB . . . . . . . . . c34215_6f7o 1 . 11 . 2386 . 1 1 4 GLN CD C -5.322 12.575 10.428 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CD . . . . . . . . . c34215_6f7o 1 . 11 . 2387 . 1 1 4 GLN CG C -3.962 11.936 10.632 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CG . . . . . . . . . c34215_6f7o 1 . 11 . 2388 . 1 1 4 GLN H H -4.243 8.942 7.688 . . . 1.0 . . . . . . . . . . . . A . 4 GLN H . . . . . . . . . c34215_6f7o 1 . 11 . 2389 . 1 1 4 GLN HA H -3.122 10.728 8.539 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HA . . . . . . . . . c34215_6f7o 1 . 11 . 2390 . 1 1 4 GLN HB2 H -5.025 10.118 10.373 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HB2 . . . . . . . . . c34215_6f7o 1 . 11 . 2391 . 1 1 4 GLN HB3 H -3.574 9.981 11.360 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HB3 . . . . . . . . . c34215_6f7o 1 . 11 . 2392 . 1 1 4 GLN HE21 H -5.408 13.064 12.352 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HE21 . . . . . . . . . c34215_6f7o 1 . 11 . 2393 . 1 1 4 GLN HE22 H -6.770 13.529 11.398 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HE22 . . . . . . . . . c34215_6f7o 1 . 11 . 2394 . 1 1 4 GLN HG2 H -3.619 12.171 11.629 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HG2 . . . . . . . . . c34215_6f7o 1 . 11 . 2395 . 1 1 4 GLN HG3 H -3.275 12.349 9.908 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HG3 . . . . . . . . . c34215_6f7o 1 . 11 . 2396 . 1 1 4 GLN N N -3.929 8.830 8.609 . . . 1.0 . . . . . . . . . . . . A . 4 GLN N . . . . . . . . . c34215_6f7o 1 . 11 . 2397 . 1 1 4 GLN NE2 N -5.892 13.109 11.501 . . . 1.0 . . . . . . . . . . . . A . 4 GLN NE2 . . . . . . . . . c34215_6f7o 1 . 11 . 2398 . 1 1 4 GLN O O -1.204 10.092 10.560 . . . 1.0 . . . . . . . . . . . . A . 4 GLN O . . . . . . . . . c34215_6f7o 1 . 11 . 2399 . 1 1 4 GLN OE1 O -5.855 12.585 9.318 . . . 1.0 . . . . . . . . . . . . A . 4 GLN OE1 . . . . . . . . . c34215_6f7o 1 . 11 . 2400 . 1 1 5 HIS C C 0.845 7.741 8.093 . . . 1.0 . . . . . . . . . . . . A . 5 HIS C . . . . . . . . . c34215_6f7o 1 . 11 . 2401 . 1 1 5 HIS CA C 0.013 7.909 9.362 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CA . . . . . . . . . c34215_6f7o 1 . 11 . 2402 . 1 1 5 HIS CB C -0.101 6.569 10.092 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CB . . . . . . . . . c34215_6f7o 1 . 11 . 2403 . 1 1 5 HIS CD2 C 0.986 6.713 12.443 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CD2 . . . . . . . . . c34215_6f7o 1 . 11 . 2404 . 1 1 5 HIS CE1 C 2.876 5.702 11.982 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CE1 . . . . . . . . . c34215_6f7o 1 . 11 . 2405 . 1 1 5 HIS CG C 0.955 6.364 11.134 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CG . . . . . . . . . c34215_6f7o 1 . 11 . 2406 . 1 1 5 HIS H H -1.849 7.988 8.354 . . . 1.0 . . . . . . . . . . . . A . 5 HIS H . . . . . . . . . c34215_6f7o 1 . 11 . 2407 . 1 1 5 HIS HA H 0.504 8.620 10.006 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HA . . . . . . . . . c34215_6f7o 1 . 11 . 2408 . 1 1 5 HIS HB2 H -1.064 6.514 10.579 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB2 . . . . . . . . . c34215_6f7o 1 . 11 . 2409 . 1 1 5 HIS HB3 H -0.018 5.766 9.372 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB3 . . . . . . . . . c34215_6f7o 1 . 11 . 2410 . 1 1 5 HIS HD1 H 2.431 5.363 10.012 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD1 . . . . . . . . . c34215_6f7o 1 . 11 . 2411 . 1 1 5 HIS HD2 H 0.208 7.228 12.987 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD2 . . . . . . . . . c34215_6f7o 1 . 11 . 2412 . 1 1 5 HIS HE1 H 3.861 5.268 12.081 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HE1 . . . . . . . . . c34215_6f7o 1 . 11 . 2413 . 1 1 5 HIS N N -1.315 8.428 9.047 . . . 1.0 . . . . . . . . . . . . A . 5 HIS N . . . . . . . . . c34215_6f7o 1 . 11 . 2414 . 1 1 5 HIS ND1 N 2.154 5.734 10.876 . . . 1.0 . . . . . . . . . . . . A . 5 HIS ND1 . . . . . . . . . c34215_6f7o 1 . 11 . 2415 . 1 1 5 HIS NE2 N 2.193 6.290 12.946 . . . 1.0 . . . . . . . . . . . . A . 5 HIS NE2 . . . . . . . . . c34215_6f7o 1 . 11 . 2416 . 1 1 5 HIS O O 2.053 7.962 8.132 . . . 1.0 . . . . . . . . . . . . A . 5 HIS O . . . . . . . . . c34215_6f7o 1 . 11 . 2417 . 1 1 6 . C C 1.436 8.447 5.297 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 C . . . . . . . . . c34215_6f7o 1 . 11 . 2418 . 1 1 6 . CA C 0.884 7.070 5.680 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 CA . . . . . . . . . c34215_6f7o 1 . 11 . 2419 . 1 1 6 . CB C -0.169 6.620 4.618 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 CB . . . . . . . . . c34215_6f7o 1 . 11 . 2420 . 1 1 6 . CB1 C 1.999 5.977 5.765 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 CB1 . . . . . . . . . c34215_6f7o 1 . 11 . 2421 . 1 1 6 . CD C 0.053 7.729 2.276 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 CD . . . . . . . . . c34215_6f7o 1 . 11 . 2422 . 1 1 6 . CE C 0.904 7.702 1.020 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 CE . . . . . . . . . c34215_6f7o 1 . 11 . 2423 . 1 1 6 . CG C 0.373 6.508 3.163 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 CG . . . . . . . . . c34215_6f7o 1 . 11 . 2424 . 1 1 6 . HB H -0.553 5.637 4.913 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HB . . . . . . . . . c34215_6f7o 1 . 11 . 2425 . 1 1 6 . HB1 H 2.635 5.958 4.879 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HB1 . . . . . . . . . c34215_6f7o 1 . 11 . 2426 . 1 1 6 . HB1A H 2.663 6.134 6.614 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HB1A . . . . . . . . . c34215_6f7o 1 . 11 . 2427 . 1 1 6 . HB1B H 1.560 4.987 5.891 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HB1B . . . . . . . . . c34215_6f7o 1 . 11 . 2428 . 1 1 6 . HBA H -1.037 7.287 4.634 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HBA . . . . . . . . . c34215_6f7o 1 . 11 . 2429 . 1 1 6 . HD H -1.002 7.700 1.998 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HD . . . . . . . . . c34215_6f7o 1 . 11 . 2430 . 1 1 6 . HDA H 0.196 8.648 2.834 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HDA . . . . . . . . . c34215_6f7o 1 . 11 . 2431 . 1 1 6 . HE H 0.660 6.906 0.321 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HE . . . . . . . . . c34215_6f7o 1 . 11 . 2432 . 1 1 6 . HG H 1.451 6.355 3.155 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HG . . . . . . . . . c34215_6f7o 1 . 11 . 2433 . 1 1 6 . HGA H -0.056 5.621 2.692 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HGA . . . . . . . . . c34215_6f7o 1 . 11 . 2434 . 1 1 6 . HN H -0.709 6.871 7.099 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HN . . . . . . . . . c34215_6f7o 1 . 11 . 2435 . 1 1 6 . N N 0.235 7.209 7.002 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 N . . . . . . . . . c34215_6f7o 1 . 11 . 2436 . 1 1 6 . O O 2.603 8.659 5.064 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 O . . . . . . . . . c34215_6f7o 1 . 11 . 2437 . 1 1 7 ARG C C 1.868 11.415 6.120 . . . 1.0 . . . . . . . . . . . . A . 7 ARG C . . . . . . . . . c34215_6f7o 1 . 11 . 2438 . 1 1 7 ARG CA C 0.817 10.873 5.154 . . . 1.0 . . . . . . . . . . . . A . 7 ARG CA . . . . . . . . . c34215_6f7o 1 . 11 . 2439 . 1 1 7 ARG CB C -0.469 11.693 5.271 . . . 1.0 . . . . . . . . . . . . A . 7 ARG CB . . . . . . . . . c34215_6f7o 1 . 11 . 2440 . 1 1 7 ARG CD C -1.615 13.833 4.626 . . . 1.0 . . . . . . . . . . . . A . 7 ARG CD . . . . . . . . . c34215_6f7o 1 . 11 . 2441 . 1 1 7 ARG CG C -0.592 12.783 4.221 . . . 1.0 . . . . . . . . . . . . A . 7 ARG CG . . . . . . . . . c34215_6f7o 1 . 11 . 2442 . 1 1 7 ARG CZ C -3.391 15.180 3.589 . . . 1.0 . . . . . . . . . . . . A . 7 ARG CZ . . . . . . . . . c34215_6f7o 1 . 11 . 2443 . 1 1 7 ARG H H -0.362 9.192 5.667 . . . 1.0 . . . . . . . . . . . . A . 7 ARG H . . . . . . . . . c34215_6f7o 1 . 11 . 2444 . 1 1 7 ARG HA H 1.195 10.954 4.147 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HA . . . . . . . . . c34215_6f7o 1 . 11 . 2445 . 1 1 7 ARG HB2 H -1.316 11.028 5.170 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HB2 . . . . . . . . . c34215_6f7o 1 . 11 . 2446 . 1 1 7 ARG HB3 H -0.500 12.156 6.246 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HB3 . . . . . . . . . c34215_6f7o 1 . 11 . 2447 . 1 1 7 ARG HD2 H -2.259 13.416 5.385 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HD2 . . . . . . . . . c34215_6f7o 1 . 11 . 2448 . 1 1 7 ARG HD3 H -1.093 14.688 5.026 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HD3 . . . . . . . . . c34215_6f7o 1 . 11 . 2449 . 1 1 7 ARG HE H -2.263 13.848 2.625 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HE . . . . . . . . . c34215_6f7o 1 . 11 . 2450 . 1 1 7 ARG HG2 H 0.368 13.260 4.096 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HG2 . . . . . . . . . c34215_6f7o 1 . 11 . 2451 . 1 1 7 ARG HG3 H -0.898 12.337 3.287 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HG3 . . . . . . . . . c34215_6f7o 1 . 11 . 2452 . 1 1 7 ARG HH11 H -4.365 16.454 4.821 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HH11 . . . . . . . . . c34215_6f7o 1 . 11 . 2453 . 1 1 7 ARG HH12 H -3.117 15.511 5.564 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HH12 . . . . . . . . . c34215_6f7o 1 . 11 . 2454 . 1 1 7 ARG HH21 H -4.814 16.209 2.586 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HH21 . . . . . . . . . c34215_6f7o 1 . 11 . 2455 . 1 1 7 ARG HH22 H -3.903 15.085 1.637 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HH22 . . . . . . . . . c34215_6f7o 1 . 11 . 2456 . 1 1 7 ARG N N 0.547 9.465 5.421 . . . 1.0 . . . . . . . . . . . . A . 7 ARG N . . . . . . . . . c34215_6f7o 1 . 11 . 2457 . 1 1 7 ARG NE N -2.435 14.264 3.496 . . . 1.0 . . . . . . . . . . . . A . 7 ARG NE . . . . . . . . . c34215_6f7o 1 . 11 . 2458 . 1 1 7 ARG NH1 N -3.645 15.762 4.754 . . . 1.0 . . . . . . . . . . . . A . 7 ARG NH1 . . . . . . . . . c34215_6f7o 1 . 11 . 2459 . 1 1 7 ARG NH2 N -4.094 15.520 2.516 . . . 1.0 . . . . . . . . . . . . A . 7 ARG NH2 . . . . . . . . . c34215_6f7o 1 . 11 . 2460 . 1 1 7 ARG O O 2.822 12.075 5.709 . . . 1.0 . . . . . . . . . . . . A . 7 ARG O . . . . . . . . . c34215_6f7o 1 . 11 . 2461 . 1 1 8 LYS C C 4.034 11.116 8.130 . . . 1.0 . . . . . . . . . . . . A . 8 LYS C . . . . . . . . . c34215_6f7o 1 . 11 . 2462 . 1 1 8 LYS CA C 2.615 11.594 8.429 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CA . . . . . . . . . c34215_6f7o 1 . 11 . 2463 . 1 1 8 LYS CB C 2.179 11.093 9.808 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CB . . . . . . . . . c34215_6f7o 1 . 11 . 2464 . 1 1 8 LYS CD C 3.899 12.504 10.972 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CD . . . . . . . . . c34215_6f7o 1 . 11 . 2465 . 1 1 8 LYS CE C 4.051 12.914 12.429 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CE . . . . . . . . . c34215_6f7o 1 . 11 . 2466 . 1 1 8 LYS CG C 3.288 11.119 10.844 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CG . . . . . . . . . c34215_6f7o 1 . 11 . 2467 . 1 1 8 LYS H H 0.906 10.606 7.672 . . . 1.0 . . . . . . . . . . . . A . 8 LYS H . . . . . . . . . c34215_6f7o 1 . 11 . 2468 . 1 1 8 LYS HA H 2.605 12.673 8.427 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HA . . . . . . . . . c34215_6f7o 1 . 11 . 2469 . 1 1 8 LYS HB2 H 1.369 11.713 10.161 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB2 . . . . . . . . . c34215_6f7o 1 . 11 . 2470 . 1 1 8 LYS HB3 H 1.827 10.077 9.712 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB3 . . . . . . . . . c34215_6f7o 1 . 11 . 2471 . 1 1 8 LYS HD2 H 4.874 12.502 10.507 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD2 . . . . . . . . . c34215_6f7o 1 . 11 . 2472 . 1 1 8 LYS HD3 H 3.263 13.218 10.470 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD3 . . . . . . . . . c34215_6f7o 1 . 11 . 2473 . 1 1 8 LYS HE2 H 4.065 13.993 12.485 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE2 . . . . . . . . . c34215_6f7o 1 . 11 . 2474 . 1 1 8 LYS HE3 H 3.208 12.534 12.985 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE3 . . . . . . . . . c34215_6f7o 1 . 11 . 2475 . 1 1 8 LYS HG2 H 2.881 10.828 11.801 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG2 . . . . . . . . . c34215_6f7o 1 . 11 . 2476 . 1 1 8 LYS HG3 H 4.058 10.420 10.552 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG3 . . . . . . . . . c34215_6f7o 1 . 11 . 2477 . 1 1 8 LYS HZ1 H 6.130 12.881 12.633 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ1 . . . . . . . . . c34215_6f7o 1 . 11 . 2478 . 1 1 8 LYS HZ2 H 5.398 11.367 12.820 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ2 . . . . . . . . . c34215_6f7o 1 . 11 . 2479 . 1 1 8 LYS HZ3 H 5.296 12.515 14.057 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ3 . . . . . . . . . c34215_6f7o 1 . 11 . 2480 . 1 1 8 LYS N N 1.686 11.134 7.406 . . . 1.0 . . . . . . . . . . . . A . 8 LYS N . . . . . . . . . c34215_6f7o 1 . 11 . 2481 . 1 1 8 LYS NZ N 5.308 12.381 13.028 . . . 1.0 . . . . . . . . . . . . A . 8 LYS NZ . . . . . . . . . c34215_6f7o 1 . 11 . 2482 . 1 1 8 LYS O O 4.987 11.896 8.177 . . . 1.0 . . . . . . . . . . . . A . 8 LYS O . . . . . . . . . c34215_6f7o 1 . 11 . 2483 . 1 1 9 LEU C C 5.998 9.778 6.180 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . c34215_6f7o 1 . 11 . 2484 . 1 1 9 LEU CA C 5.469 9.249 7.510 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . c34215_6f7o 1 . 11 . 2485 . 1 1 9 LEU CB C 5.368 7.723 7.463 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . c34215_6f7o 1 . 11 . 2486 . 1 1 9 LEU CD1 C 5.179 5.637 8.839 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . c34215_6f7o 1 . 11 . 2487 . 1 1 9 LEU CD2 C 7.388 6.792 8.621 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . c34215_6f7o 1 . 11 . 2488 . 1 1 9 LEU CG C 5.880 6.980 8.698 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . c34215_6f7o 1 . 11 . 2489 . 1 1 9 LEU H H 3.370 9.261 7.797 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . c34215_6f7o 1 . 11 . 2490 . 1 1 9 LEU HA H 6.152 9.534 8.295 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . c34215_6f7o 1 . 11 . 2491 . 1 1 9 LEU HB2 H 4.330 7.465 7.327 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . c34215_6f7o 1 . 11 . 2492 . 1 1 9 LEU HB3 H 5.938 7.381 6.610 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . c34215_6f7o 1 . 11 . 2493 . 1 1 9 LEU HD11 H 4.643 5.607 9.774 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . c34215_6f7o 1 . 11 . 2494 . 1 1 9 LEU HD12 H 5.914 4.845 8.821 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . c34215_6f7o 1 . 11 . 2495 . 1 1 9 LEU HD13 H 4.486 5.504 8.022 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . c34215_6f7o 1 . 11 . 2496 . 1 1 9 LEU HD21 H 7.677 6.620 7.595 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . c34215_6f7o 1 . 11 . 2497 . 1 1 9 LEU HD22 H 7.675 5.942 9.221 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . c34215_6f7o 1 . 11 . 2498 . 1 1 9 LEU HD23 H 7.880 7.678 8.992 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . c34215_6f7o 1 . 11 . 2499 . 1 1 9 LEU HG H 5.660 7.566 9.579 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . c34215_6f7o 1 . 11 . 2500 . 1 1 9 LEU N N 4.165 9.831 7.821 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . c34215_6f7o 1 . 11 . 2501 . 1 1 9 LEU O O 7.212 9.897 6.023 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . c34215_6f7o 1 . 11 . 2502 . 1 1 10 . C C 6.086 11.960 4.090 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 C . . . . . . . . . c34215_6f7o 1 . 11 . 2503 . 1 1 10 . CA C 5.530 10.553 3.826 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 CA . . . . . . . . . c34215_6f7o 1 . 11 . 2504 . 1 1 10 . CB C 4.282 10.730 2.901 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 CB . . . . . . . . . c34215_6f7o 1 . 11 . 2505 . 1 1 10 . CB1 C 6.593 9.692 3.080 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 CB1 . . . . . . . . . c34215_6f7o 1 . 11 . 2506 . 1 1 10 . CD C 2.409 9.722 1.495 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 CD . . . . . . . . . c34215_6f7o 1 . 11 . 2507 . 1 1 10 . CE C 1.910 8.527 0.702 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 CE . . . . . . . . . c34215_6f7o 1 . 11 . 2508 . 1 1 10 . CG C 3.776 9.458 2.166 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 CG . . . . . . . . . c34215_6f7o 1 . 11 . 2509 . 1 1 10 . HB H 3.464 11.144 3.487 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HB . . . . . . . . . c34215_6f7o 1 . 11 . 2510 . 1 1 10 . HB1 H 7.565 9.720 3.578 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HB1 . . . . . . . . . c34215_6f7o 1 . 11 . 2511 . 1 1 10 . HB1A H 6.284 8.647 3.022 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HB1A . . . . . . . . . c34215_6f7o 1 . 11 . 2512 . 1 1 10 . HB1B H 6.746 10.061 2.063 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HB1B . . . . . . . . . c34215_6f7o 1 . 11 . 2513 . 1 1 10 . HBA H 4.515 11.476 2.135 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HBA . . . . . . . . . c34215_6f7o 1 . 11 . 2514 . 1 1 10 . HD H 1.685 10.028 2.249 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HD . . . . . . . . . c34215_6f7o 1 . 11 . 2515 . 1 1 10 . HDA H 2.510 10.568 0.812 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HDA . . . . . . . . . c34215_6f7o 1 . 11 . 2516 . 1 1 10 . HE H 2.430 8.363 -0.237 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HE . . . . . . . . . c34215_6f7o 1 . 11 . 2517 . 1 1 10 . HG H 4.494 9.171 1.390 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HG . . . . . . . . . c34215_6f7o 1 . 11 . 2518 . 1 1 10 . HGA H 3.691 8.614 2.852 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HGA . . . . . . . . . c34215_6f7o 1 . 11 . 2519 . 1 1 10 . HN H 4.179 9.742 5.276 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HN . . . . . . . . . c34215_6f7o 1 . 11 . 2520 . 1 1 10 . N N 5.155 9.939 5.131 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 N . . . . . . . . . c34215_6f7o 1 . 11 . 2521 . 1 1 10 . O O 7.107 12.381 3.582 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 O . . . . . . . . . c34215_6f7o 1 . 11 . 2522 . 1 1 11 GLN C C 7.095 13.975 6.220 . . . 1.0 . . . . . . . . . . . . A . 11 GLN C . . . . . . . . . c34215_6f7o 1 . 11 . 2523 . 1 1 11 GLN CA C 5.783 14.024 5.448 . . . 1.0 . . . . . . . . . . . . A . 11 GLN CA . . . . . . . . . c34215_6f7o 1 . 11 . 2524 . 1 1 11 GLN CB C 4.682 14.629 6.324 . . . 1.0 . . . . . . . . . . . . A . 11 GLN CB . . . . . . . . . c34215_6f7o 1 . 11 . 2525 . 1 1 11 GLN CD C 4.616 16.880 7.471 . . . 1.0 . . . . . . . . . . . . A . 11 GLN CD . . . . . . . . . c34215_6f7o 1 . 11 . 2526 . 1 1 11 GLN CG C 4.528 16.131 6.153 . . . 1.0 . . . . . . . . . . . . A . 11 GLN CG . . . . . . . . . c34215_6f7o 1 . 11 . 2527 . 1 1 11 GLN H H 4.538 12.319 5.291 . . . 1.0 . . . . . . . . . . . . A . 11 GLN H . . . . . . . . . c34215_6f7o 1 . 11 . 2528 . 1 1 11 GLN HA H 5.914 14.644 4.574 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HA . . . . . . . . . c34215_6f7o 1 . 11 . 2529 . 1 1 11 GLN HB2 H 3.742 14.160 6.075 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HB2 . . . . . . . . . c34215_6f7o 1 . 11 . 2530 . 1 1 11 GLN HB3 H 4.913 14.428 7.359 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HB3 . . . . . . . . . c34215_6f7o 1 . 11 . 2531 . 1 1 11 GLN HE21 H 3.075 15.849 8.187 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HE21 . . . . . . . . . c34215_6f7o 1 . 11 . 2532 . 1 1 11 GLN HE22 H 3.763 17.015 9.259 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HE22 . . . . . . . . . c34215_6f7o 1 . 11 . 2533 . 1 1 11 GLN HG2 H 5.309 16.489 5.499 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HG2 . . . . . . . . . c34215_6f7o 1 . 11 . 2534 . 1 1 11 GLN HG3 H 3.565 16.332 5.705 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HG3 . . . . . . . . . c34215_6f7o 1 . 11 . 2535 . 1 1 11 GLN N N 5.394 12.693 4.997 . . . 1.0 . . . . . . . . . . . . A . 11 GLN N . . . . . . . . . c34215_6f7o 1 . 11 . 2536 . 1 1 11 GLN NE2 N 3.730 16.550 8.401 . . . 1.0 . . . . . . . . . . . . A . 11 GLN NE2 . . . . . . . . . c34215_6f7o 1 . 11 . 2537 . 1 1 11 GLN O O 7.800 14.978 6.328 . . . 1.0 . . . . . . . . . . . . A . 11 GLN O . . . . . . . . . c34215_6f7o 1 . 11 . 2538 . 1 1 11 GLN OE1 O 5.473 17.745 7.649 . . . 1.0 . . . . . . . . . . . . A . 11 GLN OE1 . . . . . . . . . c34215_6f7o 1 . 11 . 2539 . 1 1 12 ALA C C 9.848 12.455 6.591 . . . 1.0 . . . . . . . . . . . . A . 12 ALA C . . . . . . . . . c34215_6f7o 1 . 11 . 2540 . 1 1 12 ALA CA C 8.647 12.625 7.518 . . . 1.0 . . . . . . . . . . . . A . 12 ALA CA . . . . . . . . . c34215_6f7o 1 . 11 . 2541 . 1 1 12 ALA CB C 8.523 11.425 8.447 . . . 1.0 . . . . . . . . . . . . A . 12 ALA CB . . . . . . . . . c34215_6f7o 1 . 11 . 2542 . 1 1 12 ALA H H 6.814 12.039 6.637 . . . 1.0 . . . . . . . . . . . . A . 12 ALA H . . . . . . . . . c34215_6f7o 1 . 11 . 2543 . 1 1 12 ALA HA H 8.796 13.505 8.126 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HA . . . . . . . . . c34215_6f7o 1 . 11 . 2544 . 1 1 12 ALA HB1 H 9.239 11.518 9.250 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB1 . . . . . . . . . c34215_6f7o 1 . 11 . 2545 . 1 1 12 ALA HB2 H 7.525 11.389 8.855 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB2 . . . . . . . . . c34215_6f7o 1 . 11 . 2546 . 1 1 12 ALA HB3 H 8.721 10.519 7.892 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB3 . . . . . . . . . c34215_6f7o 1 . 11 . 2547 . 1 1 12 ALA N N 7.418 12.802 6.756 . . . 1.0 . . . . . . . . . . . . A . 12 ALA N . . . . . . . . . c34215_6f7o 1 . 11 . 2548 . 1 1 12 ALA O O 10.959 12.867 6.919 . . . 1.0 . . . . . . . . . . . . A . 12 ALA O . . . . . . . . . c34215_6f7o 1 . 11 . 2549 . 1 1 13 ALA C C 11.821 10.826 5.067 . . . 1.0 . . . . . . . . . . . . A . 13 ALA C . . . . . . . . . c34215_6f7o 1 . 11 . 2550 . 1 1 13 ALA CA C 10.676 11.628 4.459 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CA . . . . . . . . . c34215_6f7o 1 . 11 . 2551 . 1 1 13 ALA CB C 11.185 12.958 3.922 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CB . . . . . . . . . c34215_6f7o 1 . 11 . 2552 . 1 1 13 ALA H H 8.705 11.543 5.228 . . . 1.0 . . . . . . . . . . . . A . 13 ALA H . . . . . . . . . c34215_6f7o 1 . 11 . 2553 . 1 1 13 ALA HA H 10.259 11.071 3.631 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HA . . . . . . . . . c34215_6f7o 1 . 11 . 2554 . 1 1 13 ALA HB1 H 10.980 13.736 4.642 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB1 . . . . . . . . . c34215_6f7o 1 . 11 . 2555 . 1 1 13 ALA HB2 H 12.250 12.892 3.753 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB2 . . . . . . . . . c34215_6f7o 1 . 11 . 2556 . 1 1 13 ALA HB3 H 10.685 13.185 2.993 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB3 . . . . . . . . . c34215_6f7o 1 . 11 . 2557 . 1 1 13 ALA N N 9.614 11.848 5.433 . . . 1.0 . . . . . . . . . . . . A . 13 ALA N . . . . . . . . . c34215_6f7o 1 . 11 . 2558 . 1 1 13 ALA O O 12.740 11.392 5.661 . . . 1.0 . . . . . . . . . . . . A . 13 ALA O . . . . . . . . . c34215_6f7o 1 . 11 . 2559 . 1 1 14 ARG C C 12.916 8.795 6.964 . . . 1.0 . . . . . . . . . . . . A . 14 ARG C . . . . . . . . . c34215_6f7o 1 . 11 . 2560 . 1 1 14 ARG CA C 12.792 8.627 5.452 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CA . . . . . . . . . c34215_6f7o 1 . 11 . 2561 . 1 1 14 ARG CB C 14.138 8.920 4.785 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CB . . . . . . . . . c34215_6f7o 1 . 11 . 2562 . 1 1 14 ARG CD C 14.595 6.761 3.583 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CD . . . . . . . . . c34215_6f7o 1 . 11 . 2563 . 1 1 14 ARG CG C 15.044 7.705 4.687 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CG . . . . . . . . . c34215_6f7o 1 . 11 . 2564 . 1 1 14 ARG CZ C 14.309 4.603 4.728 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CZ . . . . . . . . . c34215_6f7o 1 . 11 . 2565 . 1 1 14 ARG H H 11.003 9.117 4.433 . . . 1.0 . . . . . . . . . . . . A . 14 ARG H . . . . . . . . . c34215_6f7o 1 . 11 . 2566 . 1 1 14 ARG HA H 12.507 7.612 5.235 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HA . . . . . . . . . c34215_6f7o 1 . 11 . 2567 . 1 1 14 ARG HB2 H 13.959 9.291 3.787 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB2 . . . . . . . . . c34215_6f7o 1 . 11 . 2568 . 1 1 14 ARG HB3 H 14.650 9.681 5.355 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB3 . . . . . . . . . c34215_6f7o 1 . 11 . 2569 . 1 1 14 ARG HD2 H 14.004 7.318 2.870 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD2 . . . . . . . . . c34215_6f7o 1 . 11 . 2570 . 1 1 14 ARG HD3 H 15.470 6.362 3.091 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD3 . . . . . . . . . c34215_6f7o 1 . 11 . 2571 . 1 1 14 ARG HE H 12.823 5.699 3.973 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HE . . . . . . . . . c34215_6f7o 1 . 11 . 2572 . 1 1 14 ARG HG2 H 16.051 8.034 4.475 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG2 . . . . . . . . . c34215_6f7o 1 . 11 . 2573 . 1 1 14 ARG HG3 H 15.028 7.178 5.629 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG3 . . . . . . . . . c34215_6f7o 1 . 11 . 2574 . 1 1 14 ARG HH11 H 16.005 3.724 5.387 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH11 . . . . . . . . . c34215_6f7o 1 . 11 . 2575 . 1 1 14 ARG HH12 H 16.221 5.244 4.583 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH12 . . . . . . . . . c34215_6f7o 1 . 11 . 2576 . 1 1 14 ARG HH21 H 13.905 2.847 5.640 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH21 . . . . . . . . . c34215_6f7o 1 . 11 . 2577 . 1 1 14 ARG HH22 H 12.526 3.700 5.031 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH22 . . . . . . . . . c34215_6f7o 1 . 11 . 2578 . 1 1 14 ARG N N 11.760 9.508 4.916 . . . 1.0 . . . . . . . . . . . . A . 14 ARG N . . . . . . . . . c34215_6f7o 1 . 11 . 2579 . 1 1 14 ARG NE N 13.794 5.655 4.100 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NE . . . . . . . . . c34215_6f7o 1 . 11 . 2580 . 1 1 14 ARG NH1 N 15.620 4.516 4.914 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH1 . . . . . . . . . c34215_6f7o 1 . 11 . 2581 . 1 1 14 ARG NH2 N 13.516 3.637 5.168 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH2 . . . . . . . . . c34215_6f7o 1 . 11 . 2582 . 1 1 14 ARG O O 13.995 8.570 7.509 . . . 1.0 . . . . . . . . . . . . A . 14 ARG O . . . . . . . . . c34215_6f7o 1 . 11 . 2583 . 1 1 15 NH2 HN1 H 10.978 9.348 7.090 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 HN1 . . . . . . . . . c34215_6f7o 1 . 11 . 2584 . 1 1 15 NH2 HN2 H 11.838 9.310 8.593 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 HN2 . . . . . . . . . c34215_6f7o 1 . 11 . 2585 . 1 1 15 NH2 N N 11.819 9.183 7.602 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 N . . . . . . . . . c34215_6f7o 1 . 12 . 2586 . 1 1 1 ACE C C -4.475 2.404 9.506 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . c34215_6f7o 1 . 12 . 2587 . 1 1 1 ACE CH3 C -5.345 1.206 9.321 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . c34215_6f7o 1 . 12 . 2588 . 1 1 1 ACE H1 H -4.719 0.325 9.168 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . c34215_6f7o 1 . 12 . 2589 . 1 1 1 ACE H2 H -5.961 1.065 10.209 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . c34215_6f7o 1 . 12 . 2590 . 1 1 1 ACE H3 H -5.987 1.353 8.452 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . c34215_6f7o 1 . 12 . 2591 . 1 1 1 ACE O O -3.327 2.450 9.067 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . c34215_6f7o 1 . 12 . 2592 . 1 1 2 ASP C C -3.809 5.266 9.141 . . . 1.0 . . . . . . . . . . . . A . 2 ASP C . . . . . . . . . c34215_6f7o 1 . 12 . 2593 . 1 1 2 ASP CA C -4.316 4.645 10.439 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CA . . . . . . . . . c34215_6f7o 1 . 12 . 2594 . 1 1 2 ASP CB C -3.144 4.386 11.388 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CB . . . . . . . . . c34215_6f7o 1 . 12 . 2595 . 1 1 2 ASP CG C -3.567 3.651 12.644 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CG . . . . . . . . . c34215_6f7o 1 . 12 . 2596 . 1 1 2 ASP H H -5.955 3.308 10.500 . . . 1.0 . . . . . . . . . . . . A . 2 ASP H . . . . . . . . . c34215_6f7o 1 . 12 . 2597 . 1 1 2 ASP HA H -5.001 5.334 10.909 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HA . . . . . . . . . c34215_6f7o 1 . 12 . 2598 . 1 1 2 ASP HB2 H -2.400 3.792 10.878 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HB2 . . . . . . . . . c34215_6f7o 1 . 12 . 2599 . 1 1 2 ASP HB3 H -2.707 5.332 11.675 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HB3 . . . . . . . . . c34215_6f7o 1 . 12 . 2600 . 1 1 2 ASP N N -5.037 3.405 10.176 . . . 1.0 . . . . . . . . . . . . A . 2 ASP N . . . . . . . . . c34215_6f7o 1 . 12 . 2601 . 1 1 2 ASP O O -2.613 5.253 8.844 . . . 1.0 . . . . . . . . . . . . A . 2 ASP O . . . . . . . . . c34215_6f7o 1 . 12 . 2602 . 1 1 2 ASP OD1 O -3.065 2.529 12.871 . . . 1.0 . . . . . . . . . . . . A . 2 ASP OD1 . . . . . . . . . c34215_6f7o 1 . 12 . 2603 . 1 1 2 ASP OD2 O -4.397 4.198 13.400 . . . 1.0 . . . . . . . . . . . . A . 2 ASP OD2 . . . . . . . . . c34215_6f7o 1 . 12 . 2604 . 1 1 3 PRO C C -3.639 7.763 7.252 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . c34215_6f7o 1 . 12 . 2605 . 1 1 3 PRO CA C -4.406 6.458 7.071 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . c34215_6f7o 1 . 12 . 2606 . 1 1 3 PRO CB C -5.778 6.729 6.445 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . c34215_6f7o 1 . 12 . 2607 . 1 1 3 PRO CD C -6.179 5.874 8.642 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . c34215_6f7o 1 . 12 . 2608 . 1 1 3 PRO CG C -6.710 6.824 7.603 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . c34215_6f7o 1 . 12 . 2609 . 1 1 3 PRO HA H -3.842 5.796 6.432 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . c34215_6f7o 1 . 12 . 2610 . 1 1 3 PRO HB2 H -5.745 7.652 5.885 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . c34215_6f7o 1 . 12 . 2611 . 1 1 3 PRO HB3 H -6.044 5.913 5.788 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . c34215_6f7o 1 . 12 . 2612 . 1 1 3 PRO HD2 H -6.358 6.263 9.634 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . c34215_6f7o 1 . 12 . 2613 . 1 1 3 PRO HD3 H -6.630 4.899 8.528 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . c34215_6f7o 1 . 12 . 2614 . 1 1 3 PRO HG2 H -6.719 7.832 7.985 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . c34215_6f7o 1 . 12 . 2615 . 1 1 3 PRO HG3 H -7.704 6.526 7.299 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . c34215_6f7o 1 . 12 . 2616 . 1 1 3 PRO N N -4.737 5.823 8.350 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . c34215_6f7o 1 . 12 . 2617 . 1 1 3 PRO O O -2.785 8.110 6.434 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . c34215_6f7o 1 . 12 . 2618 . 1 1 4 GLN C C -1.796 9.535 8.879 . . . 1.0 . . . . . . . . . . . . A . 4 GLN C . . . . . . . . . c34215_6f7o 1 . 12 . 2619 . 1 1 4 GLN CA C -3.282 9.746 8.616 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CA . . . . . . . . . c34215_6f7o 1 . 12 . 2620 . 1 1 4 GLN CB C -3.934 10.424 9.822 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CB . . . . . . . . . c34215_6f7o 1 . 12 . 2621 . 1 1 4 GLN CD C -4.829 9.778 12.094 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CD . . . . . . . . . c34215_6f7o 1 . 12 . 2622 . 1 1 4 GLN CG C -3.652 9.725 11.140 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CG . . . . . . . . . c34215_6f7o 1 . 12 . 2623 . 1 1 4 GLN H H -4.634 8.150 8.941 . . . 1.0 . . . . . . . . . . . . A . 4 GLN H . . . . . . . . . c34215_6f7o 1 . 12 . 2624 . 1 1 4 GLN HA H -3.397 10.384 7.751 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HA . . . . . . . . . c34215_6f7o 1 . 12 . 2625 . 1 1 4 GLN HB2 H -3.567 11.439 9.892 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HB2 . . . . . . . . . c34215_6f7o 1 . 12 . 2626 . 1 1 4 GLN HB3 H -5.005 10.447 9.673 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HB3 . . . . . . . . . c34215_6f7o 1 . 12 . 2627 . 1 1 4 GLN HE21 H -3.889 8.569 13.361 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HE21 . . . . . . . . . c34215_6f7o 1 . 12 . 2628 . 1 1 4 GLN HE22 H -5.459 9.092 13.849 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HE22 . . . . . . . . . c34215_6f7o 1 . 12 . 2629 . 1 1 4 GLN HG2 H -3.418 8.688 10.939 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HG2 . . . . . . . . . c34215_6f7o 1 . 12 . 2630 . 1 1 4 GLN HG3 H -2.803 10.199 11.611 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HG3 . . . . . . . . . c34215_6f7o 1 . 12 . 2631 . 1 1 4 GLN N N -3.944 8.479 8.328 . . . 1.0 . . . . . . . . . . . . A . 4 GLN N . . . . . . . . . c34215_6f7o 1 . 12 . 2632 . 1 1 4 GLN NE2 N -4.716 9.074 13.214 . . . 1.0 . . . . . . . . . . . . A . 4 GLN NE2 . . . . . . . . . c34215_6f7o 1 . 12 . 2633 . 1 1 4 GLN O O -0.979 10.427 8.640 . . . 1.0 . . . . . . . . . . . . A . 4 GLN O . . . . . . . . . c34215_6f7o 1 . 12 . 2634 . 1 1 4 GLN OE1 O -5.830 10.442 11.825 . . . 1.0 . . . . . . . . . . . . A . 4 GLN OE1 . . . . . . . . . c34215_6f7o 1 . 12 . 2635 . 1 1 5 HIS C C 0.728 7.784 8.381 . . . 1.0 . . . . . . . . . . . . A . 5 HIS C . . . . . . . . . c34215_6f7o 1 . 12 . 2636 . 1 1 5 HIS CA C -0.059 8.022 9.666 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CA . . . . . . . . . c34215_6f7o 1 . 12 . 2637 . 1 1 5 HIS CB C 0.018 6.786 10.561 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CB . . . . . . . . . c34215_6f7o 1 . 12 . 2638 . 1 1 5 HIS CD2 C 1.246 6.537 12.833 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CD2 . . . . . . . . . c34215_6f7o 1 . 12 . 2639 . 1 1 5 HIS CE1 C 3.269 7.042 12.159 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CE1 . . . . . . . . . c34215_6f7o 1 . 12 . 2640 . 1 1 5 HIS CG C 1.179 6.800 11.506 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CG . . . . . . . . . c34215_6f7o 1 . 12 . 2641 . 1 1 5 HIS H H -2.144 7.681 9.539 . . . 1.0 . . . . . . . . . . . . A . 5 HIS H . . . . . . . . . c34215_6f7o 1 . 12 . 2642 . 1 1 5 HIS HA H 0.376 8.861 10.187 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HA . . . . . . . . . c34215_6f7o 1 . 12 . 2643 . 1 1 5 HIS HB2 H -0.887 6.718 11.149 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB2 . . . . . . . . . c34215_6f7o 1 . 12 . 2644 . 1 1 5 HIS HB3 H 0.102 5.904 9.943 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB3 . . . . . . . . . c34215_6f7o 1 . 12 . 2645 . 1 1 5 HIS HD1 H 2.743 7.350 10.205 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD1 . . . . . . . . . c34215_6f7o 1 . 12 . 2646 . 1 1 5 HIS HD2 H 0.421 6.257 13.473 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD2 . . . . . . . . . c34215_6f7o 1 . 12 . 2647 . 1 1 5 HIS HE1 H 4.333 7.234 12.151 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HE1 . . . . . . . . . c34215_6f7o 1 . 12 . 2648 . 1 1 5 HIS N N -1.448 8.351 9.371 . . . 1.0 . . . . . . . . . . . . A . 5 HIS N . . . . . . . . . c34215_6f7o 1 . 12 . 2649 . 1 1 5 HIS ND1 N 2.464 7.114 11.113 . . . 1.0 . . . . . . . . . . . . A . 5 HIS ND1 . . . . . . . . . c34215_6f7o 1 . 12 . 2650 . 1 1 5 HIS NE2 N 2.555 6.696 13.212 . . . 1.0 . . . . . . . . . . . . A . 5 HIS NE2 . . . . . . . . . c34215_6f7o 1 . 12 . 2651 . 1 1 5 HIS O O 1.947 7.941 8.384 . . . 1.0 . . . . . . . . . . . . A . 5 HIS O . . . . . . . . . c34215_6f7o 1 . 12 . 2652 . 1 1 6 . C C 1.330 8.415 5.573 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 C . . . . . . . . . c34215_6f7o 1 . 12 . 2653 . 1 1 6 . CA C 0.740 7.064 5.978 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 CA . . . . . . . . . c34215_6f7o 1 . 12 . 2654 . 1 1 6 . CB C -0.298 6.617 4.898 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 CB . . . . . . . . . c34215_6f7o 1 . 12 . 2655 . 1 1 6 . CB1 C 1.821 5.944 6.082 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 CB1 . . . . . . . . . c34215_6f7o 1 . 12 . 2656 . 1 1 6 . CD C -0.008 7.753 2.584 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 CD . . . . . . . . . c34215_6f7o 1 . 12 . 2657 . 1 1 6 . CE C 0.778 7.689 1.291 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 CE . . . . . . . . . c34215_6f7o 1 . 12 . 2658 . 1 1 6 . CG C 0.250 6.498 3.445 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 CG . . . . . . . . . c34215_6f7o 1 . 12 . 2659 . 1 1 6 . HB H -0.705 5.646 5.196 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HB . . . . . . . . . c34215_6f7o 1 . 12 . 2660 . 1 1 6 . HB1 H 1.349 4.974 6.257 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HB1 . . . . . . . . . c34215_6f7o 1 . 12 . 2661 . 1 1 6 . HB1A H 2.431 5.867 5.185 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HB1A . . . . . . . . . c34215_6f7o 1 . 12 . 2662 . 1 1 6 . HB1B H 2.510 6.113 6.906 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HB1B . . . . . . . . . c34215_6f7o 1 . 12 . 2663 . 1 1 6 . HBA H -1.146 7.298 4.878 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HBA . . . . . . . . . c34215_6f7o 1 . 12 . 2664 . 1 1 6 . HD H -1.075 7.802 2.354 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HD . . . . . . . . . c34215_6f7o 1 . 12 . 2665 . 1 1 6 . HDA H 0.232 8.651 3.144 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HDA . . . . . . . . . c34215_6f7o 1 . 12 . 2666 . 1 1 6 . HE H 0.539 6.838 0.657 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HE . . . . . . . . . c34215_6f7o 1 . 12 . 2667 . 1 1 6 . HG H 1.317 6.279 3.435 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HG . . . . . . . . . c34215_6f7o 1 . 12 . 2668 . 1 1 6 . HGA H -0.236 5.647 2.961 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HGA . . . . . . . . . c34215_6f7o 1 . 12 . 2669 . 1 1 6 . HN H -0.886 7.027 7.379 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HN . . . . . . . . . c34215_6f7o 1 . 12 . 2670 . 1 1 6 . N N 0.096 7.248 7.304 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 N . . . . . . . . . c34215_6f7o 1 . 12 . 2671 . 1 1 6 . O O 2.504 8.585 5.311 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 O . . . . . . . . . c34215_6f7o 1 . 12 . 2672 . 1 1 7 ARG C C 1.930 11.338 6.303 . . . 1.0 . . . . . . . . . . . . A . 7 ARG C . . . . . . . . . c34215_6f7o 1 . 12 . 2673 . 1 1 7 ARG CA C 0.823 10.844 5.374 . . . 1.0 . . . . . . . . . . . . A . 7 ARG CA . . . . . . . . . c34215_6f7o 1 . 12 . 2674 . 1 1 7 ARG CB C -0.405 11.745 5.502 . . . 1.0 . . . . . . . . . . . . A . 7 ARG CB . . . . . . . . . c34215_6f7o 1 . 12 . 2675 . 1 1 7 ARG CD C -1.438 14.004 5.113 . . . 1.0 . . . . . . . . . . . . A . 7 ARG CD . . . . . . . . . c34215_6f7o 1 . 12 . 2676 . 1 1 7 ARG CG C -0.200 13.140 4.930 . . . 1.0 . . . . . . . . . . . . A . 7 ARG CG . . . . . . . . . c34215_6f7o 1 . 12 . 2677 . 1 1 7 ARG CZ C -3.087 15.109 3.664 . . . 1.0 . . . . . . . . . . . . A . 7 ARG CZ . . . . . . . . . c34215_6f7o 1 . 12 . 2678 . 1 1 7 ARG H H -0.449 9.251 5.937 . . . 1.0 . . . . . . . . . . . . A . 7 ARG H . . . . . . . . . c34215_6f7o 1 . 12 . 2679 . 1 1 7 ARG HA H 1.182 10.881 4.356 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HA . . . . . . . . . c34215_6f7o 1 . 12 . 2680 . 1 1 7 ARG HB2 H -1.232 11.286 4.981 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HB2 . . . . . . . . . c34215_6f7o 1 . 12 . 2681 . 1 1 7 ARG HB3 H -0.658 11.843 6.546 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HB3 . . . . . . . . . c34215_6f7o 1 . 12 . 2682 . 1 1 7 ARG HD2 H -2.074 13.546 5.855 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HD2 . . . . . . . . . c34215_6f7o 1 . 12 . 2683 . 1 1 7 ARG HD3 H -1.130 14.981 5.456 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HD3 . . . . . . . . . c34215_6f7o 1 . 12 . 2684 . 1 1 7 ARG HE H -2.017 13.505 3.155 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HE . . . . . . . . . c34215_6f7o 1 . 12 . 2685 . 1 1 7 ARG HG2 H 0.630 13.608 5.438 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HG2 . . . . . . . . . c34215_6f7o 1 . 12 . 2686 . 1 1 7 ARG HG3 H 0.020 13.059 3.877 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HG3 . . . . . . . . . c34215_6f7o 1 . 12 . 2687 . 1 1 7 ARG HH11 H -4.018 16.720 4.455 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HH11 . . . . . . . . . c34215_6f7o 1 . 12 . 2688 . 1 1 7 ARG HH12 H -2.858 15.951 5.486 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HH12 . . . . . . . . . c34215_6f7o 1 . 12 . 2689 . 1 1 7 ARG HH21 H -4.408 15.898 2.352 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HH21 . . . . . . . . . c34215_6f7o 1 . 12 . 2690 . 1 1 7 ARG HH22 H -3.542 14.510 1.788 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HH22 . . . . . . . . . c34215_6f7o 1 . 12 . 2691 . 1 1 7 ARG N N 0.472 9.463 5.675 . . . 1.0 . . . . . . . . . . . . A . 7 ARG N . . . . . . . . . c34215_6f7o 1 . 12 . 2692 . 1 1 7 ARG NE N -2.189 14.152 3.869 . . . 1.0 . . . . . . . . . . . . A . 7 ARG NE . . . . . . . . . c34215_6f7o 1 . 12 . 2693 . 1 1 7 ARG NH1 N -3.344 16.000 4.612 . . . 1.0 . . . . . . . . . . . . A . 7 ARG NH1 . . . . . . . . . c34215_6f7o 1 . 12 . 2694 . 1 1 7 ARG NH2 N -3.732 15.177 2.506 . . . 1.0 . . . . . . . . . . . . A . 7 ARG NH2 . . . . . . . . . c34215_6f7o 1 . 12 . 2695 . 1 1 7 ARG O O 2.907 11.939 5.857 . . . 1.0 . . . . . . . . . . . . A . 7 ARG O . . . . . . . . . c34215_6f7o 1 . 12 . 2696 . 1 1 8 LYS C C 4.151 11.045 8.189 . . . 1.0 . . . . . . . . . . . . A . 8 LYS C . . . . . . . . . c34215_6f7o 1 . 12 . 2697 . 1 1 8 LYS CA C 2.751 11.497 8.590 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CA . . . . . . . . . c34215_6f7o 1 . 12 . 2698 . 1 1 8 LYS CB C 2.392 10.929 9.963 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CB . . . . . . . . . c34215_6f7o 1 . 12 . 2699 . 1 1 8 LYS CD C 4.181 12.280 11.097 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CD . . . . . . . . . c34215_6f7o 1 . 12 . 2700 . 1 1 8 LYS CE C 4.376 12.635 12.563 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CE . . . . . . . . . c34215_6f7o 1 . 12 . 2701 . 1 1 8 LYS CG C 3.559 10.903 10.935 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CG . . . . . . . . . c34215_6f7o 1 . 12 . 2702 . 1 1 8 LYS H H 0.967 10.596 7.889 . . . 1.0 . . . . . . . . . . . . A . 8 LYS H . . . . . . . . . c34215_6f7o 1 . 12 . 2703 . 1 1 8 LYS HA H 2.735 12.575 8.639 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HA . . . . . . . . . c34215_6f7o 1 . 12 . 2704 . 1 1 8 LYS HB2 H 1.605 11.529 10.394 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB2 . . . . . . . . . c34215_6f7o 1 . 12 . 2705 . 1 1 8 LYS HB3 H 2.034 9.917 9.838 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB3 . . . . . . . . . c34215_6f7o 1 . 12 . 2706 . 1 1 8 LYS HD2 H 5.140 12.294 10.604 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD2 . . . . . . . . . c34215_6f7o 1 . 12 . 2707 . 1 1 8 LYS HD3 H 3.530 13.015 10.642 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD3 . . . . . . . . . c34215_6f7o 1 . 12 . 2708 . 1 1 8 LYS HE2 H 3.462 13.064 12.940 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE2 . . . . . . . . . c34215_6f7o 1 . 12 . 2709 . 1 1 8 LYS HE3 H 4.605 11.733 13.110 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE3 . . . . . . . . . c34215_6f7o 1 . 12 . 2710 . 1 1 8 LYS HG2 H 3.207 10.564 11.898 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG2 . . . . . . . . . c34215_6f7o 1 . 12 . 2711 . 1 1 8 LYS HG3 H 4.311 10.221 10.563 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG3 . . . . . . . . . c34215_6f7o 1 . 12 . 2712 . 1 1 8 LYS HZ1 H 6.396 13.113 12.792 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ1 . . . . . . . . . c34215_6f7o 1 . 12 . 2713 . 1 1 8 LYS HZ2 H 5.351 14.132 13.644 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ2 . . . . . . . . . c34215_6f7o 1 . 12 . 2714 . 1 1 8 LYS HZ3 H 5.504 14.290 11.967 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ3 . . . . . . . . . c34215_6f7o 1 . 12 . 2715 . 1 1 8 LYS N N 1.768 11.080 7.595 . . . 1.0 . . . . . . . . . . . . A . 8 LYS N . . . . . . . . . c34215_6f7o 1 . 12 . 2716 . 1 1 8 LYS NZ N 5.485 13.611 12.755 . . . 1.0 . . . . . . . . . . . . A . 8 LYS NZ . . . . . . . . . c34215_6f7o 1 . 12 . 2717 . 1 1 8 LYS O O 5.109 11.818 8.258 . . . 1.0 . . . . . . . . . . . . A . 8 LYS O . . . . . . . . . c34215_6f7o 1 . 12 . 2718 . 1 1 9 LEU C C 6.002 9.831 6.030 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . c34215_6f7o 1 . 12 . 2719 . 1 1 9 LEU CA C 5.551 9.234 7.360 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . c34215_6f7o 1 . 12 . 2720 . 1 1 9 LEU CB C 5.456 7.711 7.242 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . c34215_6f7o 1 . 12 . 2721 . 1 1 9 LEU CD1 C 5.365 5.555 8.515 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . c34215_6f7o 1 . 12 . 2722 . 1 1 9 LEU CD2 C 7.547 6.744 8.233 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . c34215_6f7o 1 . 12 . 2723 . 1 1 9 LEU CG C 6.045 6.910 8.404 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . c34215_6f7o 1 . 12 . 2724 . 1 1 9 LEU H H 3.469 9.222 7.738 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . c34215_6f7o 1 . 12 . 2725 . 1 1 9 LEU HA H 6.280 9.484 8.116 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . c34215_6f7o 1 . 12 . 2726 . 1 1 9 LEU HB2 H 4.415 7.451 7.154 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . c34215_6f7o 1 . 12 . 2727 . 1 1 9 LEU HB3 H 5.977 7.417 6.341 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . c34215_6f7o 1 . 12 . 2728 . 1 1 9 LEU HD11 H 5.117 5.358 9.549 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . c34215_6f7o 1 . 12 . 2729 . 1 1 9 LEU HD12 H 6.032 4.789 8.153 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . c34215_6f7o 1 . 12 . 2730 . 1 1 9 LEU HD13 H 4.462 5.555 7.923 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . c34215_6f7o 1 . 12 . 2731 . 1 1 9 LEU HD21 H 8.050 7.622 8.617 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . c34215_6f7o 1 . 12 . 2732 . 1 1 9 LEU HD22 H 7.777 6.626 7.185 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . c34215_6f7o 1 . 12 . 2733 . 1 1 9 LEU HD23 H 7.877 5.873 8.778 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . c34215_6f7o 1 . 12 . 2734 . 1 1 9 LEU HG H 5.869 7.448 9.328 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . c34215_6f7o 1 . 12 . 2735 . 1 1 9 LEU N N 4.267 9.790 7.770 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . c34215_6f7o 1 . 12 . 2736 . 1 1 9 LEU O O 7.204 9.952 5.802 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . c34215_6f7o 1 . 12 . 2737 . 1 1 10 . C C 5.955 12.155 4.018 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 C . . . . . . . . . c34215_6f7o 1 . 12 . 2738 . 1 1 10 . CA C 5.416 10.737 3.746 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 CA . . . . . . . . . c34215_6f7o 1 . 12 . 2739 . 1 1 10 . CB C 4.131 10.886 2.873 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 CB . . . . . . . . . c34215_6f7o 1 . 12 . 2740 . 1 1 10 . CB1 C 6.467 9.929 2.930 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 CB1 . . . . . . . . . c34215_6f7o 1 . 12 . 2741 . 1 1 10 . CD C 2.220 9.792 1.567 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 CD . . . . . . . . . c34215_6f7o 1 . 12 . 2742 . 1 1 10 . CE C 1.729 8.536 0.872 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 CE . . . . . . . . . c34215_6f7o 1 . 12 . 2743 . 1 1 10 . CG C 3.584 9.569 2.255 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 CG . . . . . . . . . c34215_6f7o 1 . 12 . 2744 . 1 1 10 . HB H 3.342 11.355 3.463 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HB . . . . . . . . . c34215_6f7o 1 . 12 . 2745 . 1 1 10 . HB1 H 7.460 9.980 3.376 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HB1 . . . . . . . . . c34215_6f7o 1 . 12 . 2746 . 1 1 10 . HB1A H 6.192 8.875 2.865 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HB1A . . . . . . . . . c34215_6f7o 1 . 12 . 2747 . 1 1 10 . HB1B H 6.555 10.325 1.913 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HB1B . . . . . . . . . c34215_6f7o 1 . 12 . 2748 . 1 1 10 . HBA H 4.343 11.576 2.052 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HBA . . . . . . . . . c34215_6f7o 1 . 12 . 2749 . 1 1 10 . HD H 1.496 10.158 2.291 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HD . . . . . . . . . c34215_6f7o 1 . 12 . 2750 . 1 1 10 . HDA H 2.326 10.580 0.817 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HDA . . . . . . . . . c34215_6f7o 1 . 12 . 2751 . 1 1 10 . HE H 2.204 8.334 -0.084 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HE . . . . . . . . . c34215_6f7o 1 . 12 . 2752 . 1 1 10 . HG H 4.285 9.194 1.506 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HG . . . . . . . . . c34215_6f7o 1 . 12 . 2753 . 1 1 10 . HGA H 3.488 8.796 3.018 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HGA . . . . . . . . . c34215_6f7o 1 . 12 . 2754 . 1 1 10 . HN H 4.134 9.865 5.232 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HN . . . . . . . . . c34215_6f7o 1 . 12 . 2755 . 1 1 10 . N N 5.102 10.063 5.044 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 N . . . . . . . . . c34215_6f7o 1 . 12 . 2756 . 1 1 10 . O O 6.853 12.682 3.397 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 O . . . . . . . . . c34215_6f7o 1 . 12 . 2757 . 1 1 11 GLN C C 7.179 14.005 6.205 . . . 1.0 . . . . . . . . . . . . A . 11 GLN C . . . . . . . . . c34215_6f7o 1 . 12 . 2758 . 1 1 11 GLN CA C 5.817 14.118 5.532 . . . 1.0 . . . . . . . . . . . . A . 11 GLN CA . . . . . . . . . c34215_6f7o 1 . 12 . 2759 . 1 1 11 GLN CB C 4.793 14.689 6.515 . . . 1.0 . . . . . . . . . . . . A . 11 GLN CB . . . . . . . . . c34215_6f7o 1 . 12 . 2760 . 1 1 11 GLN CD C 5.298 16.945 7.533 . . . 1.0 . . . . . . . . . . . . A . 11 GLN CD . . . . . . . . . c34215_6f7o 1 . 12 . 2761 . 1 1 11 GLN CG C 4.620 16.196 6.405 . . . 1.0 . . . . . . . . . . . . A . 11 GLN CG . . . . . . . . . c34215_6f7o 1 . 12 . 2762 . 1 1 11 GLN H H 4.522 12.452 5.354 . . . 1.0 . . . . . . . . . . . . A . 11 GLN H . . . . . . . . . c34215_6f7o 1 . 12 . 2763 . 1 1 11 GLN HA H 5.900 14.784 4.686 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HA . . . . . . . . . c34215_6f7o 1 . 12 . 2764 . 1 1 11 GLN HB2 H 3.838 14.225 6.332 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HB2 . . . . . . . . . c34215_6f7o 1 . 12 . 2765 . 1 1 11 GLN HB3 H 5.110 14.458 7.521 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HB3 . . . . . . . . . c34215_6f7o 1 . 12 . 2766 . 1 1 11 GLN HE21 H 6.832 17.392 6.349 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HE21 . . . . . . . . . c34215_6f7o 1 . 12 . 2767 . 1 1 11 GLN HE22 H 6.933 17.987 7.970 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HE22 . . . . . . . . . c34215_6f7o 1 . 12 . 2768 . 1 1 11 GLN HG2 H 5.044 16.527 5.468 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HG2 . . . . . . . . . c34215_6f7o 1 . 12 . 2769 . 1 1 11 GLN HG3 H 3.564 16.426 6.422 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HG3 . . . . . . . . . c34215_6f7o 1 . 12 . 2770 . 1 1 11 GLN N N 5.372 12.821 5.037 . . . 1.0 . . . . . . . . . . . . A . 11 GLN N . . . . . . . . . c34215_6f7o 1 . 12 . 2771 . 1 1 11 GLN NE2 N 6.474 17.498 7.257 . . . 1.0 . . . . . . . . . . . . A . 11 GLN NE2 . . . . . . . . . c34215_6f7o 1 . 12 . 2772 . 1 1 11 GLN O O 7.914 14.985 6.314 . . . 1.0 . . . . . . . . . . . . A . 11 GLN O . . . . . . . . . c34215_6f7o 1 . 12 . 2773 . 1 1 11 GLN OE1 O 4.771 17.028 8.643 . . . 1.0 . . . . . . . . . . . . A . 11 GLN OE1 . . . . . . . . . c34215_6f7o 1 . 12 . 2774 . 1 1 12 ALA C C 9.931 12.514 6.310 . . . 1.0 . . . . . . . . . . . . A . 12 ALA C . . . . . . . . . c34215_6f7o 1 . 12 . 2775 . 1 1 12 ALA CA C 8.788 12.558 7.320 . . . 1.0 . . . . . . . . . . . . A . 12 ALA CA . . . . . . . . . c34215_6f7o 1 . 12 . 2776 . 1 1 12 ALA CB C 8.733 11.262 8.114 . . . 1.0 . . . . . . . . . . . . A . 12 ALA CB . . . . . . . . . c34215_6f7o 1 . 12 . 2777 . 1 1 12 ALA H H 6.885 12.055 6.542 . . . 1.0 . . . . . . . . . . . . A . 12 ALA H . . . . . . . . . c34215_6f7o 1 . 12 . 2778 . 1 1 12 ALA HA H 8.964 13.370 8.012 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HA . . . . . . . . . c34215_6f7o 1 . 12 . 2779 . 1 1 12 ALA HB1 H 7.810 11.221 8.673 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB1 . . . . . . . . . c34215_6f7o 1 . 12 . 2780 . 1 1 12 ALA HB2 H 8.781 10.423 7.438 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB2 . . . . . . . . . c34215_6f7o 1 . 12 . 2781 . 1 1 12 ALA HB3 H 9.569 11.221 8.796 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB3 . . . . . . . . . c34215_6f7o 1 . 12 . 2782 . 1 1 12 ALA N N 7.513 12.800 6.658 . . . 1.0 . . . . . . . . . . . . A . 12 ALA N . . . . . . . . . c34215_6f7o 1 . 12 . 2783 . 1 1 12 ALA O O 11.037 12.978 6.590 . . . 1.0 . . . . . . . . . . . . A . 12 ALA O . . . . . . . . . c34215_6f7o 1 . 12 . 2784 . 1 1 13 ALA C C 10.086 12.257 2.735 . . . 1.0 . . . . . . . . . . . . A . 13 ALA C . . . . . . . . . c34215_6f7o 1 . 12 . 2785 . 1 1 13 ALA CA C 10.662 11.851 4.087 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CA . . . . . . . . . c34215_6f7o 1 . 12 . 2786 . 1 1 13 ALA CB C 11.216 10.434 4.024 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CB . . . . . . . . . c34215_6f7o 1 . 12 . 2787 . 1 1 13 ALA H H 8.759 11.601 4.976 . . . 1.0 . . . . . . . . . . . . A . 13 ALA H . . . . . . . . . c34215_6f7o 1 . 12 . 2788 . 1 1 13 ALA HA H 11.475 12.517 4.338 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HA . . . . . . . . . c34215_6f7o 1 . 12 . 2789 . 1 1 13 ALA HB1 H 10.559 9.818 3.429 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB1 . . . . . . . . . c34215_6f7o 1 . 12 . 2790 . 1 1 13 ALA HB2 H 12.198 10.452 3.574 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB2 . . . . . . . . . c34215_6f7o 1 . 12 . 2791 . 1 1 13 ALA HB3 H 11.284 10.029 5.023 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB3 . . . . . . . . . c34215_6f7o 1 . 12 . 2792 . 1 1 13 ALA N N 9.656 11.953 5.140 . . . 1.0 . . . . . . . . . . . . A . 13 ALA N . . . . . . . . . c34215_6f7o 1 . 12 . 2793 . 1 1 13 ALA O O 9.163 11.621 2.229 . . . 1.0 . . . . . . . . . . . . A . 13 ALA O . . . . . . . . . c34215_6f7o 1 . 12 . 2794 . 1 1 14 ARG C C 8.686 14.129 0.904 . . . 1.0 . . . . . . . . . . . . A . 14 ARG C . . . . . . . . . c34215_6f7o 1 . 12 . 2795 . 1 1 14 ARG CA C 10.176 13.809 0.864 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CA . . . . . . . . . c34215_6f7o 1 . 12 . 2796 . 1 1 14 ARG CB C 10.460 12.776 -0.229 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CB . . . . . . . . . c34215_6f7o 1 . 12 . 2797 . 1 1 14 ARG CD C 10.056 12.240 -2.649 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CD . . . . . . . . . c34215_6f7o 1 . 12 . 2798 . 1 1 14 ARG CG C 10.352 13.334 -1.638 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CG . . . . . . . . . c34215_6f7o 1 . 12 . 2799 . 1 1 14 ARG CZ C 11.110 11.217 -4.622 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CZ . . . . . . . . . c34215_6f7o 1 . 12 . 2800 . 1 1 14 ARG H H 11.373 13.782 2.610 . . . 1.0 . . . . . . . . . . . . A . 14 ARG H . . . . . . . . . c34215_6f7o 1 . 12 . 2801 . 1 1 14 ARG HA H 10.721 14.715 0.640 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HA . . . . . . . . . c34215_6f7o 1 . 12 . 2802 . 1 1 14 ARG HB2 H 11.461 12.389 -0.093 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB2 . . . . . . . . . c34215_6f7o 1 . 12 . 2803 . 1 1 14 ARG HB3 H 9.756 11.966 -0.131 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB3 . . . . . . . . . c34215_6f7o 1 . 12 . 2804 . 1 1 14 ARG HD2 H 9.873 11.318 -2.120 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD2 . . . . . . . . . c34215_6f7o 1 . 12 . 2805 . 1 1 14 ARG HD3 H 9.174 12.514 -3.209 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD3 . . . . . . . . . c34215_6f7o 1 . 12 . 2806 . 1 1 14 ARG HE H 11.988 12.544 -3.419 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HE . . . . . . . . . c34215_6f7o 1 . 12 . 2807 . 1 1 14 ARG HG2 H 9.555 14.062 -1.667 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG2 . . . . . . . . . c34215_6f7o 1 . 12 . 2808 . 1 1 14 ARG HG3 H 11.287 13.812 -1.898 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG3 . . . . . . . . . c34215_6f7o 1 . 12 . 2809 . 1 1 14 ARG HH11 H 9.968 9.902 -5.650 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH11 . . . . . . . . . c34215_6f7o 1 . 12 . 2810 . 1 1 14 ARG HH12 H 9.214 10.615 -4.262 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH12 . . . . . . . . . c34215_6f7o 1 . 12 . 2811 . 1 1 14 ARG HH21 H 12.120 10.469 -6.205 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH21 . . . . . . . . . c34215_6f7o 1 . 12 . 2812 . 1 1 14 ARG HH22 H 12.991 11.611 -5.243 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH22 . . . . . . . . . c34215_6f7o 1 . 12 . 2813 . 1 1 14 ARG N N 10.638 13.318 2.157 . . . 1.0 . . . . . . . . . . . . A . 14 ARG N . . . . . . . . . c34215_6f7o 1 . 12 . 2814 . 1 1 14 ARG NE N 11.164 12.040 -3.580 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NE . . . . . . . . . c34215_6f7o 1 . 12 . 2815 . 1 1 14 ARG NH1 N 10.007 10.522 -4.863 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH1 . . . . . . . . . c34215_6f7o 1 . 12 . 2816 . 1 1 14 ARG NH2 N 12.159 11.088 -5.422 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH2 . . . . . . . . . c34215_6f7o 1 . 12 . 2817 . 1 1 14 ARG O O 7.882 13.308 0.464 . . . 1.0 . . . . . . . . . . . . A . 14 ARG O . . . . . . . . . c34215_6f7o 1 . 12 . 2818 . 1 1 15 NH2 HN1 H 9.064 15.918 1.762 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 HN1 . . . . . . . . . c34215_6f7o 1 . 12 . 2819 . 1 1 15 NH2 HN2 H 7.391 15.568 1.479 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 HN2 . . . . . . . . . c34215_6f7o 1 . 12 . 2820 . 1 1 15 NH2 N N 8.353 15.300 1.423 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 N . . . . . . . . . c34215_6f7o 1 . 13 . 2821 . 1 1 1 ACE C C -4.842 2.692 10.926 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . c34215_6f7o 1 . 13 . 2822 . 1 1 1 ACE CH3 C -3.907 1.773 11.633 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . c34215_6f7o 1 . 13 . 2823 . 1 1 1 ACE H1 H -4.131 0.743 11.359 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . c34215_6f7o 1 . 13 . 2824 . 1 1 1 ACE H2 H -2.883 2.011 11.351 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . c34215_6f7o 1 . 13 . 2825 . 1 1 1 ACE H3 H -4.025 1.895 12.712 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . c34215_6f7o 1 . 13 . 2826 . 1 1 1 ACE O O -6.041 2.436 10.803 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . c34215_6f7o 1 . 13 . 2827 . 1 1 2 ASP C C -4.247 5.428 8.606 . . . 1.0 . . . . . . . . . . . . A . 2 ASP C . . . . . . . . . c34215_6f7o 1 . 13 . 2828 . 1 1 2 ASP CA C -5.070 4.796 9.724 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CA . . . . . . . . . c34215_6f7o 1 . 13 . 2829 . 1 1 2 ASP CB C -5.562 5.878 10.685 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CB . . . . . . . . . c34215_6f7o 1 . 13 . 2830 . 1 1 2 ASP CG C -6.921 5.553 11.275 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CG . . . . . . . . . c34215_6f7o 1 . 13 . 2831 . 1 1 2 ASP H H -3.327 3.946 10.574 . . . 1.0 . . . . . . . . . . . . A . 2 ASP H . . . . . . . . . c34215_6f7o 1 . 13 . 2832 . 1 1 2 ASP HA H -5.923 4.296 9.290 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HA . . . . . . . . . c34215_6f7o 1 . 13 . 2833 . 1 1 2 ASP HB2 H -4.855 5.981 11.495 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HB2 . . . . . . . . . c34215_6f7o 1 . 13 . 2834 . 1 1 2 ASP HB3 H -5.636 6.815 10.155 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HB3 . . . . . . . . . c34215_6f7o 1 . 13 . 2835 . 1 1 2 ASP N N -4.286 3.797 10.443 . . . 1.0 . . . . . . . . . . . . A . 2 ASP N . . . . . . . . . c34215_6f7o 1 . 13 . 2836 . 1 1 2 ASP O O -3.018 5.372 8.597 . . . 1.0 . . . . . . . . . . . . A . 2 ASP O . . . . . . . . . c34215_6f7o 1 . 13 . 2837 . 1 1 2 ASP OD1 O -7.899 5.473 10.504 . . . 1.0 . . . . . . . . . . . . A . 2 ASP OD1 . . . . . . . . . c34215_6f7o 1 . 13 . 2838 . 1 1 2 ASP OD2 O -7.005 5.379 12.507 . . . 1.0 . . . . . . . . . . . . A . 2 ASP OD2 . . . . . . . . . c34215_6f7o 1 . 13 . 2839 . 1 1 3 PRO C C -3.546 7.965 6.898 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . c34215_6f7o 1 . 13 . 2840 . 1 1 3 PRO CA C -4.295 6.696 6.493 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . c34215_6f7o 1 . 13 . 2841 . 1 1 3 PRO CB C -5.467 7.040 5.571 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . c34215_6f7o 1 . 13 . 2842 . 1 1 3 PRO CD C -6.407 6.148 7.580 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . c34215_6f7o 1 . 13 . 2843 . 1 1 3 PRO CG C -6.645 7.143 6.478 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . c34215_6f7o 1 . 13 . 2844 . 1 1 3 PRO HA H -3.617 6.028 5.984 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . c34215_6f7o 1 . 13 . 2845 . 1 1 3 PRO HB2 H -5.272 7.977 5.069 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . c34215_6f7o 1 . 13 . 2846 . 1 1 3 PRO HB3 H -5.598 6.252 4.844 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . c34215_6f7o 1 . 13 . 2847 . 1 1 3 PRO HD2 H -6.803 6.517 8.514 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . c34215_6f7o 1 . 13 . 2848 . 1 1 3 PRO HD3 H -6.853 5.196 7.329 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . c34215_6f7o 1 . 13 . 2849 . 1 1 3 PRO HG2 H -6.709 8.142 6.885 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . c34215_6f7o 1 . 13 . 2850 . 1 1 3 PRO HG3 H -7.547 6.897 5.938 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . c34215_6f7o 1 . 13 . 2851 . 1 1 3 PRO N N -4.940 6.043 7.636 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . c34215_6f7o 1 . 13 . 2852 . 1 1 3 PRO O O -2.666 8.431 6.179 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . c34215_6f7o 1 . 13 . 2853 . 1 1 4 GLN C C -1.780 9.500 8.790 . . . 1.0 . . . . . . . . . . . . A . 4 GLN C . . . . . . . . . c34215_6f7o 1 . 13 . 2854 . 1 1 4 GLN CA C -3.268 9.726 8.553 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CA . . . . . . . . . c34215_6f7o 1 . 13 . 2855 . 1 1 4 GLN CB C -3.941 10.186 9.849 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CB . . . . . . . . . c34215_6f7o 1 . 13 . 2856 . 1 1 4 GLN CD C -5.239 12.311 9.435 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CD . . . . . . . . . c34215_6f7o 1 . 13 . 2857 . 1 1 4 GLN CG C -3.982 11.696 10.010 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CG . . . . . . . . . c34215_6f7o 1 . 13 . 2858 . 1 1 4 GLN H H -4.616 8.095 8.583 . . . 1.0 . . . . . . . . . . . . A . 4 GLN H . . . . . . . . . c34215_6f7o 1 . 13 . 2859 . 1 1 4 GLN HA H -3.387 10.495 7.805 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HA . . . . . . . . . c34215_6f7o 1 . 13 . 2860 . 1 1 4 GLN HB2 H -4.955 9.816 9.865 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HB2 . . . . . . . . . c34215_6f7o 1 . 13 . 2861 . 1 1 4 GLN HB3 H -3.400 9.769 10.685 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HB3 . . . . . . . . . c34215_6f7o 1 . 13 . 2862 . 1 1 4 GLN HE21 H -6.358 11.297 10.728 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HE21 . . . . . . . . . c34215_6f7o 1 . 13 . 2863 . 1 1 4 GLN HE22 H -7.218 12.323 9.634 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HE22 . . . . . . . . . c34215_6f7o 1 . 13 . 2864 . 1 1 4 GLN HG2 H -3.932 11.932 11.062 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HG2 . . . . . . . . . c34215_6f7o 1 . 13 . 2865 . 1 1 4 GLN HG3 H -3.124 12.122 9.506 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HG3 . . . . . . . . . c34215_6f7o 1 . 13 . 2866 . 1 1 4 GLN N N -3.906 8.514 8.054 . . . 1.0 . . . . . . . . . . . . A . 4 GLN N . . . . . . . . . c34215_6f7o 1 . 13 . 2867 . 1 1 4 GLN NE2 N -6.388 11.939 9.987 . . . 1.0 . . . . . . . . . . . . A . 4 GLN NE2 . . . . . . . . . c34215_6f7o 1 . 13 . 2868 . 1 1 4 GLN O O -0.949 10.334 8.427 . . . 1.0 . . . . . . . . . . . . A . 4 GLN O . . . . . . . . . c34215_6f7o 1 . 13 . 2869 . 1 1 4 GLN OE1 O -5.183 13.113 8.502 . . . 1.0 . . . . . . . . . . . . A . 4 GLN OE1 . . . . . . . . . c34215_6f7o 1 . 13 . 2870 . 1 1 5 HIS C C 0.720 7.794 8.398 . . . 1.0 . . . . . . . . . . . . A . 5 HIS C . . . . . . . . . c34215_6f7o 1 . 13 . 2871 . 1 1 5 HIS CA C -0.057 8.032 9.687 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CA . . . . . . . . . c34215_6f7o 1 . 13 . 2872 . 1 1 5 HIS CB C 0.018 6.792 10.578 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CB . . . . . . . . . c34215_6f7o 1 . 13 . 2873 . 1 1 5 HIS CD2 C 1.083 6.738 12.942 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CD2 . . . . . . . . . c34215_6f7o 1 . 13 . 2874 . 1 1 5 HIS CE1 C 3.172 7.048 12.361 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CE1 . . . . . . . . . c34215_6f7o 1 . 13 . 2875 . 1 1 5 HIS CG C 1.116 6.850 11.595 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CG . . . . . . . . . c34215_6f7o 1 . 13 . 2876 . 1 1 5 HIS H H -2.154 7.745 9.668 . . . 1.0 . . . . . . . . . . . . A . 5 HIS H . . . . . . . . . c34215_6f7o 1 . 13 . 2877 . 1 1 5 HIS HA H 0.385 8.867 10.210 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HA . . . . . . . . . c34215_6f7o 1 . 13 . 2878 . 1 1 5 HIS HB2 H -0.918 6.681 11.107 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB2 . . . . . . . . . c34215_6f7o 1 . 13 . 2879 . 1 1 5 HIS HB3 H 0.181 5.922 9.960 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB3 . . . . . . . . . c34215_6f7o 1 . 13 . 2880 . 1 1 5 HIS HD1 H 2.791 7.160 10.353 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD1 . . . . . . . . . c34215_6f7o 1 . 13 . 2881 . 1 1 5 HIS HD2 H 0.203 6.579 13.551 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD2 . . . . . . . . . c34215_6f7o 1 . 13 . 2882 . 1 1 5 HIS HE1 H 4.242 7.179 12.406 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HE1 . . . . . . . . . c34215_6f7o 1 . 13 . 2883 . 1 1 5 HIS N N -1.448 8.369 9.402 . . . 1.0 . . . . . . . . . . . . A . 5 HIS N . . . . . . . . . c34215_6f7o 1 . 13 . 2884 . 1 1 5 HIS ND1 N 2.440 7.044 11.260 . . . 1.0 . . . . . . . . . . . . A . 5 HIS ND1 . . . . . . . . . c34215_6f7o 1 . 13 . 2885 . 1 1 5 HIS NE2 N 2.372 6.866 13.395 . . . 1.0 . . . . . . . . . . . . A . 5 HIS NE2 . . . . . . . . . c34215_6f7o 1 . 13 . 2886 . 1 1 5 HIS O O 1.941 7.949 8.393 . . . 1.0 . . . . . . . . . . . . A . 5 HIS O . . . . . . . . . c34215_6f7o 1 . 13 . 2887 . 1 1 6 . C C 1.317 8.436 5.586 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 C . . . . . . . . . c34215_6f7o 1 . 13 . 2888 . 1 1 6 . CA C 0.757 7.069 5.999 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 CA . . . . . . . . . c34215_6f7o 1 . 13 . 2889 . 1 1 6 . CB C -0.246 6.580 4.903 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 CB . . . . . . . . . c34215_6f7o 1 . 13 . 2890 . 1 1 6 . CB1 C 1.866 5.968 6.122 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 CB1 . . . . . . . . . c34215_6f7o 1 . 13 . 2891 . 1 1 6 . CD C -0.038 7.719 2.580 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 CD . . . . . . . . . c34215_6f7o 1 . 13 . 2892 . 1 1 6 . CE C 0.745 7.695 1.282 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 CE . . . . . . . . . c34215_6f7o 1 . 13 . 2893 . 1 1 6 . CG C 0.332 6.502 3.459 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 CG . . . . . . . . . c34215_6f7o 1 . 13 . 2894 . 1 1 6 . HB H -0.615 5.592 5.186 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HB . . . . . . . . . c34215_6f7o 1 . 13 . 2895 . 1 1 6 . HB1 H 2.481 5.891 5.224 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HB1 . . . . . . . . . c34215_6f7o 1 . 13 . 2896 . 1 1 6 . HB1A H 2.554 6.146 6.945 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HB1A . . . . . . . . . c34215_6f7o 1 . 13 . 2897 . 1 1 6 . HB1B H 1.413 4.989 6.300 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HB1B . . . . . . . . . c34215_6f7o 1 . 13 . 2898 . 1 1 6 . HBA H -1.120 7.222 4.872 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HBA . . . . . . . . . c34215_6f7o 1 . 13 . 2899 . 1 1 6 . HD H -1.104 7.682 2.356 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HD . . . . . . . . . c34215_6f7o 1 . 13 . 2900 . 1 1 6 . HDA H 0.133 8.642 3.126 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HDA . . . . . . . . . c34215_6f7o 1 . 13 . 2901 . 1 1 6 . HE H 0.509 6.863 0.624 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HE . . . . . . . . . c34215_6f7o 1 . 13 . 2902 . 1 1 6 . HG H 1.416 6.406 3.466 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HG . . . . . . . . . c34215_6f7o 1 . 13 . 2903 . 1 1 6 . HGA H -0.051 5.599 2.976 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HGA . . . . . . . . . c34215_6f7o 1 . 13 . 2904 . 1 1 6 . HN H -0.893 7.053 7.380 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HN . . . . . . . . . c34215_6f7o 1 . 13 . 2905 . 1 1 6 . N N 0.094 7.249 7.320 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 N . . . . . . . . . c34215_6f7o 1 . 13 . 2906 . 1 1 6 . O O 2.484 8.613 5.309 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 O . . . . . . . . . c34215_6f7o 1 . 13 . 2907 . 1 1 7 ARG C C 1.924 11.353 6.322 . . . 1.0 . . . . . . . . . . . . A . 7 ARG C . . . . . . . . . c34215_6f7o 1 . 13 . 2908 . 1 1 7 ARG CA C 0.811 10.866 5.399 . . . 1.0 . . . . . . . . . . . . A . 7 ARG CA . . . . . . . . . c34215_6f7o 1 . 13 . 2909 . 1 1 7 ARG CB C -0.415 11.772 5.538 . . . 1.0 . . . . . . . . . . . . A . 7 ARG CB . . . . . . . . . c34215_6f7o 1 . 13 . 2910 . 1 1 7 ARG CD C 0.098 14.184 6.019 . . . 1.0 . . . . . . . . . . . . A . 7 ARG CD . . . . . . . . . c34215_6f7o 1 . 13 . 2911 . 1 1 7 ARG CG C -0.219 13.157 4.943 . . . 1.0 . . . . . . . . . . . . A . 7 ARG CG . . . . . . . . . c34215_6f7o 1 . 13 . 2912 . 1 1 7 ARG CZ C -2.130 15.129 6.448 . . . 1.0 . . . . . . . . . . . . A . 7 ARG CZ . . . . . . . . . c34215_6f7o 1 . 13 . 2913 . 1 1 7 ARG H H -0.465 9.273 5.966 . . . 1.0 . . . . . . . . . . . . A . 7 ARG H . . . . . . . . . c34215_6f7o 1 . 13 . 2914 . 1 1 7 ARG HA H 1.161 10.903 4.381 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HA . . . . . . . . . c34215_6f7o 1 . 13 . 2915 . 1 1 7 ARG HB2 H -1.251 11.304 5.038 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HB2 . . . . . . . . . c34215_6f7o 1 . 13 . 2916 . 1 1 7 ARG HB3 H -0.649 11.882 6.587 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HB3 . . . . . . . . . c34215_6f7o 1 . 13 . 2917 . 1 1 7 ARG HD2 H 0.900 13.804 6.636 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HD2 . . . . . . . . . c34215_6f7o 1 . 13 . 2918 . 1 1 7 ARG HD3 H 0.416 15.099 5.541 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HD3 . . . . . . . . . c34215_6f7o 1 . 13 . 2919 . 1 1 7 ARG HE H -1.032 14.140 7.790 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HE . . . . . . . . . c34215_6f7o 1 . 13 . 2920 . 1 1 7 ARG HG2 H 0.600 13.124 4.241 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HG2 . . . . . . . . . c34215_6f7o 1 . 13 . 2921 . 1 1 7 ARG HG3 H -1.122 13.449 4.433 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HG3 . . . . . . . . . c34215_6f7o 1 . 13 . 2922 . 1 1 7 ARG HH11 H -3.000 16.076 4.891 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HH11 . . . . . . . . . c34215_6f7o 1 . 13 . 2923 . 1 1 7 ARG HH12 H -1.430 15.416 4.575 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HH12 . . . . . . . . . c34215_6f7o 1 . 13 . 2924 . 1 1 7 ARG HH21 H -3.949 15.844 6.963 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HH21 . . . . . . . . . c34215_6f7o 1 . 13 . 2925 . 1 1 7 ARG HH22 H -3.100 15.008 8.217 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HH22 . . . . . . . . . c34215_6f7o 1 . 13 . 2926 . 1 1 7 ARG N N 0.454 9.484 5.699 . . . 1.0 . . . . . . . . . . . . A . 7 ARG N . . . . . . . . . c34215_6f7o 1 . 13 . 2927 . 1 1 7 ARG NE N -1.058 14.465 6.864 . . . 1.0 . . . . . . . . . . . . A . 7 ARG NE . . . . . . . . . c34215_6f7o 1 . 13 . 2928 . 1 1 7 ARG NH1 N -2.191 15.579 5.203 . . . 1.0 . . . . . . . . . . . . A . 7 ARG NH1 . . . . . . . . . c34215_6f7o 1 . 13 . 2929 . 1 1 7 ARG NH2 N -3.143 15.344 7.277 . . . 1.0 . . . . . . . . . . . . A . 7 ARG NH2 . . . . . . . . . c34215_6f7o 1 . 13 . 2930 . 1 1 7 ARG O O 2.900 11.952 5.874 . . . 1.0 . . . . . . . . . . . . A . 7 ARG O . . . . . . . . . c34215_6f7o 1 . 13 . 2931 . 1 1 8 LYS C C 4.155 11.045 8.196 . . . 1.0 . . . . . . . . . . . . A . 8 LYS C . . . . . . . . . c34215_6f7o 1 . 13 . 2932 . 1 1 8 LYS CA C 2.759 11.500 8.605 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CA . . . . . . . . . c34215_6f7o 1 . 13 . 2933 . 1 1 8 LYS CB C 2.406 10.929 9.979 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CB . . . . . . . . . c34215_6f7o 1 . 13 . 2934 . 1 1 8 LYS CD C 4.205 12.272 11.107 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CD . . . . . . . . . c34215_6f7o 1 . 13 . 2935 . 1 1 8 LYS CE C 4.468 12.595 12.570 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CE . . . . . . . . . c34215_6f7o 1 . 13 . 2936 . 1 1 8 LYS CG C 3.579 10.896 10.943 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CG . . . . . . . . . c34215_6f7o 1 . 13 . 2937 . 1 1 8 LYS H H 0.967 10.608 7.915 . . . 1.0 . . . . . . . . . . . . A . 8 LYS H . . . . . . . . . c34215_6f7o 1 . 13 . 2938 . 1 1 8 LYS HA H 2.748 12.578 8.659 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HA . . . . . . . . . c34215_6f7o 1 . 13 . 2939 . 1 1 8 LYS HB2 H 1.624 11.529 10.416 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB2 . . . . . . . . . c34215_6f7o 1 . 13 . 2940 . 1 1 8 LYS HB3 H 2.042 9.919 9.853 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB3 . . . . . . . . . c34215_6f7o 1 . 13 . 2941 . 1 1 8 LYS HD2 H 5.142 12.295 10.571 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD2 . . . . . . . . . c34215_6f7o 1 . 13 . 2942 . 1 1 8 LYS HD3 H 3.535 13.014 10.697 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD3 . . . . . . . . . c34215_6f7o 1 . 13 . 2943 . 1 1 8 LYS HE2 H 3.711 12.116 13.172 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE2 . . . . . . . . . c34215_6f7o 1 . 13 . 2944 . 1 1 8 LYS HE3 H 5.440 12.210 12.840 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE3 . . . . . . . . . c34215_6f7o 1 . 13 . 2945 . 1 1 8 LYS HG2 H 3.231 10.555 11.909 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG2 . . . . . . . . . c34215_6f7o 1 . 13 . 2946 . 1 1 8 LYS HG3 H 4.326 10.214 10.566 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG3 . . . . . . . . . c34215_6f7o 1 . 13 . 2947 . 1 1 8 LYS HZ1 H 5.221 14.527 12.326 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ1 . . . . . . . . . c34215_6f7o 1 . 13 . 2948 . 1 1 8 LYS HZ2 H 4.531 14.247 13.846 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ2 . . . . . . . . . c34215_6f7o 1 . 13 . 2949 . 1 1 8 LYS HZ3 H 3.538 14.465 12.493 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ3 . . . . . . . . . c34215_6f7o 1 . 13 . 2950 . 1 1 8 LYS N N 1.769 11.091 7.617 . . . 1.0 . . . . . . . . . . . . A . 8 LYS N . . . . . . . . . c34215_6f7o 1 . 13 . 2951 . 1 1 8 LYS NZ N 4.437 14.063 12.826 . . . 1.0 . . . . . . . . . . . . A . 8 LYS NZ . . . . . . . . . c34215_6f7o 1 . 13 . 2952 . 1 1 8 LYS O O 5.115 11.813 8.262 . . . 1.0 . . . . . . . . . . . . A . 8 LYS O . . . . . . . . . c34215_6f7o 1 . 13 . 2953 . 1 1 9 LEU C C 5.988 9.830 6.022 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . c34215_6f7o 1 . 13 . 2954 . 1 1 9 LEU CA C 5.543 9.230 7.351 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . c34215_6f7o 1 . 13 . 2955 . 1 1 9 LEU CB C 5.443 7.710 7.230 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . c34215_6f7o 1 . 13 . 2956 . 1 1 9 LEU CD1 C 5.350 5.550 8.497 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . c34215_6f7o 1 . 13 . 2957 . 1 1 9 LEU CD2 C 7.535 6.731 8.208 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . c34215_6f7o 1 . 13 . 2958 . 1 1 9 LEU CG C 6.034 6.904 8.388 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . c34215_6f7o 1 . 13 . 2959 . 1 1 9 LEU H H 3.464 9.224 7.742 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . c34215_6f7o 1 . 13 . 2960 . 1 1 9 LEU HA H 6.275 9.477 8.106 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . c34215_6f7o 1 . 13 . 2961 . 1 1 9 LEU HB2 H 4.398 7.453 7.147 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . c34215_6f7o 1 . 13 . 2962 . 1 1 9 LEU HB3 H 5.957 7.417 6.326 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . c34215_6f7o 1 . 13 . 2963 . 1 1 9 LEU HD11 H 5.855 4.950 9.241 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . c34215_6f7o 1 . 13 . 2964 . 1 1 9 LEU HD12 H 5.390 5.047 7.542 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . c34215_6f7o 1 . 13 . 2965 . 1 1 9 LEU HD13 H 4.320 5.689 8.787 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . c34215_6f7o 1 . 13 . 2966 . 1 1 9 LEU HD21 H 7.736 6.337 7.223 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . c34215_6f7o 1 . 13 . 2967 . 1 1 9 LEU HD22 H 7.910 6.046 8.952 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . c34215_6f7o 1 . 13 . 2968 . 1 1 9 LEU HD23 H 8.022 7.689 8.318 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . c34215_6f7o 1 . 13 . 2969 . 1 1 9 LEU HG H 5.865 7.438 9.313 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . c34215_6f7o 1 . 13 . 2970 . 1 1 9 LEU N N 4.264 9.789 7.773 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . c34215_6f7o 1 . 13 . 2971 . 1 1 9 LEU O O 7.190 9.951 5.788 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . c34215_6f7o 1 . 13 . 2972 . 1 1 10 . C C 5.955 12.141 4.029 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 C . . . . . . . . . c34215_6f7o 1 . 13 . 2973 . 1 1 10 . CA C 5.393 10.735 3.749 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 CA . . . . . . . . . c34215_6f7o 1 . 13 . 2974 . 1 1 10 . CB C 4.100 10.899 2.887 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 CB . . . . . . . . . c34215_6f7o 1 . 13 . 2975 . 1 1 10 . CB1 C 6.434 9.918 2.921 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 CB1 . . . . . . . . . c34215_6f7o 1 . 13 . 2976 . 1 1 10 . CD C 2.166 9.805 1.607 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 CD . . . . . . . . . c34215_6f7o 1 . 13 . 2977 . 1 1 10 . CE C 1.686 8.562 0.882 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 CE . . . . . . . . . c34215_6f7o 1 . 13 . 2978 . 1 1 10 . CG C 3.546 9.586 2.264 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 CG . . . . . . . . . c34215_6f7o 1 . 13 . 2979 . 1 1 10 . HB H 3.320 11.362 3.490 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HB . . . . . . . . . c34215_6f7o 1 . 13 . 2980 . 1 1 10 . HB1 H 7.437 9.980 3.344 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HB1 . . . . . . . . . c34215_6f7o 1 . 13 . 2981 . 1 1 10 . HB1A H 6.162 8.860 2.878 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HB1A . . . . . . . . . c34215_6f7o 1 . 13 . 2982 . 1 1 10 . HB1B H 6.498 10.297 1.897 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HB1B . . . . . . . . . c34215_6f7o 1 . 13 . 2983 . 1 1 10 . HBA H 4.306 11.595 2.072 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HBA . . . . . . . . . c34215_6f7o 1 . 13 . 2984 . 1 1 10 . HD H 1.447 10.134 2.355 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HD . . . . . . . . . c34215_6f7o 1 . 13 . 2985 . 1 1 10 . HDA H 2.243 10.617 0.880 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HDA . . . . . . . . . c34215_6f7o 1 . 13 . 2986 . 1 1 10 . HE H 2.159 8.389 -0.080 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HE . . . . . . . . . c34215_6f7o 1 . 13 . 2987 . 1 1 10 . HG H 4.234 9.227 1.496 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HG . . . . . . . . . c34215_6f7o 1 . 13 . 2988 . 1 1 10 . HGA H 3.470 8.803 3.018 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HGA . . . . . . . . . c34215_6f7o 1 . 13 . 2989 . 1 1 10 . HN H 4.115 9.869 5.237 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HN . . . . . . . . . c34215_6f7o 1 . 13 . 2990 . 1 1 10 . N N 5.084 10.061 5.042 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 N . . . . . . . . . c34215_6f7o 1 . 13 . 2991 . 1 1 10 . O O 6.898 12.619 3.426 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 O . . . . . . . . . c34215_6f7o 1 . 13 . 2992 . 1 1 11 GLN C C 7.182 14.000 6.202 . . . 1.0 . . . . . . . . . . . . A . 11 GLN C . . . . . . . . . c34215_6f7o 1 . 13 . 2993 . 1 1 11 GLN CA C 5.816 14.119 5.539 . . . 1.0 . . . . . . . . . . . . A . 11 GLN CA . . . . . . . . . c34215_6f7o 1 . 13 . 2994 . 1 1 11 GLN CB C 4.801 14.691 6.529 . . . 1.0 . . . . . . . . . . . . A . 11 GLN CB . . . . . . . . . c34215_6f7o 1 . 13 . 2995 . 1 1 11 GLN CD C 5.617 16.936 7.351 . . . 1.0 . . . . . . . . . . . . A . 11 GLN CD . . . . . . . . . c34215_6f7o 1 . 13 . 2996 . 1 1 11 GLN CG C 4.651 16.201 6.443 . . . 1.0 . . . . . . . . . . . . A . 11 GLN CG . . . . . . . . . c34215_6f7o 1 . 13 . 2997 . 1 1 11 GLN H H 4.513 12.458 5.363 . . . 1.0 . . . . . . . . . . . . A . 11 GLN H . . . . . . . . . c34215_6f7o 1 . 13 . 2998 . 1 1 11 GLN HA H 5.897 14.788 4.695 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HA . . . . . . . . . c34215_6f7o 1 . 13 . 2999 . 1 1 11 GLN HB2 H 3.838 14.242 6.339 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HB2 . . . . . . . . . c34215_6f7o 1 . 13 . 3000 . 1 1 11 GLN HB3 H 5.115 14.439 7.532 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HB3 . . . . . . . . . c34215_6f7o 1 . 13 . 3001 . 1 1 11 GLN HE21 H 6.614 17.624 5.772 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HE21 . . . . . . . . . c34215_6f7o 1 . 13 . 3002 . 1 1 11 GLN HE22 H 7.219 18.113 7.315 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HE22 . . . . . . . . . c34215_6f7o 1 . 13 . 3003 . 1 1 11 GLN HG2 H 4.830 16.510 5.425 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HG2 . . . . . . . . . c34215_6f7o 1 . 13 . 3004 . 1 1 11 GLN HG3 H 3.642 16.466 6.725 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HG3 . . . . . . . . . c34215_6f7o 1 . 13 . 3005 . 1 1 11 GLN N N 5.364 12.825 5.040 . . . 1.0 . . . . . . . . . . . . A . 11 GLN N . . . . . . . . . c34215_6f7o 1 . 13 . 3006 . 1 1 11 GLN NE2 N 6.582 17.626 6.754 . . . 1.0 . . . . . . . . . . . . A . 11 GLN NE2 . . . . . . . . . c34215_6f7o 1 . 13 . 3007 . 1 1 11 GLN O O 7.921 14.979 6.308 . . . 1.0 . . . . . . . . . . . . A . 11 GLN O . . . . . . . . . c34215_6f7o 1 . 13 . 3008 . 1 1 11 GLN OE1 O 5.498 16.885 8.575 . . . 1.0 . . . . . . . . . . . . A . 11 GLN OE1 . . . . . . . . . c34215_6f7o 1 . 13 . 3009 . 1 1 12 ALA C C 9.456 11.287 6.751 . . . 1.0 . . . . . . . . . . . . A . 12 ALA C . . . . . . . . . c34215_6f7o 1 . 13 . 3010 . 1 1 12 ALA CA C 8.793 12.544 7.301 . . . 1.0 . . . . . . . . . . . . A . 12 ALA CA . . . . . . . . . c34215_6f7o 1 . 13 . 3011 . 1 1 12 ALA CB C 8.603 12.426 8.808 . . . 1.0 . . . . . . . . . . . . A . 12 ALA CB . . . . . . . . . c34215_6f7o 1 . 13 . 3012 . 1 1 12 ALA H H 6.883 12.051 6.536 . . . 1.0 . . . . . . . . . . . . A . 12 ALA H . . . . . . . . . c34215_6f7o 1 . 13 . 3013 . 1 1 12 ALA HA H 9.436 13.393 7.110 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HA . . . . . . . . . c34215_6f7o 1 . 13 . 3014 . 1 1 12 ALA HB1 H 9.566 12.484 9.296 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB1 . . . . . . . . . c34215_6f7o 1 . 13 . 3015 . 1 1 12 ALA HB2 H 7.974 13.232 9.154 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB2 . . . . . . . . . c34215_6f7o 1 . 13 . 3016 . 1 1 12 ALA HB3 H 8.141 11.480 9.038 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB3 . . . . . . . . . c34215_6f7o 1 . 13 . 3017 . 1 1 12 ALA N N 7.515 12.792 6.649 . . . 1.0 . . . . . . . . . . . . A . 12 ALA N . . . . . . . . . c34215_6f7o 1 . 13 . 3018 . 1 1 12 ALA O O 9.437 10.232 7.386 . . . 1.0 . . . . . . . . . . . . A . 12 ALA O . . . . . . . . . c34215_6f7o 1 . 13 . 3019 . 1 1 13 ALA C C 11.888 9.791 5.771 . . . 1.0 . . . . . . . . . . . . A . 13 ALA C . . . . . . . . . c34215_6f7o 1 . 13 . 3020 . 1 1 13 ALA CA C 10.715 10.278 4.928 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CA . . . . . . . . . c34215_6f7o 1 . 13 . 3021 . 1 1 13 ALA CB C 11.188 10.663 3.535 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CB . . . . . . . . . c34215_6f7o 1 . 13 . 3022 . 1 1 13 ALA H H 10.028 12.270 5.106 . . . 1.0 . . . . . . . . . . . . A . 13 ALA H . . . . . . . . . c34215_6f7o 1 . 13 . 3023 . 1 1 13 ALA HA H 9.998 9.476 4.829 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HA . . . . . . . . . c34215_6f7o 1 . 13 . 3024 . 1 1 13 ALA HB1 H 11.671 9.814 3.071 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB1 . . . . . . . . . c34215_6f7o 1 . 13 . 3025 . 1 1 13 ALA HB2 H 10.339 10.965 2.937 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB2 . . . . . . . . . c34215_6f7o 1 . 13 . 3026 . 1 1 13 ALA HB3 H 11.890 11.482 3.605 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB3 . . . . . . . . . c34215_6f7o 1 . 13 . 3027 . 1 1 13 ALA N N 10.043 11.405 5.564 . . . 1.0 . . . . . . . . . . . . A . 13 ALA N . . . . . . . . . c34215_6f7o 1 . 13 . 3028 . 1 1 13 ALA O O 12.361 10.499 6.660 . . . 1.0 . . . . . . . . . . . . A . 13 ALA O . . . . . . . . . c34215_6f7o 1 . 13 . 3029 . 1 1 14 ARG C C 13.130 7.849 7.701 . . . 1.0 . . . . . . . . . . . . A . 14 ARG C . . . . . . . . . c34215_6f7o 1 . 13 . 3030 . 1 1 14 ARG CA C 13.468 7.994 6.221 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CA . . . . . . . . . c34215_6f7o 1 . 13 . 3031 . 1 1 14 ARG CB C 14.721 8.857 6.054 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CB . . . . . . . . . c34215_6f7o 1 . 13 . 3032 . 1 1 14 ARG CD C 15.997 7.687 4.232 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CD . . . . . . . . . c34215_6f7o 1 . 13 . 3033 . 1 1 14 ARG CG C 15.967 8.059 5.707 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CG . . . . . . . . . c34215_6f7o 1 . 13 . 3034 . 1 1 14 ARG CZ C 17.680 7.216 2.502 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CZ . . . . . . . . . c34215_6f7o 1 . 13 . 3035 . 1 1 14 ARG H H 11.932 8.061 4.766 . . . 1.0 . . . . . . . . . . . . A . 14 ARG H . . . . . . . . . c34215_6f7o 1 . 13 . 3036 . 1 1 14 ARG HA H 13.661 7.014 5.810 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HA . . . . . . . . . c34215_6f7o 1 . 13 . 3037 . 1 1 14 ARG HB2 H 14.547 9.574 5.264 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB2 . . . . . . . . . c34215_6f7o 1 . 13 . 3038 . 1 1 14 ARG HB3 H 14.903 9.385 6.976 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB3 . . . . . . . . . c34215_6f7o 1 . 13 . 3039 . 1 1 14 ARG HD2 H 15.354 6.835 4.076 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD2 . . . . . . . . . c34215_6f7o 1 . 13 . 3040 . 1 1 14 ARG HD3 H 15.632 8.525 3.656 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD3 . . . . . . . . . c34215_6f7o 1 . 13 . 3041 . 1 1 14 ARG HE H 18.036 7.226 4.463 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HE . . . . . . . . . c34215_6f7o 1 . 13 . 3042 . 1 1 14 ARG HG2 H 16.839 8.655 5.936 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG2 . . . . . . . . . c34215_6f7o 1 . 13 . 3043 . 1 1 14 ARG HG3 H 15.981 7.155 6.298 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG3 . . . . . . . . . c34215_6f7o 1 . 13 . 3044 . 1 1 14 ARG HH11 H 17.022 7.280 0.591 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH11 . . . . . . . . . c34215_6f7o 1 . 13 . 3045 . 1 1 14 ARG HH12 H 15.827 7.614 1.801 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH12 . . . . . . . . . c34215_6f7o 1 . 13 . 3046 . 1 1 14 ARG HH21 H 19.176 6.806 1.207 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH21 . . . . . . . . . c34215_6f7o 1 . 13 . 3047 . 1 1 14 ARG HH22 H 19.617 6.784 2.880 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH22 . . . . . . . . . c34215_6f7o 1 . 13 . 3048 . 1 1 14 ARG N N 12.351 8.577 5.486 . . . 1.0 . . . . . . . . . . . . A . 14 ARG N . . . . . . . . . c34215_6f7o 1 . 13 . 3049 . 1 1 14 ARG NE N 17.346 7.354 3.780 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NE . . . . . . . . . c34215_6f7o 1 . 13 . 3050 . 1 1 14 ARG NH1 N 16.768 7.383 1.553 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH1 . . . . . . . . . c34215_6f7o 1 . 13 . 3051 . 1 1 14 ARG NH2 N 18.928 6.910 2.170 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH2 . . . . . . . . . c34215_6f7o 1 . 13 . 3052 . 1 1 14 ARG O O 12.004 8.156 8.095 . . . 1.0 . . . . . . . . . . . . A . 14 ARG O . . . . . . . . . c34215_6f7o 1 . 13 . 3053 . 1 1 15 NH2 HN1 H 14.989 7.164 8.089 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 HN1 . . . . . . . . . c34215_6f7o 1 . 13 . 3054 . 1 1 15 NH2 HN2 H 13.938 7.276 9.460 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 HN2 . . . . . . . . . c34215_6f7o 1 . 13 . 3055 . 1 1 15 NH2 N N 14.098 7.392 8.481 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 N . . . . . . . . . c34215_6f7o 1 . 14 . 3056 . 1 1 1 ACE C C -3.922 2.389 10.178 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . c34215_6f7o 1 . 14 . 3057 . 1 1 1 ACE CH3 C -3.039 1.495 10.978 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . c34215_6f7o 1 . 14 . 3058 . 1 1 1 ACE H1 H -2.956 0.528 10.484 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . c34215_6f7o 1 . 14 . 3059 . 1 1 1 ACE H2 H -2.051 1.945 11.063 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . c34215_6f7o 1 . 14 . 3060 . 1 1 1 ACE H3 H -3.464 1.361 11.973 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . c34215_6f7o 1 . 14 . 3061 . 1 1 1 ACE O O -4.533 1.984 9.188 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . c34215_6f7o 1 . 14 . 3062 . 1 1 2 ASP C C -4.056 5.283 8.784 . . . 1.0 . . . . . . . . . . . . A . 2 ASP C . . . . . . . . . c34215_6f7o 1 . 14 . 3063 . 1 1 2 ASP CA C -4.821 4.638 9.937 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CA . . . . . . . . . c34215_6f7o 1 . 14 . 3064 . 1 1 2 ASP CB C -5.277 5.711 10.927 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CB . . . . . . . . . c34215_6f7o 1 . 14 . 3065 . 1 1 2 ASP CG C -6.669 5.444 11.468 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CG . . . . . . . . . c34215_6f7o 1 . 14 . 3066 . 1 1 2 ASP H H -3.489 3.902 11.408 . . . 1.0 . . . . . . . . . . . . A . 2 ASP H . . . . . . . . . c34215_6f7o 1 . 14 . 3067 . 1 1 2 ASP HA H -5.690 4.136 9.538 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HA . . . . . . . . . c34215_6f7o 1 . 14 . 3068 . 1 1 2 ASP HB2 H -4.587 5.741 11.758 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HB2 . . . . . . . . . c34215_6f7o 1 . 14 . 3069 . 1 1 2 ASP HB3 H -5.280 6.670 10.431 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HB3 . . . . . . . . . c34215_6f7o 1 . 14 . 3070 . 1 1 2 ASP N N -3.999 3.642 10.614 . . . 1.0 . . . . . . . . . . . . A . 2 ASP N . . . . . . . . . c34215_6f7o 1 . 14 . 3071 . 1 1 2 ASP O O -2.828 5.236 8.721 . . . 1.0 . . . . . . . . . . . . A . 2 ASP O . . . . . . . . . c34215_6f7o 1 . 14 . 3072 . 1 1 2 ASP OD1 O -7.619 6.119 11.020 . . . 1.0 . . . . . . . . . . . . A . 2 ASP OD1 . . . . . . . . . c34215_6f7o 1 . 14 . 3073 . 1 1 2 ASP OD2 O -6.807 4.560 12.340 . . . 1.0 . . . . . . . . . . . . A . 2 ASP OD2 . . . . . . . . . c34215_6f7o 1 . 14 . 3074 . 1 1 3 PRO C C -3.455 7.833 7.063 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . c34215_6f7o 1 . 14 . 3075 . 1 1 3 PRO CA C -4.211 6.564 6.687 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . c34215_6f7o 1 . 14 . 3076 . 1 1 3 PRO CB C -5.427 6.903 5.822 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . c34215_6f7o 1 . 14 . 3077 . 1 1 3 PRO CD C -6.268 5.993 7.866 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . c34215_6f7o 1 . 14 . 3078 . 1 1 3 PRO CG C -6.563 6.992 6.783 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . c34215_6f7o 1 . 14 . 3079 . 1 1 3 PRO HA H -3.553 5.902 6.141 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . c34215_6f7o 1 . 14 . 3080 . 1 1 3 PRO HB2 H -5.261 7.845 5.316 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . c34215_6f7o 1 . 14 . 3081 . 1 1 3 PRO HB3 H -5.586 6.121 5.096 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . c34215_6f7o 1 . 14 . 3082 . 1 1 3 PRO HD2 H -6.621 6.353 8.820 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . c34215_6f7o 1 . 14 . 3083 . 1 1 3 PRO HD3 H -6.716 5.038 7.631 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . c34215_6f7o 1 . 14 . 3084 . 1 1 3 PRO HG2 H -6.614 7.989 7.197 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . c34215_6f7o 1 . 14 . 3085 . 1 1 3 PRO HG3 H -7.487 6.742 6.283 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . c34215_6f7o 1 . 14 . 3086 . 1 1 3 PRO N N -4.797 5.899 7.853 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . c34215_6f7o 1 . 14 . 3087 . 1 1 3 PRO O O -2.474 8.197 6.415 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . c34215_6f7o 1 . 14 . 3088 . 1 1 4 GLN C C -1.794 9.520 8.820 . . . 1.0 . . . . . . . . . . . . A . 4 GLN C . . . . . . . . . c34215_6f7o 1 . 14 . 3089 . 1 1 4 GLN CA C -3.285 9.732 8.576 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CA . . . . . . . . . c34215_6f7o 1 . 14 . 3090 . 1 1 4 GLN CB C -3.958 10.229 9.857 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CB . . . . . . . . . c34215_6f7o 1 . 14 . 3091 . 1 1 4 GLN CD C -6.013 11.242 10.920 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CD . . . . . . . . . c34215_6f7o 1 . 14 . 3092 . 1 1 4 GLN CG C -5.372 10.741 9.642 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CG . . . . . . . . . c34215_6f7o 1 . 14 . 3093 . 1 1 4 GLN H H -4.704 8.163 8.588 . . . 1.0 . . . . . . . . . . . . A . 4 GLN H . . . . . . . . . c34215_6f7o 1 . 14 . 3094 . 1 1 4 GLN HA H -3.407 10.478 7.803 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HA . . . . . . . . . c34215_6f7o 1 . 14 . 3095 . 1 1 4 GLN HB2 H -3.996 9.416 10.565 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HB2 . . . . . . . . . c34215_6f7o 1 . 14 . 3096 . 1 1 4 GLN HB3 H -3.366 11.030 10.272 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HB3 . . . . . . . . . c34215_6f7o 1 . 14 . 3097 . 1 1 4 GLN HE21 H -7.633 11.808 9.917 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HE21 . . . . . . . . . c34215_6f7o 1 . 14 . 3098 . 1 1 4 GLN HE22 H -7.662 12.101 11.619 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HE22 . . . . . . . . . c34215_6f7o 1 . 14 . 3099 . 1 1 4 GLN HG2 H -5.342 11.554 8.931 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HG2 . . . . . . . . . c34215_6f7o 1 . 14 . 3100 . 1 1 4 GLN HG3 H -5.976 9.938 9.243 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HG3 . . . . . . . . . c34215_6f7o 1 . 14 . 3101 . 1 1 4 GLN N N -3.918 8.504 8.114 . . . 1.0 . . . . . . . . . . . . A . 4 GLN N . . . . . . . . . c34215_6f7o 1 . 14 . 3102 . 1 1 4 GLN NE2 N -7.223 11.771 10.809 . . . 1.0 . . . . . . . . . . . . A . 4 GLN NE2 . . . . . . . . . c34215_6f7o 1 . 14 . 3103 . 1 1 4 GLN O O -0.971 10.375 8.495 . . . 1.0 . . . . . . . . . . . . A . 4 GLN O . . . . . . . . . c34215_6f7o 1 . 14 . 3104 . 1 1 4 GLN OE1 O -5.424 11.153 11.999 . . . 1.0 . . . . . . . . . . . . A . 4 GLN OE1 . . . . . . . . . c34215_6f7o 1 . 14 . 3105 . 1 1 5 HIS C C 0.718 7.799 8.395 . . . 1.0 . . . . . . . . . . . . A . 5 HIS C . . . . . . . . . c34215_6f7o 1 . 14 . 3106 . 1 1 5 HIS CA C -0.061 8.043 9.683 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CA . . . . . . . . . c34215_6f7o 1 . 14 . 3107 . 1 1 5 HIS CB C 0.019 6.809 10.581 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CB . . . . . . . . . c34215_6f7o 1 . 14 . 3108 . 1 1 5 HIS CD2 C 1.252 7.121 12.843 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CD2 . . . . . . . . . c34215_6f7o 1 . 14 . 3109 . 1 1 5 HIS CE1 C 3.280 6.625 12.176 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CE1 . . . . . . . . . c34215_6f7o 1 . 14 . 3110 . 1 1 5 HIS CG C 1.183 6.829 11.524 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CG . . . . . . . . . c34215_6f7o 1 . 14 . 3111 . 1 1 5 HIS H H -2.154 7.727 9.630 . . . 1.0 . . . . . . . . . . . . A . 5 HIS H . . . . . . . . . c34215_6f7o 1 . 14 . 3112 . 1 1 5 HIS HA H 0.377 8.883 10.200 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HA . . . . . . . . . c34215_6f7o 1 . 14 . 3113 . 1 1 5 HIS HB2 H -0.883 6.741 11.173 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB2 . . . . . . . . . c34215_6f7o 1 . 14 . 3114 . 1 1 5 HIS HB3 H 0.106 5.926 9.965 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB3 . . . . . . . . . c34215_6f7o 1 . 14 . 3115 . 1 1 5 HIS HD1 H 2.751 6.267 10.231 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD1 . . . . . . . . . c34215_6f7o 1 . 14 . 3116 . 1 1 5 HIS HD2 H 0.424 7.405 13.479 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD2 . . . . . . . . . c34215_6f7o 1 . 14 . 3117 . 1 1 5 HIS HE1 H 4.343 6.444 12.168 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HE1 . . . . . . . . . c34215_6f7o 1 . 14 . 3118 . 1 1 5 HIS N N -1.454 8.370 9.395 . . . 1.0 . . . . . . . . . . . . A . 5 HIS N . . . . . . . . . c34215_6f7o 1 . 14 . 3119 . 1 1 5 HIS ND1 N 2.472 6.523 11.134 . . . 1.0 . . . . . . . . . . . . A . 5 HIS ND1 . . . . . . . . . c34215_6f7o 1 . 14 . 3120 . 1 1 5 HIS NE2 N 2.563 6.987 13.224 . . . 1.0 . . . . . . . . . . . . A . 5 HIS NE2 . . . . . . . . . c34215_6f7o 1 . 14 . 3121 . 1 1 5 HIS O O 1.938 7.954 8.390 . . . 1.0 . . . . . . . . . . . . A . 5 HIS O . . . . . . . . . c34215_6f7o 1 . 14 . 3122 . 1 1 6 . C C 1.325 8.435 5.584 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 C . . . . . . . . . c34215_6f7o 1 . 14 . 3123 . 1 1 6 . CA C 0.768 7.066 5.993 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 CA . . . . . . . . . c34215_6f7o 1 . 14 . 3124 . 1 1 6 . CB C -0.214 6.579 4.875 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 CB . . . . . . . . . c34215_6f7o 1 . 14 . 3125 . 1 1 6 . CB1 C 1.875 5.968 6.118 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 CB1 . . . . . . . . . c34215_6f7o 1 . 14 . 3126 . 1 1 6 . CD C -0.012 7.711 2.556 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 CD . . . . . . . . . c34215_6f7o 1 . 14 . 3127 . 1 1 6 . CE C 0.765 7.701 1.255 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 CE . . . . . . . . . c34215_6f7o 1 . 14 . 3128 . 1 1 6 . CG C 0.388 6.509 3.441 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 CG . . . . . . . . . c34215_6f7o 1 . 14 . 3129 . 1 1 6 . HB H -0.592 5.589 5.149 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HB . . . . . . . . . c34215_6f7o 1 . 14 . 3130 . 1 1 6 . HB1 H 2.536 6.138 6.963 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HB1 . . . . . . . . . c34215_6f7o 1 . 14 . 3131 . 1 1 6 . HB1A H 1.423 4.987 6.272 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HB1A . . . . . . . . . c34215_6f7o 1 . 14 . 3132 . 1 1 6 . HB1B H 2.515 5.909 5.236 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HB1B . . . . . . . . . c34215_6f7o 1 . 14 . 3133 . 1 1 6 . HBA H -1.087 7.220 4.819 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HBA . . . . . . . . . c34215_6f7o 1 . 14 . 3134 . 1 1 6 . HD H -1.080 7.646 2.335 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HD . . . . . . . . . c34215_6f7o 1 . 14 . 3135 . 1 1 6 . HDA H 0.138 8.639 3.099 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HDA . . . . . . . . . c34215_6f7o 1 . 14 . 3136 . 1 1 6 . HE H 0.535 6.870 0.595 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HE . . . . . . . . . c34215_6f7o 1 . 14 . 3137 . 1 1 6 . HG H 1.476 6.452 3.464 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HG . . . . . . . . . c34215_6f7o 1 . 14 . 3138 . 1 1 6 . HGA H 0.042 5.592 2.959 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HGA . . . . . . . . . c34215_6f7o 1 . 14 . 3139 . 1 1 6 . HN H -0.887 7.060 7.365 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HN . . . . . . . . . c34215_6f7o 1 . 14 . 3140 . 1 1 6 . N N 0.106 7.238 7.317 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 N . . . . . . . . . c34215_6f7o 1 . 14 . 3141 . 1 1 6 . O O 2.489 8.615 5.289 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 O . . . . . . . . . c34215_6f7o 1 . 14 . 3142 . 1 1 7 ARG C C 1.928 11.348 6.314 . . . 1.0 . . . . . . . . . . . . A . 7 ARG C . . . . . . . . . c34215_6f7o 1 . 14 . 3143 . 1 1 7 ARG CA C 0.815 10.860 5.391 . . . 1.0 . . . . . . . . . . . . A . 7 ARG CA . . . . . . . . . c34215_6f7o 1 . 14 . 3144 . 1 1 7 ARG CB C -0.409 11.768 5.526 . . . 1.0 . . . . . . . . . . . . A . 7 ARG CB . . . . . . . . . c34215_6f7o 1 . 14 . 3145 . 1 1 7 ARG CD C -1.426 13.976 4.888 . . . 1.0 . . . . . . . . . . . . A . 7 ARG CD . . . . . . . . . c34215_6f7o 1 . 14 . 3146 . 1 1 7 ARG CG C -0.135 13.218 5.158 . . . 1.0 . . . . . . . . . . . . A . 7 ARG CG . . . . . . . . . c34215_6f7o 1 . 14 . 3147 . 1 1 7 ARG CZ C -1.657 13.688 2.457 . . . 1.0 . . . . . . . . . . . . A . 7 ARG CZ . . . . . . . . . c34215_6f7o 1 . 14 . 3148 . 1 1 7 ARG H H -0.463 9.271 5.961 . . . 1.0 . . . . . . . . . . . . A . 7 ARG H . . . . . . . . . c34215_6f7o 1 . 14 . 3149 . 1 1 7 ARG HA H 1.169 10.895 4.371 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HA . . . . . . . . . c34215_6f7o 1 . 14 . 3150 . 1 1 7 ARG HB2 H -1.192 11.397 4.879 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HB2 . . . . . . . . . c34215_6f7o 1 . 14 . 3151 . 1 1 7 ARG HB3 H -0.753 11.737 6.547 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HB3 . . . . . . . . . c34215_6f7o 1 . 14 . 3152 . 1 1 7 ARG HD2 H -2.082 13.858 5.737 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HD2 . . . . . . . . . c34215_6f7o 1 . 14 . 3153 . 1 1 7 ARG HD3 H -1.190 15.022 4.757 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HD3 . . . . . . . . . c34215_6f7o 1 . 14 . 3154 . 1 1 7 ARG HE H -2.939 12.988 3.815 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HE . . . . . . . . . c34215_6f7o 1 . 14 . 3155 . 1 1 7 ARG HG2 H 0.386 13.694 5.976 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HG2 . . . . . . . . . c34215_6f7o 1 . 14 . 3156 . 1 1 7 ARG HG3 H 0.480 13.244 4.272 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HG3 . . . . . . . . . c34215_6f7o 1 . 14 . 3157 . 1 1 7 ARG HH11 H -0.195 14.511 1.328 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HH11 . . . . . . . . . c34215_6f7o 1 . 14 . 3158 . 1 1 7 ARG HH12 H -0.019 14.720 3.040 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HH12 . . . . . . . . . c34215_6f7o 1 . 14 . 3159 . 1 1 7 ARG HH21 H -1.994 13.366 0.490 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HH21 . . . . . . . . . c34215_6f7o 1 . 14 . 3160 . 1 1 7 ARG HH22 H -3.181 12.707 1.564 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HH22 . . . . . . . . . c34215_6f7o 1 . 14 . 3161 . 1 1 7 ARG N N 0.458 9.479 5.694 . . . 1.0 . . . . . . . . . . . . A . 7 ARG N . . . . . . . . . c34215_6f7o 1 . 14 . 3162 . 1 1 7 ARG NE N -2.106 13.489 3.690 . . . 1.0 . . . . . . . . . . . . A . 7 ARG NE . . . . . . . . . c34215_6f7o 1 . 14 . 3163 . 1 1 7 ARG NH1 N -0.532 14.363 2.260 . . . 1.0 . . . . . . . . . . . . A . 7 ARG NH1 . . . . . . . . . c34215_6f7o 1 . 14 . 3164 . 1 1 7 ARG NH2 N -2.332 13.214 1.420 . . . 1.0 . . . . . . . . . . . . A . 7 ARG NH2 . . . . . . . . . c34215_6f7o 1 . 14 . 3165 . 1 1 7 ARG O O 2.903 11.950 5.865 . . . 1.0 . . . . . . . . . . . . A . 7 ARG O . . . . . . . . . c34215_6f7o 1 . 14 . 3166 . 1 1 8 LYS C C 4.163 11.038 8.186 . . . 1.0 . . . . . . . . . . . . A . 8 LYS C . . . . . . . . . c34215_6f7o 1 . 14 . 3167 . 1 1 8 LYS CA C 2.766 11.494 8.595 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CA . . . . . . . . . c34215_6f7o 1 . 14 . 3168 . 1 1 8 LYS CB C 2.412 10.924 9.970 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CB . . . . . . . . . c34215_6f7o 1 . 14 . 3169 . 1 1 8 LYS CD C 4.217 12.261 11.094 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CD . . . . . . . . . c34215_6f7o 1 . 14 . 3170 . 1 1 8 LYS CE C 4.414 12.616 12.560 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CE . . . . . . . . . c34215_6f7o 1 . 14 . 3171 . 1 1 8 LYS CG C 3.585 10.887 10.935 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CG . . . . . . . . . c34215_6f7o 1 . 14 . 3172 . 1 1 8 LYS H H 0.976 10.600 7.904 . . . 1.0 . . . . . . . . . . . . A . 8 LYS H . . . . . . . . . c34215_6f7o 1 . 14 . 3173 . 1 1 8 LYS HA H 2.754 12.573 8.649 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HA . . . . . . . . . c34215_6f7o 1 . 14 . 3174 . 1 1 8 LYS HB2 H 1.632 11.528 10.407 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB2 . . . . . . . . . c34215_6f7o 1 . 14 . 3175 . 1 1 8 LYS HB3 H 2.047 9.913 9.843 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB3 . . . . . . . . . c34215_6f7o 1 . 14 . 3176 . 1 1 8 LYS HD2 H 5.178 12.265 10.605 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD2 . . . . . . . . . c34215_6f7o 1 . 14 . 3177 . 1 1 8 LYS HD3 H 3.575 12.999 10.637 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD3 . . . . . . . . . c34215_6f7o 1 . 14 . 3178 . 1 1 8 LYS HE2 H 3.494 13.036 12.940 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE2 . . . . . . . . . c34215_6f7o 1 . 14 . 3179 . 1 1 8 LYS HE3 H 4.651 11.715 13.106 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE3 . . . . . . . . . c34215_6f7o 1 . 14 . 3180 . 1 1 8 LYS HG2 H 3.237 10.547 11.898 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG2 . . . . . . . . . c34215_6f7o 1 . 14 . 3181 . 1 1 8 LYS HG3 H 4.329 10.201 10.555 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG3 . . . . . . . . . c34215_6f7o 1 . 14 . 3182 . 1 1 8 LYS HZ1 H 5.485 13.986 13.716 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ1 . . . . . . . . . c34215_6f7o 1 . 14 . 3183 . 1 1 8 LYS HZ2 H 5.408 14.387 12.074 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ2 . . . . . . . . . c34215_6f7o 1 . 14 . 3184 . 1 1 8 LYS HZ3 H 6.434 13.146 12.595 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ3 . . . . . . . . . c34215_6f7o 1 . 14 . 3185 . 1 1 8 LYS N N 1.774 11.083 7.608 . . . 1.0 . . . . . . . . . . . . A . 8 LYS N . . . . . . . . . c34215_6f7o 1 . 14 . 3186 . 1 1 8 LYS NZ N 5.513 13.602 12.751 . . . 1.0 . . . . . . . . . . . . A . 8 LYS NZ . . . . . . . . . c34215_6f7o 1 . 14 . 3187 . 1 1 8 LYS O O 5.123 11.806 8.253 . . . 1.0 . . . . . . . . . . . . A . 8 LYS O . . . . . . . . . c34215_6f7o 1 . 14 . 3188 . 1 1 9 LEU C C 5.996 9.828 6.017 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . c34215_6f7o 1 . 14 . 3189 . 1 1 9 LEU CA C 5.551 9.225 7.343 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . c34215_6f7o 1 . 14 . 3190 . 1 1 9 LEU CB C 5.449 7.702 7.218 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . c34215_6f7o 1 . 14 . 3191 . 1 1 9 LEU CD1 C 5.352 5.539 8.479 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . c34215_6f7o 1 . 14 . 3192 . 1 1 9 LEU CD2 C 7.539 6.722 8.194 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . c34215_6f7o 1 . 14 . 3193 . 1 1 9 LEU CG C 6.037 6.893 8.374 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . c34215_6f7o 1 . 14 . 3194 . 1 1 9 LEU H H 3.470 9.218 7.734 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . c34215_6f7o 1 . 14 . 3195 . 1 1 9 LEU HA H 6.281 9.466 8.100 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . c34215_6f7o 1 . 14 . 3196 . 1 1 9 LEU HB2 H 4.404 7.448 7.133 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . c34215_6f7o 1 . 14 . 3197 . 1 1 9 LEU HB3 H 5.963 7.413 6.313 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . c34215_6f7o 1 . 14 . 3198 . 1 1 9 LEU HD11 H 6.051 4.761 8.213 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . c34215_6f7o 1 . 14 . 3199 . 1 1 9 LEU HD12 H 4.506 5.510 7.809 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . c34215_6f7o 1 . 14 . 3200 . 1 1 9 LEU HD13 H 5.013 5.387 9.494 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . c34215_6f7o 1 . 14 . 3201 . 1 1 9 LEU HD21 H 7.744 6.397 7.184 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . c34215_6f7o 1 . 14 . 3202 . 1 1 9 LEU HD22 H 7.901 5.982 8.891 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . c34215_6f7o 1 . 14 . 3203 . 1 1 9 LEU HD23 H 8.034 7.664 8.377 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . c34215_6f7o 1 . 14 . 3204 . 1 1 9 LEU HG H 5.870 7.424 9.299 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . c34215_6f7o 1 . 14 . 3205 . 1 1 9 LEU N N 4.271 9.784 7.763 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . c34215_6f7o 1 . 14 . 3206 . 1 1 9 LEU O O 7.200 9.950 5.784 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . c34215_6f7o 1 . 14 . 3207 . 1 1 10 . C C 5.955 12.146 4.024 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 C . . . . . . . . . c34215_6f7o 1 . 14 . 3208 . 1 1 10 . CA C 5.393 10.738 3.745 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 CA . . . . . . . . . c34215_6f7o 1 . 14 . 3209 . 1 1 10 . CB C 4.098 10.904 2.886 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 CB . . . . . . . . . c34215_6f7o 1 . 14 . 3210 . 1 1 10 . CB1 C 6.425 9.914 2.914 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 CB1 . . . . . . . . . c34215_6f7o 1 . 14 . 3211 . 1 1 10 . CD C 2.165 9.822 1.590 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 CD . . . . . . . . . c34215_6f7o 1 . 14 . 3212 . 1 1 10 . CE C 1.694 8.583 0.856 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 CE . . . . . . . . . c34215_6f7o 1 . 14 . 3213 . 1 1 10 . CG C 3.542 9.599 2.250 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 CG . . . . . . . . . c34215_6f7o 1 . 14 . 3214 . 1 1 10 . HB H 3.318 11.366 3.491 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HB . . . . . . . . . c34215_6f7o 1 . 14 . 3215 . 1 1 10 . HB1 H 6.131 8.864 2.848 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HB1 . . . . . . . . . c34215_6f7o 1 . 14 . 3216 . 1 1 10 . HB1A H 6.515 10.310 1.900 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HB1A . . . . . . . . . c34215_6f7o 1 . 14 . 3217 . 1 1 10 . HB1B H 7.420 9.939 3.357 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HB1B . . . . . . . . . c34215_6f7o 1 . 14 . 3218 . 1 1 10 . HBA H 4.303 11.608 2.074 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HBA . . . . . . . . . c34215_6f7o 1 . 14 . 3219 . 1 1 10 . HD H 1.442 10.144 2.337 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HD . . . . . . . . . c34215_6f7o 1 . 14 . 3220 . 1 1 10 . HDA H 2.245 10.640 0.870 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HDA . . . . . . . . . c34215_6f7o 1 . 14 . 3221 . 1 1 10 . HE H 2.170 8.419 -0.106 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HE . . . . . . . . . c34215_6f7o 1 . 14 . 3222 . 1 1 10 . HG H 4.232 9.243 1.482 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HG . . . . . . . . . c34215_6f7o 1 . 14 . 3223 . 1 1 10 . HGA H 3.463 8.810 2.998 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HGA . . . . . . . . . c34215_6f7o 1 . 14 . 3224 . 1 1 10 . HN H 4.121 9.869 5.237 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HN . . . . . . . . . c34215_6f7o 1 . 14 . 3225 . 1 1 10 . N N 5.089 10.062 5.038 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 N . . . . . . . . . c34215_6f7o 1 . 14 . 3226 . 1 1 10 . O O 6.887 12.634 3.418 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 O . . . . . . . . . c34215_6f7o 1 . 14 . 3227 . 1 1 11 GLN C C 7.176 14.000 6.211 . . . 1.0 . . . . . . . . . . . . A . 11 GLN C . . . . . . . . . c34215_6f7o 1 . 14 . 3228 . 1 1 11 GLN CA C 5.812 14.116 5.540 . . . 1.0 . . . . . . . . . . . . A . 11 GLN CA . . . . . . . . . c34215_6f7o 1 . 14 . 3229 . 1 1 11 GLN CB C 4.791 14.685 6.528 . . . 1.0 . . . . . . . . . . . . A . 11 GLN CB . . . . . . . . . c34215_6f7o 1 . 14 . 3230 . 1 1 11 GLN CD C 4.033 16.441 4.877 . . . 1.0 . . . . . . . . . . . . A . 11 GLN CD . . . . . . . . . c34215_6f7o 1 . 14 . 3231 . 1 1 11 GLN CG C 4.476 16.154 6.299 . . . 1.0 . . . . . . . . . . . . A . 11 GLN CG . . . . . . . . . c34215_6f7o 1 . 14 . 3232 . 1 1 11 GLN H H 4.517 12.453 5.359 . . . 1.0 . . . . . . . . . . . . A . 11 GLN H . . . . . . . . . c34215_6f7o 1 . 14 . 3233 . 1 1 11 GLN HA H 5.895 14.787 4.697 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HA . . . . . . . . . c34215_6f7o 1 . 14 . 3234 . 1 1 11 GLN HB2 H 3.871 14.123 6.440 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HB2 . . . . . . . . . c34215_6f7o 1 . 14 . 3235 . 1 1 11 GLN HB3 H 5.178 14.575 7.529 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HB3 . . . . . . . . . c34215_6f7o 1 . 14 . 3236 . 1 1 11 GLN HE21 H 5.594 17.643 4.610 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HE21 . . . . . . . . . c34215_6f7o 1 . 14 . 3237 . 1 1 11 GLN HE22 H 4.537 17.473 3.253 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HE22 . . . . . . . . . c34215_6f7o 1 . 14 . 3238 . 1 1 11 GLN HG2 H 3.683 16.448 6.970 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HG2 . . . . . . . . . c34215_6f7o 1 . 14 . 3239 . 1 1 11 GLN HG3 H 5.361 16.736 6.509 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HG3 . . . . . . . . . c34215_6f7o 1 . 14 . 3240 . 1 1 11 GLN N N 5.365 12.821 5.040 . . . 1.0 . . . . . . . . . . . . A . 11 GLN N . . . . . . . . . c34215_6f7o 1 . 14 . 3241 . 1 1 11 GLN NE2 N 4.798 17.270 4.176 . . . 1.0 . . . . . . . . . . . . A . 11 GLN NE2 . . . . . . . . . c34215_6f7o 1 . 14 . 3242 . 1 1 11 GLN O O 7.909 14.981 6.323 . . . 1.0 . . . . . . . . . . . . A . 11 GLN O . . . . . . . . . c34215_6f7o 1 . 14 . 3243 . 1 1 11 GLN OE1 O 3.017 15.923 4.414 . . . 1.0 . . . . . . . . . . . . A . 11 GLN OE1 . . . . . . . . . c34215_6f7o 1 . 14 . 3244 . 1 1 12 ALA C C 9.685 11.662 6.459 . . . 1.0 . . . . . . . . . . . . A . 12 ALA C . . . . . . . . . c34215_6f7o 1 . 14 . 3245 . 1 1 12 ALA CA C 8.787 12.548 7.315 . . . 1.0 . . . . . . . . . . . . A . 12 ALA CA . . . . . . . . . c34215_6f7o 1 . 14 . 3246 . 1 1 12 ALA CB C 8.563 11.915 8.681 . . . 1.0 . . . . . . . . . . . . A . 12 ALA CB . . . . . . . . . c34215_6f7o 1 . 14 . 3247 . 1 1 12 ALA H H 6.882 12.051 6.539 . . . 1.0 . . . . . . . . . . . . A . 12 ALA H . . . . . . . . . c34215_6f7o 1 . 14 . 3248 . 1 1 12 ALA HA H 9.274 13.501 7.465 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HA . . . . . . . . . c34215_6f7o 1 . 14 . 3249 . 1 1 12 ALA HB1 H 7.613 12.241 9.078 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB1 . . . . . . . . . c34215_6f7o 1 . 14 . 3250 . 1 1 12 ALA HB2 H 8.560 10.838 8.581 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB2 . . . . . . . . . c34215_6f7o 1 . 14 . 3251 . 1 1 12 ALA HB3 H 9.355 12.212 9.350 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB3 . . . . . . . . . c34215_6f7o 1 . 14 . 3252 . 1 1 12 ALA N N 7.510 12.794 6.657 . . . 1.0 . . . . . . . . . . . . A . 12 ALA N . . . . . . . . . c34215_6f7o 1 . 14 . 3253 . 1 1 12 ALA O O 10.436 10.838 6.978 . . . 1.0 . . . . . . . . . . . . A . 12 ALA O . . . . . . . . . c34215_6f7o 1 . 14 . 3254 . 1 1 13 ALA C C 11.896 11.250 4.484 . . . 1.0 . . . . . . . . . . . . A . 13 ALA C . . . . . . . . . c34215_6f7o 1 . 14 . 3255 . 1 1 13 ALA CA C 10.409 11.054 4.217 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CA . . . . . . . . . c34215_6f7o 1 . 14 . 3256 . 1 1 13 ALA CB C 10.074 11.430 2.781 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CB . . . . . . . . . c34215_6f7o 1 . 14 . 3257 . 1 1 13 ALA H H 8.985 12.512 4.791 . . . 1.0 . . . . . . . . . . . . A . 13 ALA H . . . . . . . . . c34215_6f7o 1 . 14 . 3258 . 1 1 13 ALA HA H 10.162 10.013 4.357 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HA . . . . . . . . . c34215_6f7o 1 . 14 . 3259 . 1 1 13 ALA HB1 H 10.469 10.679 2.112 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB1 . . . . . . . . . c34215_6f7o 1 . 14 . 3260 . 1 1 13 ALA HB2 H 9.003 11.488 2.664 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB2 . . . . . . . . . c34215_6f7o 1 . 14 . 3261 . 1 1 13 ALA HB3 H 10.514 12.387 2.547 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB3 . . . . . . . . . c34215_6f7o 1 . 14 . 3262 . 1 1 13 ALA N N 9.602 11.838 5.144 . . . 1.0 . . . . . . . . . . . . A . 13 ALA N . . . . . . . . . c34215_6f7o 1 . 14 . 3263 . 1 1 13 ALA O O 12.690 10.322 4.339 . . . 1.0 . . . . . . . . . . . . A . 13 ALA O . . . . . . . . . c34215_6f7o 1 . 14 . 3264 . 1 1 14 ARG C C 13.788 13.555 6.468 . . . 1.0 . . . . . . . . . . . . A . 14 ARG C . . . . . . . . . c34215_6f7o 1 . 14 . 3265 . 1 1 14 ARG CA C 13.664 12.784 5.157 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CA . . . . . . . . . c34215_6f7o 1 . 14 . 3266 . 1 1 14 ARG CB C 14.267 13.600 4.013 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CB . . . . . . . . . c34215_6f7o 1 . 14 . 3267 . 1 1 14 ARG CD C 14.876 12.593 1.794 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CD . . . . . . . . . c34215_6f7o 1 . 14 . 3268 . 1 1 14 ARG CG C 15.326 12.852 3.222 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CG . . . . . . . . . c34215_6f7o 1 . 14 . 3269 . 1 1 14 ARG CZ C 13.937 13.917 -0.053 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CZ . . . . . . . . . c34215_6f7o 1 . 14 . 3270 . 1 1 14 ARG H H 11.591 13.167 4.969 . . . 1.0 . . . . . . . . . . . . A . 14 ARG H . . . . . . . . . c34215_6f7o 1 . 14 . 3271 . 1 1 14 ARG HA H 14.203 11.854 5.248 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HA . . . . . . . . . c34215_6f7o 1 . 14 . 3272 . 1 1 14 ARG HB2 H 13.477 13.886 3.333 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB2 . . . . . . . . . c34215_6f7o 1 . 14 . 3273 . 1 1 14 ARG HB3 H 14.717 14.492 4.423 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB3 . . . . . . . . . c34215_6f7o 1 . 14 . 3274 . 1 1 14 ARG HD2 H 15.631 12.005 1.294 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD2 . . . . . . . . . c34215_6f7o 1 . 14 . 3275 . 1 1 14 ARG HD3 H 13.948 12.042 1.817 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD3 . . . . . . . . . c34215_6f7o 1 . 14 . 3276 . 1 1 14 ARG HE H 15.103 14.643 1.391 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HE . . . . . . . . . c34215_6f7o 1 . 14 . 3277 . 1 1 14 ARG HG2 H 16.231 13.441 3.202 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG2 . . . . . . . . . c34215_6f7o 1 . 14 . 3278 . 1 1 14 ARG HG3 H 15.521 11.906 3.705 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG3 . . . . . . . . . c34215_6f7o 1 . 14 . 3279 . 1 1 14 ARG HH11 H 12.787 12.904 -1.370 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH11 . . . . . . . . . c34215_6f7o 1 . 14 . 3280 . 1 1 14 ARG HH12 H 13.442 11.958 -0.074 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH12 . . . . . . . . . c34215_6f7o 1 . 14 . 3281 . 1 1 14 ARG HH21 H 13.246 15.144 -1.504 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH21 . . . . . . . . . c34215_6f7o 1 . 14 . 3282 . 1 1 14 ARG HH22 H 14.247 15.898 -0.310 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH22 . . . . . . . . . c34215_6f7o 1 . 14 . 3283 . 1 1 14 ARG N N 12.268 12.466 4.872 . . . 1.0 . . . . . . . . . . . . A . 14 ARG N . . . . . . . . . c34215_6f7o 1 . 14 . 3284 . 1 1 14 ARG NE N 14.672 13.834 1.051 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NE . . . . . . . . . c34215_6f7o 1 . 14 . 3285 . 1 1 14 ARG NH1 N 13.340 12.836 -0.540 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH1 . . . . . . . . . c34215_6f7o 1 . 14 . 3286 . 1 1 14 ARG NH2 N 13.798 15.082 -0.673 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH2 . . . . . . . . . c34215_6f7o 1 . 14 . 3287 . 1 1 14 ARG O O 12.772 13.979 7.017 . . . 1.0 . . . . . . . . . . . . A . 14 ARG O . . . . . . . . . c34215_6f7o 1 . 14 . 3288 . 1 1 15 NH2 HN1 H 15.796 13.344 6.432 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 HN1 . . . . . . . . . c34215_6f7o 1 . 14 . 3289 . 1 1 15 NH2 HN2 H 15.165 14.213 7.792 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 HN2 . . . . . . . . . c34215_6f7o 1 . 14 . 3290 . 1 1 15 NH2 N N 15.017 13.717 6.935 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 N . . . . . . . . . c34215_6f7o 1 . 15 . 3291 . 1 1 1 ACE C C -4.493 2.144 7.583 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . c34215_6f7o 1 . 15 . 3292 . 1 1 1 ACE CH3 C -5.195 0.985 6.963 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . c34215_6f7o 1 . 15 . 3293 . 1 1 1 ACE H1 H -4.514 0.137 6.901 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . c34215_6f7o 1 . 15 . 3294 . 1 1 1 ACE H2 H -6.056 0.714 7.574 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . c34215_6f7o 1 . 15 . 3295 . 1 1 1 ACE H3 H -5.532 1.257 5.963 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . c34215_6f7o 1 . 15 . 3296 . 1 1 1 ACE O O -3.277 2.304 7.473 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . c34215_6f7o 1 . 15 . 3297 . 1 1 2 ASP C C -3.951 5.026 7.942 . . . 1.0 . . . . . . . . . . . . A . 2 ASP C . . . . . . . . . c34215_6f7o 1 . 15 . 3298 . 1 1 2 ASP CA C -4.739 4.162 8.921 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CA . . . . . . . . . c34215_6f7o 1 . 15 . 3299 . 1 1 2 ASP CB C -3.845 3.751 10.094 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CB . . . . . . . . . c34215_6f7o 1 . 15 . 3300 . 1 1 2 ASP CG C -4.632 3.135 11.233 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CG . . . . . . . . . c34215_6f7o 1 . 15 . 3301 . 1 1 2 ASP H H -6.238 2.797 8.309 . . . 1.0 . . . . . . . . . . . . A . 2 ASP H . . . . . . . . . c34215_6f7o 1 . 15 . 3302 . 1 1 2 ASP HA H -5.571 4.736 9.300 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HA . . . . . . . . . c34215_6f7o 1 . 15 . 3303 . 1 1 2 ASP HB2 H -3.119 3.029 9.748 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HB2 . . . . . . . . . c34215_6f7o 1 . 15 . 3304 . 1 1 2 ASP HB3 H -3.330 4.625 10.466 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HB3 . . . . . . . . . c34215_6f7o 1 . 15 . 3305 . 1 1 2 ASP N N -5.275 2.980 8.256 . . . 1.0 . . . . . . . . . . . . A . 2 ASP N . . . . . . . . . c34215_6f7o 1 . 15 . 3306 . 1 1 2 ASP O O -2.727 5.132 8.015 . . . 1.0 . . . . . . . . . . . . A . 2 ASP O . . . . . . . . . c34215_6f7o 1 . 15 . 3307 . 1 1 2 ASP OD1 O -5.832 3.453 11.366 . . . 1.0 . . . . . . . . . . . . A . 2 ASP OD1 . . . . . . . . . c34215_6f7o 1 . 15 . 3308 . 1 1 2 ASP OD2 O -4.045 2.335 11.990 . . . 1.0 . . . . . . . . . . . . A . 2 ASP OD2 . . . . . . . . . c34215_6f7o 1 . 15 . 3309 . 1 1 3 PRO C C -3.513 7.817 6.582 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . c34215_6f7o 1 . 15 . 3310 . 1 1 3 PRO CA C -4.055 6.522 5.986 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . c34215_6f7o 1 . 15 . 3311 . 1 1 3 PRO CB C -5.212 6.819 5.028 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . c34215_6f7o 1 . 15 . 3312 . 1 1 3 PRO CD C -6.131 5.577 6.853 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . c34215_6f7o 1 . 15 . 3313 . 1 1 3 PRO CG C -6.441 6.659 5.856 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . c34215_6f7o 1 . 15 . 3314 . 1 1 3 PRO HA H -3.265 6.012 5.455 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . c34215_6f7o 1 . 15 . 3315 . 1 1 3 PRO HB2 H -5.118 7.827 4.648 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . c34215_6f7o 1 . 15 . 3316 . 1 1 3 PRO HB3 H -5.195 6.116 4.210 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . c34215_6f7o 1 . 15 . 3317 . 1 1 3 PRO HD2 H -6.625 5.778 7.792 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . c34215_6f7o 1 . 15 . 3318 . 1 1 3 PRO HD3 H -6.425 4.612 6.468 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . c34215_6f7o 1 . 15 . 3319 . 1 1 3 PRO HG2 H -6.664 7.585 6.364 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . c34215_6f7o 1 . 15 . 3320 . 1 1 3 PRO HG3 H -7.270 6.366 5.229 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . c34215_6f7o 1 . 15 . 3321 . 1 1 3 PRO N N -4.668 5.658 7.001 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . c34215_6f7o 1 . 15 . 3322 . 1 1 3 PRO O O -2.792 8.560 5.919 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . c34215_6f7o 1 . 15 . 3323 . 1 1 4 GLN C C -1.893 9.286 8.675 . . . 1.0 . . . . . . . . . . . . A . 4 GLN C . . . . . . . . . c34215_6f7o 1 . 15 . 3324 . 1 1 4 GLN CA C -3.410 9.285 8.520 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CA . . . . . . . . . c34215_6f7o 1 . 15 . 3325 . 1 1 4 GLN CB C -4.074 9.399 9.894 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CB . . . . . . . . . c34215_6f7o 1 . 15 . 3326 . 1 1 4 GLN CD C -6.158 10.799 10.180 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CD . . . . . . . . . c34215_6f7o 1 . 15 . 3327 . 1 1 4 GLN CG C -5.593 9.436 9.834 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CG . . . . . . . . . c34215_6f7o 1 . 15 . 3328 . 1 1 4 GLN H H -4.441 7.448 8.315 . . . 1.0 . . . . . . . . . . . . A . 4 GLN H . . . . . . . . . c34215_6f7o 1 . 15 . 3329 . 1 1 4 GLN HA H -3.699 10.134 7.920 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HA . . . . . . . . . c34215_6f7o 1 . 15 . 3330 . 1 1 4 GLN HB2 H -3.780 8.550 10.495 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HB2 . . . . . . . . . c34215_6f7o 1 . 15 . 3331 . 1 1 4 GLN HB3 H -3.732 10.305 10.372 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HB3 . . . . . . . . . c34215_6f7o 1 . 15 . 3332 . 1 1 4 GLN HE21 H -6.779 10.119 11.944 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HE21 . . . . . . . . . c34215_6f7o 1 . 15 . 3333 . 1 1 4 GLN HE22 H -7.119 11.781 11.616 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HE22 . . . . . . . . . c34215_6f7o 1 . 15 . 3334 . 1 1 4 GLN HG2 H -5.909 9.178 8.832 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HG2 . . . . . . . . . c34215_6f7o 1 . 15 . 3335 . 1 1 4 GLN HG3 H -5.985 8.710 10.530 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HG3 . . . . . . . . . c34215_6f7o 1 . 15 . 3336 . 1 1 4 GLN N N -3.864 8.079 7.837 . . . 1.0 . . . . . . . . . . . . A . 4 GLN N . . . . . . . . . c34215_6f7o 1 . 15 . 3337 . 1 1 4 GLN NE2 N -6.744 10.911 11.367 . . . 1.0 . . . . . . . . . . . . A . 4 GLN NE2 . . . . . . . . . c34215_6f7o 1 . 15 . 3338 . 1 1 4 GLN O O -1.203 10.142 8.122 . . . 1.0 . . . . . . . . . . . . A . 4 GLN O . . . . . . . . . c34215_6f7o 1 . 15 . 3339 . 1 1 4 GLN OE1 O -6.069 11.740 9.392 . . . 1.0 . . . . . . . . . . . . A . 4 GLN OE1 . . . . . . . . . c34215_6f7o 1 . 15 . 3340 . 1 1 5 HIS C C 0.804 8.038 8.340 . . . 1.0 . . . . . . . . . . . . A . 5 HIS C . . . . . . . . . c34215_6f7o 1 . 15 . 3341 . 1 1 5 HIS CA C 0.057 8.210 9.660 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CA . . . . . . . . . c34215_6f7o 1 . 15 . 3342 . 1 1 5 HIS CB C 0.357 7.032 10.588 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CB . . . . . . . . . c34215_6f7o 1 . 15 . 3343 . 1 1 5 HIS CD2 C -0.362 4.729 9.643 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CD2 . . . . . . . . . c34215_6f7o 1 . 15 . 3344 . 1 1 5 HIS CE1 C 1.541 4.148 8.724 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CE1 . . . . . . . . . c34215_6f7o 1 . 15 . 3345 . 1 1 5 HIS CG C 0.518 5.730 9.867 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CG . . . . . . . . . c34215_6f7o 1 . 15 . 3346 . 1 1 5 HIS H H -1.982 7.668 9.848 . . . 1.0 . . . . . . . . . . . . A . 5 HIS H . . . . . . . . . c34215_6f7o 1 . 15 . 3347 . 1 1 5 HIS HA H 0.389 9.123 10.131 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HA . . . . . . . . . c34215_6f7o 1 . 15 . 3348 . 1 1 5 HIS HB2 H 1.275 7.231 11.123 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB2 . . . . . . . . . c34215_6f7o 1 . 15 . 3349 . 1 1 5 HIS HB3 H -0.449 6.925 11.295 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB3 . . . . . . . . . c34215_6f7o 1 . 15 . 3350 . 1 1 5 HIS HD1 H 2.537 5.850 9.271 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD1 . . . . . . . . . c34215_6f7o 1 . 15 . 3351 . 1 1 5 HIS HD2 H -1.394 4.696 9.965 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD2 . . . . . . . . . c34215_6f7o 1 . 15 . 3352 . 1 1 5 HIS HE1 H 2.300 3.592 8.193 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HE1 . . . . . . . . . c34215_6f7o 1 . 15 . 3353 . 1 1 5 HIS N N -1.379 8.321 9.432 . . . 1.0 . . . . . . . . . . . . A . 5 HIS N . . . . . . . . . c34215_6f7o 1 . 15 . 3354 . 1 1 5 HIS ND1 N 1.703 5.336 9.281 . . . 1.0 . . . . . . . . . . . . A . 5 HIS ND1 . . . . . . . . . c34215_6f7o 1 . 15 . 3355 . 1 1 5 HIS NE2 N 0.297 3.757 8.930 . . . 1.0 . . . . . . . . . . . . A . 5 HIS NE2 . . . . . . . . . c34215_6f7o 1 . 15 . 3356 . 1 1 5 HIS O O 2.000 8.324 8.286 . . . 1.0 . . . . . . . . . . . . A . 5 HIS O . . . . . . . . . c34215_6f7o 1 . 15 . 3357 . 1 1 6 . C C 1.300 8.661 5.518 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 C . . . . . . . . . c34215_6f7o 1 . 15 . 3358 . 1 1 6 . CA C 0.787 7.280 5.939 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 CA . . . . . . . . . c34215_6f7o 1 . 15 . 3359 . 1 1 6 . CB C -0.231 6.774 4.870 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 CB . . . . . . . . . c34215_6f7o 1 . 15 . 3360 . 1 1 6 . CB1 C 1.913 6.209 6.007 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 CB1 . . . . . . . . . c34215_6f7o 1 . 15 . 3361 . 1 1 6 . CD C -0.235 7.795 2.500 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 CD . . . . . . . . . c34215_6f7o 1 . 15 . 3362 . 1 1 6 . CE C 0.538 7.850 1.199 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 CE . . . . . . . . . c34215_6f7o 1 . 15 . 3363 . 1 1 6 . CG C 0.334 6.695 3.420 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 CG . . . . . . . . . c34215_6f7o 1 . 15 . 3364 . 1 1 6 . HB H -0.604 5.787 5.163 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HB . . . . . . . . . c34215_6f7o 1 . 15 . 3365 . 1 1 6 . HB1 H 1.489 5.204 6.075 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HB1 . . . . . . . . . c34215_6f7o 1 . 15 . 3366 . 1 1 6 . HB1A H 2.579 6.232 5.142 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HB1A . . . . . . . . . c34215_6f7o 1 . 15 . 3367 . 1 1 6 . HB1B H 2.528 6.343 6.883 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HB1B . . . . . . . . . c34215_6f7o 1 . 15 . 3368 . 1 1 6 . HBA H -1.095 7.421 4.844 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HBA . . . . . . . . . c34215_6f7o 1 . 15 . 3369 . 1 1 6 . HD H -1.286 7.580 2.290 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HD . . . . . . . . . c34215_6f7o 1 . 15 . 3370 . 1 1 6 . HDA H -0.217 8.755 3.013 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HDA . . . . . . . . . c34215_6f7o 1 . 15 . 3371 . 1 1 6 . HE H 0.274 7.080 0.478 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HE . . . . . . . . . c34215_6f7o 1 . 15 . 3372 . 1 1 6 . HG H 1.419 6.773 3.410 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HG . . . . . . . . . c34215_6f7o 1 . 15 . 3373 . 1 1 6 . HGA H 0.091 5.716 2.994 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HGA . . . . . . . . . c34215_6f7o 1 . 15 . 3374 . 1 1 6 . HN H -0.749 7.062 7.425 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HN . . . . . . . . . c34215_6f7o 1 . 15 . 3375 . 1 1 6 . N N 0.182 7.429 7.288 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 N . . . . . . . . . c34215_6f7o 1 . 15 . 3376 . 1 1 6 . O O 2.438 8.860 5.162 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 O . . . . . . . . . c34215_6f7o 1 . 15 . 3377 . 1 1 7 ARG C C 1.905 11.574 6.366 . . . 1.0 . . . . . . . . . . . . A . 7 ARG C . . . . . . . . . c34215_6f7o 1 . 15 . 3378 . 1 1 7 ARG CA C 0.764 11.094 5.476 . . . 1.0 . . . . . . . . . . . . A . 7 ARG CA . . . . . . . . . c34215_6f7o 1 . 15 . 3379 . 1 1 7 ARG CB C -0.473 11.968 5.700 . . . 1.0 . . . . . . . . . . . . A . 7 ARG CB . . . . . . . . . c34215_6f7o 1 . 15 . 3380 . 1 1 7 ARG CD C -1.684 13.954 4.747 . . . 1.0 . . . . . . . . . . . . A . 7 ARG CD . . . . . . . . . c34215_6f7o 1 . 15 . 3381 . 1 1 7 ARG CG C -0.334 13.375 5.142 . . . 1.0 . . . . . . . . . . . . A . 7 ARG CG . . . . . . . . . c34215_6f7o 1 . 15 . 3382 . 1 1 7 ARG CZ C -1.945 13.337 2.382 . . . 1.0 . . . . . . . . . . . . A . 7 ARG CZ . . . . . . . . . c34215_6f7o 1 . 15 . 3383 . 1 1 7 ARG H H -0.455 9.456 6.032 . . . 1.0 . . . . . . . . . . . . A . 7 ARG H . . . . . . . . . c34215_6f7o 1 . 15 . 3384 . 1 1 7 ARG HA H 1.069 11.178 4.443 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HA . . . . . . . . . c34215_6f7o 1 . 15 . 3385 . 1 1 7 ARG HB2 H -1.322 11.499 5.227 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HB2 . . . . . . . . . c34215_6f7o 1 . 15 . 3386 . 1 1 7 ARG HB3 H -0.658 12.044 6.762 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HB3 . . . . . . . . . c34215_6f7o 1 . 15 . 3387 . 1 1 7 ARG HD2 H -2.338 13.923 5.606 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HD2 . . . . . . . . . c34215_6f7o 1 . 15 . 3388 . 1 1 7 ARG HD3 H -1.544 14.978 4.438 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HD3 . . . . . . . . . c34215_6f7o 1 . 15 . 3389 . 1 1 7 ARG HE H -3.016 12.578 3.883 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HE . . . . . . . . . c34215_6f7o 1 . 15 . 3390 . 1 1 7 ARG HG2 H 0.111 14.010 5.894 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HG2 . . . . . . . . . c34215_6f7o 1 . 15 . 3391 . 1 1 7 ARG HG3 H 0.302 13.345 4.270 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HG3 . . . . . . . . . c34215_6f7o 1 . 15 . 3392 . 1 1 7 ARG HH11 H -0.715 14.276 1.084 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HH11 . . . . . . . . . c34215_6f7o 1 . 15 . 3393 . 1 1 7 ARG HH12 H -0.520 14.720 2.748 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HH12 . . . . . . . . . c34215_6f7o 1 . 15 . 3394 . 1 1 7 ARG HH21 H -2.287 12.721 0.488 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HH21 . . . . . . . . . c34215_6f7o 1 . 15 . 3395 . 1 1 7 ARG HH22 H -3.283 11.985 1.696 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HH22 . . . . . . . . . c34215_6f7o 1 . 15 . 3396 . 1 1 7 ARG N N 0.449 9.697 5.740 . . . 1.0 . . . . . . . . . . . . A . 7 ARG N . . . . . . . . . c34215_6f7o 1 . 15 . 3397 . 1 1 7 ARG NE N -2.302 13.206 3.656 . . . 1.0 . . . . . . . . . . . . A . 7 ARG NE . . . . . . . . . c34215_6f7o 1 . 15 . 3398 . 1 1 7 ARG NH1 N -0.981 14.181 2.043 . . . 1.0 . . . . . . . . . . . . A . 7 ARG NH1 . . . . . . . . . c34215_6f7o 1 . 15 . 3399 . 1 1 7 ARG NH2 N -2.556 12.621 1.445 . . . 1.0 . . . . . . . . . . . . A . 7 ARG NH2 . . . . . . . . . c34215_6f7o 1 . 15 . 3400 . 1 1 7 ARG O O 2.854 12.203 5.895 . . . 1.0 . . . . . . . . . . . . A . 7 ARG O . . . . . . . . . c34215_6f7o 1 . 15 . 3401 . 1 1 8 LYS C C 4.201 11.132 8.204 . . . 1.0 . . . . . . . . . . . . A . 8 LYS C . . . . . . . . . c34215_6f7o 1 . 15 . 3402 . 1 1 8 LYS CA C 2.834 11.670 8.614 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CA . . . . . . . . . c34215_6f7o 1 . 15 . 3403 . 1 1 8 LYS CB C 2.477 11.166 10.015 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CB . . . . . . . . . c34215_6f7o 1 . 15 . 3404 . 1 1 8 LYS CD C 4.319 12.504 11.077 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CD . . . . . . . . . c34215_6f7o 1 . 15 . 3405 . 1 1 8 LYS CE C 4.472 12.938 12.527 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CE . . . . . . . . . c34215_6f7o 1 . 15 . 3406 . 1 1 8 LYS CG C 3.655 11.142 10.973 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CG . . . . . . . . . c34215_6f7o 1 . 15 . 3407 . 1 1 8 LYS H H 1.029 10.769 7.973 . . . 1.0 . . . . . . . . . . . . A . 8 LYS H . . . . . . . . . c34215_6f7o 1 . 15 . 3408 . 1 1 8 LYS HA H 2.876 12.749 8.629 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HA . . . . . . . . . c34215_6f7o 1 . 15 . 3409 . 1 1 8 LYS HB2 H 1.716 11.808 10.431 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB2 . . . . . . . . . c34215_6f7o 1 . 15 . 3410 . 1 1 8 LYS HB3 H 2.085 10.163 9.934 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB3 . . . . . . . . . c34215_6f7o 1 . 15 . 3411 . 1 1 8 LYS HD2 H 5.297 12.457 10.622 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD2 . . . . . . . . . c34215_6f7o 1 . 15 . 3412 . 1 1 8 LYS HD3 H 3.711 13.232 10.556 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD3 . . . . . . . . . c34215_6f7o 1 . 15 . 3413 . 1 1 8 LYS HE2 H 4.434 14.017 12.572 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE2 . . . . . . . . . c34215_6f7o 1 . 15 . 3414 . 1 1 8 LYS HE3 H 3.657 12.523 13.102 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE3 . . . . . . . . . c34215_6f7o 1 . 15 . 3415 . 1 1 8 LYS HG2 H 3.306 10.845 11.949 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG2 . . . . . . . . . c34215_6f7o 1 . 15 . 3416 . 1 1 8 LYS HG3 H 4.382 10.424 10.615 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG3 . . . . . . . . . c34215_6f7o 1 . 15 . 3417 . 1 1 8 LYS HZ1 H 6.094 13.155 13.828 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ1 . . . . . . . . . c34215_6f7o 1 . 15 . 3418 . 1 1 8 LYS HZ2 H 6.483 12.397 12.365 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ2 . . . . . . . . . c34215_6f7o 1 . 15 . 3419 . 1 1 8 LYS HZ3 H 5.639 11.545 13.558 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ3 . . . . . . . . . c34215_6f7o 1 . 15 . 3420 . 1 1 8 LYS N N 1.810 11.272 7.656 . . . 1.0 . . . . . . . . . . . . A . 8 LYS N . . . . . . . . . c34215_6f7o 1 . 15 . 3421 . 1 1 8 LYS NZ N 5.763 12.476 13.110 . . . 1.0 . . . . . . . . . . . . A . 8 LYS NZ . . . . . . . . . c34215_6f7o 1 . 15 . 3422 . 1 1 8 LYS O O 5.193 11.862 8.201 . . . 1.0 . . . . . . . . . . . . A . 8 LYS O . . . . . . . . . c34215_6f7o 1 . 15 . 3423 . 1 1 9 LEU C C 5.953 9.751 6.087 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . c34215_6f7o 1 . 15 . 3424 . 1 1 9 LEU CA C 5.494 9.215 7.438 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . c34215_6f7o 1 . 15 . 3425 . 1 1 9 LEU CB C 5.315 7.698 7.364 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . c34215_6f7o 1 . 15 . 3426 . 1 1 9 LEU CD1 C 5.018 5.622 8.739 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . c34215_6f7o 1 . 15 . 3427 . 1 1 9 LEU CD2 C 7.302 6.590 8.418 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . c34215_6f7o 1 . 15 . 3428 . 1 1 9 LEU CG C 5.820 6.903 8.569 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . c34215_6f7o 1 . 15 . 3429 . 1 1 9 LEU H H 3.425 9.319 7.875 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . c34215_6f7o 1 . 15 . 3430 . 1 1 9 LEU HA H 6.246 9.445 8.179 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . c34215_6f7o 1 . 15 . 3431 . 1 1 9 LEU HB2 H 4.261 7.494 7.252 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . c34215_6f7o 1 . 15 . 3432 . 1 1 9 LEU HB3 H 5.842 7.346 6.490 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . c34215_6f7o 1 . 15 . 3433 . 1 1 9 LEU HD11 H 4.574 5.605 9.723 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . c34215_6f7o 1 . 15 . 3434 . 1 1 9 LEU HD12 H 5.671 4.770 8.622 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . c34215_6f7o 1 . 15 . 3435 . 1 1 9 LEU HD13 H 4.240 5.583 7.991 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . c34215_6f7o 1 . 15 . 3436 . 1 1 9 LEU HD21 H 7.732 6.411 9.392 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . c34215_6f7o 1 . 15 . 3437 . 1 1 9 LEU HD22 H 7.801 7.429 7.954 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . c34215_6f7o 1 . 15 . 3438 . 1 1 9 LEU HD23 H 7.423 5.713 7.801 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . c34215_6f7o 1 . 15 . 3439 . 1 1 9 LEU HG H 5.692 7.497 9.464 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . c34215_6f7o 1 . 15 . 3440 . 1 1 9 LEU N N 4.247 9.851 7.855 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . c34215_6f7o 1 . 15 . 3441 . 1 1 9 LEU O O 7.157 9.828 5.850 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . c34215_6f7o 1 . 15 . 3442 . 1 1 10 . C C 5.975 11.980 4.023 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 C . . . . . . . . . c34215_6f7o 1 . 15 . 3443 . 1 1 10 . CA C 5.346 10.596 3.788 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 CA . . . . . . . . . c34215_6f7o 1 . 15 . 3444 . 1 1 10 . CB C 4.037 10.828 2.964 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 CB . . . . . . . . . c34215_6f7o 1 . 15 . 3445 . 1 1 10 . CB1 C 6.304 9.687 2.959 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 CB1 . . . . . . . . . c34215_6f7o 1 . 15 . 3446 . 1 1 10 . CD C 2.026 9.869 1.705 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 CD . . . . . . . . . c34215_6f7o 1 . 15 . 3447 . 1 1 10 . CE C 1.500 8.721 0.869 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 CE . . . . . . . . . c34215_6f7o 1 . 15 . 3448 . 1 1 10 . CG C 3.452 9.590 2.231 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 CG . . . . . . . . . c34215_6f7o 1 . 15 . 3449 . 1 1 10 . HB H 3.273 11.242 3.619 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HB . . . . . . . . . c34215_6f7o 1 . 15 . 3450 . 1 1 10 . HB1 H 5.903 8.676 2.861 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HB1 . . . . . . . . . c34215_6f7o 1 . 15 . 3451 . 1 1 10 . HB1A H 6.461 10.094 1.958 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HB1A . . . . . . . . . c34215_6f7o 1 . 15 . 3452 . 1 1 10 . HB1B H 7.278 9.584 3.432 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HB1B . . . . . . . . . c34215_6f7o 1 . 15 . 3453 . 1 1 10 . HBA H 4.228 11.591 2.204 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HBA . . . . . . . . . c34215_6f7o 1 . 15 . 3454 . 1 1 10 . HD H 1.369 10.088 2.543 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HD . . . . . . . . . c34215_6f7o 1 . 15 . 3455 . 1 1 10 . HDA H 2.047 10.767 1.084 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HDA . . . . . . . . . c34215_6f7o 1 . 15 . 3456 . 1 1 10 . HE H 1.971 8.615 -0.105 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HE . . . . . . . . . c34215_6f7o 1 . 15 . 3457 . 1 1 10 . HG H 4.089 9.333 1.381 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HG . . . . . . . . . c34215_6f7o 1 . 15 . 3458 . 1 1 10 . HGA H 3.430 8.718 2.887 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HGA . . . . . . . . . c34215_6f7o 1 . 15 . 3459 . 1 1 10 . HN H 4.075 9.808 5.319 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HN . . . . . . . . . c34215_6f7o 1 . 15 . 3460 . 1 1 10 . N N 5.044 9.983 5.110 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 N . . . . . . . . . c34215_6f7o 1 . 15 . 3461 . 1 1 10 . O O 6.927 12.415 3.405 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 O . . . . . . . . . c34215_6f7o 1 . 15 . 3462 . 1 1 11 GLN C C 7.228 13.897 6.132 . . . 1.0 . . . . . . . . . . . . A . 11 GLN C . . . . . . . . . c34215_6f7o 1 . 15 . 3463 . 1 1 11 GLN CA C 5.867 14.016 5.453 . . . 1.0 . . . . . . . . . . . . A . 11 GLN CA . . . . . . . . . c34215_6f7o 1 . 15 . 3464 . 1 1 11 GLN CB C 4.858 14.645 6.416 . . . 1.0 . . . . . . . . . . . . A . 11 GLN CB . . . . . . . . . c34215_6f7o 1 . 15 . 3465 . 1 1 11 GLN CD C 5.848 16.853 7.139 . . . 1.0 . . . . . . . . . . . . A . 11 GLN CD . . . . . . . . . c34215_6f7o 1 . 15 . 3466 . 1 1 11 GLN CG C 4.781 16.159 6.315 . . . 1.0 . . . . . . . . . . . . A . 11 GLN CG . . . . . . . . . c34215_6f7o 1 . 15 . 3467 . 1 1 11 GLN H H 4.545 12.368 5.347 . . . 1.0 . . . . . . . . . . . . A . 11 GLN H . . . . . . . . . c34215_6f7o 1 . 15 . 3468 . 1 1 11 GLN HA H 5.965 14.651 4.586 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HA . . . . . . . . . c34215_6f7o 1 . 15 . 3469 . 1 1 11 GLN HB2 H 3.879 14.241 6.206 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HB2 . . . . . . . . . c34215_6f7o 1 . 15 . 3470 . 1 1 11 GLN HB3 H 5.135 14.386 7.428 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HB3 . . . . . . . . . c34215_6f7o 1 . 15 . 3471 . 1 1 11 GLN HE21 H 5.195 15.953 8.787 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HE21 . . . . . . . . . c34215_6f7o 1 . 15 . 3472 . 1 1 11 GLN HE22 H 6.543 17.015 8.993 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HE22 . . . . . . . . . c34215_6f7o 1 . 15 . 3473 . 1 1 11 GLN HG2 H 4.905 16.446 5.282 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HG2 . . . . . . . . . c34215_6f7o 1 . 15 . 3474 . 1 1 11 GLN HG3 H 3.811 16.482 6.664 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HG3 . . . . . . . . . c34215_6f7o 1 . 15 . 3475 . 1 1 11 GLN N N 5.394 12.712 5.004 . . . 1.0 . . . . . . . . . . . . A . 11 GLN N . . . . . . . . . c34215_6f7o 1 . 15 . 3476 . 1 1 11 GLN NE2 N 5.864 16.580 8.438 . . . 1.0 . . . . . . . . . . . . A . 11 GLN NE2 . . . . . . . . . c34215_6f7o 1 . 15 . 3477 . 1 1 11 GLN O O 7.984 14.868 6.206 . . . 1.0 . . . . . . . . . . . . A . 11 GLN O . . . . . . . . . c34215_6f7o 1 . 15 . 3478 . 1 1 11 GLN OE1 O 6.648 17.630 6.613 . . . 1.0 . . . . . . . . . . . . A . 11 GLN OE1 . . . . . . . . . c34215_6f7o 1 . 15 . 3479 . 1 1 12 ALA C C 9.666 11.476 6.500 . . . 1.0 . . . . . . . . . . . . A . 12 ALA C . . . . . . . . . c34215_6f7o 1 . 15 . 3480 . 1 1 12 ALA CA C 8.807 12.456 7.294 . . . 1.0 . . . . . . . . . . . . A . 12 ALA CA . . . . . . . . . c34215_6f7o 1 . 15 . 3481 . 1 1 12 ALA CB C 8.568 11.932 8.701 . . . 1.0 . . . . . . . . . . . . A . 12 ALA CB . . . . . . . . . c34215_6f7o 1 . 15 . 3482 . 1 1 12 ALA H H 6.895 11.968 6.531 . . . 1.0 . . . . . . . . . . . . A . 12 ALA H . . . . . . . . . c34215_6f7o 1 . 15 . 3483 . 1 1 12 ALA HA H 9.332 13.398 7.371 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HA . . . . . . . . . c34215_6f7o 1 . 15 . 3484 . 1 1 12 ALA HB1 H 7.853 11.124 8.666 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB1 . . . . . . . . . c34215_6f7o 1 . 15 . 3485 . 1 1 12 ALA HB2 H 9.499 11.571 9.112 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB2 . . . . . . . . . c34215_6f7o 1 . 15 . 3486 . 1 1 12 ALA HB3 H 8.186 12.727 9.321 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB3 . . . . . . . . . c34215_6f7o 1 . 15 . 3487 . 1 1 12 ALA N N 7.537 12.703 6.623 . . . 1.0 . . . . . . . . . . . . A . 12 ALA N . . . . . . . . . c34215_6f7o 1 . 15 . 3488 . 1 1 12 ALA O O 10.159 10.490 7.042 . . . 1.0 . . . . . . . . . . . . A . 12 ALA O . . . . . . . . . c34215_6f7o 1 . 15 . 3489 . 1 1 13 ALA C C 12.066 11.420 4.227 . . . 1.0 . . . . . . . . . . . . A . 13 ALA C . . . . . . . . . c34215_6f7o 1 . 15 . 3490 . 1 1 13 ALA CA C 10.637 10.901 4.345 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CA . . . . . . . . . c34215_6f7o 1 . 15 . 3491 . 1 1 13 ALA CB C 9.998 10.800 2.967 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CB . . . . . . . . . c34215_6f7o 1 . 15 . 3492 . 1 1 13 ALA H H 9.419 12.559 4.837 . . . 1.0 . . . . . . . . . . . . A . 13 ALA H . . . . . . . . . c34215_6f7o 1 . 15 . 3493 . 1 1 13 ALA HA H 10.659 9.911 4.778 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HA . . . . . . . . . c34215_6f7o 1 . 15 . 3494 . 1 1 13 ALA HB1 H 10.405 11.567 2.325 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB1 . . . . . . . . . c34215_6f7o 1 . 15 . 3495 . 1 1 13 ALA HB2 H 10.205 9.827 2.546 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB2 . . . . . . . . . c34215_6f7o 1 . 15 . 3496 . 1 1 13 ALA HB3 H 8.930 10.934 3.055 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB3 . . . . . . . . . c34215_6f7o 1 . 15 . 3497 . 1 1 13 ALA N N 9.838 11.757 5.211 . . . 1.0 . . . . . . . . . . . . A . 13 ALA N . . . . . . . . . c34215_6f7o 1 . 15 . 3498 . 1 1 13 ALA O O 13.018 10.740 4.617 . . . 1.0 . . . . . . . . . . . . A . 13 ALA O . . . . . . . . . c34215_6f7o 1 . 15 . 3499 . 1 1 14 ARG C C 14.457 12.308 2.745 . . . 1.0 . . . . . . . . . . . . A . 14 ARG C . . . . . . . . . c34215_6f7o 1 . 15 . 3500 . 1 1 14 ARG CA C 13.527 13.233 3.524 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CA . . . . . . . . . c34215_6f7o 1 . 15 . 3501 . 1 1 14 ARG CB C 14.138 13.563 4.885 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CB . . . . . . . . . c34215_6f7o 1 . 15 . 3502 . 1 1 14 ARG CD C 13.154 14.989 6.707 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CD . . . . . . . . . c34215_6f7o 1 . 15 . 3503 . 1 1 14 ARG CG C 13.851 14.980 5.356 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CG . . . . . . . . . c34215_6f7o 1 . 15 . 3504 . 1 1 14 ARG CZ C 11.665 16.929 6.476 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CZ . . . . . . . . . c34215_6f7o 1 . 15 . 3505 . 1 1 14 ARG H H 11.417 13.119 3.401 . . . 1.0 . . . . . . . . . . . . A . 14 ARG H . . . . . . . . . c34215_6f7o 1 . 15 . 3506 . 1 1 14 ARG HA H 13.401 14.150 2.965 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HA . . . . . . . . . c34215_6f7o 1 . 15 . 3507 . 1 1 14 ARG HB2 H 13.744 12.877 5.620 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB2 . . . . . . . . . c34215_6f7o 1 . 15 . 3508 . 1 1 14 ARG HB3 H 15.209 13.438 4.826 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB3 . . . . . . . . . c34215_6f7o 1 . 15 . 3509 . 1 1 14 ARG HD2 H 12.309 14.316 6.665 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD2 . . . . . . . . . c34215_6f7o 1 . 15 . 3510 . 1 1 14 ARG HD3 H 13.852 14.644 7.459 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD3 . . . . . . . . . c34215_6f7o 1 . 15 . 3511 . 1 1 14 ARG HE H 13.150 16.784 7.799 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HE . . . . . . . . . c34215_6f7o 1 . 15 . 3512 . 1 1 14 ARG HG2 H 14.783 15.517 5.442 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG2 . . . . . . . . . c34215_6f7o 1 . 15 . 3513 . 1 1 14 ARG HG3 H 13.218 15.469 4.632 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG3 . . . . . . . . . c34215_6f7o 1 . 15 . 3514 . 1 1 14 ARG HH11 H 10.244 16.785 5.044 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH11 . . . . . . . . . c34215_6f7o 1 . 15 . 3515 . 1 1 14 ARG HH12 H 11.289 15.410 5.198 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH12 . . . . . . . . . c34215_6f7o 1 . 15 . 3516 . 1 1 14 ARG HH21 H 10.526 18.599 6.416 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH21 . . . . . . . . . c34215_6f7o 1 . 15 . 3517 . 1 1 14 ARG HH22 H 11.781 18.600 7.608 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH22 . . . . . . . . . c34215_6f7o 1 . 15 . 3518 . 1 1 14 ARG N N 12.212 12.627 3.692 . . . 1.0 . . . . . . . . . . . . A . 14 ARG N . . . . . . . . . c34215_6f7o 1 . 15 . 3519 . 1 1 14 ARG NE N 12.684 16.320 7.074 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NE . . . . . . . . . c34215_6f7o 1 . 15 . 3520 . 1 1 14 ARG NH1 N 11.013 16.325 5.493 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH1 . . . . . . . . . c34215_6f7o 1 . 15 . 3521 . 1 1 14 ARG NH2 N 11.292 18.141 6.867 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH2 . . . . . . . . . c34215_6f7o 1 . 15 . 3522 . 1 1 14 ARG O O 15.239 11.586 3.360 . . . 1.0 . . . . . . . . . . . . A . 14 ARG O . . . . . . . . . c34215_6f7o 1 . 15 . 3523 . 1 1 15 NH2 HN1 H 13.696 12.965 0.994 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 HN1 . . . . . . . . . c34215_6f7o 1 . 15 . 3524 . 1 1 15 NH2 HN2 H 14.938 11.768 0.859 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 HN2 . . . . . . . . . c34215_6f7o 1 . 15 . 3525 . 1 1 15 NH2 N N 14.355 12.351 1.424 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 N . . . . . . . . . c34215_6f7o 1 . 16 . 3526 . 1 1 1 ACE C C -6.543 2.636 8.355 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . c34215_6f7o 1 . 16 . 3527 . 1 1 1 ACE CH3 C -6.947 1.415 7.604 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . c34215_6f7o 1 . 16 . 3528 . 1 1 1 ACE H1 H -7.880 1.602 7.077 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . c34215_6f7o 1 . 16 . 3529 . 1 1 1 ACE H2 H -6.168 1.157 6.883 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . c34215_6f7o 1 . 16 . 3530 . 1 1 1 ACE H3 H -7.080 0.588 8.303 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . c34215_6f7o 1 . 16 . 3531 . 1 1 1 ACE O O -7.343 3.278 9.035 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . c34215_6f7o 1 . 16 . 3532 . 1 1 2 ASP C C -3.937 5.020 7.924 . . . 1.0 . . . . . . . . . . . . A . 2 ASP C . . . . . . . . . c34215_6f7o 1 . 16 . 3533 . 1 1 2 ASP CA C -4.716 4.148 8.901 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CA . . . . . . . . . c34215_6f7o 1 . 16 . 3534 . 1 1 2 ASP CB C -3.809 3.723 10.058 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CB . . . . . . . . . c34215_6f7o 1 . 16 . 3535 . 1 1 2 ASP CG C -4.524 2.837 11.059 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CG . . . . . . . . . c34215_6f7o 1 . 16 . 3536 . 1 1 2 ASP H H -4.675 2.425 7.674 . . . 1.0 . . . . . . . . . . . . A . 2 ASP H . . . . . . . . . c34215_6f7o 1 . 16 . 3537 . 1 1 2 ASP HA H -5.541 4.722 9.296 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HA . . . . . . . . . c34215_6f7o 1 . 16 . 3538 . 1 1 2 ASP HB2 H -2.964 3.177 9.662 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HB2 . . . . . . . . . c34215_6f7o 1 . 16 . 3539 . 1 1 2 ASP HB3 H -3.455 4.604 10.571 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HB3 . . . . . . . . . c34215_6f7o 1 . 16 . 3540 . 1 1 2 ASP N N -5.264 2.976 8.229 . . . 1.0 . . . . . . . . . . . . A . 2 ASP N . . . . . . . . . c34215_6f7o 1 . 16 . 3541 . 1 1 2 ASP O O -2.712 5.130 7.989 . . . 1.0 . . . . . . . . . . . . A . 2 ASP O . . . . . . . . . c34215_6f7o 1 . 16 . 3542 . 1 1 2 ASP OD1 O -4.683 3.264 12.222 . . . 1.0 . . . . . . . . . . . . A . 2 ASP OD1 . . . . . . . . . c34215_6f7o 1 . 16 . 3543 . 1 1 2 ASP OD2 O -4.926 1.718 10.679 . . . 1.0 . . . . . . . . . . . . A . 2 ASP OD2 . . . . . . . . . c34215_6f7o 1 . 16 . 3544 . 1 1 3 PRO C C -3.516 7.823 6.579 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . c34215_6f7o 1 . 16 . 3545 . 1 1 3 PRO CA C -4.060 6.531 5.978 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . c34215_6f7o 1 . 16 . 3546 . 1 1 3 PRO CB C -5.223 6.829 5.030 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . c34215_6f7o 1 . 16 . 3547 . 1 1 3 PRO CD C -6.125 5.572 6.852 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . c34215_6f7o 1 . 16 . 3548 . 1 1 3 PRO CG C -6.446 6.659 5.864 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . c34215_6f7o 1 . 16 . 3549 . 1 1 3 PRO HA H -3.271 6.026 5.437 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . c34215_6f7o 1 . 16 . 3550 . 1 1 3 PRO HB2 H -5.135 7.839 4.655 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . c34215_6f7o 1 . 16 . 3551 . 1 1 3 PRO HB3 H -5.208 6.131 4.207 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . c34215_6f7o 1 . 16 . 3552 . 1 1 3 PRO HD2 H -6.614 5.763 7.797 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . c34215_6f7o 1 . 16 . 3553 . 1 1 3 PRO HD3 H -6.419 4.609 6.462 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . c34215_6f7o 1 . 16 . 3554 . 1 1 3 PRO HG2 H -6.667 7.581 6.380 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . c34215_6f7o 1 . 16 . 3555 . 1 1 3 PRO HG3 H -7.277 6.366 5.240 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . c34215_6f7o 1 . 16 . 3556 . 1 1 3 PRO N N -4.661 5.657 6.990 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . c34215_6f7o 1 . 16 . 3557 . 1 1 3 PRO O O -2.794 8.568 5.917 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . c34215_6f7o 1 . 16 . 3558 . 1 1 4 GLN C C -1.898 9.286 8.676 . . . 1.0 . . . . . . . . . . . . A . 4 GLN C . . . . . . . . . c34215_6f7o 1 . 16 . 3559 . 1 1 4 GLN CA C -3.416 9.283 8.521 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CA . . . . . . . . . c34215_6f7o 1 . 16 . 3560 . 1 1 4 GLN CB C -4.080 9.393 9.895 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CB . . . . . . . . . c34215_6f7o 1 . 16 . 3561 . 1 1 4 GLN CD C -6.250 9.669 11.163 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CD . . . . . . . . . c34215_6f7o 1 . 16 . 3562 . 1 1 4 GLN CG C -5.534 9.833 9.834 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CG . . . . . . . . . c34215_6f7o 1 . 16 . 3563 . 1 1 4 GLN H H -4.446 7.448 8.309 . . . 1.0 . . . . . . . . . . . . A . 4 GLN H . . . . . . . . . c34215_6f7o 1 . 16 . 3564 . 1 1 4 GLN HA H -3.704 10.135 7.924 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HA . . . . . . . . . c34215_6f7o 1 . 16 . 3565 . 1 1 4 GLN HB2 H -4.037 8.428 10.379 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HB2 . . . . . . . . . c34215_6f7o 1 . 16 . 3566 . 1 1 4 GLN HB3 H -3.535 10.112 10.490 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HB3 . . . . . . . . . c34215_6f7o 1 . 16 . 3567 . 1 1 4 GLN HE21 H -7.300 11.323 10.827 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HE21 . . . . . . . . . c34215_6f7o 1 . 16 . 3568 . 1 1 4 GLN HE22 H -7.625 10.515 12.319 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HE22 . . . . . . . . . c34215_6f7o 1 . 16 . 3569 . 1 1 4 GLN HG2 H -5.571 10.873 9.549 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HG2 . . . . . . . . . c34215_6f7o 1 . 16 . 3570 . 1 1 4 GLN HG3 H -6.045 9.238 9.091 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HG3 . . . . . . . . . c34215_6f7o 1 . 16 . 3571 . 1 1 4 GLN N N -3.869 8.081 7.834 . . . 1.0 . . . . . . . . . . . . A . 4 GLN N . . . . . . . . . c34215_6f7o 1 . 16 . 3572 . 1 1 4 GLN NE2 N -7.148 10.597 11.468 . . . 1.0 . . . . . . . . . . . . A . 4 GLN NE2 . . . . . . . . . c34215_6f7o 1 . 16 . 3573 . 1 1 4 GLN O O -1.209 10.140 8.121 . . . 1.0 . . . . . . . . . . . . A . 4 GLN O . . . . . . . . . c34215_6f7o 1 . 16 . 3574 . 1 1 4 GLN OE1 O -5.995 8.721 11.907 . . . 1.0 . . . . . . . . . . . . A . 4 GLN OE1 . . . . . . . . . c34215_6f7o 1 . 16 . 3575 . 1 1 5 HIS C C 0.800 8.040 8.341 . . . 1.0 . . . . . . . . . . . . A . 5 HIS C . . . . . . . . . c34215_6f7o 1 . 16 . 3576 . 1 1 5 HIS CA C 0.051 8.211 9.660 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CA . . . . . . . . . c34215_6f7o 1 . 16 . 3577 . 1 1 5 HIS CB C 0.354 7.032 10.588 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CB . . . . . . . . . c34215_6f7o 1 . 16 . 3578 . 1 1 5 HIS CD2 C -0.369 4.728 9.647 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CD2 . . . . . . . . . c34215_6f7o 1 . 16 . 3579 . 1 1 5 HIS CE1 C 1.535 4.149 8.723 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CE1 . . . . . . . . . c34215_6f7o 1 . 16 . 3580 . 1 1 5 HIS CG C 0.512 5.730 9.867 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CG . . . . . . . . . c34215_6f7o 1 . 16 . 3581 . 1 1 5 HIS H H -1.988 7.669 9.848 . . . 1.0 . . . . . . . . . . . . A . 5 HIS H . . . . . . . . . c34215_6f7o 1 . 16 . 3582 . 1 1 5 HIS HA H 0.385 9.123 10.132 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HA . . . . . . . . . c34215_6f7o 1 . 16 . 3583 . 1 1 5 HIS HB2 H 1.270 7.230 11.122 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB2 . . . . . . . . . c34215_6f7o 1 . 16 . 3584 . 1 1 5 HIS HB3 H -0.455 6.925 11.297 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB3 . . . . . . . . . c34215_6f7o 1 . 16 . 3585 . 1 1 5 HIS HD1 H 2.531 5.850 9.268 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD1 . . . . . . . . . c34215_6f7o 1 . 16 . 3586 . 1 1 5 HIS HD2 H -1.399 4.696 9.969 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD2 . . . . . . . . . c34215_6f7o 1 . 16 . 3587 . 1 1 5 HIS HE1 H 2.291 3.591 8.190 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HE1 . . . . . . . . . c34215_6f7o 1 . 16 . 3588 . 1 1 5 HIS N N -1.385 8.321 9.433 . . . 1.0 . . . . . . . . . . . . A . 5 HIS N . . . . . . . . . c34215_6f7o 1 . 16 . 3589 . 1 1 5 HIS ND1 N 1.696 5.335 9.278 . . . 1.0 . . . . . . . . . . . . A . 5 HIS ND1 . . . . . . . . . c34215_6f7o 1 . 16 . 3590 . 1 1 5 HIS NE2 N 0.290 3.755 8.932 . . . 1.0 . . . . . . . . . . . . A . 5 HIS NE2 . . . . . . . . . c34215_6f7o 1 . 16 . 3591 . 1 1 5 HIS O O 1.994 8.326 8.286 . . . 1.0 . . . . . . . . . . . . A . 5 HIS O . . . . . . . . . c34215_6f7o 1 . 16 . 3592 . 1 1 6 . C C 1.297 8.663 5.522 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 C . . . . . . . . . c34215_6f7o 1 . 16 . 3593 . 1 1 6 . CA C 0.783 7.283 5.939 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 CA . . . . . . . . . c34215_6f7o 1 . 16 . 3594 . 1 1 6 . CB C -0.233 6.791 4.862 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 CB . . . . . . . . . c34215_6f7o 1 . 16 . 3595 . 1 1 6 . CB1 C 1.907 6.211 6.010 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 CB1 . . . . . . . . . c34215_6f7o 1 . 16 . 3596 . 1 1 6 . CD C -0.214 7.728 2.459 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 CD . . . . . . . . . c34215_6f7o 1 . 16 . 3597 . 1 1 6 . CE C 0.598 7.761 1.180 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 CE . . . . . . . . . c34215_6f7o 1 . 16 . 3598 . 1 1 6 . CG C 0.356 6.671 3.425 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 CG . . . . . . . . . c34215_6f7o 1 . 16 . 3599 . 1 1 6 . HB H -0.637 5.818 5.165 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HB . . . . . . . . . c34215_6f7o 1 . 16 . 3600 . 1 1 6 . HB1 H 2.580 6.237 5.154 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HB1 . . . . . . . . . c34215_6f7o 1 . 16 . 3601 . 1 1 6 . HB1A H 2.516 6.341 6.893 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HB1A . . . . . . . . . c34215_6f7o 1 . 16 . 3602 . 1 1 6 . HB1B H 1.477 5.206 6.070 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HB1B . . . . . . . . . c34215_6f7o 1 . 16 . 3603 . 1 1 6 . HBA H -1.077 7.461 4.814 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HBA . . . . . . . . . c34215_6f7o 1 . 16 . 3604 . 1 1 6 . HD H -1.253 7.481 2.225 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HD . . . . . . . . . c34215_6f7o 1 . 16 . 3605 . 1 1 6 . HDA H -0.234 8.706 2.940 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HDA . . . . . . . . . c34215_6f7o 1 . 16 . 3606 . 1 1 6 . HE H 0.349 6.987 0.461 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HE . . . . . . . . . c34215_6f7o 1 . 16 . 3607 . 1 1 6 . HG H 1.440 6.780 3.427 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HG . . . . . . . . . c34215_6f7o 1 . 16 . 3608 . 1 1 6 . HGA H 0.145 5.676 3.029 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HGA . . . . . . . . . c34215_6f7o 1 . 16 . 3609 . 1 1 6 . HN H -0.760 7.071 7.421 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HN . . . . . . . . . c34215_6f7o 1 . 16 . 3610 . 1 1 6 . N N 0.175 7.432 7.289 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 N . . . . . . . . . c34215_6f7o 1 . 16 . 3611 . 1 1 6 . O O 2.442 8.867 5.188 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 O . . . . . . . . . c34215_6f7o 1 . 16 . 3612 . 1 1 7 ARG C C 1.901 11.573 6.371 . . . 1.0 . . . . . . . . . . . . A . 7 ARG C . . . . . . . . . c34215_6f7o 1 . 16 . 3613 . 1 1 7 ARG CA C 0.758 11.095 5.481 . . . 1.0 . . . . . . . . . . . . A . 7 ARG CA . . . . . . . . . c34215_6f7o 1 . 16 . 3614 . 1 1 7 ARG CB C -0.478 11.969 5.706 . . . 1.0 . . . . . . . . . . . . A . 7 ARG CB . . . . . . . . . c34215_6f7o 1 . 16 . 3615 . 1 1 7 ARG CD C -0.976 14.405 6.067 . . . 1.0 . . . . . . . . . . . . A . 7 ARG CD . . . . . . . . . c34215_6f7o 1 . 16 . 3616 . 1 1 7 ARG CG C -0.339 13.376 5.147 . . . 1.0 . . . . . . . . . . . . A . 7 ARG CG . . . . . . . . . c34215_6f7o 1 . 16 . 3617 . 1 1 7 ARG CZ C -0.338 15.659 8.084 . . . 1.0 . . . . . . . . . . . . A . 7 ARG CZ . . . . . . . . . c34215_6f7o 1 . 16 . 3618 . 1 1 7 ARG H H -0.459 9.455 6.037 . . . 1.0 . . . . . . . . . . . . A . 7 ARG H . . . . . . . . . c34215_6f7o 1 . 16 . 3619 . 1 1 7 ARG HA H 1.064 11.178 4.448 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HA . . . . . . . . . c34215_6f7o 1 . 16 . 3620 . 1 1 7 ARG HB2 H -1.327 11.499 5.231 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HB2 . . . . . . . . . c34215_6f7o 1 . 16 . 3621 . 1 1 7 ARG HB3 H -0.662 12.042 6.767 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HB3 . . . . . . . . . c34215_6f7o 1 . 16 . 3622 . 1 1 7 ARG HD2 H -1.047 15.345 5.540 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HD2 . . . . . . . . . c34215_6f7o 1 . 16 . 3623 . 1 1 7 ARG HD3 H -1.964 14.066 6.336 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HD3 . . . . . . . . . c34215_6f7o 1 . 16 . 3624 . 1 1 7 ARG HE H 0.467 13.923 7.517 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HE . . . . . . . . . c34215_6f7o 1 . 16 . 3625 . 1 1 7 ARG HG2 H 0.711 13.606 5.037 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HG2 . . . . . . . . . c34215_6f7o 1 . 16 . 3626 . 1 1 7 ARG HG3 H -0.822 13.419 4.183 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HG3 . . . . . . . . . c34215_6f7o 1 . 16 . 3627 . 1 1 7 ARG HH11 H -1.332 17.389 8.398 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HH11 . . . . . . . . . c34215_6f7o 1 . 16 . 3628 . 1 1 7 ARG HH12 H -1.790 16.517 6.975 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HH12 . . . . . . . . . c34215_6f7o 1 . 16 . 3629 . 1 1 7 ARG HH21 H 0.301 16.561 9.776 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HH21 . . . . . . . . . c34215_6f7o 1 . 16 . 3630 . 1 1 7 ARG HH22 H 1.080 15.063 9.398 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HH22 . . . . . . . . . c34215_6f7o 1 . 16 . 3631 . 1 1 7 ARG N N 0.444 9.697 5.744 . . . 1.0 . . . . . . . . . . . . A . 7 ARG N . . . . . . . . . c34215_6f7o 1 . 16 . 3632 . 1 1 7 ARG NE N -0.195 14.606 7.286 . . . 1.0 . . . . . . . . . . . . A . 7 ARG NE . . . . . . . . . c34215_6f7o 1 . 16 . 3633 . 1 1 7 ARG NH1 N -1.226 16.599 7.795 . . . 1.0 . . . . . . . . . . . . A . 7 ARG NH1 . . . . . . . . . c34215_6f7o 1 . 16 . 3634 . 1 1 7 ARG NH2 N 0.409 15.770 9.176 . . . 1.0 . . . . . . . . . . . . A . 7 ARG NH2 . . . . . . . . . c34215_6f7o 1 . 16 . 3635 . 1 1 7 ARG O O 2.847 12.205 5.899 . . . 1.0 . . . . . . . . . . . . A . 7 ARG O . . . . . . . . . c34215_6f7o 1 . 16 . 3636 . 1 1 8 LYS C C 4.200 11.129 8.205 . . . 1.0 . . . . . . . . . . . . A . 8 LYS C . . . . . . . . . c34215_6f7o 1 . 16 . 3637 . 1 1 8 LYS CA C 2.832 11.664 8.617 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CA . . . . . . . . . c34215_6f7o 1 . 16 . 3638 . 1 1 8 LYS CB C 2.476 11.156 10.017 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CB . . . . . . . . . c34215_6f7o 1 . 16 . 3639 . 1 1 8 LYS CD C 4.280 12.509 11.125 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CD . . . . . . . . . c34215_6f7o 1 . 16 . 3640 . 1 1 8 LYS CE C 3.323 13.483 11.796 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CE . . . . . . . . . c34215_6f7o 1 . 16 . 3641 . 1 1 8 LYS CG C 3.657 11.131 10.974 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CG . . . . . . . . . c34215_6f7o 1 . 16 . 3642 . 1 1 8 LYS H H 1.029 10.761 7.975 . . . 1.0 . . . . . . . . . . . . A . 8 LYS H . . . . . . . . . c34215_6f7o 1 . 16 . 3643 . 1 1 8 LYS HA H 2.872 12.743 8.635 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HA . . . . . . . . . c34215_6f7o 1 . 16 . 3644 . 1 1 8 LYS HB2 H 1.714 11.796 10.435 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB2 . . . . . . . . . c34215_6f7o 1 . 16 . 3645 . 1 1 8 LYS HB3 H 2.087 10.152 9.935 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB3 . . . . . . . . . c34215_6f7o 1 . 16 . 3646 . 1 1 8 LYS HD2 H 5.171 12.428 11.727 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD2 . . . . . . . . . c34215_6f7o 1 . 16 . 3647 . 1 1 8 LYS HD3 H 4.538 12.888 10.146 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD3 . . . . . . . . . c34215_6f7o 1 . 16 . 3648 . 1 1 8 LYS HE2 H 2.429 13.562 11.194 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE2 . . . . . . . . . c34215_6f7o 1 . 16 . 3649 . 1 1 8 LYS HE3 H 3.067 13.100 12.773 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE3 . . . . . . . . . c34215_6f7o 1 . 16 . 3650 . 1 1 8 LYS HG2 H 3.317 10.795 11.941 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG2 . . . . . . . . . c34215_6f7o 1 . 16 . 3651 . 1 1 8 LYS HG3 H 4.403 10.449 10.595 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG3 . . . . . . . . . c34215_6f7o 1 . 16 . 3652 . 1 1 8 LYS HZ1 H 4.506 14.874 12.809 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ1 . . . . . . . . . c34215_6f7o 1 . 16 . 3653 . 1 1 8 LYS HZ2 H 3.177 15.556 12.018 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ2 . . . . . . . . . c34215_6f7o 1 . 16 . 3654 . 1 1 8 LYS HZ3 H 4.525 15.055 11.129 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ3 . . . . . . . . . c34215_6f7o 1 . 16 . 3655 . 1 1 8 LYS N N 1.807 11.268 7.661 . . . 1.0 . . . . . . . . . . . . A . 8 LYS N . . . . . . . . . c34215_6f7o 1 . 16 . 3656 . 1 1 8 LYS NZ N 3.925 14.837 11.949 . . . 1.0 . . . . . . . . . . . . A . 8 LYS NZ . . . . . . . . . c34215_6f7o 1 . 16 . 3657 . 1 1 8 LYS O O 5.190 11.861 8.200 . . . 1.0 . . . . . . . . . . . . A . 8 LYS O . . . . . . . . . c34215_6f7o 1 . 16 . 3658 . 1 1 9 LEU C C 5.952 9.752 6.087 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . c34215_6f7o 1 . 16 . 3659 . 1 1 9 LEU CA C 5.495 9.214 7.440 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . c34215_6f7o 1 . 16 . 3660 . 1 1 9 LEU CB C 5.317 7.697 7.364 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . c34215_6f7o 1 . 16 . 3661 . 1 1 9 LEU CD1 C 5.012 5.626 8.747 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . c34215_6f7o 1 . 16 . 3662 . 1 1 9 LEU CD2 C 7.300 6.581 8.420 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . c34215_6f7o 1 . 16 . 3663 . 1 1 9 LEU CG C 5.820 6.902 8.571 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . c34215_6f7o 1 . 16 . 3664 . 1 1 9 LEU H H 3.427 9.313 7.880 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . c34215_6f7o 1 . 16 . 3665 . 1 1 9 LEU HA H 6.247 9.445 8.177 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . c34215_6f7o 1 . 16 . 3666 . 1 1 9 LEU HB2 H 4.265 7.491 7.251 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . c34215_6f7o 1 . 16 . 3667 . 1 1 9 LEU HB3 H 5.849 7.345 6.492 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . c34215_6f7o 1 . 16 . 3668 . 1 1 9 LEU HD11 H 4.560 5.618 9.727 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . c34215_6f7o 1 . 16 . 3669 . 1 1 9 LEU HD12 H 5.662 4.771 8.640 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . c34215_6f7o 1 . 16 . 3670 . 1 1 9 LEU HD13 H 4.239 5.587 7.992 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . c34215_6f7o 1 . 16 . 3671 . 1 1 9 LEU HD21 H 7.482 6.179 7.433 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . c34215_6f7o 1 . 16 . 3672 . 1 1 9 LEU HD22 H 7.589 5.852 9.163 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . c34215_6f7o 1 . 16 . 3673 . 1 1 9 LEU HD23 H 7.881 7.483 8.555 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . c34215_6f7o 1 . 16 . 3674 . 1 1 9 LEU HG H 5.697 7.501 9.464 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . c34215_6f7o 1 . 16 . 3675 . 1 1 9 LEU N N 4.247 9.848 7.855 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . c34215_6f7o 1 . 16 . 3676 . 1 1 9 LEU O O 7.157 9.832 5.847 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . c34215_6f7o 1 . 16 . 3677 . 1 1 10 . C C 5.974 11.987 4.023 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 C . . . . . . . . . c34215_6f7o 1 . 16 . 3678 . 1 1 10 . CA C 5.370 10.596 3.785 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 CA . . . . . . . . . c34215_6f7o 1 . 16 . 3679 . 1 1 10 . CB C 4.066 10.796 2.949 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 CB . . . . . . . . . c34215_6f7o 1 . 16 . 3680 . 1 1 10 . CB1 C 6.372 9.724 2.965 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 CB1 . . . . . . . . . c34215_6f7o 1 . 16 . 3681 . 1 1 10 . CD C 2.079 9.781 1.709 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 CD . . . . . . . . . c34215_6f7o 1 . 16 . 3682 . 1 1 10 . CE C 1.576 8.623 0.871 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 CE . . . . . . . . . c34215_6f7o 1 . 16 . 3683 . 1 1 10 . CG C 3.504 9.529 2.246 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 CG . . . . . . . . . c34215_6f7o 1 . 16 . 3684 . 1 1 10 . HB H 3.294 11.219 3.592 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HB . . . . . . . . . c34215_6f7o 1 . 16 . 3685 . 1 1 10 . HB1 H 6.051 8.682 2.928 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HB1 . . . . . . . . . c34215_6f7o 1 . 16 . 3686 . 1 1 10 . HB1A H 6.457 10.095 1.940 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HB1A . . . . . . . . . c34215_6f7o 1 . 16 . 3687 . 1 1 10 . HB1B H 7.375 9.745 3.394 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HB1B . . . . . . . . . c34215_6f7o 1 . 16 . 3688 . 1 1 10 . HBA H 4.256 11.543 2.171 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HBA . . . . . . . . . c34215_6f7o 1 . 16 . 3689 . 1 1 10 . HD H 1.413 9.993 2.545 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HD . . . . . . . . . c34215_6f7o 1 . 16 . 3690 . 1 1 10 . HDA H 2.088 10.678 1.085 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HDA . . . . . . . . . c34215_6f7o 1 . 16 . 3691 . 1 1 10 . HE H 2.072 8.506 -0.088 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HE . . . . . . . . . c34215_6f7o 1 . 16 . 3692 . 1 1 10 . HG H 4.150 9.260 1.408 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HG . . . . . . . . . c34215_6f7o 1 . 16 . 3693 . 1 1 10 . HGA H 3.493 8.677 2.928 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HGA . . . . . . . . . c34215_6f7o 1 . 16 . 3694 . 1 1 10 . HN H 4.083 9.797 5.297 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HN . . . . . . . . . c34215_6f7o 1 . 16 . 3695 . 1 1 10 . N N 5.053 9.976 5.102 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 N . . . . . . . . . c34215_6f7o 1 . 16 . 3696 . 1 1 10 . O O 6.937 12.418 3.424 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 O . . . . . . . . . c34215_6f7o 1 . 16 . 3697 . 1 1 11 GLN C C 7.225 13.898 6.127 . . . 1.0 . . . . . . . . . . . . A . 11 GLN C . . . . . . . . . c34215_6f7o 1 . 16 . 3698 . 1 1 11 GLN CA C 5.860 14.015 5.456 . . . 1.0 . . . . . . . . . . . . A . 11 GLN CA . . . . . . . . . c34215_6f7o 1 . 16 . 3699 . 1 1 11 GLN CB C 4.854 14.640 6.425 . . . 1.0 . . . . . . . . . . . . A . 11 GLN CB . . . . . . . . . c34215_6f7o 1 . 16 . 3700 . 1 1 11 GLN CD C 5.202 16.841 7.615 . . . 1.0 . . . . . . . . . . . . A . 11 GLN CD . . . . . . . . . c34215_6f7o 1 . 16 . 3701 . 1 1 11 GLN CG C 4.780 16.154 6.331 . . . 1.0 . . . . . . . . . . . . A . 11 GLN CG . . . . . . . . . c34215_6f7o 1 . 16 . 3702 . 1 1 11 GLN H H 4.539 12.364 5.353 . . . 1.0 . . . . . . . . . . . . A . 11 GLN H . . . . . . . . . c34215_6f7o 1 . 16 . 3703 . 1 1 11 GLN HA H 5.953 14.651 4.589 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HA . . . . . . . . . c34215_6f7o 1 . 16 . 3704 . 1 1 11 GLN HB2 H 3.874 14.239 6.214 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HB2 . . . . . . . . . c34215_6f7o 1 . 16 . 3705 . 1 1 11 GLN HB3 H 5.133 14.376 7.433 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HB3 . . . . . . . . . c34215_6f7o 1 . 16 . 3706 . 1 1 11 GLN HE21 H 3.493 16.317 8.485 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HE21 . . . . . . . . . c34215_6f7o 1 . 16 . 3707 . 1 1 11 GLN HE22 H 4.588 17.225 9.466 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HE22 . . . . . . . . . c34215_6f7o 1 . 16 . 3708 . 1 1 11 GLN HG2 H 5.429 16.486 5.534 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HG2 . . . . . . . . . c34215_6f7o 1 . 16 . 3709 . 1 1 11 GLN HG3 H 3.763 16.439 6.105 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HG3 . . . . . . . . . c34215_6f7o 1 . 16 . 3710 . 1 1 11 GLN N N 5.387 12.712 5.006 . . . 1.0 . . . . . . . . . . . . A . 11 GLN N . . . . . . . . . c34215_6f7o 1 . 16 . 3711 . 1 1 11 GLN NE2 N 4.341 16.789 8.625 . . . 1.0 . . . . . . . . . . . . A . 11 GLN NE2 . . . . . . . . . c34215_6f7o 1 . 16 . 3712 . 1 1 11 GLN O O 7.977 14.868 6.197 . . . 1.0 . . . . . . . . . . . . A . 11 GLN O . . . . . . . . . c34215_6f7o 1 . 16 . 3713 . 1 1 11 GLN OE1 O 6.290 17.411 7.700 . . . 1.0 . . . . . . . . . . . . A . 11 GLN OE1 . . . . . . . . . c34215_6f7o 1 . 16 . 3714 . 1 1 12 ALA C C 9.960 12.462 6.282 . . . 1.0 . . . . . . . . . . . . A . 12 ALA C . . . . . . . . . c34215_6f7o 1 . 16 . 3715 . 1 1 12 ALA CA C 8.811 12.460 7.282 . . . 1.0 . . . . . . . . . . . . A . 12 ALA CA . . . . . . . . . c34215_6f7o 1 . 16 . 3716 . 1 1 12 ALA CB C 8.768 11.136 8.034 . . . 1.0 . . . . . . . . . . . . A . 12 ALA CB . . . . . . . . . c34215_6f7o 1 . 16 . 3717 . 1 1 12 ALA H H 6.892 11.969 6.530 . . . 1.0 . . . . . . . . . . . . A . 12 ALA H . . . . . . . . . c34215_6f7o 1 . 16 . 3718 . 1 1 12 ALA HA H 8.969 13.249 8.003 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HA . . . . . . . . . c34215_6f7o 1 . 16 . 3719 . 1 1 12 ALA HB1 H 9.451 11.178 8.871 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB1 . . . . . . . . . c34215_6f7o 1 . 16 . 3720 . 1 1 12 ALA HB2 H 7.766 10.960 8.395 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB2 . . . . . . . . . c34215_6f7o 1 . 16 . 3721 . 1 1 12 ALA HB3 H 9.058 10.336 7.373 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB3 . . . . . . . . . c34215_6f7o 1 . 16 . 3722 . 1 1 12 ALA N N 7.536 12.703 6.619 . . . 1.0 . . . . . . . . . . . . A . 12 ALA N . . . . . . . . . c34215_6f7o 1 . 16 . 3723 . 1 1 12 ALA O O 10.932 13.201 6.441 . . . 1.0 . . . . . . . . . . . . A . 12 ALA O . . . . . . . . . c34215_6f7o 1 . 16 . 3724 . 1 1 13 ALA C C 10.887 12.792 3.347 . . . 1.0 . . . . . . . . . . . . A . 13 ALA C . . . . . . . . . c34215_6f7o 1 . 16 . 3725 . 1 1 13 ALA CA C 10.873 11.543 4.222 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CA . . . . . . . . . c34215_6f7o 1 . 16 . 3726 . 1 1 13 ALA CB C 10.660 10.302 3.367 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CB . . . . . . . . . c34215_6f7o 1 . 16 . 3727 . 1 1 13 ALA H H 9.047 11.072 5.176 . . . 1.0 . . . . . . . . . . . . A . 13 ALA H . . . . . . . . . c34215_6f7o 1 . 16 . 3728 . 1 1 13 ALA HA H 11.829 11.452 4.714 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HA . . . . . . . . . c34215_6f7o 1 . 16 . 3729 . 1 1 13 ALA HB1 H 10.395 9.470 4.005 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB1 . . . . . . . . . c34215_6f7o 1 . 16 . 3730 . 1 1 13 ALA HB2 H 9.863 10.484 2.662 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB2 . . . . . . . . . c34215_6f7o 1 . 16 . 3731 . 1 1 13 ALA HB3 H 11.570 10.072 2.833 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB3 . . . . . . . . . c34215_6f7o 1 . 16 . 3732 . 1 1 13 ALA N N 9.844 11.633 5.248 . . . 1.0 . . . . . . . . . . . . A . 13 ALA N . . . . . . . . . c34215_6f7o 1 . 16 . 3733 . 1 1 13 ALA O O 10.052 12.948 2.456 . . . 1.0 . . . . . . . . . . . . A . 13 ALA O . . . . . . . . . c34215_6f7o 1 . 16 . 3734 . 1 1 14 ARG C C 12.815 14.707 1.599 . . . 1.0 . . . . . . . . . . . . A . 14 ARG C . . . . . . . . . c34215_6f7o 1 . 16 . 3735 . 1 1 14 ARG CA C 11.962 14.918 2.845 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CA . . . . . . . . . c34215_6f7o 1 . 16 . 3736 . 1 1 14 ARG CB C 12.573 16.020 3.714 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CB . . . . . . . . . c34215_6f7o 1 . 16 . 3737 . 1 1 14 ARG CD C 13.247 18.412 3.333 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CD . . . . . . . . . c34215_6f7o 1 . 16 . 3738 . 1 1 14 ARG CG C 12.097 17.416 3.349 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CG . . . . . . . . . c34215_6f7o 1 . 16 . 3739 . 1 1 14 ARG CZ C 13.735 20.599 4.341 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CZ . . . . . . . . . c34215_6f7o 1 . 16 . 3740 . 1 1 14 ARG H H 12.478 13.502 4.331 . . . 1.0 . . . . . . . . . . . . A . 14 ARG H . . . . . . . . . c34215_6f7o 1 . 16 . 3741 . 1 1 14 ARG HA H 10.970 15.220 2.542 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HA . . . . . . . . . c34215_6f7o 1 . 16 . 3742 . 1 1 14 ARG HB2 H 12.316 15.833 4.747 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB2 . . . . . . . . . c34215_6f7o 1 . 16 . 3743 . 1 1 14 ARG HB3 H 13.647 15.993 3.608 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB3 . . . . . . . . . c34215_6f7o 1 . 16 . 3744 . 1 1 14 ARG HD2 H 14.063 18.006 3.913 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD2 . . . . . . . . . c34215_6f7o 1 . 16 . 3745 . 1 1 14 ARG HD3 H 13.566 18.553 2.312 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD3 . . . . . . . . . c34215_6f7o 1 . 16 . 3746 . 1 1 14 ARG HE H 11.907 19.913 3.939 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HE . . . . . . . . . c34215_6f7o 1 . 16 . 3747 . 1 1 14 ARG HG2 H 11.645 17.390 2.370 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG2 . . . . . . . . . c34215_6f7o 1 . 16 . 3748 . 1 1 14 ARG HG3 H 11.364 17.737 4.077 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG3 . . . . . . . . . c34215_6f7o 1 . 16 . 3749 . 1 1 14 ARG HH11 H 15.689 21.021 4.631 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH11 . . . . . . . . . c34215_6f7o 1 . 16 . 3750 . 1 1 14 ARG HH12 H 15.360 19.476 3.920 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH12 . . . . . . . . . c34215_6f7o 1 . 16 . 3751 . 1 1 14 ARG HH21 H 13.963 22.427 5.176 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH21 . . . . . . . . . c34215_6f7o 1 . 16 . 3752 . 1 1 14 ARG HH22 H 12.328 21.948 4.875 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH22 . . . . . . . . . c34215_6f7o 1 . 16 . 3753 . 1 1 14 ARG N N 11.841 13.682 3.608 . . . 1.0 . . . . . . . . . . . . A . 14 ARG N . . . . . . . . . c34215_6f7o 1 . 16 . 3754 . 1 1 14 ARG NE N 12.862 19.704 3.894 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NE . . . . . . . . . c34215_6f7o 1 . 16 . 3755 . 1 1 14 ARG NH1 N 15.034 20.345 4.294 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH1 . . . . . . . . . c34215_6f7o 1 . 16 . 3756 . 1 1 14 ARG NH2 N 13.307 21.753 4.838 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH2 . . . . . . . . . c34215_6f7o 1 . 16 . 3757 . 1 1 14 ARG O O 13.780 13.948 1.650 . . . 1.0 . . . . . . . . . . . . A . 14 ARG O . . . . . . . . . c34215_6f7o 1 . 16 . 3758 . 1 1 15 NH2 HN1 H 11.645 15.978 0.549 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 HN1 . . . . . . . . . c34215_6f7o 1 . 16 . 3759 . 1 1 15 NH2 HN2 H 12.962 15.279 -0.334 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 HN2 . . . . . . . . . c34215_6f7o 1 . 16 . 3760 . 1 1 15 NH2 N N 12.443 15.376 0.515 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 N . . . . . . . . . c34215_6f7o 1 . 17 . 3761 . 1 1 1 ACE C C -5.381 3.249 12.456 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . c34215_6f7o 1 . 17 . 3762 . 1 1 1 ACE CH3 C -4.628 2.712 13.625 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . c34215_6f7o 1 . 17 . 3763 . 1 1 1 ACE H1 H -5.064 3.095 14.545 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . c34215_6f7o 1 . 17 . 3764 . 1 1 1 ACE H2 H -4.680 1.623 13.621 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . c34215_6f7o 1 . 17 . 3765 . 1 1 1 ACE H3 H -3.585 3.024 13.559 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . c34215_6f7o 1 . 17 . 3766 . 1 1 1 ACE O O -6.407 2.710 12.038 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . c34215_6f7o 1 . 17 . 3767 . 1 1 2 ASP C C -4.438 5.327 9.696 . . . 1.0 . . . . . . . . . . . . A . 2 ASP C . . . . . . . . . c34215_6f7o 1 . 17 . 3768 . 1 1 2 ASP CA C -5.482 4.985 10.756 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CA . . . . . . . . . c34215_6f7o 1 . 17 . 3769 . 1 1 2 ASP CB C -6.219 6.254 11.191 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CB . . . . . . . . . c34215_6f7o 1 . 17 . 3770 . 1 1 2 ASP CG C -7.720 6.056 11.265 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CG . . . . . . . . . c34215_6f7o 1 . 17 . 3771 . 1 1 2 ASP H H -4.044 4.723 12.285 . . . 1.0 . . . . . . . . . . . . A . 2 ASP H . . . . . . . . . c34215_6f7o 1 . 17 . 3772 . 1 1 2 ASP HA H -6.195 4.294 10.333 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HA . . . . . . . . . c34215_6f7o 1 . 17 . 3773 . 1 1 2 ASP HB2 H -5.866 6.551 12.168 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HB2 . . . . . . . . . c34215_6f7o 1 . 17 . 3774 . 1 1 2 ASP HB3 H -6.013 7.043 10.483 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HB3 . . . . . . . . . c34215_6f7o 1 . 17 . 3775 . 1 1 2 ASP N N -4.862 4.341 11.908 . . . 1.0 . . . . . . . . . . . . A . 2 ASP N . . . . . . . . . c34215_6f7o 1 . 17 . 3776 . 1 1 2 ASP O O -3.242 5.400 9.971 . . . 1.0 . . . . . . . . . . . . A . 2 ASP O . . . . . . . . . c34215_6f7o 1 . 17 . 3777 . 1 1 2 ASP OD1 O -8.260 5.298 10.430 . . . 1.0 . . . . . . . . . . . . A . 2 ASP OD1 . . . . . . . . . c34215_6f7o 1 . 17 . 3778 . 1 1 2 ASP OD2 O -8.356 6.655 12.157 . . . 1.0 . . . . . . . . . . . . A . 2 ASP OD2 . . . . . . . . . c34215_6f7o 1 . 17 . 3779 . 1 1 3 PRO C C -3.434 7.276 7.456 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . c34215_6f7o 1 . 17 . 3780 . 1 1 3 PRO CA C -4.026 5.877 7.333 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . c34215_6f7o 1 . 17 . 3781 . 1 1 3 PRO CB C -4.958 5.798 6.119 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . c34215_6f7o 1 . 17 . 3782 . 1 1 3 PRO CD C -6.319 5.471 8.057 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . c34215_6f7o 1 . 17 . 3783 . 1 1 3 PRO CG C -6.318 6.052 6.671 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . c34215_6f7o 1 . 17 . 3784 . 1 1 3 PRO HA H -3.229 5.158 7.221 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . c34215_6f7o 1 . 17 . 3785 . 1 1 3 PRO HB2 H -4.677 6.550 5.395 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . c34215_6f7o 1 . 17 . 3786 . 1 1 3 PRO HB3 H -4.890 4.818 5.674 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . c34215_6f7o 1 . 17 . 3787 . 1 1 3 PRO HD2 H -6.933 6.067 8.716 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . c34215_6f7o 1 . 17 . 3788 . 1 1 3 PRO HD3 H -6.663 4.448 8.038 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . c34215_6f7o 1 . 17 . 3789 . 1 1 3 PRO HG2 H -6.507 7.114 6.709 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . c34215_6f7o 1 . 17 . 3790 . 1 1 3 PRO HG3 H -7.060 5.560 6.059 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . c34215_6f7o 1 . 17 . 3791 . 1 1 3 PRO N N -4.902 5.540 8.457 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . c34215_6f7o 1 . 17 . 3792 . 1 1 3 PRO O O -2.558 7.661 6.680 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . c34215_6f7o 1 . 17 . 3793 . 1 1 4 GLN C C -1.920 9.401 8.878 . . . 1.0 . . . . . . . . . . . . A . 4 GLN C . . . . . . . . . c34215_6f7o 1 . 17 . 3794 . 1 1 4 GLN CA C -3.430 9.390 8.663 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CA . . . . . . . . . c34215_6f7o 1 . 17 . 3795 . 1 1 4 GLN CB C -4.136 10.010 9.868 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CB . . . . . . . . . c34215_6f7o 1 . 17 . 3796 . 1 1 4 GLN CD C -5.306 12.196 9.377 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CD . . . . . . . . . c34215_6f7o 1 . 17 . 3797 . 1 1 4 GLN CG C -4.052 11.529 9.908 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CG . . . . . . . . . c34215_6f7o 1 . 17 . 3798 . 1 1 4 GLN H H -4.610 7.670 9.023 . . . 1.0 . . . . . . . . . . . . A . 4 GLN H . . . . . . . . . c34215_6f7o 1 . 17 . 3799 . 1 1 4 GLN HA H -3.659 9.974 7.785 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HA . . . . . . . . . c34215_6f7o 1 . 17 . 3800 . 1 1 4 GLN HB2 H -5.176 9.730 9.847 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HB2 . . . . . . . . . c34215_6f7o 1 . 17 . 3801 . 1 1 4 GLN HB3 H -3.685 9.624 10.773 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HB3 . . . . . . . . . c34215_6f7o 1 . 17 . 3802 . 1 1 4 GLN HE21 H -6.348 11.528 10.931 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HE21 . . . . . . . . . c34215_6f7o 1 . 17 . 3803 . 1 1 4 GLN HE22 H -7.231 12.469 9.784 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HE22 . . . . . . . . . c34215_6f7o 1 . 17 . 3804 . 1 1 4 GLN HG2 H -3.902 11.843 10.930 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HG2 . . . . . . . . . c34215_6f7o 1 . 17 . 3805 . 1 1 4 GLN HG3 H -3.212 11.844 9.309 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HG3 . . . . . . . . . c34215_6f7o 1 . 17 . 3806 . 1 1 4 GLN N N -3.914 8.033 8.437 . . . 1.0 . . . . . . . . . . . . A . 4 GLN N . . . . . . . . . c34215_6f7o 1 . 17 . 3807 . 1 1 4 GLN NE2 N -6.407 12.049 10.103 . . . 1.0 . . . . . . . . . . . . A . 4 GLN NE2 . . . . . . . . . c34215_6f7o 1 . 17 . 3808 . 1 1 4 GLN O O -1.253 10.405 8.628 . . . 1.0 . . . . . . . . . . . . A . 4 GLN O . . . . . . . . . c34215_6f7o 1 . 17 . 3809 . 1 1 4 GLN OE1 O -5.283 12.834 8.325 . . . 1.0 . . . . . . . . . . . . A . 4 GLN OE1 . . . . . . . . . c34215_6f7o 1 . 17 . 3810 . 1 1 5 HIS C C 0.812 7.990 8.291 . . . 1.0 . . . . . . . . . . . . A . 5 HIS C . . . . . . . . . c34215_6f7o 1 . 17 . 3811 . 1 1 5 HIS CA C 0.045 8.157 9.597 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CA . . . . . . . . . c34215_6f7o 1 . 17 . 3812 . 1 1 5 HIS CB C 0.326 6.973 10.522 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CB . . . . . . . . . c34215_6f7o 1 . 17 . 3813 . 1 1 5 HIS CD2 C -0.238 4.925 9.036 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CD2 . . . . . . . . . c34215_6f7o 1 . 17 . 3814 . 1 1 5 HIS CE1 C 1.726 3.953 9.069 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CE1 . . . . . . . . . c34215_6f7o 1 . 17 . 3815 . 1 1 5 HIS CG C 0.582 5.692 9.792 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CG . . . . . . . . . c34215_6f7o 1 . 17 . 3816 . 1 1 5 HIS H H -1.969 7.509 9.530 . . . 1.0 . . . . . . . . . . . . A . 5 HIS H . . . . . . . . . c34215_6f7o 1 . 17 . 3817 . 1 1 5 HIS HA H 0.375 9.065 10.080 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HA . . . . . . . . . c34215_6f7o 1 . 17 . 3818 . 1 1 5 HIS HB2 H 1.198 7.192 11.122 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB2 . . . . . . . . . c34215_6f7o 1 . 17 . 3819 . 1 1 5 HIS HB3 H -0.525 6.822 11.173 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB3 . . . . . . . . . c34215_6f7o 1 . 17 . 3820 . 1 1 5 HIS HD1 H 2.611 5.364 10.257 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD1 . . . . . . . . . c34215_6f7o 1 . 17 . 3821 . 1 1 5 HIS HD2 H -1.279 5.120 8.817 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD2 . . . . . . . . . c34215_6f7o 1 . 17 . 3822 . 1 1 5 HIS HE1 H 2.530 3.255 8.889 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HE1 . . . . . . . . . c34215_6f7o 1 . 17 . 3823 . 1 1 5 HIS N N -1.387 8.276 9.348 . . . 1.0 . . . . . . . . . . . . A . 5 HIS N . . . . . . . . . c34215_6f7o 1 . 17 . 3824 . 1 1 5 HIS ND1 N 1.805 5.055 9.794 . . . 1.0 . . . . . . . . . . . . A . 5 HIS ND1 . . . . . . . . . c34215_6f7o 1 . 17 . 3825 . 1 1 5 HIS NE2 N 0.498 3.851 8.598 . . . 1.0 . . . . . . . . . . . . A . 5 HIS NE2 . . . . . . . . . c34215_6f7o 1 . 17 . 3826 . 1 1 5 HIS O O 2.006 8.287 8.252 . . . 1.0 . . . . . . . . . . . . A . 5 HIS O . . . . . . . . . c34215_6f7o 1 . 17 . 3827 . 1 1 6 . C C 1.345 8.615 5.481 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 C . . . . . . . . . c34215_6f7o 1 . 17 . 3828 . 1 1 6 . CA C 0.805 7.247 5.891 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 CA . . . . . . . . . c34215_6f7o 1 . 17 . 3829 . 1 1 6 . CB C -0.233 6.803 4.812 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 CB . . . . . . . . . c34215_6f7o 1 . 17 . 3830 . 1 1 6 . CB1 C 1.901 6.148 5.982 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 CB1 . . . . . . . . . c34215_6f7o 1 . 17 . 3831 . 1 1 6 . CD C -0.188 7.732 2.406 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 CD . . . . . . . . . c34215_6f7o 1 . 17 . 3832 . 1 1 6 . CE C 0.638 7.766 1.136 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 CE . . . . . . . . . c34215_6f7o 1 . 17 . 3833 . 1 1 6 . CG C 0.363 6.670 3.380 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 CG . . . . . . . . . c34215_6f7o 1 . 17 . 3834 . 1 1 6 . HB H -0.668 5.842 5.106 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HB . . . . . . . . . c34215_6f7o 1 . 17 . 3835 . 1 1 6 . HB1 H 1.447 5.157 6.050 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HB1 . . . . . . . . . c34215_6f7o 1 . 17 . 3836 . 1 1 6 . HB1A H 2.576 6.153 5.127 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HB1A . . . . . . . . . c34215_6f7o 1 . 17 . 3837 . 1 1 6 . HB1B H 2.508 6.269 6.872 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HB1B . . . . . . . . . c34215_6f7o 1 . 17 . 3838 . 1 1 6 . HBA H -1.062 7.508 4.774 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HBA . . . . . . . . . c34215_6f7o 1 . 17 . 3839 . 1 1 6 . HD H -1.224 7.488 2.160 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HD . . . . . . . . . c34215_6f7o 1 . 17 . 3840 . 1 1 6 . HDA H -0.210 8.706 2.892 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HDA . . . . . . . . . c34215_6f7o 1 . 17 . 3841 . 1 1 6 . HE H 0.400 6.991 0.415 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HE . . . . . . . . . c34215_6f7o 1 . 17 . 3842 . 1 1 6 . HG H 1.450 6.765 3.391 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HG . . . . . . . . . c34215_6f7o 1 . 17 . 3843 . 1 1 6 . HGA H 0.147 5.675 2.986 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HGA . . . . . . . . . c34215_6f7o 1 . 17 . 3844 . 1 1 6 . HN H -0.781 7.162 7.318 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HN . . . . . . . . . c34215_6f7o 1 . 17 . 3845 . 1 1 6 . N N 0.193 7.416 7.228 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 N . . . . . . . . . c34215_6f7o 1 . 17 . 3846 . 1 1 6 . O O 2.495 8.810 5.167 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 O . . . . . . . . . c34215_6f7o 1 . 17 . 3847 . 1 1 7 ARG C C 1.906 11.536 6.318 . . . 1.0 . . . . . . . . . . . . A . 7 ARG C . . . . . . . . . c34215_6f7o 1 . 17 . 3848 . 1 1 7 ARG CA C 0.782 11.041 5.412 . . . 1.0 . . . . . . . . . . . . A . 7 ARG CA . . . . . . . . . c34215_6f7o 1 . 17 . 3849 . 1 1 7 ARG CB C -0.467 11.901 5.615 . . . 1.0 . . . . . . . . . . . . A . 7 ARG CB . . . . . . . . . c34215_6f7o 1 . 17 . 3850 . 1 1 7 ARG CD C -0.803 14.354 6.055 . . . 1.0 . . . . . . . . . . . . A . 7 ARG CD . . . . . . . . . c34215_6f7o 1 . 17 . 3851 . 1 1 7 ARG CG C -0.333 13.309 5.054 . . . 1.0 . . . . . . . . . . . . A . 7 ARG CG . . . . . . . . . c34215_6f7o 1 . 17 . 3852 . 1 1 7 ARG CZ C -1.925 16.081 4.714 . . . 1.0 . . . . . . . . . . . . A . 7 ARG CZ . . . . . . . . . c34215_6f7o 1 . 17 . 3853 . 1 1 7 ARG H H -0.428 9.391 5.951 . . . 1.0 . . . . . . . . . . . . A . 7 ARG H . . . . . . . . . c34215_6f7o 1 . 17 . 3854 . 1 1 7 ARG HA H 1.105 11.124 4.384 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HA . . . . . . . . . c34215_6f7o 1 . 17 . 3855 . 1 1 7 ARG HB2 H -1.302 11.423 5.127 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HB2 . . . . . . . . . c34215_6f7o 1 . 17 . 3856 . 1 1 7 ARG HB3 H -0.669 11.976 6.672 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HB3 . . . . . . . . . c34215_6f7o 1 . 17 . 3857 . 1 1 7 ARG HD2 H -1.776 14.066 6.425 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HD2 . . . . . . . . . c34215_6f7o 1 . 17 . 3858 . 1 1 7 ARG HD3 H -0.102 14.387 6.876 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HD3 . . . . . . . . . c34215_6f7o 1 . 17 . 3859 . 1 1 7 ARG HE H -0.159 16.304 5.615 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HE . . . . . . . . . c34215_6f7o 1 . 17 . 3860 . 1 1 7 ARG HG2 H 0.705 13.496 4.818 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HG2 . . . . . . . . . c34215_6f7o 1 . 17 . 3861 . 1 1 7 ARG HG3 H -0.928 13.389 4.158 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HG3 . . . . . . . . . c34215_6f7o 1 . 17 . 3862 . 1 1 7 ARG HH11 H -3.712 15.565 3.926 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HH11 . . . . . . . . . c34215_6f7o 1 . 17 . 3863 . 1 1 7 ARG HH12 H -2.932 14.338 4.868 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HH12 . . . . . . . . . c34215_6f7o 1 . 17 . 3864 . 1 1 7 ARG HH21 H -2.711 17.606 3.647 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HH21 . . . . . . . . . c34215_6f7o 1 . 17 . 3865 . 1 1 7 ARG HH22 H -1.176 17.929 4.377 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HH22 . . . . . . . . . c34215_6f7o 1 . 17 . 3866 . 1 1 7 ARG N N 0.478 9.639 5.674 . . . 1.0 . . . . . . . . . . . . A . 7 ARG N . . . . . . . . . c34215_6f7o 1 . 17 . 3867 . 1 1 7 ARG NE N -0.898 15.682 5.455 . . . 1.0 . . . . . . . . . . . . A . 7 ARG NE . . . . . . . . . c34215_6f7o 1 . 17 . 3868 . 1 1 7 ARG NH1 N -2.940 15.260 4.484 . . . 1.0 . . . . . . . . . . . . A . 7 ARG NH1 . . . . . . . . . c34215_6f7o 1 . 17 . 3869 . 1 1 7 ARG NH2 N -1.939 17.307 4.204 . . . 1.0 . . . . . . . . . . . . A . 7 ARG NH2 . . . . . . . . . c34215_6f7o 1 . 17 . 3870 . 1 1 7 ARG O O 2.858 12.166 5.858 . . . 1.0 . . . . . . . . . . . . A . 7 ARG O . . . . . . . . . c34215_6f7o 1 . 17 . 3871 . 1 1 8 LYS C C 4.171 11.129 8.196 . . . 1.0 . . . . . . . . . . . . A . 8 LYS C . . . . . . . . . c34215_6f7o 1 . 17 . 3872 . 1 1 8 LYS CA C 2.792 11.656 8.582 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CA . . . . . . . . . c34215_6f7o 1 . 17 . 3873 . 1 1 8 LYS CB C 2.417 11.153 9.979 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CB . . . . . . . . . c34215_6f7o 1 . 17 . 3874 . 1 1 8 LYS CD C 4.217 12.528 11.066 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CD . . . . . . . . . c34215_6f7o 1 . 17 . 3875 . 1 1 8 LYS CE C 4.360 12.962 12.517 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CE . . . . . . . . . c34215_6f7o 1 . 17 . 3876 . 1 1 8 LYS CG C 3.577 11.154 10.959 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CG . . . . . . . . . c34215_6f7o 1 . 17 . 3877 . 1 1 8 LYS H H 1.005 10.737 7.916 . . . 1.0 . . . . . . . . . . . . A . 8 LYS H . . . . . . . . . c34215_6f7o 1 . 17 . 3878 . 1 1 8 LYS HA H 2.821 12.734 8.593 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HA . . . . . . . . . c34215_6f7o 1 . 17 . 3879 . 1 1 8 LYS HB2 H 1.636 11.784 10.378 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB2 . . . . . . . . . c34215_6f7o 1 . 17 . 3880 . 1 1 8 LYS HB3 H 2.041 10.142 9.896 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB3 . . . . . . . . . c34215_6f7o 1 . 17 . 3881 . 1 1 8 LYS HD2 H 5.196 12.497 10.612 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD2 . . . . . . . . . c34215_6f7o 1 . 17 . 3882 . 1 1 8 LYS HD3 H 3.597 13.245 10.545 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD3 . . . . . . . . . c34215_6f7o 1 . 17 . 3883 . 1 1 8 LYS HE2 H 3.610 12.457 13.108 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE2 . . . . . . . . . c34215_6f7o 1 . 17 . 3884 . 1 1 8 LYS HE3 H 5.343 12.679 12.866 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE3 . . . . . . . . . c34215_6f7o 1 . 17 . 3885 . 1 1 8 LYS HG2 H 3.215 10.859 11.931 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG2 . . . . . . . . . c34215_6f7o 1 . 17 . 3886 . 1 1 8 LYS HG3 H 4.322 10.447 10.619 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG3 . . . . . . . . . c34215_6f7o 1 . 17 . 3887 . 1 1 8 LYS HZ1 H 4.294 14.904 11.753 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ1 . . . . . . . . . c34215_6f7o 1 . 17 . 3888 . 1 1 8 LYS HZ2 H 4.916 14.807 13.324 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ2 . . . . . . . . . c34215_6f7o 1 . 17 . 3889 . 1 1 8 LYS HZ3 H 3.253 14.648 13.062 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ3 . . . . . . . . . c34215_6f7o 1 . 17 . 3890 . 1 1 8 LYS N N 1.787 11.243 7.611 . . . 1.0 . . . . . . . . . . . . A . 8 LYS N . . . . . . . . . c34215_6f7o 1 . 17 . 3891 . 1 1 8 LYS NZ N 4.193 14.433 12.674 . . . 1.0 . . . . . . . . . . . . A . 8 LYS NZ . . . . . . . . . c34215_6f7o 1 . 17 . 3892 . 1 1 8 LYS O O 5.154 11.872 8.206 . . . 1.0 . . . . . . . . . . . . A . 8 LYS O . . . . . . . . . c34215_6f7o 1 . 17 . 3893 . 1 1 9 LEU C C 5.974 9.760 6.117 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . c34215_6f7o 1 . 17 . 3894 . 1 1 9 LEU CA C 5.497 9.224 7.464 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . c34215_6f7o 1 . 17 . 3895 . 1 1 9 LEU CB C 5.335 7.705 7.392 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . c34215_6f7o 1 . 17 . 3896 . 1 1 9 LEU CD1 C 5.013 5.637 8.773 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . c34215_6f7o 1 . 17 . 3897 . 1 1 9 LEU CD2 C 7.300 6.613 8.501 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . c34215_6f7o 1 . 17 . 3898 . 1 1 9 LEU CG C 5.815 6.921 8.614 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . c34215_6f7o 1 . 17 . 3899 . 1 1 9 LEU H H 3.419 9.308 7.866 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . c34215_6f7o 1 . 17 . 3900 . 1 1 9 LEU HA H 6.232 9.465 8.216 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . c34215_6f7o 1 . 17 . 3901 . 1 1 9 LEU HB2 H 4.287 7.491 7.253 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . c34215_6f7o 1 . 17 . 3902 . 1 1 9 LEU HB3 H 5.889 7.355 6.535 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . c34215_6f7o 1 . 17 . 3903 . 1 1 9 LEU HD11 H 4.273 5.577 7.989 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . c34215_6f7o 1 . 17 . 3904 . 1 1 9 LEU HD12 H 4.520 5.638 9.734 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . c34215_6f7o 1 . 17 . 3905 . 1 1 9 LEU HD13 H 5.677 4.788 8.709 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . c34215_6f7o 1 . 17 . 3906 . 1 1 9 LEU HD21 H 7.647 6.173 9.423 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . c34215_6f7o 1 . 17 . 3907 . 1 1 9 LEU HD22 H 7.844 7.528 8.312 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . c34215_6f7o 1 . 17 . 3908 . 1 1 9 LEU HD23 H 7.464 5.923 7.687 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . c34215_6f7o 1 . 17 . 3909 . 1 1 9 LEU HG H 5.661 7.520 9.500 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . c34215_6f7o 1 . 17 . 3910 . 1 1 9 LEU N N 4.237 9.848 7.856 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . c34215_6f7o 1 . 17 . 3911 . 1 1 9 LEU O O 7.181 9.851 5.900 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . c34215_6f7o 1 . 17 . 3912 . 1 1 10 . C C 6.000 11.978 4.041 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 C . . . . . . . . . c34215_6f7o 1 . 17 . 3913 . 1 1 10 . CA C 5.376 10.592 3.805 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 CA . . . . . . . . . c34215_6f7o 1 . 17 . 3914 . 1 1 10 . CB C 4.073 10.800 2.964 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 CB . . . . . . . . . c34215_6f7o 1 . 17 . 3915 . 1 1 10 . CB1 C 6.350 9.703 2.985 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 CB1 . . . . . . . . . c34215_6f7o 1 . 17 . 3916 . 1 1 10 . CD C 2.104 9.796 1.677 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 CD . . . . . . . . . c34215_6f7o 1 . 17 . 3917 . 1 1 10 . CE C 1.612 8.635 0.835 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 CE . . . . . . . . . c34215_6f7o 1 . 17 . 3918 . 1 1 10 . CG C 3.525 9.546 2.226 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 CG . . . . . . . . . c34215_6f7o 1 . 17 . 3919 . 1 1 10 . HB H 3.293 11.202 3.607 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HB . . . . . . . . . c34215_6f7o 1 . 17 . 3920 . 1 1 10 . HB1 H 7.332 9.689 3.440 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HB1 . . . . . . . . . c34215_6f7o 1 . 17 . 3921 . 1 1 10 . HB1A H 6.002 8.668 2.935 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HB1A . . . . . . . . . c34215_6f7o 1 . 17 . 3922 . 1 1 10 . HB1B H 6.466 10.082 1.967 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HB1B . . . . . . . . . c34215_6f7o 1 . 17 . 3923 . 1 1 10 . HBA H 4.262 11.566 2.207 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HBA . . . . . . . . . c34215_6f7o 1 . 17 . 3924 . 1 1 10 . HD H 1.431 10.004 2.505 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HD . . . . . . . . . c34215_6f7o 1 . 17 . 3925 . 1 1 10 . HDA H 2.119 10.693 1.053 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HDA . . . . . . . . . c34215_6f7o 1 . 17 . 3926 . 1 1 10 . HE H 2.116 8.522 -0.122 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HE . . . . . . . . . c34215_6f7o 1 . 17 . 3927 . 1 1 10 . HG H 4.182 9.299 1.389 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HG . . . . . . . . . c34215_6f7o 1 . 17 . 3928 . 1 1 10 . HGA H 3.510 8.680 2.889 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HGA . . . . . . . . . c34215_6f7o 1 . 17 . 3929 . 1 1 10 . HN H 4.105 9.790 5.327 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HN . . . . . . . . . c34215_6f7o 1 . 17 . 3930 . 1 1 10 . N N 5.074 9.976 5.125 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 N . . . . . . . . . c34215_6f7o 1 . 17 . 3931 . 1 1 10 . O O 6.972 12.397 3.442 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 O . . . . . . . . . c34215_6f7o 1 . 17 . 3932 . 1 1 11 GLN C C 7.220 13.916 6.145 . . . 1.0 . . . . . . . . . . . . A . 11 GLN C . . . . . . . . . c34215_6f7o 1 . 17 . 3933 . 1 1 11 GLN CA C 5.858 14.018 5.467 . . . 1.0 . . . . . . . . . . . . A . 11 GLN CA . . . . . . . . . c34215_6f7o 1 . 17 . 3934 . 1 1 11 GLN CB C 4.839 14.630 6.429 . . . 1.0 . . . . . . . . . . . . A . 11 GLN CB . . . . . . . . . c34215_6f7o 1 . 17 . 3935 . 1 1 11 GLN CD C 5.347 16.858 7.507 . . . 1.0 . . . . . . . . . . . . A . 11 GLN CD . . . . . . . . . c34215_6f7o 1 . 17 . 3936 . 1 1 11 GLN CG C 4.731 16.143 6.320 . . . 1.0 . . . . . . . . . . . . A . 11 GLN CG . . . . . . . . . c34215_6f7o 1 . 17 . 3937 . 1 1 11 GLN H H 4.553 12.357 5.343 . . . 1.0 . . . . . . . . . . . . A . 11 GLN H . . . . . . . . . c34215_6f7o 1 . 17 . 3938 . 1 1 11 GLN HA H 5.946 14.655 4.599 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HA . . . . . . . . . c34215_6f7o 1 . 17 . 3939 . 1 1 11 GLN HB2 H 3.867 14.204 6.225 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HB2 . . . . . . . . . c34215_6f7o 1 . 17 . 3940 . 1 1 11 GLN HB3 H 5.125 14.382 7.440 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HB3 . . . . . . . . . c34215_6f7o 1 . 17 . 3941 . 1 1 11 GLN HE21 H 4.068 15.965 8.740 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HE21 . . . . . . . . . c34215_6f7o 1 . 17 . 3942 . 1 1 11 GLN HE22 H 5.195 17.045 9.479 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HE22 . . . . . . . . . c34215_6f7o 1 . 17 . 3943 . 1 1 11 GLN HG2 H 5.238 16.463 5.424 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HG2 . . . . . . . . . c34215_6f7o 1 . 17 . 3944 . 1 1 11 GLN HG3 H 3.688 16.411 6.259 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HG3 . . . . . . . . . c34215_6f7o 1 . 17 . 3945 . 1 1 11 GLN N N 5.404 12.708 5.014 . . . 1.0 . . . . . . . . . . . . A . 11 GLN N . . . . . . . . . c34215_6f7o 1 . 17 . 3946 . 1 1 11 GLN NE2 N 4.816 16.597 8.697 . . . 1.0 . . . . . . . . . . . . A . 11 GLN NE2 . . . . . . . . . c34215_6f7o 1 . 17 . 3947 . 1 1 11 GLN O O 7.960 14.899 6.225 . . . 1.0 . . . . . . . . . . . . A . 11 GLN O . . . . . . . . . c34215_6f7o 1 . 17 . 3948 . 1 1 11 GLN OE1 O 6.287 17.637 7.357 . . . 1.0 . . . . . . . . . . . . A . 11 GLN OE1 . . . . . . . . . c34215_6f7o 1 . 17 . 3949 . 1 1 12 ALA C C 9.500 11.237 6.774 . . . 1.0 . . . . . . . . . . . . A . 12 ALA C . . . . . . . . . c34215_6f7o 1 . 17 . 3950 . 1 1 12 ALA CA C 8.820 12.496 7.302 . . . 1.0 . . . . . . . . . . . . A . 12 ALA CA . . . . . . . . . c34215_6f7o 1 . 17 . 3951 . 1 1 12 ALA CB C 8.615 12.395 8.807 . . . 1.0 . . . . . . . . . . . . A . 12 ALA CB . . . . . . . . . c34215_6f7o 1 . 17 . 3952 . 1 1 12 ALA H H 6.916 11.981 6.538 . . . 1.0 . . . . . . . . . . . . A . 12 ALA H . . . . . . . . . c34215_6f7o 1 . 17 . 3953 . 1 1 12 ALA HA H 9.458 13.347 7.107 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HA . . . . . . . . . c34215_6f7o 1 . 17 . 3954 . 1 1 12 ALA HB1 H 7.849 11.663 9.015 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB1 . . . . . . . . . c34215_6f7o 1 . 17 . 3955 . 1 1 12 ALA HB2 H 9.538 12.094 9.276 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB2 . . . . . . . . . c34215_6f7o 1 . 17 . 3956 . 1 1 12 ALA HB3 H 8.310 13.356 9.193 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB3 . . . . . . . . . c34215_6f7o 1 . 17 . 3957 . 1 1 12 ALA N N 7.548 12.725 6.633 . . . 1.0 . . . . . . . . . . . . A . 12 ALA N . . . . . . . . . c34215_6f7o 1 . 17 . 3958 . 1 1 12 ALA O O 9.553 10.217 7.457 . . . 1.0 . . . . . . . . . . . . A . 12 ALA O . . . . . . . . . c34215_6f7o 1 . 17 . 3959 . 1 1 13 ALA C C 12.180 10.479 4.732 . . . 1.0 . . . . . . . . . . . . A . 13 ALA C . . . . . . . . . c34215_6f7o 1 . 17 . 3960 . 1 1 13 ALA CA C 10.697 10.187 4.934 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CA . . . . . . . . . c34215_6f7o 1 . 17 . 3961 . 1 1 13 ALA CB C 10.041 9.842 3.606 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CB . . . . . . . . . c34215_6f7o 1 . 17 . 3962 . 1 1 13 ALA H H 9.944 12.162 5.056 . . . 1.0 . . . . . . . . . . . . A . 13 ALA H . . . . . . . . . c34215_6f7o 1 . 17 . 3963 . 1 1 13 ALA HA H 10.592 9.336 5.591 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HA . . . . . . . . . c34215_6f7o 1 . 17 . 3964 . 1 1 13 ALA HB1 H 9.362 9.013 3.744 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB1 . . . . . . . . . c34215_6f7o 1 . 17 . 3965 . 1 1 13 ALA HB2 H 9.492 10.697 3.241 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB2 . . . . . . . . . c34215_6f7o 1 . 17 . 3966 . 1 1 13 ALA HB3 H 10.799 9.568 2.888 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB3 . . . . . . . . . c34215_6f7o 1 . 17 . 3967 . 1 1 13 ALA N N 10.018 11.320 5.553 . . . 1.0 . . . . . . . . . . . . A . 13 ALA N . . . . . . . . . c34215_6f7o 1 . 17 . 3968 . 1 1 13 ALA O O 13.028 9.616 4.961 . . . 1.0 . . . . . . . . . . . . A . 13 ALA O . . . . . . . . . c34215_6f7o 1 . 17 . 3969 . 1 1 14 ARG C C 14.311 13.138 5.097 . . . 1.0 . . . . . . . . . . . . A . 14 ARG C . . . . . . . . . c34215_6f7o 1 . 17 . 3970 . 1 1 14 ARG CA C 13.867 12.102 4.070 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CA . . . . . . . . . c34215_6f7o 1 . 17 . 3971 . 1 1 14 ARG CB C 14.022 12.669 2.657 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CB . . . . . . . . . c34215_6f7o 1 . 17 . 3972 . 1 1 14 ARG CD C 13.445 14.687 1.272 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CD . . . . . . . . . c34215_6f7o 1 . 17 . 3973 . 1 1 14 ARG CG C 12.937 13.661 2.276 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CG . . . . . . . . . c34215_6f7o 1 . 17 . 3974 . 1 1 14 ARG CZ C 13.749 14.799 -1.163 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CZ . . . . . . . . . c34215_6f7o 1 . 17 . 3975 . 1 1 14 ARG H H 11.766 12.343 4.137 . . . 1.0 . . . . . . . . . . . . A . 14 ARG H . . . . . . . . . c34215_6f7o 1 . 17 . 3976 . 1 1 14 ARG HA H 14.490 11.226 4.166 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HA . . . . . . . . . c34215_6f7o 1 . 17 . 3977 . 1 1 14 ARG HB2 H 14.977 13.169 2.587 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB2 . . . . . . . . . c34215_6f7o 1 . 17 . 3978 . 1 1 14 ARG HB3 H 14.000 11.854 1.949 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB3 . . . . . . . . . c34215_6f7o 1 . 17 . 3979 . 1 1 14 ARG HD2 H 12.997 15.644 1.498 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD2 . . . . . . . . . c34215_6f7o 1 . 17 . 3980 . 1 1 14 ARG HD3 H 14.519 14.760 1.367 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD3 . . . . . . . . . c34215_6f7o 1 . 17 . 3981 . 1 1 14 ARG HE H 12.380 13.681 -0.237 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HE . . . . . . . . . c34215_6f7o 1 . 17 . 3982 . 1 1 14 ARG HG2 H 12.109 13.125 1.835 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG2 . . . . . . . . . c34215_6f7o 1 . 17 . 3983 . 1 1 14 ARG HG3 H 12.602 14.174 3.165 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG3 . . . . . . . . . c34215_6f7o 1 . 17 . 3984 . 1 1 14 ARG HH11 H 15.220 16.021 -1.813 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH11 . . . . . . . . . c34215_6f7o 1 . 17 . 3985 . 1 1 14 ARG HH12 H 15.018 15.951 -0.095 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH12 . . . . . . . . . c34215_6f7o 1 . 17 . 3986 . 1 1 14 ARG HH21 H 13.867 14.779 -3.183 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH21 . . . . . . . . . c34215_6f7o 1 . 17 . 3987 . 1 1 14 ARG HH22 H 12.639 13.767 -2.502 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH22 . . . . . . . . . c34215_6f7o 1 . 17 . 3988 . 1 1 14 ARG N N 12.485 11.698 4.302 . . . 1.0 . . . . . . . . . . . . A . 14 ARG N . . . . . . . . . c34215_6f7o 1 . 17 . 3989 . 1 1 14 ARG NE N 13.114 14.318 -0.101 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NE . . . . . . . . . c34215_6f7o 1 . 17 . 3990 . 1 1 14 ARG NH1 N 14.743 15.662 -1.012 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH1 . . . . . . . . . c34215_6f7o 1 . 17 . 3991 . 1 1 14 ARG NH2 N 13.389 14.417 -2.382 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH2 . . . . . . . . . c34215_6f7o 1 . 17 . 3992 . 1 1 14 ARG O O 13.516 14.003 5.464 . . . 1.0 . . . . . . . . . . . . A . 14 ARG O . . . . . . . . . c34215_6f7o 1 . 17 . 3993 . 1 1 15 NH2 HN1 H 16.149 12.301 5.188 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 HN1 . . . . . . . . . c34215_6f7o 1 . 17 . 3994 . 1 1 15 NH2 HN2 H 15.908 13.682 6.207 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 HN2 . . . . . . . . . c34215_6f7o 1 . 17 . 3995 . 1 1 15 NH2 N N 15.558 13.032 5.534 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 N . . . . . . . . . c34215_6f7o 1 . 18 . 3996 . 1 1 1 ACE C C -2.485 1.276 6.060 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . c34215_6f7o 1 . 18 . 3997 . 1 1 1 ACE CH3 C -1.238 0.474 5.907 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . c34215_6f7o 1 . 18 . 3998 . 1 1 1 ACE H1 H -0.793 0.675 4.931 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . c34215_6f7o 1 . 18 . 3999 . 1 1 1 ACE H2 H -0.532 0.748 6.691 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . c34215_6f7o 1 . 18 . 4000 . 1 1 1 ACE H3 H -1.475 -0.586 5.987 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . c34215_6f7o 1 . 18 . 4001 . 1 1 1 ACE O O -3.395 1.229 5.232 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . c34215_6f7o 1 . 18 . 4002 . 1 1 2 ASP C C -3.399 4.335 7.082 . . . 1.0 . . . . . . . . . . . . A . 2 ASP C . . . . . . . . . c34215_6f7o 1 . 18 . 4003 . 1 1 2 ASP CA C -3.688 2.879 7.438 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CA . . . . . . . . . c34215_6f7o 1 . 18 . 4004 . 1 1 2 ASP CB C -4.066 2.770 8.917 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CB . . . . . . . . . c34215_6f7o 1 . 18 . 4005 . 1 1 2 ASP CG C -5.128 1.714 9.163 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CG . . . . . . . . . c34215_6f7o 1 . 18 . 4006 . 1 1 2 ASP H H -1.776 2.031 7.769 . . . 1.0 . . . . . . . . . . . . A . 2 ASP H . . . . . . . . . c34215_6f7o 1 . 18 . 4007 . 1 1 2 ASP HA H -4.513 2.531 6.836 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HA . . . . . . . . . c34215_6f7o 1 . 18 . 4008 . 1 1 2 ASP HB2 H -3.188 2.509 9.489 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HB2 . . . . . . . . . c34215_6f7o 1 . 18 . 4009 . 1 1 2 ASP HB3 H -4.445 3.722 9.256 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HB3 . . . . . . . . . c34215_6f7o 1 . 18 . 4010 . 1 1 2 ASP N N -2.534 2.038 7.148 . . . 1.0 . . . . . . . . . . . . A . 2 ASP N . . . . . . . . . c34215_6f7o 1 . 18 . 4011 . 1 1 2 ASP O O -2.249 4.753 6.954 . . . 1.0 . . . . . . . . . . . . A . 2 ASP O . . . . . . . . . c34215_6f7o 1 . 18 . 4012 . 1 1 2 ASP OD1 O -5.011 0.610 8.592 . . . 1.0 . . . . . . . . . . . . A . 2 ASP OD1 . . . . . . . . . c34215_6f7o 1 . 18 . 4013 . 1 1 2 ASP OD2 O -6.073 1.993 9.929 . . . 1.0 . . . . . . . . . . . . A . 2 ASP OD2 . . . . . . . . . c34215_6f7o 1 . 18 . 4014 . 1 1 3 PRO C C -3.796 7.380 7.721 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . c34215_6f7o 1 . 18 . 4015 . 1 1 3 PRO CA C -4.357 6.547 6.573 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . c34215_6f7o 1 . 18 . 4016 . 1 1 3 PRO CB C -5.802 6.955 6.276 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . c34215_6f7o 1 . 18 . 4017 . 1 1 3 PRO CD C -5.872 4.697 7.057 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . c34215_6f7o 1 . 18 . 4018 . 1 1 3 PRO CG C -6.636 5.992 7.049 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . c34215_6f7o 1 . 18 . 4019 . 1 1 3 PRO HA H -3.752 6.696 5.694 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . c34215_6f7o 1 . 18 . 4020 . 1 1 3 PRO HB2 H -5.967 7.971 6.603 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . c34215_6f7o 1 . 18 . 4021 . 1 1 3 PRO HB3 H -5.991 6.877 5.214 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . c34215_6f7o 1 . 18 . 4022 . 1 1 3 PRO HD2 H -6.024 4.172 7.989 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . c34215_6f7o 1 . 18 . 4023 . 1 1 3 PRO HD3 H -6.169 4.078 6.222 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . c34215_6f7o 1 . 18 . 4024 . 1 1 3 PRO HG2 H -6.773 6.351 8.056 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . c34215_6f7o 1 . 18 . 4025 . 1 1 3 PRO HG3 H -7.592 5.860 6.561 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . c34215_6f7o 1 . 18 . 4026 . 1 1 3 PRO N N -4.470 5.127 6.918 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . c34215_6f7o 1 . 18 . 4027 . 1 1 3 PRO O O -3.435 6.844 8.768 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . c34215_6f7o 1 . 18 . 4028 . 1 1 4 GLN C C -1.708 9.399 8.727 . . . 1.0 . . . . . . . . . . . . A . 4 GLN C . . . . . . . . . c34215_6f7o 1 . 18 . 4029 . 1 1 4 GLN CA C -3.209 9.596 8.536 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CA . . . . . . . . . c34215_6f7o 1 . 18 . 4030 . 1 1 4 GLN CB C -3.939 9.376 9.863 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CB . . . . . . . . . c34215_6f7o 1 . 18 . 4031 . 1 1 4 GLN CD C -6.148 10.587 9.698 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CD . . . . . . . . . c34215_6f7o 1 . 18 . 4032 . 1 1 4 GLN CG C -4.762 10.571 10.310 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CG . . . . . . . . . c34215_6f7o 1 . 18 . 4033 . 1 1 4 GLN H H -4.030 9.056 6.661 . . . 1.0 . . . . . . . . . . . . A . 4 GLN H . . . . . . . . . c34215_6f7o 1 . 18 . 4034 . 1 1 4 GLN HA H -3.387 10.607 8.202 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HA . . . . . . . . . c34215_6f7o 1 . 18 . 4035 . 1 1 4 GLN HB2 H -4.599 8.528 9.760 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HB2 . . . . . . . . . c34215_6f7o 1 . 18 . 4036 . 1 1 4 GLN HB3 H -3.208 9.163 10.629 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HB3 . . . . . . . . . c34215_6f7o 1 . 18 . 4037 . 1 1 4 GLN HE21 H -6.530 8.789 10.457 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HE21 . . . . . . . . . c34215_6f7o 1 . 18 . 4038 . 1 1 4 GLN HE22 H -7.805 9.500 9.536 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HE22 . . . . . . . . . c34215_6f7o 1 . 18 . 4039 . 1 1 4 GLN HG2 H -4.861 10.543 11.385 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HG2 . . . . . . . . . c34215_6f7o 1 . 18 . 4040 . 1 1 4 GLN HG3 H -4.247 11.476 10.021 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HG3 . . . . . . . . . c34215_6f7o 1 . 18 . 4041 . 1 1 4 GLN N N -3.726 8.691 7.517 . . . 1.0 . . . . . . . . . . . . A . 4 GLN N . . . . . . . . . c34215_6f7o 1 . 18 . 4042 . 1 1 4 GLN NE2 N -6.905 9.517 9.918 . . . 1.0 . . . . . . . . . . . . A . 4 GLN NE2 . . . . . . . . . c34215_6f7o 1 . 18 . 4043 . 1 1 4 GLN O O -0.902 10.210 8.273 . . . 1.0 . . . . . . . . . . . . A . 4 GLN O . . . . . . . . . c34215_6f7o 1 . 18 . 4044 . 1 1 4 GLN OE1 O -6.537 11.547 9.035 . . . 1.0 . . . . . . . . . . . . A . 4 GLN OE1 . . . . . . . . . c34215_6f7o 1 . 18 . 4045 . 1 1 5 HIS C C 0.825 7.838 8.346 . . . 1.0 . . . . . . . . . . . . A . 5 HIS C . . . . . . . . . c34215_6f7o 1 . 18 . 4046 . 1 1 5 HIS CA C 0.063 8.011 9.657 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CA . . . . . . . . . c34215_6f7o 1 . 18 . 4047 . 1 1 5 HIS CB C 0.188 6.745 10.504 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CB . . . . . . . . . c34215_6f7o 1 . 18 . 4048 . 1 1 5 HIS CD2 C 1.728 7.569 12.421 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CD2 . . . . . . . . . c34215_6f7o 1 . 18 . 4049 . 1 1 5 HIS CE1 C 3.308 6.061 12.236 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CE1 . . . . . . . . . c34215_6f7o 1 . 18 . 4050 . 1 1 5 HIS CG C 1.384 6.743 11.407 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CG . . . . . . . . . c34215_6f7o 1 . 18 . 4051 . 1 1 5 HIS H H -2.029 7.707 9.744 . . . 1.0 . . . . . . . . . . . . A . 5 HIS H . . . . . . . . . c34215_6f7o 1 . 18 . 4052 . 1 1 5 HIS HA H 0.490 8.840 10.202 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HA . . . . . . . . . c34215_6f7o 1 . 18 . 4053 . 1 1 5 HIS HB2 H -0.694 6.643 11.121 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB2 . . . . . . . . . c34215_6f7o 1 . 18 . 4054 . 1 1 5 HIS HB3 H 0.264 5.887 9.851 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB3 . . . . . . . . . c34215_6f7o 1 . 18 . 4055 . 1 1 5 HIS HD1 H 2.435 5.073 10.671 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD1 . . . . . . . . . c34215_6f7o 1 . 18 . 4056 . 1 1 5 HIS HD2 H 1.163 8.421 12.776 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD2 . . . . . . . . . c34215_6f7o 1 . 18 . 4057 . 1 1 5 HIS HE1 H 4.211 5.495 12.401 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HE1 . . . . . . . . . c34215_6f7o 1 . 18 . 4058 . 1 1 5 HIS N N -1.341 8.316 9.405 . . . 1.0 . . . . . . . . . . . . A . 5 HIS N . . . . . . . . . c34215_6f7o 1 . 18 . 4059 . 1 1 5 HIS ND1 N 2.395 5.809 11.314 . . . 1.0 . . . . . . . . . . . . A . 5 HIS ND1 . . . . . . . . . c34215_6f7o 1 . 18 . 4060 . 1 1 5 HIS NE2 N 2.926 7.125 12.921 . . . 1.0 . . . . . . . . . . . . A . 5 HIS NE2 . . . . . . . . . c34215_6f7o 1 . 18 . 4061 . 1 1 5 HIS O O 2.040 8.028 8.330 . . . 1.0 . . . . . . . . . . . . A . 5 HIS O . . . . . . . . . c34215_6f7o 1 . 18 . 4062 . 1 1 6 . C C 1.315 8.568 5.534 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 C . . . . . . . . . c34215_6f7o 1 . 18 . 4063 . 1 1 6 . CA C 0.762 7.194 5.928 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 CA . . . . . . . . . c34215_6f7o 1 . 18 . 4064 . 1 1 6 . CB C -0.325 6.776 4.889 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 CB . . . . . . . . . c34215_6f7o 1 . 18 . 4065 . 1 1 6 . CB1 C 1.859 6.079 5.970 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 CB1 . . . . . . . . . c34215_6f7o 1 . 18 . 4066 . 1 1 6 . CD C -0.255 7.851 2.529 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 CD . . . . . . . . . c34215_6f7o 1 . 18 . 4067 . 1 1 6 . CE C 0.539 7.831 1.239 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 CE . . . . . . . . . c34215_6f7o 1 . 18 . 4068 . 1 1 6 . CG C 0.183 6.672 3.421 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 CG . . . . . . . . . c34215_6f7o 1 . 18 . 4069 . 1 1 6 . HB H -0.715 5.797 5.172 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HB . . . . . . . . . c34215_6f7o 1 . 18 . 4070 . 1 1 6 . HB1 H 2.485 6.071 5.078 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HB1 . . . . . . . . . c34215_6f7o 1 . 18 . 4071 . 1 1 6 . HB1A H 2.533 6.185 6.816 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HB1A . . . . . . . . . c34215_6f7o 1 . 18 . 4072 . 1 1 6 . HB1B H 1.400 5.095 6.068 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HB1B . . . . . . . . . c34215_6f7o 1 . 18 . 4073 . 1 1 6 . HBA H -1.176 7.461 4.940 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HBA . . . . . . . . . c34215_6f7o 1 . 18 . 4074 . 1 1 6 . HD H -1.319 7.752 2.302 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HD . . . . . . . . . c34215_6f7o 1 . 18 . 4075 . 1 1 6 . HDA H -0.137 8.795 3.061 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HDA . . . . . . . . . c34215_6f7o 1 . 18 . 4076 . 1 1 6 . HE H 0.265 7.039 0.548 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HE . . . . . . . . . c34215_6f7o 1 . 18 . 4077 . 1 1 6 . HG H 1.270 6.594 3.382 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HG . . . . . . . . . c34215_6f7o 1 . 18 . 4078 . 1 1 6 . HGA H -0.204 5.750 2.978 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HGA . . . . . . . . . c34215_6f7o 1 . 18 . 4079 . 1 1 6 . HN H -0.772 6.976 7.406 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HN . . . . . . . . . c34215_6f7o 1 . 18 . 4080 . 1 1 6 . N N 0.170 7.316 7.277 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 N . . . . . . . . . c34215_6f7o 1 . 18 . 4081 . 1 1 6 . O O 2.473 8.757 5.235 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 O . . . . . . . . . c34215_6f7o 1 . 18 . 4082 . 1 1 7 ARG C C 1.874 11.500 6.335 . . . 1.0 . . . . . . . . . . . . A . 7 ARG C . . . . . . . . . c34215_6f7o 1 . 18 . 4083 . 1 1 7 ARG CA C 0.754 11.005 5.425 . . . 1.0 . . . . . . . . . . . . A . 7 ARG CA . . . . . . . . . c34215_6f7o 1 . 18 . 4084 . 1 1 7 ARG CB C -0.495 11.865 5.621 . . . 1.0 . . . . . . . . . . . . A . 7 ARG CB . . . . . . . . . c34215_6f7o 1 . 18 . 4085 . 1 1 7 ARG CD C -1.710 14.001 5.094 . . . 1.0 . . . . . . . . . . . . A . 7 ARG CD . . . . . . . . . c34215_6f7o 1 . 18 . 4086 . 1 1 7 ARG CG C -0.407 13.230 4.957 . . . 1.0 . . . . . . . . . . . . A . 7 ARG CG . . . . . . . . . c34215_6f7o 1 . 18 . 4087 . 1 1 7 ARG CZ C -1.470 15.073 7.294 . . . 1.0 . . . . . . . . . . . . A . 7 ARG CZ . . . . . . . . . c34215_6f7o 1 . 18 . 4088 . 1 1 7 ARG H H -0.460 9.354 5.956 . . . 1.0 . . . . . . . . . . . . A . 7 ARG H . . . . . . . . . c34215_6f7o 1 . 18 . 4089 . 1 1 7 ARG HA H 1.078 11.086 4.399 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HA . . . . . . . . . c34215_6f7o 1 . 18 . 4090 . 1 1 7 ARG HB2 H -1.348 11.344 5.211 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HB2 . . . . . . . . . c34215_6f7o 1 . 18 . 4091 . 1 1 7 ARG HB3 H -0.654 12.015 6.680 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HB3 . . . . . . . . . c34215_6f7o 1 . 18 . 4092 . 1 1 7 ARG HD2 H -1.595 14.964 4.615 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HD2 . . . . . . . . . c34215_6f7o 1 . 18 . 4093 . 1 1 7 ARG HD3 H -2.494 13.448 4.600 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HD3 . . . . . . . . . c34215_6f7o 1 . 18 . 4094 . 1 1 7 ARG HE H -2.820 13.676 6.847 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HE . . . . . . . . . c34215_6f7o 1 . 18 . 4095 . 1 1 7 ARG HG2 H 0.386 13.795 5.424 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HG2 . . . . . . . . . c34215_6f7o 1 . 18 . 4096 . 1 1 7 ARG HG3 H -0.185 13.094 3.910 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HG3 . . . . . . . . . c34215_6f7o 1 . 18 . 4097 . 1 1 7 ARG HH11 H -0.008 16.458 7.443 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HH11 . . . . . . . . . c34215_6f7o 1 . 18 . 4098 . 1 1 7 ARG HH12 H -0.166 15.711 5.889 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HH12 . . . . . . . . . c34215_6f7o 1 . 18 . 4099 . 1 1 7 ARG HH21 H -1.406 15.856 9.155 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HH21 . . . . . . . . . c34215_6f7o 1 . 18 . 4100 . 1 1 7 ARG HH22 H -2.622 14.650 8.899 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HH22 . . . . . . . . . c34215_6f7o 1 . 18 . 4101 . 1 1 7 ARG N N 0.449 9.603 5.690 . . . 1.0 . . . . . . . . . . . . A . 7 ARG N . . . . . . . . . c34215_6f7o 1 . 18 . 4102 . 1 1 7 ARG NE N -2.081 14.207 6.491 . . . 1.0 . . . . . . . . . . . . A . 7 ARG NE . . . . . . . . . c34215_6f7o 1 . 18 . 4103 . 1 1 7 ARG NH1 N -0.466 15.808 6.838 . . . 1.0 . . . . . . . . . . . . A . 7 ARG NH1 . . . . . . . . . c34215_6f7o 1 . 18 . 4104 . 1 1 7 ARG NH2 N -1.865 15.204 8.553 . . . 1.0 . . . . . . . . . . . . A . 7 ARG NH2 . . . . . . . . . c34215_6f7o 1 . 18 . 4105 . 1 1 7 ARG O O 2.823 12.137 5.878 . . . 1.0 . . . . . . . . . . . . A . 7 ARG O . . . . . . . . . c34215_6f7o 1 . 18 . 4106 . 1 1 8 LYS C C 4.142 11.112 8.205 . . . 1.0 . . . . . . . . . . . . A . 8 LYS C . . . . . . . . . c34215_6f7o 1 . 18 . 4107 . 1 1 8 LYS CA C 2.758 11.617 8.600 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CA . . . . . . . . . c34215_6f7o 1 . 18 . 4108 . 1 1 8 LYS CB C 2.389 11.097 9.991 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CB . . . . . . . . . c34215_6f7o 1 . 18 . 4109 . 1 1 8 LYS CD C 4.214 12.437 11.078 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CD . . . . . . . . . c34215_6f7o 1 . 18 . 4110 . 1 1 8 LYS CE C 4.497 12.796 12.529 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CE . . . . . . . . . c34215_6f7o 1 . 18 . 4111 . 1 1 8 LYS CG C 3.560 11.071 10.959 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CG . . . . . . . . . c34215_6f7o 1 . 18 . 4112 . 1 1 8 LYS H H 0.978 10.692 7.929 . . . 1.0 . . . . . . . . . . . . A . 8 LYS H . . . . . . . . . c34215_6f7o 1 . 18 . 4113 . 1 1 8 LYS HA H 2.774 12.696 8.622 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HA . . . . . . . . . c34215_6f7o 1 . 18 . 4114 . 1 1 8 LYS HB2 H 1.619 11.728 10.407 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB2 . . . . . . . . . c34215_6f7o 1 . 18 . 4115 . 1 1 8 LYS HB3 H 2.007 10.090 9.896 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB3 . . . . . . . . . c34215_6f7o 1 . 18 . 4116 . 1 1 8 LYS HD2 H 5.147 12.429 10.534 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD2 . . . . . . . . . c34215_6f7o 1 . 18 . 4117 . 1 1 8 LYS HD3 H 3.555 13.181 10.655 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD3 . . . . . . . . . c34215_6f7o 1 . 18 . 4118 . 1 1 8 LYS HE2 H 4.602 13.868 12.609 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE2 . . . . . . . . . c34215_6f7o 1 . 18 . 4119 . 1 1 8 LYS HE3 H 3.667 12.467 13.136 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE3 . . . . . . . . . c34215_6f7o 1 . 18 . 4120 . 1 1 8 LYS HG2 H 3.204 10.770 11.934 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG2 . . . . . . . . . c34215_6f7o 1 . 18 . 4121 . 1 1 8 LYS HG3 H 4.293 10.360 10.608 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG3 . . . . . . . . . c34215_6f7o 1 . 18 . 4122 . 1 1 8 LYS HZ1 H 5.513 11.302 13.579 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ1 . . . . . . . . . c34215_6f7o 1 . 18 . 4123 . 1 1 8 LYS HZ2 H 6.269 12.813 13.635 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ2 . . . . . . . . . c34215_6f7o 1 . 18 . 4124 . 1 1 8 LYS HZ3 H 6.351 11.878 12.226 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ3 . . . . . . . . . c34215_6f7o 1 . 18 . 4125 . 1 1 8 LYS N N 1.758 11.202 7.625 . . . 1.0 . . . . . . . . . . . . A . 8 LYS N . . . . . . . . . c34215_6f7o 1 . 18 . 4126 . 1 1 8 LYS NZ N 5.746 12.152 13.027 . . . 1.0 . . . . . . . . . . . . A . 8 LYS NZ . . . . . . . . . c34215_6f7o 1 . 18 . 4127 . 1 1 8 LYS O O 5.118 11.862 8.226 . . . 1.0 . . . . . . . . . . . . A . 8 LYS O . . . . . . . . . c34215_6f7o 1 . 18 . 4128 . 1 1 9 LEU C C 5.946 9.773 6.098 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . c34215_6f7o 1 . 18 . 4129 . 1 1 9 LEU CA C 5.485 9.229 7.446 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . c34215_6f7o 1 . 18 . 4130 . 1 1 9 LEU CB C 5.344 7.707 7.375 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . c34215_6f7o 1 . 18 . 4131 . 1 1 9 LEU CD1 C 5.184 5.594 8.714 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . c34215_6f7o 1 . 18 . 4132 . 1 1 9 LEU CD2 C 7.404 6.700 8.389 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . c34215_6f7o 1 . 18 . 4133 . 1 1 9 LEU CG C 5.909 6.923 8.560 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . c34215_6f7o 1 . 18 . 4134 . 1 1 9 LEU H H 3.410 9.285 7.851 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . c34215_6f7o 1 . 18 . 4135 . 1 1 9 LEU HA H 6.224 9.479 8.193 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . c34215_6f7o 1 . 18 . 4136 . 1 1 9 LEU HB2 H 4.293 7.475 7.294 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . c34215_6f7o 1 . 18 . 4137 . 1 1 9 LEU HB3 H 5.854 7.371 6.481 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . c34215_6f7o 1 . 18 . 4138 . 1 1 9 LEU HD11 H 4.959 5.191 7.739 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . c34215_6f7o 1 . 18 . 4139 . 1 1 9 LEU HD12 H 4.265 5.748 9.261 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . c34215_6f7o 1 . 18 . 4140 . 1 1 9 LEU HD13 H 5.813 4.903 9.255 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . c34215_6f7o 1 . 18 . 4141 . 1 1 9 LEU HD21 H 7.904 6.877 9.329 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . c34215_6f7o 1 . 18 . 4142 . 1 1 9 LEU HD22 H 7.787 7.385 7.644 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . c34215_6f7o 1 . 18 . 4143 . 1 1 9 LEU HD23 H 7.583 5.684 8.071 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . c34215_6f7o 1 . 18 . 4144 . 1 1 9 LEU HG H 5.755 7.493 9.464 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . c34215_6f7o 1 . 18 . 4145 . 1 1 9 LEU N N 4.219 9.835 7.846 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . c34215_6f7o 1 . 18 . 4146 . 1 1 9 LEU O O 7.153 9.865 5.866 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . c34215_6f7o 1 . 18 . 4147 . 1 1 10 . C C 5.952 12.014 4.039 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 C . . . . . . . . . c34215_6f7o 1 . 18 . 4148 . 1 1 10 . CA C 5.363 10.616 3.796 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 CA . . . . . . . . . c34215_6f7o 1 . 18 . 4149 . 1 1 10 . CB C 4.063 10.811 2.948 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 CB . . . . . . . . . c34215_6f7o 1 . 18 . 4150 . 1 1 10 . CB1 C 6.371 9.754 2.979 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 CB1 . . . . . . . . . c34215_6f7o 1 . 18 . 4151 . 1 1 10 . CD C 2.088 9.824 1.676 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 CD . . . . . . . . . c34215_6f7o 1 . 18 . 4152 . 1 1 10 . CE C 1.544 8.646 0.890 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 CE . . . . . . . . . c34215_6f7o 1 . 18 . 4153 . 1 1 10 . CG C 3.489 9.542 2.260 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 CG . . . . . . . . . c34215_6f7o 1 . 18 . 4154 . 1 1 10 . HB H 3.292 11.252 3.577 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HB . . . . . . . . . c34215_6f7o 1 . 18 . 4155 . 1 1 10 . HB1 H 7.368 9.771 3.418 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HB1 . . . . . . . . . c34215_6f7o 1 . 18 . 4156 . 1 1 10 . HB1A H 6.050 8.711 2.934 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HB1A . . . . . . . . . c34215_6f7o 1 . 18 . 4157 . 1 1 10 . HB1B H 6.465 10.129 1.957 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HB1B . . . . . . . . . c34215_6f7o 1 . 18 . 4158 . 1 1 10 . HBA H 4.265 11.544 2.161 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HBA . . . . . . . . . c34215_6f7o 1 . 18 . 4159 . 1 1 10 . HD H 1.412 10.115 2.475 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HD . . . . . . . . . c34215_6f7o 1 . 18 . 4160 . 1 1 10 . HDA H 2.152 10.682 1.002 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HDA . . . . . . . . . c34215_6f7o 1 . 18 . 4161 . 1 1 10 . HE H 2.030 8.478 -0.066 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HE . . . . . . . . . c34215_6f7o 1 . 18 . 4162 . 1 1 10 . HG H 4.149 9.231 1.448 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HG . . . . . . . . . c34215_6f7o 1 . 18 . 4163 . 1 1 10 . HGA H 3.433 8.708 2.961 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HGA . . . . . . . . . c34215_6f7o 1 . 18 . 4164 . 1 1 10 . HN H 4.076 9.811 5.309 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HN . . . . . . . . . c34215_6f7o 1 . 18 . 4165 . 1 1 10 . N N 5.047 9.989 5.109 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 N . . . . . . . . . c34215_6f7o 1 . 18 . 4166 . 1 1 10 . O O 6.904 12.463 3.430 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 O . . . . . . . . . c34215_6f7o 1 . 18 . 4167 . 1 1 11 GLN C C 7.167 13.938 6.158 . . . 1.0 . . . . . . . . . . . . A . 11 GLN C . . . . . . . . . c34215_6f7o 1 . 18 . 4168 . 1 1 11 GLN CA C 5.810 14.040 5.472 . . . 1.0 . . . . . . . . . . . . A . 11 GLN CA . . . . . . . . . c34215_6f7o 1 . 18 . 4169 . 1 1 11 GLN CB C 4.786 14.654 6.432 . . . 1.0 . . . . . . . . . . . . A . 11 GLN CB . . . . . . . . . c34215_6f7o 1 . 18 . 4170 . 1 1 11 GLN CD C 5.417 16.877 7.452 . . . 1.0 . . . . . . . . . . . . A . 11 GLN CD . . . . . . . . . c34215_6f7o 1 . 18 . 4171 . 1 1 11 GLN CG C 4.688 16.167 6.328 . . . 1.0 . . . . . . . . . . . . A . 11 GLN CG . . . . . . . . . c34215_6f7o 1 . 18 . 4172 . 1 1 11 GLN H H 4.508 12.375 5.357 . . . 1.0 . . . . . . . . . . . . A . 11 GLN H . . . . . . . . . c34215_6f7o 1 . 18 . 4173 . 1 1 11 GLN HA H 5.905 14.677 4.607 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HA . . . . . . . . . c34215_6f7o 1 . 18 . 4174 . 1 1 11 GLN HB2 H 3.813 14.234 6.219 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HB2 . . . . . . . . . c34215_6f7o 1 . 18 . 4175 . 1 1 11 GLN HB3 H 5.064 14.401 7.445 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HB3 . . . . . . . . . c34215_6f7o 1 . 18 . 4176 . 1 1 11 GLN HE21 H 4.547 18.597 6.962 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HE21 . . . . . . . . . c34215_6f7o 1 . 18 . 4177 . 1 1 11 GLN HE22 H 5.634 18.658 8.306 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HE22 . . . . . . . . . c34215_6f7o 1 . 18 . 4178 . 1 1 11 GLN HG2 H 5.115 16.479 5.388 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HG2 . . . . . . . . . c34215_6f7o 1 . 18 . 4179 . 1 1 11 GLN HG3 H 3.645 16.449 6.362 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HG3 . . . . . . . . . c34215_6f7o 1 . 18 . 4180 . 1 1 11 GLN N N 5.355 12.732 5.019 . . . 1.0 . . . . . . . . . . . . A . 11 GLN N . . . . . . . . . c34215_6f7o 1 . 18 . 4181 . 1 1 11 GLN NE2 N 5.176 18.175 7.587 . . . 1.0 . . . . . . . . . . . . A . 11 GLN NE2 . . . . . . . . . c34215_6f7o 1 . 18 . 4182 . 1 1 11 GLN O O 7.907 14.917 6.243 . . . 1.0 . . . . . . . . . . . . A . 11 GLN O . . . . . . . . . c34215_6f7o 1 . 18 . 4183 . 1 1 11 GLN OE1 O 6.190 16.265 8.190 . . . 1.0 . . . . . . . . . . . . A . 11 GLN OE1 . . . . . . . . . c34215_6f7o 1 . 18 . 4184 . 1 1 12 ALA C C 9.624 11.526 6.545 . . . 1.0 . . . . . . . . . . . . A . 12 ALA C . . . . . . . . . c34215_6f7o 1 . 18 . 4185 . 1 1 12 ALA CA C 8.760 12.514 7.321 . . . 1.0 . . . . . . . . . . . . A . 12 ALA CA . . . . . . . . . c34215_6f7o 1 . 18 . 4186 . 1 1 12 ALA CB C 8.520 12.008 8.737 . . . 1.0 . . . . . . . . . . . . A . 12 ALA CB . . . . . . . . . c34215_6f7o 1 . 18 . 4187 . 1 1 12 ALA H H 6.859 12.002 6.549 . . . 1.0 . . . . . . . . . . . . A . 12 ALA H . . . . . . . . . c34215_6f7o 1 . 18 . 4188 . 1 1 12 ALA HA H 9.281 13.458 7.386 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HA . . . . . . . . . c34215_6f7o 1 . 18 . 4189 . 1 1 12 ALA HB1 H 9.325 12.342 9.378 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB1 . . . . . . . . . c34215_6f7o 1 . 18 . 4190 . 1 1 12 ALA HB2 H 7.583 12.395 9.104 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB2 . . . . . . . . . c34215_6f7o 1 . 18 . 4191 . 1 1 12 ALA HB3 H 8.490 10.930 8.734 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB3 . . . . . . . . . c34215_6f7o 1 . 18 . 4192 . 1 1 12 ALA N N 7.490 12.743 6.647 . . . 1.0 . . . . . . . . . . . . A . 12 ALA N . . . . . . . . . c34215_6f7o 1 . 18 . 4193 . 1 1 12 ALA O O 10.295 10.678 7.132 . . . 1.0 . . . . . . . . . . . . A . 12 ALA O . . . . . . . . . c34215_6f7o 1 . 18 . 4194 . 1 1 13 ALA C C 11.864 10.819 4.717 . . . 1.0 . . . . . . . . . . . . A . 13 ALA C . . . . . . . . . c34215_6f7o 1 . 18 . 4195 . 1 1 13 ALA CA C 10.382 10.757 4.362 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CA . . . . . . . . . c34215_6f7o 1 . 18 . 4196 . 1 1 13 ALA CB C 10.173 11.121 2.901 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CB . . . . . . . . . c34215_6f7o 1 . 18 . 4197 . 1 1 13 ALA H H 9.045 12.335 4.811 . . . 1.0 . . . . . . . . . . . . A . 13 ALA H . . . . . . . . . c34215_6f7o 1 . 18 . 4198 . 1 1 13 ALA HA H 10.028 9.748 4.514 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HA . . . . . . . . . c34215_6f7o 1 . 18 . 4199 . 1 1 13 ALA HB1 H 10.855 11.913 2.627 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB1 . . . . . . . . . c34215_6f7o 1 . 18 . 4200 . 1 1 13 ALA HB2 H 10.359 10.254 2.285 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB2 . . . . . . . . . c34215_6f7o 1 . 18 . 4201 . 1 1 13 ALA HB3 H 9.157 11.454 2.756 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB3 . . . . . . . . . c34215_6f7o 1 . 18 . 4202 . 1 1 13 ALA N N 9.601 11.640 5.222 . . . 1.0 . . . . . . . . . . . . A . 13 ALA N . . . . . . . . . c34215_6f7o 1 . 18 . 4203 . 1 1 13 ALA O O 12.388 11.882 5.052 . . . 1.0 . . . . . . . . . . . . A . 13 ALA O . . . . . . . . . c34215_6f7o 1 . 18 . 4204 . 1 1 14 ARG C C 14.229 10.121 6.369 . . . 1.0 . . . . . . . . . . . . A . 14 ARG C . . . . . . . . . c34215_6f7o 1 . 18 . 4205 . 1 1 14 ARG CA C 13.955 9.597 4.961 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CA . . . . . . . . . c34215_6f7o 1 . 18 . 4206 . 1 1 14 ARG CB C 14.769 10.398 3.942 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CB . . . . . . . . . c34215_6f7o 1 . 18 . 4207 . 1 1 14 ARG CD C 15.561 10.542 1.562 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CD . . . . . . . . . c34215_6f7o 1 . 18 . 4208 . 1 1 14 ARG CG C 15.095 9.621 2.678 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CG . . . . . . . . . c34215_6f7o 1 . 18 . 4209 . 1 1 14 ARG CZ C 17.672 11.379 0.622 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CZ . . . . . . . . . c34215_6f7o 1 . 18 . 4210 . 1 1 14 ARG H H 12.060 8.859 4.374 . . . 1.0 . . . . . . . . . . . . A . 14 ARG H . . . . . . . . . c34215_6f7o 1 . 18 . 4211 . 1 1 14 ARG HA H 14.250 8.561 4.910 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HA . . . . . . . . . c34215_6f7o 1 . 18 . 4212 . 1 1 14 ARG HB2 H 14.210 11.278 3.663 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB2 . . . . . . . . . c34215_6f7o 1 . 18 . 4213 . 1 1 14 ARG HB3 H 15.697 10.703 4.401 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB3 . . . . . . . . . c34215_6f7o 1 . 18 . 4214 . 1 1 14 ARG HD2 H 15.248 10.127 0.614 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD2 . . . . . . . . . c34215_6f7o 1 . 18 . 4215 . 1 1 14 ARG HD3 H 15.103 11.510 1.698 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD3 . . . . . . . . . c34215_6f7o 1 . 18 . 4216 . 1 1 14 ARG HE H 17.520 10.278 2.278 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HE . . . . . . . . . c34215_6f7o 1 . 18 . 4217 . 1 1 14 ARG HG2 H 15.878 8.911 2.894 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG2 . . . . . . . . . c34215_6f7o 1 . 18 . 4218 . 1 1 14 ARG HG3 H 14.210 9.094 2.352 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG3 . . . . . . . . . c34215_6f7o 1 . 18 . 4219 . 1 1 14 ARG HH11 H 17.514 12.473 -1.069 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH11 . . . . . . . . . c34215_6f7o 1 . 18 . 4220 . 1 1 14 ARG HH12 H 16.018 11.890 -0.418 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH12 . . . . . . . . . c34215_6f7o 1 . 18 . 4221 . 1 1 14 ARG HH21 H 19.491 11.989 -0.018 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH21 . . . . . . . . . c34215_6f7o 1 . 18 . 4222 . 1 1 14 ARG HH22 H 19.495 11.042 1.430 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH22 . . . . . . . . . c34215_6f7o 1 . 18 . 4223 . 1 1 14 ARG N N 12.534 9.674 4.646 . . . 1.0 . . . . . . . . . . . . A . 14 ARG N . . . . . . . . . c34215_6f7o 1 . 18 . 4224 . 1 1 14 ARG NE N 17.014 10.700 1.554 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NE . . . . . . . . . c34215_6f7o 1 . 18 . 4225 . 1 1 14 ARG NH1 N 17.014 11.962 -0.370 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH1 . . . . . . . . . c34215_6f7o 1 . 18 . 4226 . 1 1 14 ARG NH2 N 18.996 11.478 0.683 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH2 . . . . . . . . . c34215_6f7o 1 . 18 . 4227 . 1 1 14 ARG O O 14.567 11.292 6.522 . . . 1.0 . . . . . . . . . . . . A . 14 ARG O . . . . . . . . . c34215_6f7o 1 . 18 . 4228 . 1 1 15 NH2 HN1 H 13.799 8.308 7.154 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 HN1 . . . . . . . . . c34215_6f7o 1 . 18 . 4229 . 1 1 15 NH2 HN2 H 14.242 9.529 8.300 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 HN2 . . . . . . . . . c34215_6f7o 1 . 18 . 4230 . 1 1 15 NH2 N N 14.077 9.246 7.354 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 N . . . . . . . . . c34215_6f7o 1 . 19 . 4231 . 1 1 1 ACE C C -2.576 3.819 9.980 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . c34215_6f7o 1 . 19 . 4232 . 1 1 1 ACE CH3 C -1.464 2.831 10.056 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . c34215_6f7o 1 . 19 . 4233 . 1 1 1 ACE H1 H -1.850 1.876 10.409 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . c34215_6f7o 1 . 19 . 4234 . 1 1 1 ACE H2 H -1.026 2.702 9.066 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . c34215_6f7o 1 . 19 . 4235 . 1 1 1 ACE H3 H -0.702 3.194 10.745 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . c34215_6f7o 1 . 19 . 4236 . 1 1 1 ACE O O -2.461 4.964 10.416 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . c34215_6f7o 1 . 19 . 4237 . 1 1 2 ASP C C -4.570 5.411 8.362 . . . 1.0 . . . . . . . . . . . . A . 2 ASP C . . . . . . . . . c34215_6f7o 1 . 19 . 4238 . 1 1 2 ASP CA C -4.869 4.218 9.265 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CA . . . . . . . . . c34215_6f7o 1 . 19 . 4239 . 1 1 2 ASP CB C -5.345 4.705 10.635 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CB . . . . . . . . . c34215_6f7o 1 . 19 . 4240 . 1 1 2 ASP CG C -5.162 6.198 10.814 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CG . . . . . . . . . c34215_6f7o 1 . 19 . 4241 . 1 1 2 ASP H H -3.720 2.448 9.085 . . . 1.0 . . . . . . . . . . . . A . 2 ASP H . . . . . . . . . c34215_6f7o 1 . 19 . 4242 . 1 1 2 ASP HA H -5.648 3.624 8.814 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HA . . . . . . . . . c34215_6f7o 1 . 19 . 4243 . 1 1 2 ASP HB2 H -6.395 4.475 10.745 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HB2 . . . . . . . . . c34215_6f7o 1 . 19 . 4244 . 1 1 2 ASP HB3 H -4.785 4.197 11.407 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HB3 . . . . . . . . . c34215_6f7o 1 . 19 . 4245 . 1 1 2 ASP N N -3.690 3.372 9.412 . . . 1.0 . . . . . . . . . . . . A . 2 ASP N . . . . . . . . . c34215_6f7o 1 . 19 . 4246 . 1 1 2 ASP O O -3.419 5.801 8.165 . . . 1.0 . . . . . . . . . . . . A . 2 ASP O . . . . . . . . . c34215_6f7o 1 . 19 . 4247 . 1 1 2 ASP OD1 O -6.022 6.965 10.328 . . . 1.0 . . . . . . . . . . . . A . 2 ASP OD1 . . . . . . . . . c34215_6f7o 1 . 19 . 4248 . 1 1 2 ASP OD2 O -4.161 6.604 11.440 . . . 1.0 . . . . . . . . . . . . A . 2 ASP OD2 . . . . . . . . . c34215_6f7o 1 . 19 . 4249 . 1 1 3 PRO C C -5.075 8.422 7.647 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . c34215_6f7o 1 . 19 . 4250 . 1 1 3 PRO CA C -5.513 7.161 6.907 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . c34215_6f7o 1 . 19 . 4251 . 1 1 3 PRO CB C -6.928 7.332 6.353 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . c34215_6f7o 1 . 19 . 4252 . 1 1 3 PRO CD C -7.034 5.596 7.991 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . c34215_6f7o 1 . 19 . 4253 . 1 1 3 PRO CG C -7.816 6.729 7.386 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . c34215_6f7o 1 . 19 . 4254 . 1 1 3 PRO HA H -4.827 6.968 6.095 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . c34215_6f7o 1 . 19 . 4255 . 1 1 3 PRO HB2 H -7.140 8.384 6.212 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . c34215_6f7o 1 . 19 . 4256 . 1 1 3 PRO HB3 H -7.014 6.815 5.410 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . c34215_6f7o 1 . 19 . 4257 . 1 1 3 PRO HD2 H -7.267 5.495 9.041 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . c34215_6f7o 1 . 19 . 4258 . 1 1 3 PRO HD3 H -7.240 4.674 7.467 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . c34215_6f7o 1 . 19 . 4259 . 1 1 3 PRO HG2 H -8.054 7.465 8.140 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . c34215_6f7o 1 . 19 . 4260 . 1 1 3 PRO HG3 H -8.717 6.357 6.924 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . c34215_6f7o 1 . 19 . 4261 . 1 1 3 PRO N N -5.633 6.004 7.799 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . c34215_6f7o 1 . 19 . 4262 . 1 1 3 PRO O O -5.887 9.308 7.918 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . c34215_6f7o 1 . 19 . 4263 . 1 1 4 GLN C C -1.748 9.482 8.923 . . . 1.0 . . . . . . . . . . . . A . 4 GLN C . . . . . . . . . c34215_6f7o 1 . 19 . 4264 . 1 1 4 GLN CA C -3.244 9.649 8.680 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CA . . . . . . . . . c34215_6f7o 1 . 19 . 4265 . 1 1 4 GLN CB C -3.970 9.843 10.011 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CB . . . . . . . . . c34215_6f7o 1 . 19 . 4266 . 1 1 4 GLN CD C -5.521 11.306 11.370 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CD . . . . . . . . . c34215_6f7o 1 . 19 . 4267 . 1 1 4 GLN CG C -4.608 11.215 10.162 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CG . . . . . . . . . c34215_6f7o 1 . 19 . 4268 . 1 1 4 GLN H H -3.191 7.759 7.729 . . . 1.0 . . . . . . . . . . . . A . 4 GLN H . . . . . . . . . c34215_6f7o 1 . 19 . 4269 . 1 1 4 GLN HA H -3.401 10.521 8.065 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HA . . . . . . . . . c34215_6f7o 1 . 19 . 4270 . 1 1 4 GLN HB2 H -4.747 9.097 10.098 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HB2 . . . . . . . . . c34215_6f7o 1 . 19 . 4271 . 1 1 4 GLN HB3 H -3.263 9.710 10.818 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HB3 . . . . . . . . . c34215_6f7o 1 . 19 . 4272 . 1 1 4 GLN HE21 H -7.088 11.628 10.192 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HE21 . . . . . . . . . c34215_6f7o 1 . 19 . 4273 . 1 1 4 GLN HE22 H -7.418 11.594 11.889 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HE22 . . . . . . . . . c34215_6f7o 1 . 19 . 4274 . 1 1 4 GLN HG2 H -3.826 11.952 10.266 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HG2 . . . . . . . . . c34215_6f7o 1 . 19 . 4275 . 1 1 4 GLN HG3 H -5.186 11.428 9.276 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HG3 . . . . . . . . . c34215_6f7o 1 . 19 . 4276 . 1 1 4 GLN N N -3.788 8.496 7.972 . . . 1.0 . . . . . . . . . . . . A . 4 GLN N . . . . . . . . . c34215_6f7o 1 . 19 . 4277 . 1 1 4 GLN NE2 N -6.807 11.533 11.127 . . . 1.0 . . . . . . . . . . . . A . 4 GLN NE2 . . . . . . . . . c34215_6f7o 1 . 19 . 4278 . 1 1 4 GLN O O -0.972 10.422 8.745 . . . 1.0 . . . . . . . . . . . . A . 4 GLN O . . . . . . . . . c34215_6f7o 1 . 19 . 4279 . 1 1 4 GLN OE1 O -5.075 11.172 12.511 . . . 1.0 . . . . . . . . . . . . A . 4 GLN OE1 . . . . . . . . . c34215_6f7o 1 . 19 . 4280 . 1 1 5 HIS C C 0.830 7.820 8.298 . . . 1.0 . . . . . . . . . . . . A . 5 HIS C . . . . . . . . . c34215_6f7o 1 . 19 . 4281 . 1 1 5 HIS CA C 0.054 7.991 9.600 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CA . . . . . . . . . c34215_6f7o 1 . 19 . 4282 . 1 1 5 HIS CB C 0.183 6.728 10.454 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CB . . . . . . . . . c34215_6f7o 1 . 19 . 4283 . 1 1 5 HIS CD2 C 2.379 7.343 11.692 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CD2 . . . . . . . . . c34215_6f7o 1 . 19 . 4284 . 1 1 5 HIS CE1 C 3.431 5.436 11.442 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CE1 . . . . . . . . . c34215_6f7o 1 . 19 . 4285 . 1 1 5 HIS CG C 1.561 6.514 11.001 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CG . . . . . . . . . c34215_6f7o 1 . 19 . 4286 . 1 1 5 HIS H H -2.017 7.574 9.457 . . . 1.0 . . . . . . . . . . . . A . 5 HIS H . . . . . . . . . c34215_6f7o 1 . 19 . 4287 . 1 1 5 HIS HA H 0.468 8.827 10.144 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HA . . . . . . . . . c34215_6f7o 1 . 19 . 4288 . 1 1 5 HIS HB2 H -0.497 6.797 11.289 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB2 . . . . . . . . . c34215_6f7o 1 . 19 . 4289 . 1 1 5 HIS HB3 H -0.075 5.868 9.854 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB3 . . . . . . . . . c34215_6f7o 1 . 19 . 4290 . 1 1 5 HIS HD1 H 1.922 4.527 10.404 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD1 . . . . . . . . . c34215_6f7o 1 . 19 . 4291 . 1 1 5 HIS HD2 H 2.162 8.363 11.983 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD2 . . . . . . . . . c34215_6f7o 1 . 19 . 4292 . 1 1 5 HIS HE1 H 4.185 4.665 11.492 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HE1 . . . . . . . . . c34215_6f7o 1 . 19 . 4293 . 1 1 5 HIS N N -1.349 8.282 9.333 . . . 1.0 . . . . . . . . . . . . A . 5 HIS N . . . . . . . . . c34215_6f7o 1 . 19 . 4294 . 1 1 5 HIS ND1 N 2.249 5.328 10.862 . . . 1.0 . . . . . . . . . . . . A . 5 HIS ND1 . . . . . . . . . c34215_6f7o 1 . 19 . 4295 . 1 1 5 HIS NE2 N 3.533 6.650 11.955 . . . 1.0 . . . . . . . . . . . . A . 5 HIS NE2 . . . . . . . . . c34215_6f7o 1 . 19 . 4296 . 1 1 5 HIS O O 2.045 8.020 8.292 . . . 1.0 . . . . . . . . . . . . A . 5 HIS O . . . . . . . . . c34215_6f7o 1 . 19 . 4297 . 1 1 6 . C C 1.335 8.541 5.490 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 C . . . . . . . . . c34215_6f7o 1 . 19 . 4298 . 1 1 6 . CA C 0.764 7.174 5.880 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 CA . . . . . . . . . c34215_6f7o 1 . 19 . 4299 . 1 1 6 . CB C -0.357 6.753 4.876 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 CB . . . . . . . . . c34215_6f7o 1 . 19 . 4300 . 1 1 6 . CB1 C 1.858 6.062 5.897 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 CB1 . . . . . . . . . c34215_6f7o 1 . 19 . 4301 . 1 1 6 . CD C -0.114 7.887 2.548 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 CD . . . . . . . . . c34215_6f7o 1 . 19 . 4302 . 1 1 6 . CE C 0.669 7.799 1.252 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 CE . . . . . . . . . c34215_6f7o 1 . 19 . 4303 . 1 1 6 . CG C 0.090 6.612 3.393 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 CG . . . . . . . . . c34215_6f7o 1 . 19 . 4304 . 1 1 6 . HB H -0.746 5.785 5.201 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HB . . . . . . . . . c34215_6f7o 1 . 19 . 4305 . 1 1 6 . HB1 H 1.403 5.075 6.014 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HB1 . . . . . . . . . c34215_6f7o 1 . 19 . 4306 . 1 1 6 . HB1A H 2.453 6.052 4.982 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HB1A . . . . . . . . . c34215_6f7o 1 . 19 . 4307 . 1 1 6 . HB1B H 2.560 6.184 6.719 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HB1B . . . . . . . . . c34215_6f7o 1 . 19 . 4308 . 1 1 6 . HBA H -1.201 7.444 4.939 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HBA . . . . . . . . . c34215_6f7o 1 . 19 . 4309 . 1 1 6 . HD H -1.178 7.988 2.319 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HD . . . . . . . . . c34215_6f7o 1 . 19 . 4310 . 1 1 6 . HDA H 0.166 8.769 3.113 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HDA . . . . . . . . . c34215_6f7o 1 . 19 . 4311 . 1 1 6 . HE H 0.382 6.975 0.602 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HE . . . . . . . . . c34215_6f7o 1 . 19 . 4312 . 1 1 6 . HG H 1.131 6.304 3.322 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HG . . . . . . . . . c34215_6f7o 1 . 19 . 4313 . 1 1 6 . HGA H -0.490 5.808 2.932 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HGA . . . . . . . . . c34215_6f7o 1 . 19 . 4314 . 1 1 6 . HN H -0.782 7.021 7.357 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HN . . . . . . . . . c34215_6f7o 1 . 19 . 4315 . 1 1 6 . N N 0.180 7.302 7.230 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 N . . . . . . . . . c34215_6f7o 1 . 19 . 4316 . 1 1 6 . O O 2.499 8.731 5.211 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 O . . . . . . . . . c34215_6f7o 1 . 19 . 4317 . 1 1 7 ARG C C 1.876 11.484 6.295 . . . 1.0 . . . . . . . . . . . . A . 7 ARG C . . . . . . . . . c34215_6f7o 1 . 19 . 4318 . 1 1 7 ARG CA C 0.770 10.978 5.371 . . . 1.0 . . . . . . . . . . . . A . 7 ARG CA . . . . . . . . . c34215_6f7o 1 . 19 . 4319 . 1 1 7 ARG CB C -0.489 11.831 5.552 . . . 1.0 . . . . . . . . . . . . A . 7 ARG CB . . . . . . . . . c34215_6f7o 1 . 19 . 4320 . 1 1 7 ARG CD C 0.178 14.249 5.707 . . . 1.0 . . . . . . . . . . . . A . 7 ARG CD . . . . . . . . . c34215_6f7o 1 . 19 . 4321 . 1 1 7 ARG CG C -0.428 13.166 4.827 . . . 1.0 . . . . . . . . . . . . A . 7 ARG CG . . . . . . . . . c34215_6f7o 1 . 19 . 4322 . 1 1 7 ARG CZ C -0.623 16.315 4.643 . . . 1.0 . . . . . . . . . . . . A . 7 ARG CZ . . . . . . . . . c34215_6f7o 1 . 19 . 4323 . 1 1 7 ARG H H -0.437 9.319 5.896 . . . 1.0 . . . . . . . . . . . . A . 7 ARG H . . . . . . . . . c34215_6f7o 1 . 19 . 4324 . 1 1 7 ARG HA H 1.104 11.058 4.349 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HA . . . . . . . . . c34215_6f7o 1 . 19 . 4325 . 1 1 7 ARG HB2 H -1.338 11.280 5.176 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HB2 . . . . . . . . . c34215_6f7o 1 . 19 . 4326 . 1 1 7 ARG HB3 H -0.631 12.021 6.604 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HB3 . . . . . . . . . c34215_6f7o 1 . 19 . 4327 . 1 1 7 ARG HD2 H 0.220 13.887 6.724 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HD2 . . . . . . . . . c34215_6f7o 1 . 19 . 4328 . 1 1 7 ARG HD3 H 1.178 14.459 5.357 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HD3 . . . . . . . . . c34215_6f7o 1 . 19 . 4329 . 1 1 7 ARG HE H -1.145 15.696 6.466 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HE . . . . . . . . . c34215_6f7o 1 . 19 . 4330 . 1 1 7 ARG HG2 H 0.178 13.056 3.942 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HG2 . . . . . . . . . c34215_6f7o 1 . 19 . 4331 . 1 1 7 ARG HG3 H -1.429 13.459 4.549 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HG3 . . . . . . . . . c34215_6f7o 1 . 19 . 4332 . 1 1 7 ARG HH11 H 0.080 16.678 2.782 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HH11 . . . . . . . . . c34215_6f7o 1 . 19 . 4333 . 1 1 7 ARG HH12 H 0.652 15.220 3.522 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HH12 . . . . . . . . . c34215_6f7o 1 . 19 . 4334 . 1 1 7 ARG HH21 H -1.374 18.044 3.911 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HH21 . . . . . . . . . c34215_6f7o 1 . 19 . 4335 . 1 1 7 ARG HH22 H -1.905 17.618 5.503 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HH22 . . . . . . . . . c34215_6f7o 1 . 19 . 4336 . 1 1 7 ARG N N 0.472 9.576 5.637 . . . 1.0 . . . . . . . . . . . . A . 7 ARG N . . . . . . . . . c34215_6f7o 1 . 19 . 4337 . 1 1 7 ARG NE N -0.605 15.481 5.676 . . . 1.0 . . . . . . . . . . . . A . 7 ARG NE . . . . . . . . . c34215_6f7o 1 . 19 . 4338 . 1 1 7 ARG NH1 N 0.095 16.049 3.559 . . . 1.0 . . . . . . . . . . . . A . 7 ARG NH1 . . . . . . . . . c34215_6f7o 1 . 19 . 4339 . 1 1 7 ARG NH2 N -1.362 17.415 4.690 . . . 1.0 . . . . . . . . . . . . A . 7 ARG NH2 . . . . . . . . . c34215_6f7o 1 . 19 . 4340 . 1 1 7 ARG O O 2.823 12.128 5.848 . . . 1.0 . . . . . . . . . . . . A . 7 ARG O . . . . . . . . . c34215_6f7o 1 . 19 . 4341 . 1 1 8 LYS C C 4.127 11.112 8.190 . . . 1.0 . . . . . . . . . . . . A . 8 LYS C . . . . . . . . . c34215_6f7o 1 . 19 . 4342 . 1 1 8 LYS CA C 2.734 11.610 8.569 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CA . . . . . . . . . c34215_6f7o 1 . 19 . 4343 . 1 1 8 LYS CB C 2.354 11.089 9.955 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CB . . . . . . . . . c34215_6f7o 1 . 19 . 4344 . 1 1 8 LYS CD C 4.098 12.476 11.115 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CD . . . . . . . . . c34215_6f7o 1 . 19 . 4345 . 1 1 8 LYS CE C 3.108 13.423 11.778 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CE . . . . . . . . . c34215_6f7o 1 . 19 . 4346 . 1 1 8 LYS CG C 3.510 11.086 10.942 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CG . . . . . . . . . c34215_6f7o 1 . 19 . 4347 . 1 1 8 LYS H H 0.968 10.668 7.878 . . . 1.0 . . . . . . . . . . . . A . 8 LYS H . . . . . . . . . c34215_6f7o 1 . 19 . 4348 . 1 1 8 LYS HA H 2.743 12.688 8.587 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HA . . . . . . . . . c34215_6f7o 1 . 19 . 4349 . 1 1 8 LYS HB2 H 1.567 11.712 10.357 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB2 . . . . . . . . . c34215_6f7o 1 . 19 . 4350 . 1 1 8 LYS HB3 H 1.988 10.078 9.859 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB3 . . . . . . . . . c34215_6f7o 1 . 19 . 4351 . 1 1 8 LYS HD2 H 4.981 12.409 11.733 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD2 . . . . . . . . . c34215_6f7o 1 . 19 . 4352 . 1 1 8 LYS HD3 H 4.365 12.868 10.146 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD3 . . . . . . . . . c34215_6f7o 1 . 19 . 4353 . 1 1 8 LYS HE2 H 2.181 12.894 11.938 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE2 . . . . . . . . . c34215_6f7o 1 . 19 . 4354 . 1 1 8 LYS HE3 H 3.512 13.738 12.729 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE3 . . . . . . . . . c34215_6f7o 1 . 19 . 4355 . 1 1 8 LYS HG2 H 3.155 10.735 11.899 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG2 . . . . . . . . . c34215_6f7o 1 . 19 . 4356 . 1 1 8 LYS HG3 H 4.280 10.422 10.577 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG3 . . . . . . . . . c34215_6f7o 1 . 19 . 4357 . 1 1 8 LYS HZ1 H 3.426 14.592 10.079 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ1 . . . . . . . . . c34215_6f7o 1 . 19 . 4358 . 1 1 8 LYS HZ2 H 3.073 15.487 11.469 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ2 . . . . . . . . . c34215_6f7o 1 . 19 . 4359 . 1 1 8 LYS HZ3 H 1.841 14.656 10.666 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ3 . . . . . . . . . c34215_6f7o 1 . 19 . 4360 . 1 1 8 LYS N N 1.747 11.186 7.581 . . . 1.0 . . . . . . . . . . . . A . 8 LYS N . . . . . . . . . c34215_6f7o 1 . 19 . 4361 . 1 1 8 LYS NZ N 2.843 14.624 10.939 . . . 1.0 . . . . . . . . . . . . A . 8 LYS NZ . . . . . . . . . c34215_6f7o 1 . 19 . 4362 . 1 1 8 LYS O O 5.095 11.872 8.213 . . . 1.0 . . . . . . . . . . . . A . 8 LYS O . . . . . . . . . c34215_6f7o 1 . 19 . 4363 . 1 1 9 LEU C C 5.966 9.777 6.116 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . c34215_6f7o 1 . 19 . 4364 . 1 1 9 LEU CA C 5.494 9.235 7.462 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . c34215_6f7o 1 . 19 . 4365 . 1 1 9 LEU CB C 5.365 7.712 7.393 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . c34215_6f7o 1 . 19 . 4366 . 1 1 9 LEU CD1 C 5.161 5.619 8.758 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . c34215_6f7o 1 . 19 . 4367 . 1 1 9 LEU CD2 C 7.396 6.699 8.455 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . c34215_6f7o 1 . 19 . 4368 . 1 1 9 LEU CG C 5.901 6.939 8.599 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . c34215_6f7o 1 . 19 . 4369 . 1 1 9 LEU H H 3.412 9.275 7.847 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . c34215_6f7o 1 . 19 . 4370 . 1 1 9 LEU HA H 6.221 9.493 8.217 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . c34215_6f7o 1 . 19 . 4371 . 1 1 9 LEU HB2 H 4.318 7.474 7.286 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . c34215_6f7o 1 . 19 . 4372 . 1 1 9 LEU HB3 H 5.900 7.375 6.516 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . c34215_6f7o 1 . 19 . 4373 . 1 1 9 LEU HD11 H 5.441 5.161 9.693 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . c34215_6f7o 1 . 19 . 4374 . 1 1 9 LEU HD12 H 5.420 4.959 7.941 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . c34215_6f7o 1 . 19 . 4375 . 1 1 9 LEU HD13 H 4.097 5.799 8.747 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . c34215_6f7o 1 . 19 . 4376 . 1 1 9 LEU HD21 H 7.832 6.545 9.431 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . c34215_6f7o 1 . 19 . 4377 . 1 1 9 LEU HD22 H 7.855 7.561 7.992 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . c34215_6f7o 1 . 19 . 4378 . 1 1 9 LEU HD23 H 7.565 5.827 7.843 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . c34215_6f7o 1 . 19 . 4379 . 1 1 9 LEU HG H 5.739 7.523 9.494 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . c34215_6f7o 1 . 19 . 4380 . 1 1 9 LEU N N 4.219 9.833 7.845 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . c34215_6f7o 1 . 19 . 4381 . 1 1 9 LEU O O 7.174 9.879 5.900 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . c34215_6f7o 1 . 19 . 4382 . 1 1 10 . C C 5.998 12.000 4.060 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 C . . . . . . . . . c34215_6f7o 1 . 19 . 4383 . 1 1 10 . CA C 5.414 10.603 3.804 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 CA . . . . . . . . . c34215_6f7o 1 . 19 . 4384 . 1 1 10 . CB C 4.134 10.797 2.928 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 CB . . . . . . . . . c34215_6f7o 1 . 19 . 4385 . 1 1 10 . CB1 C 6.439 9.740 3.007 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 CB1 . . . . . . . . . c34215_6f7o 1 . 19 . 4386 . 1 1 10 . CD C 2.218 9.813 1.565 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 CD . . . . . . . . . c34215_6f7o 1 . 19 . 4387 . 1 1 10 . CE C 1.665 8.599 0.847 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 CE . . . . . . . . . c34215_6f7o 1 . 19 . 4388 . 1 1 10 . CG C 3.584 9.527 2.226 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 CG . . . . . . . . . c34215_6f7o 1 . 19 . 4389 . 1 1 10 . HB H 3.346 11.232 3.542 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HB . . . . . . . . . c34215_6f7o 1 . 19 . 4390 . 1 1 10 . HB1 H 6.546 10.111 1.983 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HB1 . . . . . . . . . c34215_6f7o 1 . 19 . 4391 . 1 1 10 . HB1A H 7.433 9.766 3.457 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HB1A . . . . . . . . . c34215_6f7o 1 . 19 . 4392 . 1 1 10 . HB1B H 6.125 8.696 2.963 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HB1B . . . . . . . . . c34215_6f7o 1 . 19 . 4393 . 1 1 10 . HBA H 4.351 11.532 2.147 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HBA . . . . . . . . . c34215_6f7o 1 . 19 . 4394 . 1 1 10 . HD H 1.519 10.186 2.312 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HD . . . . . . . . . c34215_6f7o 1 . 19 . 4395 . 1 1 10 . HDA H 2.340 10.620 0.838 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HDA . . . . . . . . . c34215_6f7o 1 . 19 . 4396 . 1 1 10 . HE H 2.127 8.390 -0.113 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HE . . . . . . . . . c34215_6f7o 1 . 19 . 4397 . 1 1 10 . HG H 4.279 9.198 1.450 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HG . . . . . . . . . c34215_6f7o 1 . 19 . 4398 . 1 1 10 . HGA H 3.483 8.704 2.933 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HGA . . . . . . . . . c34215_6f7o 1 . 19 . 4399 . 1 1 10 . HN H 4.111 9.774 5.293 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HN . . . . . . . . . c34215_6f7o 1 . 19 . 4400 . 1 1 10 . N N 5.079 9.978 5.113 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 N . . . . . . . . . c34215_6f7o 1 . 19 . 4401 . 1 1 10 . O O 6.983 12.435 3.495 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 O . . . . . . . . . c34215_6f7o 1 . 19 . 4402 . 1 1 11 GLN C C 7.158 13.949 6.165 . . . 1.0 . . . . . . . . . . . . A . 11 GLN C . . . . . . . . . c34215_6f7o 1 . 19 . 4403 . 1 1 11 GLN CA C 5.803 14.038 5.471 . . . 1.0 . . . . . . . . . . . . A . 11 GLN CA . . . . . . . . . c34215_6f7o 1 . 19 . 4404 . 1 1 11 GLN CB C 4.768 14.643 6.421 . . . 1.0 . . . . . . . . . . . . A . 11 GLN CB . . . . . . . . . c34215_6f7o 1 . 19 . 4405 . 1 1 11 GLN CD C 5.019 16.859 7.606 . . . 1.0 . . . . . . . . . . . . A . 11 GLN CD . . . . . . . . . c34215_6f7o 1 . 19 . 4406 . 1 1 11 GLN CG C 4.655 16.154 6.313 . . . 1.0 . . . . . . . . . . . . A . 11 GLN CG . . . . . . . . . c34215_6f7o 1 . 19 . 4407 . 1 1 11 GLN H H 4.517 12.363 5.346 . . . 1.0 . . . . . . . . . . . . A . 11 GLN H . . . . . . . . . c34215_6f7o 1 . 19 . 4408 . 1 1 11 GLN HA H 5.898 14.675 4.602 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HA . . . . . . . . . c34215_6f7o 1 . 19 . 4409 . 1 1 11 GLN HB2 H 3.802 14.216 6.202 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HB2 . . . . . . . . . c34215_6f7o 1 . 19 . 4410 . 1 1 11 GLN HB3 H 5.042 14.394 7.436 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HB3 . . . . . . . . . c34215_6f7o 1 . 19 . 4411 . 1 1 11 GLN HE21 H 6.798 17.351 6.867 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HE21 . . . . . . . . . c34215_6f7o 1 . 19 . 4412 . 1 1 11 GLN HE22 H 6.481 17.886 8.479 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HE22 . . . . . . . . . c34215_6f7o 1 . 19 . 4413 . 1 1 11 GLN HG2 H 5.320 16.499 5.536 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HG2 . . . . . . . . . c34215_6f7o 1 . 19 . 4414 . 1 1 11 GLN HG3 H 3.638 16.411 6.054 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HG3 . . . . . . . . . c34215_6f7o 1 . 19 . 4415 . 1 1 11 GLN N N 5.365 12.722 5.016 . . . 1.0 . . . . . . . . . . . . A . 11 GLN N . . . . . . . . . c34215_6f7o 1 . 19 . 4416 . 1 1 11 GLN NE2 N 6.221 17.422 7.657 . . . 1.0 . . . . . . . . . . . . A . 11 GLN NE2 . . . . . . . . . c34215_6f7o 1 . 19 . 4417 . 1 1 11 GLN O O 7.888 14.937 6.252 . . . 1.0 . . . . . . . . . . . . A . 11 GLN O . . . . . . . . . c34215_6f7o 1 . 19 . 4418 . 1 1 11 GLN OE1 O 4.226 16.900 8.549 . . . 1.0 . . . . . . . . . . . . A . 11 GLN OE1 . . . . . . . . . c34215_6f7o 1 . 19 . 4419 . 1 1 12 ALA C C 9.431 11.265 6.858 . . . 1.0 . . . . . . . . . . . . A . 12 ALA C . . . . . . . . . c34215_6f7o 1 . 19 . 4420 . 1 1 12 ALA CA C 8.755 12.544 7.345 . . . 1.0 . . . . . . . . . . . . A . 12 ALA CA . . . . . . . . . c34215_6f7o 1 . 19 . 4421 . 1 1 12 ALA CB C 8.541 12.487 8.850 . . . 1.0 . . . . . . . . . . . . A . 12 ALA CB . . . . . . . . . c34215_6f7o 1 . 19 . 4422 . 1 1 12 ALA H H 6.864 12.012 6.559 . . . 1.0 . . . . . . . . . . . . A . 12 ALA H . . . . . . . . . c34215_6f7o 1 . 19 . 4423 . 1 1 12 ALA HA H 9.400 13.384 7.130 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HA . . . . . . . . . c34215_6f7o 1 . 19 . 4424 . 1 1 12 ALA HB1 H 7.925 11.632 9.092 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB1 . . . . . . . . . c34215_6f7o 1 . 19 . 4425 . 1 1 12 ALA HB2 H 9.494 12.399 9.348 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB2 . . . . . . . . . c34215_6f7o 1 . 19 . 4426 . 1 1 12 ALA HB3 H 8.046 13.390 9.175 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB3 . . . . . . . . . c34215_6f7o 1 . 19 . 4427 . 1 1 12 ALA N N 7.489 12.761 6.658 . . . 1.0 . . . . . . . . . . . . A . 12 ALA N . . . . . . . . . c34215_6f7o 1 . 19 . 4428 . 1 1 12 ALA O O 9.714 10.363 7.645 . . . 1.0 . . . . . . . . . . . . A . 12 ALA O . . . . . . . . . c34215_6f7o 1 . 19 . 4429 . 1 1 13 ALA C C 11.616 9.679 5.703 . . . 1.0 . . . . . . . . . . . . A . 13 ALA C . . . . . . . . . c34215_6f7o 1 . 19 . 4430 . 1 1 13 ALA CA C 10.330 10.029 4.964 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CA . . . . . . . . . c34215_6f7o 1 . 19 . 4431 . 1 1 13 ALA CB C 10.614 10.273 3.491 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CB . . . . . . . . . c34215_6f7o 1 . 19 . 4432 . 1 1 13 ALA H H 9.437 11.948 4.979 . . . 1.0 . . . . . . . . . . . . A . 13 ALA H . . . . . . . . . c34215_6f7o 1 . 19 . 4433 . 1 1 13 ALA HA H 9.646 9.196 5.040 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HA . . . . . . . . . c34215_6f7o 1 . 19 . 4434 . 1 1 13 ALA HB1 H 10.414 9.371 2.930 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB1 . . . . . . . . . c34215_6f7o 1 . 19 . 4435 . 1 1 13 ALA HB2 H 9.980 11.070 3.128 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB2 . . . . . . . . . c34215_6f7o 1 . 19 . 4436 . 1 1 13 ALA HB3 H 11.649 10.551 3.365 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB3 . . . . . . . . . c34215_6f7o 1 . 19 . 4437 . 1 1 13 ALA N N 9.687 11.196 5.556 . . . 1.0 . . . . . . . . . . . . A . 13 ALA N . . . . . . . . . c34215_6f7o 1 . 19 . 4438 . 1 1 13 ALA O O 11.758 8.580 6.240 . . . 1.0 . . . . . . . . . . . . A . 13 ALA O . . . . . . . . . c34215_6f7o 1 . 19 . 4439 . 1 1 14 ARG C C 13.627 10.134 7.883 . . . 1.0 . . . . . . . . . . . . A . 14 ARG C . . . . . . . . . c34215_6f7o 1 . 19 . 4440 . 1 1 14 ARG CA C 13.832 10.411 6.396 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CA . . . . . . . . . c34215_6f7o 1 . 19 . 4441 . 1 1 14 ARG CB C 14.734 11.631 6.213 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CB . . . . . . . . . c34215_6f7o 1 . 19 . 4442 . 1 1 14 ARG CD C 17.118 11.160 5.566 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CD . . . . . . . . . c34215_6f7o 1 . 19 . 4443 . 1 1 14 ARG CG C 15.721 11.494 5.065 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CG . . . . . . . . . c34215_6f7o 1 . 19 . 4444 . 1 1 14 ARG CZ C 17.256 8.709 5.452 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CZ . . . . . . . . . c34215_6f7o 1 . 19 . 4445 . 1 1 14 ARG H H 12.384 11.477 5.279 . . . 1.0 . . . . . . . . . . . . A . 14 ARG H . . . . . . . . . c34215_6f7o 1 . 19 . 4446 . 1 1 14 ARG HA H 14.308 9.551 5.944 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HA . . . . . . . . . c34215_6f7o 1 . 19 . 4447 . 1 1 14 ARG HB2 H 14.116 12.497 6.027 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB2 . . . . . . . . . c34215_6f7o 1 . 19 . 4448 . 1 1 14 ARG HB3 H 15.298 11.788 7.123 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB3 . . . . . . . . . c34215_6f7o 1 . 19 . 4449 . 1 1 14 ARG HD2 H 17.804 11.204 4.733 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD2 . . . . . . . . . c34215_6f7o 1 . 19 . 4450 . 1 1 14 ARG HD3 H 17.404 11.891 6.306 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD3 . . . . . . . . . c34215_6f7o 1 . 19 . 4451 . 1 1 14 ARG HE H 17.165 9.769 7.141 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HE . . . . . . . . . c34215_6f7o 1 . 19 . 4452 . 1 1 14 ARG HG2 H 15.388 10.703 4.410 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG2 . . . . . . . . . c34215_6f7o 1 . 19 . 4453 . 1 1 14 ARG HG3 H 15.757 12.426 4.520 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG3 . . . . . . . . . c34215_6f7o 1 . 19 . 4454 . 1 1 14 ARG HH11 H 17.337 7.912 3.598 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH11 . . . . . . . . . c34215_6f7o 1 . 19 . 4455 . 1 1 14 ARG HH12 H 17.238 9.642 3.662 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH12 . . . . . . . . . c34215_6f7o 1 . 19 . 4456 . 1 1 14 ARG HH21 H 17.366 6.692 5.534 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH21 . . . . . . . . . c34215_6f7o 1 . 19 . 4457 . 1 1 14 ARG HH22 H 17.294 7.494 7.069 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH22 . . . . . . . . . c34215_6f7o 1 . 19 . 4458 . 1 1 14 ARG N N 12.555 10.620 5.724 . . . 1.0 . . . . . . . . . . . . A . 14 ARG N . . . . . . . . . c34215_6f7o 1 . 19 . 4459 . 1 1 14 ARG NE N 17.181 9.830 6.163 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NE . . . . . . . . . c34215_6f7o 1 . 19 . 4460 . 1 1 14 ARG NH1 N 17.279 8.758 4.129 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH1 . . . . . . . . . c34215_6f7o 1 . 19 . 4461 . 1 1 14 ARG NH2 N 17.310 7.534 6.070 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH2 . . . . . . . . . c34215_6f7o 1 . 19 . 4462 . 1 1 14 ARG O O 13.822 8.999 8.316 . . . 1.0 . . . . . . . . . . . . A . 14 ARG O . . . . . . . . . c34215_6f7o 1 . 19 . 4463 . 1 1 15 NH2 HN1 H 13.101 12.058 8.197 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 HN1 . . . . . . . . . c34215_6f7o 1 . 19 . 4464 . 1 1 15 NH2 HN2 H 13.089 11.046 9.602 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 HN2 . . . . . . . . . c34215_6f7o 1 . 19 . 4465 . 1 1 15 NH2 N N 13.241 11.165 8.621 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 N . . . . . . . . . c34215_6f7o 1 . 20 . 4466 . 1 1 1 ACE C C -2.689 1.031 6.173 . . . 1.0 . . . . . . . . . . . . A . 1 ACE C . . . . . . . . . c34215_6f7o 1 . 20 . 4467 . 1 1 1 ACE CH3 C -1.448 0.252 5.897 . . . 1.0 . . . . . . . . . . . . A . 1 ACE CH3 . . . . . . . . . c34215_6f7o 1 . 20 . 4468 . 1 1 1 ACE H1 H -1.619 -0.798 6.135 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H1 . . . . . . . . . c34215_6f7o 1 . 20 . 4469 . 1 1 1 ACE H2 H -1.186 0.348 4.845 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H2 . . . . . . . . . c34215_6f7o 1 . 20 . 4470 . 1 1 1 ACE H3 H -0.635 0.635 6.511 . . . 1.0 . . . . . . . . . . . . A . 1 ACE H3 . . . . . . . . . c34215_6f7o 1 . 20 . 4471 . 1 1 1 ACE O O -3.758 0.772 5.621 . . . 1.0 . . . . . . . . . . . . A . 1 ACE O . . . . . . . . . c34215_6f7o 1 . 20 . 4472 . 1 1 2 ASP C C -3.384 4.327 7.072 . . . 1.0 . . . . . . . . . . . . A . 2 ASP C . . . . . . . . . c34215_6f7o 1 . 20 . 4473 . 1 1 2 ASP CA C -3.669 2.871 7.428 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CA . . . . . . . . . c34215_6f7o 1 . 20 . 4474 . 1 1 2 ASP CB C -3.953 2.747 8.925 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CB . . . . . . . . . c34215_6f7o 1 . 20 . 4475 . 1 1 2 ASP CG C -3.558 1.392 9.480 . . . 1.0 . . . . . . . . . . . . A . 2 ASP CG . . . . . . . . . c34215_6f7o 1 . 20 . 4476 . 1 1 2 ASP H H -1.669 2.174 7.459 . . . 1.0 . . . . . . . . . . . . A . 2 ASP H . . . . . . . . . c34215_6f7o 1 . 20 . 4477 . 1 1 2 ASP HA H -4.536 2.541 6.877 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HA . . . . . . . . . c34215_6f7o 1 . 20 . 4478 . 1 1 2 ASP HB2 H -3.399 3.507 9.456 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HB2 . . . . . . . . . c34215_6f7o 1 . 20 . 4479 . 1 1 2 ASP HB3 H -5.011 2.893 9.097 . . . 1.0 . . . . . . . . . . . . A . 2 ASP HB3 . . . . . . . . . c34215_6f7o 1 . 20 . 4480 . 1 1 2 ASP N N -2.548 2.015 7.053 . . . 1.0 . . . . . . . . . . . . A . 2 ASP N . . . . . . . . . c34215_6f7o 1 . 20 . 4481 . 1 1 2 ASP O O -2.236 4.748 6.945 . . . 1.0 . . . . . . . . . . . . A . 2 ASP O . . . . . . . . . c34215_6f7o 1 . 20 . 4482 . 1 1 2 ASP OD1 O -4.330 0.427 9.293 . . . 1.0 . . . . . . . . . . . . A . 2 ASP OD1 . . . . . . . . . c34215_6f7o 1 . 20 . 4483 . 1 1 2 ASP OD2 O -2.478 1.295 10.096 . . . 1.0 . . . . . . . . . . . . A . 2 ASP OD2 . . . . . . . . . c34215_6f7o 1 . 20 . 4484 . 1 1 3 PRO C C -3.793 7.371 7.708 . . . 1.0 . . . . . . . . . . . . A . 3 PRO C . . . . . . . . . c34215_6f7o 1 . 20 . 4485 . 1 1 3 PRO CA C -4.348 6.536 6.560 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CA . . . . . . . . . c34215_6f7o 1 . 20 . 4486 . 1 1 3 PRO CB C -5.794 6.939 6.257 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CB . . . . . . . . . c34215_6f7o 1 . 20 . 4487 . 1 1 3 PRO CD C -5.857 4.680 7.041 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CD . . . . . . . . . c34215_6f7o 1 . 20 . 4488 . 1 1 3 PRO CG C -6.625 5.974 7.029 . . . 1.0 . . . . . . . . . . . . A . 3 PRO CG . . . . . . . . . c34215_6f7o 1 . 20 . 4489 . 1 1 3 PRO HA H -3.740 6.686 5.679 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HA . . . . . . . . . c34215_6f7o 1 . 20 . 4490 . 1 1 3 PRO HB2 H -5.963 7.955 6.584 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB2 . . . . . . . . . c34215_6f7o 1 . 20 . 4491 . 1 1 3 PRO HB3 H -5.980 6.860 5.197 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HB3 . . . . . . . . . c34215_6f7o 1 . 20 . 4492 . 1 1 3 PRO HD2 H -6.010 4.159 7.973 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD2 . . . . . . . . . c34215_6f7o 1 . 20 . 4493 . 1 1 3 PRO HD3 H -6.150 4.063 6.205 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HD3 . . . . . . . . . c34215_6f7o 1 . 20 . 4494 . 1 1 3 PRO HG2 H -6.767 6.335 8.037 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG2 . . . . . . . . . c34215_6f7o 1 . 20 . 4495 . 1 1 3 PRO HG3 H -7.579 5.838 6.540 . . . 1.0 . . . . . . . . . . . . A . 3 PRO HG3 . . . . . . . . . c34215_6f7o 1 . 20 . 4496 . 1 1 3 PRO N N -4.456 5.116 6.904 . . . 1.0 . . . . . . . . . . . . A . 3 PRO N . . . . . . . . . c34215_6f7o 1 . 20 . 4497 . 1 1 3 PRO O O -3.433 6.837 8.757 . . . 1.0 . . . . . . . . . . . . A . 3 PRO O . . . . . . . . . c34215_6f7o 1 . 20 . 4498 . 1 1 4 GLN C C -1.709 9.393 8.717 . . . 1.0 . . . . . . . . . . . . A . 4 GLN C . . . . . . . . . c34215_6f7o 1 . 20 . 4499 . 1 1 4 GLN CA C -3.209 9.589 8.520 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CA . . . . . . . . . c34215_6f7o 1 . 20 . 4500 . 1 1 4 GLN CB C -3.942 9.369 9.845 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CB . . . . . . . . . c34215_6f7o 1 . 20 . 4501 . 1 1 4 GLN CD C -4.762 10.756 11.792 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CD . . . . . . . . . c34215_6f7o 1 . 20 . 4502 . 1 1 4 GLN CG C -4.768 10.566 10.288 . . . 1.0 . . . . . . . . . . . . A . 4 GLN CG . . . . . . . . . c34215_6f7o 1 . 20 . 4503 . 1 1 4 GLN H H -4.025 9.047 6.644 . . . 1.0 . . . . . . . . . . . . A . 4 GLN H . . . . . . . . . c34215_6f7o 1 . 20 . 4504 . 1 1 4 GLN HA H -3.386 10.599 8.185 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HA . . . . . . . . . c34215_6f7o 1 . 20 . 4505 . 1 1 4 GLN HB2 H -4.602 8.522 9.741 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HB2 . . . . . . . . . c34215_6f7o 1 . 20 . 4506 . 1 1 4 GLN HB3 H -3.215 9.158 10.614 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HB3 . . . . . . . . . c34215_6f7o 1 . 20 . 4507 . 1 1 4 GLN HE21 H -5.585 12.555 11.594 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HE21 . . . . . . . . . c34215_6f7o 1 . 20 . 4508 . 1 1 4 GLN HE22 H -5.259 12.052 13.215 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HE22 . . . . . . . . . c34215_6f7o 1 . 20 . 4509 . 1 1 4 GLN HG2 H -4.367 11.455 9.828 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HG2 . . . . . . . . . c34215_6f7o 1 . 20 . 4510 . 1 1 4 GLN HG3 H -5.788 10.424 9.963 . . . 1.0 . . . . . . . . . . . . A . 4 GLN HG3 . . . . . . . . . c34215_6f7o 1 . 20 . 4511 . 1 1 4 GLN N N -3.722 8.682 7.502 . . . 1.0 . . . . . . . . . . . . A . 4 GLN N . . . . . . . . . c34215_6f7o 1 . 20 . 4512 . 1 1 4 GLN NE2 N -5.253 11.903 12.247 . . . 1.0 . . . . . . . . . . . . A . 4 GLN NE2 . . . . . . . . . c34215_6f7o 1 . 20 . 4513 . 1 1 4 GLN O O -0.903 10.205 8.263 . . . 1.0 . . . . . . . . . . . . A . 4 GLN O . . . . . . . . . c34215_6f7o 1 . 20 . 4514 . 1 1 4 GLN OE1 O -4.322 9.880 12.538 . . . 1.0 . . . . . . . . . . . . A . 4 GLN OE1 . . . . . . . . . c34215_6f7o 1 . 20 . 4515 . 1 1 5 HIS C C 0.828 7.836 8.347 . . . 1.0 . . . . . . . . . . . . A . 5 HIS C . . . . . . . . . c34215_6f7o 1 . 20 . 4516 . 1 1 5 HIS CA C 0.061 8.010 9.655 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CA . . . . . . . . . c34215_6f7o 1 . 20 . 4517 . 1 1 5 HIS CB C 0.184 6.744 10.502 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CB . . . . . . . . . c34215_6f7o 1 . 20 . 4518 . 1 1 5 HIS CD2 C 0.998 6.792 12.965 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CD2 . . . . . . . . . c34215_6f7o 1 . 20 . 4519 . 1 1 5 HIS CE1 C 3.127 7.164 12.593 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CE1 . . . . . . . . . c34215_6f7o 1 . 20 . 4520 . 1 1 5 HIS CG C 1.170 6.869 11.625 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CG . . . . . . . . . c34215_6f7o 1 . 20 . 4521 . 1 1 5 HIS H H -2.033 7.703 9.734 . . . 1.0 . . . . . . . . . . . . A . 5 HIS H . . . . . . . . . c34215_6f7o 1 . 20 . 4522 . 1 1 5 HIS HA H 0.484 8.840 10.198 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HA . . . . . . . . . c34215_6f7o 1 . 20 . 4523 . 1 1 5 HIS HB2 H -0.778 6.511 10.931 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB2 . . . . . . . . . c34215_6f7o 1 . 20 . 4524 . 1 1 5 HIS HB3 H 0.500 5.925 9.873 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB3 . . . . . . . . . c34215_6f7o 1 . 20 . 4525 . 1 1 5 HIS HD1 H 2.952 7.210 10.555 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD1 . . . . . . . . . c34215_6f7o 1 . 20 . 4526 . 1 1 5 HIS HD2 H 0.066 6.615 13.485 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD2 . . . . . . . . . c34215_6f7o 1 . 20 . 4527 . 1 1 5 HIS HE1 H 4.180 7.336 12.745 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HE1 . . . . . . . . . c34215_6f7o 1 . 20 . 4528 . 1 1 5 HIS N N -1.343 8.313 9.397 . . . 1.0 . . . . . . . . . . . . A . 5 HIS N . . . . . . . . . c34215_6f7o 1 . 20 . 4529 . 1 1 5 HIS ND1 N 2.513 7.105 11.425 . . . 1.0 . . . . . . . . . . . . A . 5 HIS ND1 . . . . . . . . . c34215_6f7o 1 . 20 . 4530 . 1 1 5 HIS NE2 N 2.230 6.978 13.545 . . . 1.0 . . . . . . . . . . . . A . 5 HIS NE2 . . . . . . . . . c34215_6f7o 1 . 20 . 4531 . 1 1 5 HIS O O 2.042 8.027 8.333 . . . 1.0 . . . . . . . . . . . . A . 5 HIS O . . . . . . . . . c34215_6f7o 1 . 20 . 4532 . 1 1 6 . C C 1.320 8.563 5.541 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 C . . . . . . . . . c34215_6f7o 1 . 20 . 4533 . 1 1 6 . CA C 0.750 7.196 5.928 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 CA . . . . . . . . . c34215_6f7o 1 . 20 . 4534 . 1 1 6 . CB C -0.348 6.795 4.894 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 CB . . . . . . . . . c34215_6f7o 1 . 20 . 4535 . 1 1 6 . CB1 C 1.833 6.074 5.948 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 CB1 . . . . . . . . . c34215_6f7o 1 . 20 . 4536 . 1 1 6 . CD C -0.293 7.923 2.551 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 CD . . . . . . . . . c34215_6f7o 1 . 20 . 4537 . 1 1 6 . CE C 0.476 7.926 1.244 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 CE . . . . . . . . . c34215_6f7o 1 . 20 . 4538 . 1 1 6 . CG C 0.151 6.730 3.422 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 CG . . . . . . . . . c34215_6f7o 1 . 20 . 4539 . 1 1 6 . HB H -0.718 5.803 5.162 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HB . . . . . . . . . c34215_6f7o 1 . 20 . 4540 . 1 1 6 . HB1 H 2.540 6.204 6.762 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HB1 . . . . . . . . . c34215_6f7o 1 . 20 . 4541 . 1 1 6 . HB1A H 1.369 5.095 6.089 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HB1A . . . . . . . . . c34215_6f7o 1 . 20 . 4542 . 1 1 6 . HB1B H 2.418 6.040 5.033 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HB1B . . . . . . . . . c34215_6f7o 1 . 20 . 4543 . 1 1 6 . HBA H -1.208 7.464 4.973 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HBA . . . . . . . . . c34215_6f7o 1 . 20 . 4544 . 1 1 6 . HD H -1.359 7.828 2.340 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HD . . . . . . . . . c34215_6f7o 1 . 20 . 4545 . 1 1 6 . HDA H -0.163 8.856 3.094 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HDA . . . . . . . . . c34215_6f7o 1 . 20 . 4546 . 1 1 6 . HE H 0.184 7.149 0.542 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HE . . . . . . . . . c34215_6f7o 1 . 20 . 4547 . 1 1 6 . HG H 1.238 6.667 3.376 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HG . . . . . . . . . c34215_6f7o 1 . 20 . 4548 . 1 1 6 . HGA H -0.224 5.811 2.966 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HGA . . . . . . . . . c34215_6f7o 1 . 20 . 4549 . 1 1 6 . HN H -0.768 6.964 7.423 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 HN . . . . . . . . . c34215_6f7o 1 . 20 . 4550 . 1 1 6 . N N 0.170 7.317 7.280 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 N . . . . . . . . . c34215_6f7o 1 . 20 . 4551 . 1 1 6 . O O 2.486 8.748 5.267 . . . 1.0 . . . . . . . . . . . . A . 6 MK8 O . . . . . . . . . c34215_6f7o 1 . 20 . 4552 . 1 1 7 ARG C C 1.879 11.498 6.337 . . . 1.0 . . . . . . . . . . . . A . 7 ARG C . . . . . . . . . c34215_6f7o 1 . 20 . 4553 . 1 1 7 ARG CA C 0.762 10.998 5.422 . . . 1.0 . . . . . . . . . . . . A . 7 ARG CA . . . . . . . . . c34215_6f7o 1 . 20 . 4554 . 1 1 7 ARG CB C -0.489 11.859 5.615 . . . 1.0 . . . . . . . . . . . . A . 7 ARG CB . . . . . . . . . c34215_6f7o 1 . 20 . 4555 . 1 1 7 ARG CD C -1.811 13.583 4.351 . . . 1.0 . . . . . . . . . . . . A . 7 ARG CD . . . . . . . . . c34215_6f7o 1 . 20 . 4556 . 1 1 7 ARG CG C -0.439 13.183 4.869 . . . 1.0 . . . . . . . . . . . . A . 7 ARG CG . . . . . . . . . c34215_6f7o 1 . 20 . 4557 . 1 1 7 ARG CZ C -2.064 15.821 5.338 . . . 1.0 . . . . . . . . . . . . A . 7 ARG CZ . . . . . . . . . c34215_6f7o 1 . 20 . 4558 . 1 1 7 ARG H H -0.453 9.347 5.950 . . . 1.0 . . . . . . . . . . . . A . 7 ARG H . . . . . . . . . c34215_6f7o 1 . 20 . 4559 . 1 1 7 ARG HA H 1.090 11.082 4.396 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HA . . . . . . . . . c34215_6f7o 1 . 20 . 4560 . 1 1 7 ARG HB2 H -1.349 11.307 5.264 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HB2 . . . . . . . . . c34215_6f7o 1 . 20 . 4561 . 1 1 7 ARG HB3 H -0.609 12.068 6.666 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HB3 . . . . . . . . . c34215_6f7o 1 . 20 . 4562 . 1 1 7 ARG HD2 H -1.700 14.013 3.367 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HD2 . . . . . . . . . c34215_6f7o 1 . 20 . 4563 . 1 1 7 ARG HD3 H -2.430 12.700 4.292 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HD3 . . . . . . . . . c34215_6f7o 1 . 20 . 4564 . 1 1 7 ARG HE H -3.233 14.258 5.748 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HE . . . . . . . . . c34215_6f7o 1 . 20 . 4565 . 1 1 7 ARG HG2 H -0.081 13.951 5.540 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HG2 . . . . . . . . . c34215_6f7o 1 . 20 . 4566 . 1 1 7 ARG HG3 H 0.239 13.090 4.033 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HG3 . . . . . . . . . c34215_6f7o 1 . 20 . 4567 . 1 1 7 ARG HH11 H -0.728 17.209 4.726 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HH11 . . . . . . . . . c34215_6f7o 1 . 20 . 4568 . 1 1 7 ARG HH12 H -0.539 15.637 4.025 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HH12 . . . . . . . . . c34215_6f7o 1 . 20 . 4569 . 1 1 7 ARG HH21 H -2.408 17.600 6.234 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HH21 . . . . . . . . . c34215_6f7o 1 . 20 . 4570 . 1 1 7 ARG HH22 H -3.493 16.324 6.676 . . . 1.0 . . . . . . . . . . . . A . 7 ARG HH22 . . . . . . . . . c34215_6f7o 1 . 20 . 4571 . 1 1 7 ARG N N 0.459 9.598 5.688 . . . 1.0 . . . . . . . . . . . . A . 7 ARG N . . . . . . . . . c34215_6f7o 1 . 20 . 4572 . 1 1 7 ARG NE N -2.461 14.558 5.222 . . . 1.0 . . . . . . . . . . . . A . 7 ARG NE . . . . . . . . . c34215_6f7o 1 . 20 . 4573 . 1 1 7 ARG NH1 N -1.025 16.258 4.639 . . . 1.0 . . . . . . . . . . . . A . 7 ARG NH1 . . . . . . . . . c34215_6f7o 1 . 20 . 4574 . 1 1 7 ARG NH2 N -2.707 16.650 6.151 . . . 1.0 . . . . . . . . . . . . A . 7 ARG NH2 . . . . . . . . . c34215_6f7o 1 . 20 . 4575 . 1 1 7 ARG O O 2.829 12.135 5.881 . . . 1.0 . . . . . . . . . . . . A . 7 ARG O . . . . . . . . . c34215_6f7o 1 . 20 . 4576 . 1 1 8 LYS C C 4.142 11.114 8.215 . . . 1.0 . . . . . . . . . . . . A . 8 LYS C . . . . . . . . . c34215_6f7o 1 . 20 . 4577 . 1 1 8 LYS CA C 2.755 11.616 8.603 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CA . . . . . . . . . c34215_6f7o 1 . 20 . 4578 . 1 1 8 LYS CB C 2.384 11.098 9.993 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CB . . . . . . . . . c34215_6f7o 1 . 20 . 4579 . 1 1 8 LYS CD C 4.203 12.441 11.085 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CD . . . . . . . . . c34215_6f7o 1 . 20 . 4580 . 1 1 8 LYS CE C 4.358 12.861 12.540 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CE . . . . . . . . . c34215_6f7o 1 . 20 . 4581 . 1 1 8 LYS CG C 3.550 11.076 10.966 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CG . . . . . . . . . c34215_6f7o 1 . 20 . 4582 . 1 1 8 LYS H H 0.977 10.692 7.926 . . . 1.0 . . . . . . . . . . . . A . 8 LYS H . . . . . . . . . c34215_6f7o 1 . 20 . 4583 . 1 1 8 LYS HA H 2.769 12.696 8.624 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HA . . . . . . . . . c34215_6f7o 1 . 20 . 4584 . 1 1 8 LYS HB2 H 1.610 11.728 10.406 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB2 . . . . . . . . . c34215_6f7o 1 . 20 . 4585 . 1 1 8 LYS HB3 H 2.002 10.091 9.900 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB3 . . . . . . . . . c34215_6f7o 1 . 20 . 4586 . 1 1 8 LYS HD2 H 5.181 12.406 10.629 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD2 . . . . . . . . . c34215_6f7o 1 . 20 . 4587 . 1 1 8 LYS HD3 H 3.590 13.169 10.572 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD3 . . . . . . . . . c34215_6f7o 1 . 20 . 4588 . 1 1 8 LYS HE2 H 3.467 13.390 12.844 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE2 . . . . . . . . . c34215_6f7o 1 . 20 . 4589 . 1 1 8 LYS HE3 H 4.474 11.974 13.146 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE3 . . . . . . . . . c34215_6f7o 1 . 20 . 4590 . 1 1 8 LYS HG2 H 3.191 10.774 11.938 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG2 . . . . . . . . . c34215_6f7o 1 . 20 . 4591 . 1 1 8 LYS HG3 H 4.286 10.365 10.615 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG3 . . . . . . . . . c34215_6f7o 1 . 20 . 4592 . 1 1 8 LYS HZ1 H 5.337 14.696 12.373 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ1 . . . . . . . . . c34215_6f7o 1 . 20 . 4593 . 1 1 8 LYS HZ2 H 6.363 13.358 12.237 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ2 . . . . . . . . . c34215_6f7o 1 . 20 . 4594 . 1 1 8 LYS HZ3 H 5.765 13.815 13.753 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ3 . . . . . . . . . c34215_6f7o 1 . 20 . 4595 . 1 1 8 LYS N N 1.756 11.203 7.625 . . . 1.0 . . . . . . . . . . . . A . 8 LYS N . . . . . . . . . c34215_6f7o 1 . 20 . 4596 . 1 1 8 LYS NZ N 5.539 13.744 12.741 . . . 1.0 . . . . . . . . . . . . A . 8 LYS NZ . . . . . . . . . c34215_6f7o 1 . 20 . 4597 . 1 1 8 LYS O O 5.117 11.867 8.236 . . . 1.0 . . . . . . . . . . . . A . 8 LYS O . . . . . . . . . c34215_6f7o 1 . 20 . 4598 . 1 1 9 LEU C C 5.953 9.776 6.112 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . c34215_6f7o 1 . 20 . 4599 . 1 1 9 LEU CA C 5.490 9.233 7.460 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . c34215_6f7o 1 . 20 . 4600 . 1 1 9 LEU CB C 5.350 7.711 7.388 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . c34215_6f7o 1 . 20 . 4601 . 1 1 9 LEU CD1 C 5.189 5.600 8.729 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . c34215_6f7o 1 . 20 . 4602 . 1 1 9 LEU CD2 C 7.408 6.708 8.410 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . c34215_6f7o 1 . 20 . 4603 . 1 1 9 LEU CG C 5.913 6.929 8.577 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . c34215_6f7o 1 . 20 . 4604 . 1 1 9 LEU H H 3.412 9.286 7.857 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . c34215_6f7o 1 . 20 . 4605 . 1 1 9 LEU HA H 6.225 9.484 8.208 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . c34215_6f7o 1 . 20 . 4606 . 1 1 9 LEU HB2 H 4.299 7.478 7.305 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . c34215_6f7o 1 . 20 . 4607 . 1 1 9 LEU HB3 H 5.863 7.374 6.497 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . c34215_6f7o 1 . 20 . 4608 . 1 1 9 LEU HD11 H 4.379 5.546 8.018 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . c34215_6f7o 1 . 20 . 4609 . 1 1 9 LEU HD12 H 4.795 5.519 9.731 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . c34215_6f7o 1 . 20 . 4610 . 1 1 9 LEU HD13 H 5.882 4.790 8.549 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . c34215_6f7o 1 . 20 . 4611 . 1 1 9 LEU HD21 H 7.679 6.841 7.372 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . c34215_6f7o 1 . 20 . 4612 . 1 1 9 LEU HD22 H 7.661 5.703 8.722 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . c34215_6f7o 1 . 20 . 4613 . 1 1 9 LEU HD23 H 7.947 7.420 9.016 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . c34215_6f7o 1 . 20 . 4614 . 1 1 9 LEU HG H 5.756 7.500 9.480 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . c34215_6f7o 1 . 20 . 4615 . 1 1 9 LEU N N 4.223 9.837 7.856 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . c34215_6f7o 1 . 20 . 4616 . 1 1 9 LEU O O 7.159 9.869 5.885 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . c34215_6f7o 1 . 20 . 4617 . 1 1 10 . C C 5.960 12.000 4.056 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 C . . . . . . . . . c34215_6f7o 1 . 20 . 4618 . 1 1 10 . CA C 5.334 10.615 3.811 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 CA . . . . . . . . . c34215_6f7o 1 . 20 . 4619 . 1 1 10 . CB C 4.030 10.842 2.973 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 CB . . . . . . . . . c34215_6f7o 1 . 20 . 4620 . 1 1 10 . CB1 C 6.292 9.722 2.974 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 CB1 . . . . . . . . . c34215_6f7o 1 . 20 . 4621 . 1 1 10 . CD C 2.035 9.908 1.679 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 CD . . . . . . . . . c34215_6f7o 1 . 20 . 4622 . 1 1 10 . CE C 1.469 8.751 0.882 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 CE . . . . . . . . . c34215_6f7o 1 . 20 . 4623 . 1 1 10 . CG C 3.432 9.596 2.263 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 CG . . . . . . . . . c34215_6f7o 1 . 20 . 4624 . 1 1 10 . HB H 3.266 11.285 3.609 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HB . . . . . . . . . c34215_6f7o 1 . 20 . 4625 . 1 1 10 . HB1 H 7.268 9.632 3.438 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HB1 . . . . . . . . . c34215_6f7o 1 . 20 . 4626 . 1 1 10 . HB1A H 5.898 8.708 2.875 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HB1A . . . . . . . . . c34215_6f7o 1 . 20 . 4627 . 1 1 10 . HB1B H 6.438 10.137 1.975 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HB1B . . . . . . . . . c34215_6f7o 1 . 20 . 4628 . 1 1 10 . HBA H 4.239 11.584 2.198 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HBA . . . . . . . . . c34215_6f7o 1 . 20 . 4629 . 1 1 10 . HD H 1.364 10.197 2.482 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HD . . . . . . . . . c34215_6f7o 1 . 20 . 4630 . 1 1 10 . HDA H 2.115 10.778 1.020 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HDA . . . . . . . . . c34215_6f7o 1 . 20 . 4631 . 1 1 10 . HE H 1.922 8.610 -0.095 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HE . . . . . . . . . c34215_6f7o 1 . 20 . 4632 . 1 1 10 . HG H 4.087 9.288 1.442 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HG . . . . . . . . . c34215_6f7o 1 . 20 . 4633 . 1 1 10 . HGA H 3.361 8.750 2.947 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HGA . . . . . . . . . c34215_6f7o 1 . 20 . 4634 . 1 1 10 . HN H 4.077 9.795 5.338 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 HN . . . . . . . . . c34215_6f7o 1 . 20 . 4635 . 1 1 10 . N N 5.043 9.990 5.129 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 N . . . . . . . . . c34215_6f7o 1 . 20 . 4636 . 1 1 10 . O O 6.938 12.417 3.469 . . . 1.0 . . . . . . . . . . . . A . 10 MK8 O . . . . . . . . . c34215_6f7o 1 . 20 . 4637 . 1 1 11 GLN C C 7.179 13.944 6.157 . . . 1.0 . . . . . . . . . . . . A . 11 GLN C . . . . . . . . . c34215_6f7o 1 . 20 . 4638 . 1 1 11 GLN CA C 5.814 14.042 5.483 . . . 1.0 . . . . . . . . . . . . A . 11 GLN CA . . . . . . . . . c34215_6f7o 1 . 20 . 4639 . 1 1 11 GLN CB C 4.796 14.647 6.453 . . . 1.0 . . . . . . . . . . . . A . 11 GLN CB . . . . . . . . . c34215_6f7o 1 . 20 . 4640 . 1 1 11 GLN CD C 5.045 16.865 7.638 . . . 1.0 . . . . . . . . . . . . A . 11 GLN CD . . . . . . . . . c34215_6f7o 1 . 20 . 4641 . 1 1 11 GLN CG C 4.680 16.159 6.345 . . . 1.0 . . . . . . . . . . . . A . 11 GLN CG . . . . . . . . . c34215_6f7o 1 . 20 . 4642 . 1 1 11 GLN H H 4.514 12.374 5.363 . . . 1.0 . . . . . . . . . . . . A . 11 GLN H . . . . . . . . . c34215_6f7o 1 . 20 . 4643 . 1 1 11 GLN HA H 5.899 14.683 4.619 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HA . . . . . . . . . c34215_6f7o 1 . 20 . 4644 . 1 1 11 GLN HB2 H 3.827 14.218 6.251 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HB2 . . . . . . . . . c34215_6f7o 1 . 20 . 4645 . 1 1 11 GLN HB3 H 5.088 14.400 7.462 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HB3 . . . . . . . . . c34215_6f7o 1 . 20 . 4646 . 1 1 11 GLN HE21 H 6.687 17.605 6.797 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HE21 . . . . . . . . . c34215_6f7o 1 . 20 . 4647 . 1 1 11 GLN HE22 H 6.427 18.042 8.446 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HE22 . . . . . . . . . c34215_6f7o 1 . 20 . 4648 . 1 1 11 GLN HG2 H 5.342 16.505 5.566 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HG2 . . . . . . . . . c34215_6f7o 1 . 20 . 4649 . 1 1 11 GLN HG3 H 3.662 16.411 6.089 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HG3 . . . . . . . . . c34215_6f7o 1 . 20 . 4650 . 1 1 11 GLN N N 5.362 12.732 5.029 . . . 1.0 . . . . . . . . . . . . A . 11 GLN N . . . . . . . . . c34215_6f7o 1 . 20 . 4651 . 1 1 11 GLN NE2 N 6.167 17.576 7.628 . . . 1.0 . . . . . . . . . . . . A . 11 GLN NE2 . . . . . . . . . c34215_6f7o 1 . 20 . 4652 . 1 1 11 GLN O O 7.910 14.927 6.242 . . . 1.0 . . . . . . . . . . . . A . 11 GLN O . . . . . . . . . c34215_6f7o 1 . 20 . 4653 . 1 1 11 GLN OE1 O 4.328 16.771 8.633 . . . 1.0 . . . . . . . . . . . . A . 11 GLN OE1 . . . . . . . . . c34215_6f7o 1 . 20 . 4654 . 1 1 12 ALA C C 9.804 11.901 6.345 . . . 1.0 . . . . . . . . . . . . A . 12 ALA C . . . . . . . . . c34215_6f7o 1 . 20 . 4655 . 1 1 12 ALA CA C 8.789 12.522 7.299 . . . 1.0 . . . . . . . . . . . . A . 12 ALA CA . . . . . . . . . c34215_6f7o 1 . 20 . 4656 . 1 1 12 ALA CB C 8.598 11.633 8.520 . . . 1.0 . . . . . . . . . . . . A . 12 ALA CB . . . . . . . . . c34215_6f7o 1 . 20 . 4657 . 1 1 12 ALA H H 6.886 12.002 6.538 . . . 1.0 . . . . . . . . . . . . A . 12 ALA H . . . . . . . . . c34215_6f7o 1 . 20 . 4658 . 1 1 12 ALA HA H 9.164 13.477 7.638 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HA . . . . . . . . . c34215_6f7o 1 . 20 . 4659 . 1 1 12 ALA HB1 H 7.895 12.097 9.197 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB1 . . . . . . . . . c34215_6f7o 1 . 20 . 4660 . 1 1 12 ALA HB2 H 8.218 10.670 8.208 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB2 . . . . . . . . . c34215_6f7o 1 . 20 . 4661 . 1 1 12 ALA HB3 H 9.546 11.500 9.022 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB3 . . . . . . . . . c34215_6f7o 1 . 20 . 4662 . 1 1 12 ALA N N 7.513 12.749 6.636 . . . 1.0 . . . . . . . . . . . . A . 12 ALA N . . . . . . . . . c34215_6f7o 1 . 20 . 4663 . 1 1 12 ALA O O 10.572 11.022 6.727 . . . 1.0 . . . . . . . . . . . . A . 12 ALA O . . . . . . . . . c34215_6f7o 1 . 20 . 4664 . 1 1 13 ALA C C 11.309 13.000 3.264 . . . 1.0 . . . . . . . . . . . . A . 13 ALA C . . . . . . . . . c34215_6f7o 1 . 20 . 4665 . 1 1 13 ALA CA C 10.720 11.863 4.091 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CA . . . . . . . . . c34215_6f7o 1 . 20 . 4666 . 1 1 13 ALA CB C 10.012 10.861 3.188 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CB . . . . . . . . . c34215_6f7o 1 . 20 . 4667 . 1 1 13 ALA H H 9.163 13.073 4.856 . . . 1.0 . . . . . . . . . . . . A . 13 ALA H . . . . . . . . . c34215_6f7o 1 . 20 . 4668 . 1 1 13 ALA HA H 11.522 11.347 4.599 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HA . . . . . . . . . c34215_6f7o 1 . 20 . 4669 . 1 1 13 ALA HB1 H 10.732 10.151 2.807 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB1 . . . . . . . . . c34215_6f7o 1 . 20 . 4670 . 1 1 13 ALA HB2 H 9.255 10.339 3.752 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB2 . . . . . . . . . c34215_6f7o 1 . 20 . 4671 . 1 1 13 ALA HB3 H 9.551 11.384 2.365 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB3 . . . . . . . . . c34215_6f7o 1 . 20 . 4672 . 1 1 13 ALA N N 9.798 12.369 5.101 . . . 1.0 . . . . . . . . . . . . A . 13 ALA N . . . . . . . . . c34215_6f7o 1 . 20 . 4673 . 1 1 13 ALA O O 10.593 13.909 2.842 . . . 1.0 . . . . . . . . . . . . A . 13 ALA O . . . . . . . . . c34215_6f7o 1 . 20 . 4674 . 1 1 14 ARG C C 13.638 13.463 0.863 . . . 1.0 . . . . . . . . . . . . A . 14 ARG C . . . . . . . . . c34215_6f7o 1 . 20 . 4675 . 1 1 14 ARG CA C 13.302 13.972 2.262 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CA . . . . . . . . . c34215_6f7o 1 . 20 . 4676 . 1 1 14 ARG CB C 14.580 14.411 2.976 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CB . . . . . . . . . c34215_6f7o 1 . 20 . 4677 . 1 1 14 ARG CD C 15.672 15.151 5.114 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CD . . . . . . . . . c34215_6f7o 1 . 20 . 4678 . 1 1 14 ARG CG C 14.360 14.817 4.424 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CG . . . . . . . . . c34215_6f7o 1 . 20 . 4679 . 1 1 14 ARG CZ C 16.396 16.349 7.136 . . . 1.0 . . . . . . . . . . . . A . 14 ARG CZ . . . . . . . . . c34215_6f7o 1 . 20 . 4680 . 1 1 14 ARG H H 13.133 12.195 3.400 . . . 1.0 . . . . . . . . . . . . A . 14 ARG H . . . . . . . . . c34215_6f7o 1 . 20 . 4681 . 1 1 14 ARG HA H 12.639 14.818 2.174 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HA . . . . . . . . . c34215_6f7o 1 . 20 . 4682 . 1 1 14 ARG HB2 H 15.289 13.596 2.958 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB2 . . . . . . . . . c34215_6f7o 1 . 20 . 4683 . 1 1 14 ARG HB3 H 15.002 15.255 2.450 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HB3 . . . . . . . . . c34215_6f7o 1 . 20 . 4684 . 1 1 14 ARG HD2 H 16.265 14.250 5.190 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD2 . . . . . . . . . c34215_6f7o 1 . 20 . 4685 . 1 1 14 ARG HD3 H 16.201 15.879 4.521 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HD3 . . . . . . . . . c34215_6f7o 1 . 20 . 4686 . 1 1 14 ARG HE H 14.584 15.559 6.866 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HE . . . . . . . . . c34215_6f7o 1 . 20 . 4687 . 1 1 14 ARG HG2 H 13.720 15.686 4.454 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG2 . . . . . . . . . c34215_6f7o 1 . 20 . 4688 . 1 1 14 ARG HG3 H 13.886 13.999 4.948 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HG3 . . . . . . . . . c34215_6f7o 1 . 20 . 4689 . 1 1 14 ARG HH11 H 18.295 17.042 7.119 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH11 . . . . . . . . . c34215_6f7o 1 . 20 . 4690 . 1 1 14 ARG HH12 H 17.799 16.198 5.689 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH12 . . . . . . . . . c34215_6f7o 1 . 20 . 4691 . 1 1 14 ARG HH21 H 16.832 17.306 8.862 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH21 . . . . . . . . . c34215_6f7o 1 . 20 . 4692 . 1 1 14 ARG HH22 H 15.228 16.667 8.754 . . . 1.0 . . . . . . . . . . . . A . 14 ARG HH22 . . . . . . . . . c34215_6f7o 1 . 20 . 4693 . 1 1 14 ARG N N 12.616 12.943 3.038 . . . 1.0 . . . . . . . . . . . . A . 14 ARG N . . . . . . . . . c34215_6f7o 1 . 20 . 4694 . 1 1 14 ARG NE N 15.463 15.693 6.455 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NE . . . . . . . . . c34215_6f7o 1 . 20 . 4695 . 1 1 14 ARG NH1 N 17.596 16.545 6.604 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH1 . . . . . . . . . c34215_6f7o 1 . 20 . 4696 . 1 1 14 ARG NH2 N 16.130 16.812 8.352 . . . 1.0 . . . . . . . . . . . . A . 14 ARG NH2 . . . . . . . . . c34215_6f7o 1 . 20 . 4697 . 1 1 14 ARG O O 13.142 14.021 -0.116 . . . 1.0 . . . . . . . . . . . . A . 14 ARG O . . . . . . . . . c34215_6f7o 1 . 20 . 4698 . 1 1 15 NH2 HN1 H 14.827 12.025 1.638 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 HN1 . . . . . . . . . c34215_6f7o 1 . 20 . 4699 . 1 1 15 NH2 HN2 H 14.720 12.050 -0.091 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 HN2 . . . . . . . . . c34215_6f7o 1 . 20 . 4700 . 1 1 15 NH2 N N 14.462 12.428 0.798 . . . 1.0 . . . . . . . . . . . . A . 15 NH2 N . . . . . . . . . c34215_6f7o 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 c34215_6f7o _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 6f7o.mr . . 'MR format' 1 comment 'Not applicable' 'Not applicable' 0 c34215_6f7o 1 1 6f7o.mr . . DYANA/DIANA 2 distance NOE simple 209 c34215_6f7o 1 1 6f7o.mr . . DYANA/DIANA 3 'dihedral angle' 'Not applicable' 'Not applicable' 52 c34215_6f7o 1 1 6f7o.mr . . 'MR format' 4 'nomenclature mapping' 'Not applicable' 'Not applicable' 0 c34215_6f7o 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 c34215_6f7o _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 . . . . c34215_6f7o 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 PRO HB2 H . . . 1 1 3 3 PRO HA H . . . . . . . 3.17 . . . . . A . 3 PRO HB2 . . A . 3 PRO HA . . . 3 PRO HB2 . . . . . 3 PRO HA . . c34215_6f7o 1 2 1 . . 1 1 3 3 PRO HB2 H . . . 1 1 3 3 PRO HA H . . . . . . . 5.50 . . . . . A . 3 PRO HB2 . . A . 3 PRO HA . . . 3 PRO HB2 . . . . . 3 PRO HA . . c34215_6f7o 1 3 1 . . 1 1 2 2 ASP H H . . . 1 1 2 2 ASP HB2 H . . . . . . . 4.57 . . . . . A . 2 ASP H . . A . 2 ASP HB2 . . . 2 ASP H . . . . . 2 ASP HB2 . . c34215_6f7o 1 4 1 . . 1 1 2 2 ASP H H . . . 1 1 2 2 ASP HB3 H . . . . . . . 4.32 . . . . . A . 2 ASP H . . A . 2 ASP HB3 . . . 2 ASP H . . . . . 2 ASP HB3 . . c34215_6f7o 1 5 1 . . 1 1 2 2 ASP HB3 H . . . 1 1 2 2 ASP HA H . . . . . . . 3.33 . . . . . A . 2 ASP HB3 . . A . 2 ASP HA . . . 2 ASP HB3 . . . . . 2 ASP HA . . c34215_6f7o 1 6 1 OR . 1 1 4 4 GLN H H . . . 1 1 4 4 GLN HB2 H . . . . . . . 5.14 . . . . . A . 4 GLN H . . A . 4 GLN HB2 . . . 4 GLN H . . . . . 4 GLN QB . . c34215_6f7o 1 6 2 OR . 1 1 4 4 GLN H H . . . 1 1 4 4 GLN HB3 H . . . . . . . 5.14 . . . . . A . 4 GLN H . . A . 4 GLN HB3 . . . 4 GLN H . . . . . 4 GLN QB . . c34215_6f7o 1 7 1 OR . 1 1 4 4 GLN HA H . . . 1 1 4 4 GLN HB2 H . . . . . . . 4.92 . . . . . A . 4 GLN HA . . A . 4 GLN HB2 . . . 4 GLN HA . . . . . 4 GLN QB . . c34215_6f7o 1 7 2 OR . 1 1 4 4 GLN HB3 H . . . 1 1 4 4 GLN HA H . . . . . . . 4.92 . . . . . A . 4 GLN HB3 . . A . 4 GLN HA . . . 4 GLN QB . . . . . 4 GLN HA . . c34215_6f7o 1 8 1 OR . 1 1 4 4 GLN HA H . . . 1 1 4 4 GLN HB2 H . . . . . . . 5.05 . . . . . A . 4 GLN HA . . A . 4 GLN HB2 . . . 4 GLN HA . . . . . 4 GLN QB . . c34215_6f7o 1 8 2 OR . 1 1 4 4 GLN HB3 H . . . 1 1 4 4 GLN HA H . . . . . . . 5.05 . . . . . A . 4 GLN HB3 . . A . 4 GLN HA . . . 4 GLN QB . . . . . 4 GLN HA . . c34215_6f7o 1 9 1 . . 1 1 3 3 PRO HA H . . . 1 1 4 4 GLN H H . . . . . . . 4.11 . . . . . A . 3 PRO HA . . A . 4 GLN H . . . 3 PRO HA . . . . . 4 GLN H . . c34215_6f7o 1 10 1 OR . 1 1 5 5 HIS H H . . . 1 1 5 5 HIS HB2 H . . . . . . . 5.95 . . . . . A . 5 HIS H . . A . 5 HIS HB2 . . . 5 HIS H . . . . . 5 HIS QB . . c34215_6f7o 1 10 2 OR . 1 1 5 5 HIS H H . . . 1 1 5 5 HIS HB3 H . . . . . . . 5.95 . . . . . A . 5 HIS H . . A . 5 HIS HB3 . . . 5 HIS H . . . . . 5 HIS QB . . c34215_6f7o 1 11 1 OR . 1 1 5 5 HIS HA H . . . 1 1 5 5 HIS HB2 H . . . . . . . 4.12 . . . . . A . 5 HIS HA . . A . 5 HIS HB2 . . . 5 HIS HA . . . . . 5 HIS QB . . c34215_6f7o 1 11 2 OR . 1 1 5 5 HIS HB3 H . . . 1 1 5 5 HIS HA H . . . . . . . 4.12 . . . . . A . 5 HIS HB3 . . A . 5 HIS HA . . . 5 HIS QB . . . . . 5 HIS HA . . c34215_6f7o 1 12 1 . . 1 1 9 9 LEU HA H . . . 1 1 9 9 LEU HB3 H . . . . . . . 3.33 . . . . . A . 9 LEU HA . . A . 9 LEU HB3 . . . 9 LEU HA . . . . . 9 LEU HB3 . . c34215_6f7o 1 13 1 . . 1 1 9 9 LEU HA H . . . 1 1 9 9 LEU HB2 H . . . . . . . 3.61 . . . . . A . 9 LEU HA . . A . 9 LEU HB2 . . . 9 LEU HA . . . . . 9 LEU HB2 . . c34215_6f7o 1 14 1 . . 1 1 9 9 LEU HA H . . . 1 1 9 9 LEU HB3 H . . . . . . . 3.64 . . . . . A . 9 LEU HA . . A . 9 LEU HB3 . . . 9 LEU HA . . . . . 9 LEU HB3 . . c34215_6f7o 1 15 1 . . 1 1 9 9 LEU HA H . . . 1 1 9 9 LEU H H . . . . . . . 3.14 . . . . . A . 9 LEU HA . . A . 9 LEU H . . . 9 LEU HA . . . . . 9 LEU H . . c34215_6f7o 1 16 1 . . 1 1 9 9 LEU HB2 H . . . 1 1 9 9 LEU H H . . . . . . . 3.24 . . . . . A . 9 LEU HB2 . . A . 9 LEU H . . . 9 LEU HB2 . . . . . 9 LEU H . . c34215_6f7o 1 17 1 . . 1 1 9 9 LEU HB3 H . . . 1 1 9 9 LEU H H . . . . . . . 3.30 . . . . . A . 9 LEU HB3 . . A . 9 LEU H . . . 9 LEU HB3 . . . . . 9 LEU H . . c34215_6f7o 1 18 1 OR . 1 1 8 8 LYS H H . . . 1 1 8 8 LYS HB2 H . . . . . . . 3.68 . . . . . A . 8 LYS H . . A . 8 LYS HB2 . . . 8 LYS H . . . . . 8 LYS QB . . c34215_6f7o 1 18 2 OR . 1 1 8 8 LYS H H . . . 1 1 8 8 LYS HB3 H . . . . . . . 3.68 . . . . . A . 8 LYS H . . A . 8 LYS HB3 . . . 8 LYS H . . . . . 8 LYS QB . . c34215_6f7o 1 19 1 . . 1 1 9 9 LEU H H . . . 1 1 8 8 LYS HA H . . . . . . . 3.86 . . . . . A . 9 LEU H . . A . 8 LYS HA . . . 9 LEU H . . . . . 8 LYS HA . . c34215_6f7o 1 20 1 . . 1 1 7 7 ARG HA H . . . 1 1 7 7 ARG HB2 H . . . . . . . 3.17 . . . . . A . 7 ARG HA . . A . 7 ARG HB2 . . . 7 ARG HA . . . . . 7 ARG HB2 . . c34215_6f7o 1 21 1 . . 1 1 7 7 ARG HA H . . . 1 1 7 7 ARG HB2 H . . . . . . . 3.14 . . . . . A . 7 ARG HA . . A . 7 ARG HB2 . . . 7 ARG HA . . . . . 7 ARG HB2 . . c34215_6f7o 1 22 1 . . 1 1 7 7 ARG HA H . . . 1 1 7 7 ARG HB3 H . . . . . . . 3.42 . . . . . A . 7 ARG HA . . A . 7 ARG HB3 . . . 7 ARG HA . . . . . 7 ARG HB3 . . c34215_6f7o 1 23 1 . . 1 1 7 7 ARG HA H . . . 1 1 7 7 ARG H H . . . . . . . 3.11 . . . . . A . 7 ARG HA . . A . 7 ARG H . . . 7 ARG HA . . . . . 7 ARG H . . c34215_6f7o 1 24 1 . . 1 1 7 7 ARG HB2 H . . . 1 1 7 7 ARG H H . . . . . . . 3.36 . . . . . A . 7 ARG HB2 . . A . 7 ARG H . . . 7 ARG HB2 . . . . . 7 ARG H . . c34215_6f7o 1 25 1 . . 1 1 7 7 ARG HB3 H . . . 1 1 7 7 ARG H H . . . . . . . 3.21 . . . . . A . 7 ARG HB3 . . A . 7 ARG H . . . 7 ARG HB3 . . . . . 7 ARG H . . c34215_6f7o 1 26 1 . . 1 1 14 14 ARG H H . . . 1 1 14 14 ARG HA H . . . . . . . 3.52 . . . . . A . 14 ARG H . . A . 14 ARG HA . . . 14 ARG H . . . . . 14 ARG HA . . c34215_6f7o 1 27 1 . . 1 1 14 14 ARG HA H . . . 1 1 14 14 ARG HB2 H . . . . . . . 3.89 . . . . . A . 14 ARG HA . . A . 14 ARG HB2 . . . 14 ARG HA . . . . . 14 ARG HB2 . . c34215_6f7o 1 28 1 . . 1 1 14 14 ARG HA H . . . 1 1 14 14 ARG HB2 H . . . . . . . 3.64 . . . . . A . 14 ARG HA . . A . 14 ARG HB2 . . . 14 ARG HA . . . . . 14 ARG HB2 . . c34215_6f7o 1 29 1 . . 1 1 14 14 ARG HA H . . . 1 1 14 14 ARG HB3 H . . . . . . . 4.07 . . . . . A . 14 ARG HA . . A . 14 ARG HB3 . . . 14 ARG HA . . . . . 14 ARG HB3 . . c34215_6f7o 1 30 1 . . 1 1 13 13 ALA H H . . . 1 1 13 13 ALA HA H . . . . . . . 4.17 . . . . . A . 13 ALA H . . A . 13 ALA HA . . . 13 ALA H . . . . . 13 ALA HA . . c34215_6f7o 1 31 1 . . 1 1 12 12 ALA H H . . . 1 1 12 12 ALA HA H . . . . . . . 3.33 . . . . . A . 12 ALA H . . A . 12 ALA HA . . . 12 ALA H . . . . . 12 ALA HA . . c34215_6f7o 1 32 1 . . 1 1 11 11 GLN HA H . . . 1 1 11 11 GLN HB3 H . . . . . . . 3.36 . . . . . A . 11 GLN HA . . A . 11 GLN HB3 . . . 11 GLN HA . . . . . 11 GLN HB3 . . c34215_6f7o 1 33 1 . . 1 1 11 11 GLN HA H . . . 1 1 11 11 GLN HB2 H . . . . . . . 3.24 . . . . . A . 11 GLN HA . . A . 11 GLN HB2 . . . 11 GLN HA . . . . . 11 GLN HB2 . . c34215_6f7o 1 34 1 . . 1 1 11 11 GLN HA H . . . 1 1 11 11 GLN H H . . . . . . . 3.05 . . . . . A . 11 GLN HA . . A . 11 GLN H . . . 11 GLN HA . . . . . 11 GLN H . . c34215_6f7o 1 35 1 . . 1 1 11 11 GLN HB2 H . . . 1 1 11 11 GLN H H . . . . . . . 3.14 . . . . . A . 11 GLN HB2 . . A . 11 GLN H . . . 11 GLN HB2 . . . . . 11 GLN H . . c34215_6f7o 1 36 1 . . 1 1 11 11 GLN HB3 H . . . 1 1 11 11 GLN H H . . . . . . . 3.17 . . . . . A . 11 GLN HB3 . . A . 11 GLN H . . . 11 GLN HB3 . . . . . 11 GLN H . . c34215_6f7o 1 37 1 . . 1 1 12 12 ALA H H . . . 1 1 11 11 GLN HA H . . . . . . . 3.42 . . . . . A . 12 ALA H . . A . 11 GLN HA . . . 12 ALA H . . . . . 11 GLN HA . . c34215_6f7o 1 38 1 . . 1 1 13 13 ALA H H . . . 1 1 12 12 ALA HA H . . . . . . . 4.14 . . . . . A . 13 ALA H . . A . 12 ALA HA . . . 13 ALA H . . . . . 12 ALA HA . . c34215_6f7o 1 39 1 . . 1 1 7 7 ARG HA H . . . 1 1 11 11 GLN H H . . . . . . . 3.73 . . . . . A . 7 ARG HA . . A . 11 GLN H . . . 7 ARG HA . . . . . 11 GLN H . . c34215_6f7o 1 40 1 . . 1 1 8 8 LYS H H . . . 1 1 7 7 ARG HA H . . . . . . . 3.95 . . . . . A . 8 LYS H . . A . 7 ARG HA . . . 8 LYS H . . . . . 7 ARG HA . . c34215_6f7o 1 41 1 . . 1 1 5 5 HIS HA H . . . 1 1 8 8 LYS H H . . . . . . . 3.55 . . . . . A . 5 HIS HA . . A . 8 LYS H . . . 5 HIS HA . . . . . 8 LYS H . . c34215_6f7o 1 42 1 . . 1 1 4 4 GLN HA H . . . 1 1 7 7 ARG H H . . . . . . . 4.51 . . . . . A . 4 GLN HA . . A . 7 ARG H . . . 4 GLN HA . . . . . 7 ARG H . . c34215_6f7o 1 43 1 . . 1 1 5 5 HIS HA H . . . 1 1 7 7 ARG H H . . . . . . . 4.45 . . . . . A . 5 HIS HA . . A . 7 ARG H . . . 5 HIS HA . . . . . 7 ARG H . . c34215_6f7o 1 44 1 . . 1 1 3 3 PRO HA H . . . 1 1 7 7 ARG H H . . . . . . . 5.22 . . . . . A . 3 PRO HA . . A . 7 ARG H . . . 3 PRO HA . . . . . 7 ARG H . . c34215_6f7o 1 45 1 OR . 1 1 9 9 LEU H H . . . 1 1 8 8 LYS HB2 H . . . . . . . 4.36 . . . . . A . 9 LEU H . . A . 8 LYS HB2 . . . 9 LEU H . . . . . 8 LYS QB . . c34215_6f7o 1 45 2 OR . 1 1 9 9 LEU H H . . . 1 1 8 8 LYS HB3 H . . . . . . . 4.36 . . . . . A . 9 LEU H . . A . 8 LYS HB3 . . . 9 LEU H . . . . . 8 LYS QB . . c34215_6f7o 1 46 1 . . 1 1 8 8 LYS H H . . . 1 1 7 7 ARG H H . . . . . . . 3.58 . . . . . A . 8 LYS H . . A . 7 ARG H . . . 8 LYS H . . . . . 7 ARG H . . c34215_6f7o 1 47 1 . . 1 1 12 12 ALA H H . . . 1 1 11 11 GLN H H . . . . . . . 5.50 . . . . . A . 12 ALA H . . A . 11 GLN H . . . 12 ALA H . . . . . 11 GLN H . . c34215_6f7o 1 48 1 . . 1 1 9 9 LEU H H . . . 1 1 8 8 LYS H H . . . . . . . 3.48 . . . . . A . 9 LEU H . . A . 8 LYS H . . . 9 LEU H . . . . . 8 LYS H . . c34215_6f7o 1 49 1 . . 1 1 9 9 LEU H H . . . 1 1 8 8 LYS H H . . . . . . . 5.50 . . . . . A . 9 LEU H . . A . 8 LYS H . . . 9 LEU H . . . . . 8 LYS H . . c34215_6f7o 1 50 1 . . 1 1 8 8 LYS H H . . . 1 1 7 7 ARG H H . . . . . . . 3.05 . . . . . A . 8 LYS H . . A . 7 ARG H . . . 8 LYS H . . . . . 7 ARG H . . c34215_6f7o 1 51 1 . . 1 1 12 12 ALA H H . . . 1 1 11 11 GLN H H . . . . . . . 3.48 . . . . . A . 12 ALA H . . A . 11 GLN H . . . 12 ALA H . . . . . 11 GLN H . . c34215_6f7o 1 52 1 . . 1 1 12 12 ALA H H . . . 1 1 11 11 GLN HB3 H . . . . . . . 3.73 . . . . . A . 12 ALA H . . A . 11 GLN HB3 . . . 12 ALA H . . . . . 11 GLN HB3 . . c34215_6f7o 1 53 1 . . 1 1 12 12 ALA H H . . . 1 1 11 11 GLN HB2 H . . . . . . . 3.79 . . . . . A . 12 ALA H . . A . 11 GLN HB2 . . . 12 ALA H . . . . . 11 GLN HB2 . . c34215_6f7o 1 54 1 . . 1 1 4 4 GLN HA H . . . 1 1 7 7 ARG HB2 H . . . . . . . 3.83 . . . . . A . 4 GLN HA . . A . 7 ARG HB2 . . . 4 GLN HA . . . . . 7 ARG HB2 . . c34215_6f7o 1 55 1 . . 1 1 4 4 GLN HA H . . . 1 1 7 7 ARG HB3 H . . . . . . . 3.76 . . . . . A . 4 GLN HA . . A . 7 ARG HB3 . . . 4 GLN HA . . . . . 7 ARG HB3 . . c34215_6f7o 1 56 1 OR . 1 1 5 5 HIS HA H . . . 1 1 8 8 LYS HB2 H . . . . . . . 4.36 . . . . . A . 5 HIS HA . . A . 8 LYS HB2 . . . 5 HIS HA . . . . . 8 LYS QB . . c34215_6f7o 1 56 2 OR . 1 1 5 5 HIS HA H . . . 1 1 8 8 LYS HB3 H . . . . . . . 4.36 . . . . . A . 5 HIS HA . . A . 8 LYS HB3 . . . 5 HIS HA . . . . . 8 LYS QB . . c34215_6f7o 1 57 1 . . 1 1 9 9 LEU HA H . . . 1 1 12 12 ALA H H . . . . . . . 3.95 . . . . . A . 9 LEU HA . . A . 12 ALA H . . . 9 LEU HA . . . . . 12 ALA H . . c34215_6f7o 1 58 1 . . 1 1 8 8 LYS HA H . . . 1 1 11 11 GLN H H . . . . . . . 3.55 . . . . . A . 8 LYS HA . . A . 11 GLN H . . . 8 LYS HA . . . . . 11 GLN H . . c34215_6f7o 1 59 1 . . 1 1 8 8 LYS HA H . . . 1 1 11 11 GLN HB3 H . . . . . . . 3.33 . . . . . A . 8 LYS HA . . A . 11 GLN HB3 . . . 8 LYS HA . . . . . 11 GLN HB3 . . c34215_6f7o 1 60 1 . . 1 1 8 8 LYS HA H . . . 1 1 11 11 GLN HB2 H . . . . . . . 3.30 . . . . . A . 8 LYS HA . . A . 11 GLN HB2 . . . 8 LYS HA . . . . . 11 GLN HB2 . . c34215_6f7o 1 61 1 . . 1 1 9 9 LEU H H . . . 1 1 11 11 GLN H H . . . . . . . 4.29 . . . . . A . 9 LEU H . . A . 11 GLN H . . . 9 LEU H . . . . . 11 GLN H . . c34215_6f7o 1 62 1 . . 1 1 9 9 LEU H H . . . 1 1 7 7 ARG H H . . . . . . . 4.23 . . . . . A . 9 LEU H . . A . 7 ARG H . . . 9 LEU H . . . . . 7 ARG H . . c34215_6f7o 1 63 1 . . 1 1 3 3 PRO HB2 H . . . 1 1 3 3 PRO HB3 H . . . . . . . 3.36 . . . . . A . 3 PRO HB2 . . A . 3 PRO HB3 . . . 3 PRO HB2 . . . . . 3 PRO HB3 . . c34215_6f7o 1 64 1 . . 1 1 3 3 PRO HB2 H . . . 1 1 3 3 PRO HB3 H . . . . . . . 3.11 . . . . . A . 3 PRO HB2 . . A . 3 PRO HB3 . . . 3 PRO HB2 . . . . . 3 PRO HB3 . . c34215_6f7o 1 65 1 OR . 1 1 3 3 PRO HA H . . . 1 1 3 3 PRO HG2 H . . . . . . . 5.83 . . . . . A . 3 PRO HA . . A . 3 PRO HG2 . . . 3 PRO HA . . . . . 3 PRO QG . . c34215_6f7o 1 65 2 OR . 1 1 3 3 PRO HA H . . . 1 1 3 3 PRO HG3 H . . . . . . . 5.83 . . . . . A . 3 PRO HA . . A . 3 PRO HG3 . . . 3 PRO HA . . . . . 3 PRO QG . . c34215_6f7o 1 66 1 . . 1 1 4 4 GLN HA H . . . 1 1 4 4 GLN HG2 H . . . . . . . 5.50 . . . . . A . 4 GLN HA . . A . 4 GLN HG2 . . . 4 GLN HA . . . . . 4 GLN HG2 . . c34215_6f7o 1 67 1 OR . 1 1 4 4 GLN HG2 H . . . 1 1 4 4 GLN HB2 H . . . . . . . 4.98 . . . . . A . 4 GLN HG2 . . A . 4 GLN HB2 . . . 4 GLN HG2 . . . . . 4 GLN QB . . c34215_6f7o 1 67 2 OR . 1 1 4 4 GLN HB3 H . . . 1 1 4 4 GLN HG2 H . . . . . . . 4.98 . . . . . A . 4 GLN HB3 . . A . 4 GLN HG2 . . . 4 GLN QB . . . . . 4 GLN HG2 . . c34215_6f7o 1 68 1 OR . 1 1 4 4 GLN HG3 H . . . 1 1 4 4 GLN HB2 H . . . . . . . 4.18 . . . . . A . 4 GLN HG3 . . A . 4 GLN HB2 . . . 4 GLN HG3 . . . . . 4 GLN QB . . c34215_6f7o 1 68 2 OR . 1 1 4 4 GLN HB3 H . . . 1 1 4 4 GLN HG3 H . . . . . . . 4.18 . . . . . A . 4 GLN HB3 . . A . 4 GLN HG3 . . . 4 GLN QB . . . . . 4 GLN HG3 . . c34215_6f7o 1 69 1 OR . 1 1 4 4 GLN HG3 H . . . 1 1 4 4 GLN HB2 H . . . . . . . 3.84 . . . . . A . 4 GLN HG3 . . A . 4 GLN HB2 . . . 4 GLN HG3 . . . . . 4 GLN QB . . c34215_6f7o 1 69 2 OR . 1 1 4 4 GLN HB3 H . . . 1 1 4 4 GLN HG3 H . . . . . . . 3.84 . . . . . A . 4 GLN HB3 . . A . 4 GLN HG3 . . . 4 GLN QB . . . . . 4 GLN HG3 . . c34215_6f7o 1 70 1 OR . 1 1 4 4 GLN HG2 H . . . 1 1 4 4 GLN HB2 H . . . . . . . 4.21 . . . . . A . 4 GLN HG2 . . A . 4 GLN HB2 . . . 4 GLN HG2 . . . . . 4 GLN QB . . c34215_6f7o 1 70 2 OR . 1 1 4 4 GLN HB3 H . . . 1 1 4 4 GLN HG2 H . . . . . . . 4.21 . . . . . A . 4 GLN HB3 . . A . 4 GLN HG2 . . . 4 GLN QB . . . . . 4 GLN HG2 . . c34215_6f7o 1 71 1 . . 1 1 4 4 GLN HA H . . . 1 1 4 4 GLN HG3 H . . . . . . . 5.50 . . . . . A . 4 GLN HA . . A . 4 GLN HG3 . . . 4 GLN HA . . . . . 4 GLN HG3 . . c34215_6f7o 1 72 1 . . 1 1 4 4 GLN HA H . . . 1 1 4 4 GLN HG2 H . . . . . . . 5.50 . . . . . A . 4 GLN HA . . A . 4 GLN HG2 . . . 4 GLN HA . . . . . 4 GLN HG2 . . c34215_6f7o 1 73 1 . . 1 1 5 5 HIS HA H . . . 1 1 5 5 HIS HD1 H . . . . . . . 5.50 . . . . . A . 5 HIS HA . . A . 5 HIS HD1 . . . 5 HIS HA . . . . . 5 HIS HD1 . . c34215_6f7o 1 74 1 OR . 1 1 5 5 HIS HD1 H . . . 1 1 5 5 HIS HB2 H . . . . . . . 4.89 . . . . . A . 5 HIS HD1 . . A . 5 HIS HB2 . . . 5 HIS HD1 . . . . . 5 HIS QB . . c34215_6f7o 1 74 2 OR . 1 1 5 5 HIS HB3 H . . . 1 1 5 5 HIS HD1 H . . . . . . . 4.89 . . . . . A . 5 HIS HB3 . . A . 5 HIS HD1 . . . 5 HIS QB . . . . . 5 HIS HD1 . . c34215_6f7o 1 75 1 . . 1 1 9 9 LEU HA H . . . 1 1 9 9 LEU HG H . . . . . . . 4.01 . . . . . A . 9 LEU HA . . A . 9 LEU HG . . . 9 LEU HA . . . . . 9 LEU HG . . c34215_6f7o 1 76 1 . . 1 1 9 9 LEU H H . . . 1 1 9 9 LEU HG H . . . . . . . 3.58 . . . . . A . 9 LEU H . . A . 9 LEU HG . . . 9 LEU H . . . . . 9 LEU HG . . c34215_6f7o 1 77 1 . . 1 1 8 8 LYS HA H . . . 1 1 8 8 LYS HG2 H . . . . . . . 5.34 . . . . . A . 8 LYS HA . . A . 8 LYS HG2 . . . 8 LYS HA . . . . . 8 LYS HG2 . . c34215_6f7o 1 78 1 . . 1 1 8 8 LYS HA H . . . 1 1 8 8 LYS HG3 H . . . . . . . 5.19 . . . . . A . 8 LYS HA . . A . 8 LYS HG3 . . . 8 LYS HA . . . . . 8 LYS HG3 . . c34215_6f7o 1 79 1 OR . 1 1 8 8 LYS HG2 H . . . 1 1 8 8 LYS HB2 H . . . . . . . 4.86 . . . . . A . 8 LYS HG2 . . A . 8 LYS HB2 . . . 8 LYS HG2 . . . . . 8 LYS QB . . c34215_6f7o 1 79 2 OR . 1 1 8 8 LYS HB3 H . . . 1 1 8 8 LYS HG2 H . . . . . . . 4.86 . . . . . A . 8 LYS HB3 . . A . 8 LYS HG2 . . . 8 LYS QB . . . . . 8 LYS HG2 . . c34215_6f7o 1 80 1 OR . 1 1 8 8 LYS HG2 H . . . 1 1 8 8 LYS HD2 H . . . . . . . 3.56 . . . . . A . 8 LYS HG2 . . A . 8 LYS HD2 . . . 8 LYS HG2 . . . . . 8 LYS QD . . c34215_6f7o 1 80 2 OR . 1 1 8 8 LYS HG2 H . . . 1 1 8 8 LYS HD3 H . . . . . . . 3.56 . . . . . A . 8 LYS HG2 . . A . 8 LYS HD3 . . . 8 LYS HG2 . . . . . 8 LYS QD . . c34215_6f7o 1 81 1 OR . 1 1 8 8 LYS HB3 H . . . 1 1 8 8 LYS HD2 H . . . . . . . 7.26 . . . . . A . 8 LYS HB3 . . A . 8 LYS HD2 . . . 8 LYS QB . . . . . 8 LYS QD . . c34215_6f7o 1 81 2 OR . 1 1 8 8 LYS HB2 H . . . 1 1 8 8 LYS HD2 H . . . . . . . 7.26 . . . . . A . 8 LYS HB2 . . A . 8 LYS HD2 . . . 8 LYS QB . . . . . 8 LYS QD . . c34215_6f7o 1 81 3 OR . 1 1 8 8 LYS HD3 H . . . 1 1 8 8 LYS HB2 H . . . . . . . 7.26 . . . . . A . 8 LYS HD3 . . A . 8 LYS HB2 . . . 8 LYS QD . . . . . 8 LYS QB . . c34215_6f7o 1 81 4 OR . 1 1 8 8 LYS HB3 H . . . 1 1 8 8 LYS HD3 H . . . . . . . 7.26 . . . . . A . 8 LYS HB3 . . A . 8 LYS HD3 . . . 8 LYS QB . . . . . 8 LYS QD . . c34215_6f7o 1 82 1 OR . 1 1 8 8 LYS HD2 H . . . 1 1 8 8 LYS HE2 H . . . . . . . 7.26 . . . . . A . 8 LYS HD2 . . A . 8 LYS HE2 . . . 8 LYS QD . . . . . 8 LYS QE . . c34215_6f7o 1 82 2 OR . 1 1 8 8 LYS HD3 H . . . 1 1 8 8 LYS HE2 H . . . . . . . 7.26 . . . . . A . 8 LYS HD3 . . A . 8 LYS HE2 . . . 8 LYS QD . . . . . 8 LYS QE . . c34215_6f7o 1 82 3 OR . 1 1 8 8 LYS HE3 H . . . 1 1 8 8 LYS HD2 H . . . . . . . 7.26 . . . . . A . 8 LYS HE3 . . A . 8 LYS HD2 . . . 8 LYS QE . . . . . 8 LYS QD . . c34215_6f7o 1 82 4 OR . 1 1 8 8 LYS HD3 H . . . 1 1 8 8 LYS HE3 H . . . . . . . 7.26 . . . . . A . 8 LYS HD3 . . A . 8 LYS HE3 . . . 8 LYS QD . . . . . 8 LYS QE . . c34215_6f7o 1 83 1 OR . 1 1 7 7 ARG HA H . . . 1 1 7 7 ARG HG2 H . . . . . . . 6.38 . . . . . A . 7 ARG HA . . A . 7 ARG HG2 . . . 7 ARG HA . . . . . 7 ARG QG . . c34215_6f7o 1 83 2 OR . 1 1 7 7 ARG HA H . . . 1 1 7 7 ARG HG3 H . . . . . . . 6.38 . . . . . A . 7 ARG HA . . A . 7 ARG HG3 . . . 7 ARG HA . . . . . 7 ARG QG . . c34215_6f7o 1 84 1 OR . 1 1 7 7 ARG HB3 H . . . 1 1 7 7 ARG HD2 H . . . . . . . 6.13 . . . . . A . 7 ARG HB3 . . A . 7 ARG HD2 . . . 7 ARG HB3 . . . . . 7 ARG QD . . c34215_6f7o 1 84 2 OR . 1 1 7 7 ARG HB3 H . . . 1 1 7 7 ARG HD3 H . . . . . . . 6.13 . . . . . A . 7 ARG HB3 . . A . 7 ARG HD3 . . . 7 ARG HB3 . . . . . 7 ARG QD . . c34215_6f7o 1 85 1 OR . 1 1 7 7 ARG HB2 H . . . 1 1 7 7 ARG HD2 H . . . . . . . 6.38 . . . . . A . 7 ARG HB2 . . A . 7 ARG HD2 . . . 7 ARG HB2 . . . . . 7 ARG QD . . c34215_6f7o 1 85 2 OR . 1 1 7 7 ARG HB2 H . . . 1 1 7 7 ARG HD3 H . . . . . . . 6.38 . . . . . A . 7 ARG HB2 . . A . 7 ARG HD3 . . . 7 ARG HB2 . . . . . 7 ARG QD . . c34215_6f7o 1 86 1 OR . 1 1 7 7 ARG HB3 H . . . 1 1 7 7 ARG HD2 H . . . . . . . 6.38 . . . . . A . 7 ARG HB3 . . A . 7 ARG HD2 . . . 7 ARG HB3 . . . . . 7 ARG QD . . c34215_6f7o 1 86 2 OR . 1 1 7 7 ARG HB3 H . . . 1 1 7 7 ARG HD3 H . . . . . . . 6.38 . . . . . A . 7 ARG HB3 . . A . 7 ARG HD3 . . . 7 ARG HB3 . . . . . 7 ARG QD . . c34215_6f7o 1 87 1 OR . 1 1 7 7 ARG HB3 H . . . 1 1 7 7 ARG HG2 H . . . . . . . 4.06 . . . . . A . 7 ARG HB3 . . A . 7 ARG HG2 . . . 7 ARG HB3 . . . . . 7 ARG QG . . c34215_6f7o 1 87 2 OR . 1 1 7 7 ARG HB3 H . . . 1 1 7 7 ARG HG3 H . . . . . . . 4.06 . . . . . A . 7 ARG HB3 . . A . 7 ARG HG3 . . . 7 ARG HB3 . . . . . 7 ARG QG . . c34215_6f7o 1 88 1 OR . 1 1 7 7 ARG HB2 H . . . 1 1 7 7 ARG HG2 H . . . . . . . 4.49 . . . . . A . 7 ARG HB2 . . A . 7 ARG HG2 . . . 7 ARG HB2 . . . . . 7 ARG QG . . c34215_6f7o 1 88 2 OR . 1 1 7 7 ARG HB2 H . . . 1 1 7 7 ARG HG3 H . . . . . . . 4.49 . . . . . A . 7 ARG HB2 . . A . 7 ARG HG3 . . . 7 ARG HB2 . . . . . 7 ARG QG . . c34215_6f7o 1 89 1 OR . 1 1 7 7 ARG HA H . . . 1 1 7 7 ARG HG2 H . . . . . . . 6.32 . . . . . A . 7 ARG HA . . A . 7 ARG HG2 . . . 7 ARG HA . . . . . 7 ARG QG . . c34215_6f7o 1 89 2 OR . 1 1 7 7 ARG HA H . . . 1 1 7 7 ARG HG3 H . . . . . . . 6.32 . . . . . A . 7 ARG HA . . A . 7 ARG HG3 . . . 7 ARG HA . . . . . 7 ARG QG . . c34215_6f7o 1 90 1 OR . 1 1 14 14 ARG HB2 H . . . 1 1 14 14 ARG HD2 H . . . . . . . 6.38 . . . . . A . 14 ARG HB2 . . A . 14 ARG HD2 . . . 14 ARG HB2 . . . . . 14 ARG QD . . c34215_6f7o 1 90 2 OR . 1 1 14 14 ARG HB2 H . . . 1 1 14 14 ARG HD3 H . . . . . . . 6.38 . . . . . A . 14 ARG HB2 . . A . 14 ARG HD3 . . . 14 ARG HB2 . . . . . 14 ARG QD . . c34215_6f7o 1 91 1 . . 1 1 14 14 ARG HB3 H . . . 1 1 14 14 ARG HG3 H . . . . . . . 3.30 . . . . . A . 14 ARG HB3 . . A . 14 ARG HG3 . . . 14 ARG HB3 . . . . . 14 ARG HG3 . . c34215_6f7o 1 92 1 . . 1 1 14 14 ARG HB2 H . . . 1 1 14 14 ARG HG2 H . . . . . . . 3.30 . . . . . A . 14 ARG HB2 . . A . 14 ARG HG2 . . . 14 ARG HB2 . . . . . 14 ARG HG2 . . c34215_6f7o 1 93 1 . . 1 1 14 14 ARG HA H . . . 1 1 14 14 ARG HG3 H . . . . . . . 5.50 . . . . . A . 14 ARG HA . . A . 14 ARG HG3 . . . 14 ARG HA . . . . . 14 ARG HG3 . . c34215_6f7o 1 94 1 . . 1 1 11 11 GLN HA H . . . 1 1 11 11 GLN HG2 H . . . . . . . 5.50 . . . . . A . 11 GLN HA . . A . 11 GLN HG2 . . . 11 GLN HA . . . . . 11 GLN HG2 . . c34215_6f7o 1 95 1 . . 1 1 11 11 GLN HA H . . . 1 1 11 11 GLN HG3 H . . . . . . . 5.50 . . . . . A . 11 GLN HA . . A . 11 GLN HG3 . . . 11 GLN HA . . . . . 11 GLN HG3 . . c34215_6f7o 1 96 1 . . 1 1 11 11 GLN HG2 H . . . 1 1 11 11 GLN HG3 H . . . . . . . 5.50 . . . . . A . 11 GLN HG2 . . A . 11 GLN HG3 . . . 11 GLN HG2 . . . . . 11 GLN HG3 . . c34215_6f7o 1 97 1 . . 1 1 11 11 GLN HG2 H . . . 1 1 11 11 GLN HG3 H . . . . . . . 5.50 . . . . . A . 11 GLN HG2 . . A . 11 GLN HG3 . . . 11 GLN HG2 . . . . . 11 GLN HG3 . . c34215_6f7o 1 98 1 . . 1 1 11 11 GLN HB2 H . . . 1 1 11 11 GLN HG3 H . . . . . . . 3.52 . . . . . A . 11 GLN HB2 . . A . 11 GLN HG3 . . . 11 GLN HB2 . . . . . 11 GLN HG3 . . c34215_6f7o 1 99 1 . . 1 1 11 11 GLN HB2 H . . . 1 1 11 11 GLN HG2 H . . . . . . . 5.50 . . . . . A . 11 GLN HB2 . . A . 11 GLN HG2 . . . 11 GLN HB2 . . . . . 11 GLN HG2 . . c34215_6f7o 1 100 1 . . 1 1 11 11 GLN HA H . . . 1 1 11 11 GLN HG3 H . . . . . . . 5.50 . . . . . A . 11 GLN HA . . A . 11 GLN HG3 . . . 11 GLN HA . . . . . 11 GLN HG3 . . c34215_6f7o 1 101 1 . . 1 1 11 11 GLN HA H . . . 1 1 11 11 GLN HG2 H . . . . . . . 5.50 . . . . . A . 11 GLN HA . . A . 11 GLN HG2 . . . 11 GLN HA . . . . . 11 GLN HG2 . . c34215_6f7o 1 102 1 . . 1 1 11 11 GLN H H . . . 1 1 11 11 GLN HG3 H . . . . . . . 5.38 . . . . . A . 11 GLN H . . A . 11 GLN HG3 . . . 11 GLN H . . . . . 11 GLN HG3 . . c34215_6f7o 1 103 1 . . 1 1 11 11 GLN H H . . . 1 1 11 11 GLN HG2 H . . . . . . . 4.38 . . . . . A . 11 GLN H . . A . 11 GLN HG2 . . . 11 GLN H . . . . . 11 GLN HG2 . . c34215_6f7o 1 104 1 OR . 1 1 2 2 ASP HB3 H . . . 1 1 5 5 HIS HB2 H . . . . . . . 6.38 . . . . . A . 2 ASP HB3 . . A . 5 HIS HB2 . . . 2 ASP HB3 . . . . . 5 HIS QB . . c34215_6f7o 1 104 2 OR . 1 1 2 2 ASP HB3 H . . . 1 1 5 5 HIS HB3 H . . . . . . . 6.38 . . . . . A . 2 ASP HB3 . . A . 5 HIS HB3 . . . 2 ASP HB3 . . . . . 5 HIS QB . . c34215_6f7o 1 105 1 OR . 1 1 2 2 ASP HB2 H . . . 1 1 5 5 HIS HB2 H . . . . . . . 6.38 . . . . . A . 2 ASP HB2 . . A . 5 HIS HB2 . . . 2 ASP HB2 . . . . . 5 HIS QB . . c34215_6f7o 1 105 2 OR . 1 1 2 2 ASP HB2 H . . . 1 1 5 5 HIS HB3 H . . . . . . . 6.38 . . . . . A . 2 ASP HB2 . . A . 5 HIS HB3 . . . 2 ASP HB2 . . . . . 5 HIS QB . . c34215_6f7o 1 106 1 . . 1 1 8 8 LYS H H . . . 1 1 8 8 LYS HG2 H . . . . . . . 4.76 . . . . . A . 8 LYS H . . A . 8 LYS HG2 . . . 8 LYS H . . . . . 8 LYS HG2 . . c34215_6f7o 1 107 1 . . 1 1 8 8 LYS H H . . . 1 1 8 8 LYS HG3 H . . . . . . . 5.07 . . . . . A . 8 LYS H . . A . 8 LYS HG3 . . . 8 LYS H . . . . . 8 LYS HG3 . . c34215_6f7o 1 108 1 OR . 1 1 8 8 LYS H H . . . 1 1 7 7 ARG HG2 H . . . . . . . 6.38 . . . . . A . 8 LYS H . . A . 7 ARG HG2 . . . 8 LYS H . . . . . 7 ARG QG . . c34215_6f7o 1 108 2 OR . 1 1 8 8 LYS H H . . . 1 1 7 7 ARG HG3 H . . . . . . . 6.38 . . . . . A . 8 LYS H . . A . 7 ARG HG3 . . . 8 LYS H . . . . . 7 ARG QG . . c34215_6f7o 1 109 1 . . 1 1 2 2 ASP HB2 H . . . 1 1 3 3 PRO HD3 H . . . . . . . 5.50 . . . . . A . 2 ASP HB2 . . A . 3 PRO HD3 . . . 2 ASP HB2 . . . . . 3 PRO HD3 . . c34215_6f7o 1 110 1 . . 1 1 2 2 ASP HB3 H . . . 1 1 3 3 PRO HD3 H . . . . . . . 5.50 . . . . . A . 2 ASP HB3 . . A . 3 PRO HD3 . . . 2 ASP HB3 . . . . . 3 PRO HD3 . . c34215_6f7o 1 111 1 OR . 1 1 8 8 LYS HG3 H . . . 1 1 5 5 HIS HB2 H . . . . . . . 6.38 . . . . . A . 8 LYS HG3 . . A . 5 HIS HB2 . . . 8 LYS HG3 . . . . . 5 HIS QB . . c34215_6f7o 1 111 2 OR . 1 1 5 5 HIS HB3 H . . . 1 1 8 8 LYS HG3 H . . . . . . . 6.38 . . . . . A . 5 HIS HB3 . . A . 8 LYS HG3 . . . 5 HIS QB . . . . . 8 LYS HG3 . . c34215_6f7o 1 112 1 . . 1 1 9 9 LEU HB3 H . . . 1 1 9 9 LEU HB2 H . . . . . . . 5.50 . . . . . A . 9 LEU HB3 . . A . 9 LEU HB2 . . . 9 LEU HB3 . . . . . 9 LEU HB2 . . c34215_6f7o 1 113 1 . . 1 1 9 9 LEU HB3 H . . . 1 1 9 9 LEU MD1 H . . . . . . . 4.81 . . . . . A . 9 LEU HB3 . . A . 9 LEU MD1 . . . 9 LEU HB3 . . . . . 9 LEU QD1 . . c34215_6f7o 1 114 1 . . 1 1 9 9 LEU HB2 H . . . 1 1 9 9 LEU MD1 H . . . . . . . 5.19 . . . . . A . 9 LEU HB2 . . A . 9 LEU MD1 . . . 9 LEU HB2 . . . . . 9 LEU QD1 . . c34215_6f7o 1 115 1 . . 1 1 9 9 LEU HB3 H . . . 1 1 9 9 LEU MD2 H . . . . . . . 5.15 . . . . . A . 9 LEU HB3 . . A . 9 LEU MD2 . . . 9 LEU HB3 . . . . . 9 LEU QD2 . . c34215_6f7o 1 116 1 . . 1 1 9 9 LEU HB2 H . . . 1 1 9 9 LEU MD2 H . . . . . . . 6.52 . . . . . A . 9 LEU HB2 . . A . 9 LEU MD2 . . . 9 LEU HB2 . . . . . 9 LEU QD2 . . c34215_6f7o 1 117 1 . . 1 1 9 9 LEU HA H . . . 1 1 9 9 LEU MD2 H . . . . . . . 4.97 . . . . . A . 9 LEU HA . . A . 9 LEU MD2 . . . 9 LEU HA . . . . . 9 LEU QD2 . . c34215_6f7o 1 118 1 . . 1 1 13 13 ALA HA H . . . 1 1 13 13 ALA MB H . . . . . . . 5.03 . . . . . A . 13 ALA HA . . A . 13 ALA MB . . . 13 ALA HA . . . . . 13 ALA QB . . c34215_6f7o 1 119 1 . . 1 1 13 13 ALA H H . . . 1 1 13 13 ALA MB H . . . . . . . 4.32 . . . . . A . 13 ALA H . . A . 13 ALA MB . . . 13 ALA H . . . . . 13 ALA QB . . c34215_6f7o 1 120 1 . . 1 1 12 12 ALA H H . . . 1 1 12 12 ALA MB H . . . . . . . 3.95 . . . . . A . 12 ALA H . . A . 12 ALA MB . . . 12 ALA H . . . . . 12 ALA QB . . c34215_6f7o 1 121 1 . . 1 1 12 12 ALA HA H . . . 1 1 12 12 ALA MB H . . . . . . . 4.53 . . . . . A . 12 ALA HA . . A . 12 ALA MB . . . 12 ALA HA . . . . . 12 ALA QB . . c34215_6f7o 1 122 1 . . 1 1 9 9 LEU HA H . . . 1 1 12 12 ALA MB H . . . . . . . 4.26 . . . . . A . 9 LEU HA . . A . 12 ALA MB . . . 9 LEU HA . . . . . 12 ALA QB . . c34215_6f7o 1 123 1 . . 1 1 9 9 LEU H H . . . 1 1 9 9 LEU MD2 H . . . . . . . 6.52 . . . . . A . 9 LEU H . . A . 9 LEU MD2 . . . 9 LEU H . . . . . 9 LEU QD2 . . c34215_6f7o 1 124 1 . . 1 1 9 9 LEU HA H . . . 1 1 9 9 LEU MD2 H . . . . . . . 4.57 . . . . . A . 9 LEU HA . . A . 9 LEU MD2 . . . 9 LEU HA . . . . . 9 LEU QD2 . . c34215_6f7o 1 125 1 . . 1 1 9 9 LEU MD2 H . . . 1 1 5 5 HIS HE1 H . . . . . . . 6.08 . . . . . A . 9 LEU MD2 . . A . 5 HIS HE1 . . . 9 LEU QD2 . . . . . 5 HIS HE1 . . c34215_6f7o 1 126 1 . . 1 1 9 9 LEU MD1 H . . . 1 1 5 5 HIS HE1 H . . . . . . . 6.52 . . . . . A . 9 LEU MD1 . . A . 5 HIS HE1 . . . 9 LEU QD1 . . . . . 5 HIS HE1 . . c34215_6f7o 1 127 1 . . 1 1 5 5 HIS HD1 H . . . 1 1 9 9 LEU MD1 H . . . . . . . 6.52 . . . . . A . 5 HIS HD1 . . A . 9 LEU MD1 . . . 5 HIS HD1 . . . . . 9 LEU QD1 . . c34215_6f7o 1 128 1 . . 1 1 5 5 HIS HD1 H . . . 1 1 9 9 LEU MD2 H . . . . . . . 6.52 . . . . . A . 5 HIS HD1 . . A . 9 LEU MD2 . . . 5 HIS HD1 . . . . . 9 LEU QD2 . . c34215_6f7o 1 129 1 . . 1 1 9 9 LEU H H . . . 1 1 9 9 LEU MD1 H . . . . . . . 6.52 . . . . . A . 9 LEU H . . A . 9 LEU MD1 . . . 9 LEU H . . . . . 9 LEU QD1 . . c34215_6f7o 1 130 1 . . 1 1 8 8 LYS HG3 H . . . 1 1 9 9 LEU MD1 H . . . . . . . 5.43 . . . . . A . 8 LYS HG3 . . A . 9 LEU MD1 . . . 8 LYS HG3 . . . . . 9 LEU QD1 . . c34215_6f7o 1 131 1 . . 1 1 8 8 LYS HG3 H . . . 1 1 9 9 LEU MD2 H . . . . . . . 5.53 . . . . . A . 8 LYS HG3 . . A . 9 LEU MD2 . . . 8 LYS HG3 . . . . . 9 LEU QD2 . . c34215_6f7o 1 stop_ loop_ _Gen_dist_constraint_comment_org.ID _Gen_dist_constraint_comment_org.Comment_text _Gen_dist_constraint_comment_org.Comment_begin_line _Gen_dist_constraint_comment_org.Comment_begin_column _Gen_dist_constraint_comment_org.Comment_end_line _Gen_dist_constraint_comment_org.Comment_end_column _Gen_dist_constraint_comment_org.Entry_ID _Gen_dist_constraint_comment_org.Gen_dist_constraint_list_ID 1 'Restraints file 1: A5ST.upl' 1 1 1 29 c34215_6f7o 1 2 'peak 5' 2 49 2 59 c34215_6f7o 1 3 'peak 20' 3 49 3 59 c34215_6f7o 1 4 'peak 34' 4 49 4 59 c34215_6f7o 1 5 'peak 35' 5 49 5 59 c34215_6f7o 1 6 'peak 39' 6 49 6 59 c34215_6f7o 1 7 'peak 48' 7 49 7 59 c34215_6f7o 1 8 'peak 51' 8 49 8 59 c34215_6f7o 1 9 'peak 56' 9 49 9 59 c34215_6f7o 1 10 'peak 59' 10 49 10 59 c34215_6f7o 1 11 'peak 64' 11 49 11 59 c34215_6f7o 1 12 'peak 66' 12 49 12 59 c34215_6f7o 1 13 'peak 93' 13 49 13 59 c34215_6f7o 1 14 'peak 97' 14 49 14 59 c34215_6f7o 1 15 'peak 98' 15 49 15 59 c34215_6f7o 1 16 'peak 102' 16 49 16 59 c34215_6f7o 1 17 'peak 103' 17 49 17 59 c34215_6f7o 1 18 'peak 104' 18 49 18 59 c34215_6f7o 1 19 'peak 150' 19 49 19 59 c34215_6f7o 1 20 'peak 151' 20 49 20 59 c34215_6f7o 1 21 'peak 159' 21 49 21 59 c34215_6f7o 1 22 'peak 168' 22 49 22 59 c34215_6f7o 1 23 'peak 171' 23 49 23 59 c34215_6f7o 1 24 'peak 177' 24 49 24 59 c34215_6f7o 1 25 'peak 178' 25 49 25 59 c34215_6f7o 1 26 'peak 179' 26 49 26 59 c34215_6f7o 1 27 'peak 180' 27 49 27 59 c34215_6f7o 1 28 'peak 193' 28 49 28 59 c34215_6f7o 1 29 'peak 206' 29 49 29 59 c34215_6f7o 1 30 'peak 208' 30 49 30 59 c34215_6f7o 1 31 'peak 225' 31 49 31 59 c34215_6f7o 1 32 'peak 230' 32 49 32 59 c34215_6f7o 1 33 'peak 256' 33 49 33 59 c34215_6f7o 1 34 'peak 257' 34 49 34 59 c34215_6f7o 1 35 'peak 260' 35 49 35 59 c34215_6f7o 1 36 'peak 261' 36 49 36 59 c34215_6f7o 1 37 'peak 262' 37 49 37 59 c34215_6f7o 1 38 'peak 263' 38 49 38 59 c34215_6f7o 1 39 'peak 264' 39 49 39 59 c34215_6f7o 1 40 'peak 266' 40 49 40 59 c34215_6f7o 1 41 'peak 267' 41 49 41 59 c34215_6f7o 1 42 'peak 268' 42 49 42 59 c34215_6f7o 1 43 'peak 269' 43 49 43 59 c34215_6f7o 1 44 'peak 270' 44 49 44 59 c34215_6f7o 1 45 'peak 271' 45 49 45 59 c34215_6f7o 1 46 'peak 273' 46 49 46 59 c34215_6f7o 1 47 'peak 274' 47 49 47 59 c34215_6f7o 1 48 'peak 276' 48 49 48 59 c34215_6f7o 1 49 'peak 277' 49 49 49 59 c34215_6f7o 1 50 'peak 278' 50 49 50 59 c34215_6f7o 1 51 'peak 279' 51 49 51 59 c34215_6f7o 1 52 'peak 280' 52 49 52 59 c34215_6f7o 1 53 'peak 282' 53 49 53 59 c34215_6f7o 1 54 'peak 285' 54 49 54 59 c34215_6f7o 1 55 'peak 286' 55 49 55 59 c34215_6f7o 1 56 'peak 287' 56 49 56 59 c34215_6f7o 1 57 'peak 288' 57 49 57 59 c34215_6f7o 1 58 'peak 289' 58 49 58 59 c34215_6f7o 1 59 'peak 290' 59 49 59 59 c34215_6f7o 1 60 'peak 291' 60 49 60 59 c34215_6f7o 1 61 'peak 292' 61 49 61 59 c34215_6f7o 1 62 'peak 293' 62 49 62 59 c34215_6f7o 1 63 'peak 294' 63 49 63 59 c34215_6f7o 1 64 'peak 295' 64 49 64 59 c34215_6f7o 1 65 'peak 296' 65 49 65 59 c34215_6f7o 1 66 'peak 297' 66 49 66 59 c34215_6f7o 1 67 'peak 298' 67 49 67 59 c34215_6f7o 1 68 'peak 299' 68 49 68 59 c34215_6f7o 1 69 'peak 314' 69 49 69 59 c34215_6f7o 1 70 'peak 315' 70 49 70 59 c34215_6f7o 1 71 'peak 319' 71 49 71 59 c34215_6f7o 1 72 'peak 320' 72 49 72 59 c34215_6f7o 1 73 'peak 372' 73 49 73 59 c34215_6f7o 1 74 'peak 373' 74 49 74 59 c34215_6f7o 1 75 'peak 374' 75 49 75 59 c34215_6f7o 1 76 'peak 384' 76 49 76 59 c34215_6f7o 1 77 'peak 395' 77 49 77 59 c34215_6f7o 1 78 'peak 396' 78 49 78 59 c34215_6f7o 1 79 'peak 398' 79 49 79 59 c34215_6f7o 1 80 'peak 400' 80 49 80 59 c34215_6f7o 1 81 'peak 402' 81 49 81 59 c34215_6f7o 1 82 'peak 403' 82 49 82 59 c34215_6f7o 1 83 'peak 406' 83 49 83 59 c34215_6f7o 1 84 'peak 407' 84 49 84 59 c34215_6f7o 1 85 'peak 413' 85 49 85 59 c34215_6f7o 1 86 'peak 443' 86 49 86 59 c34215_6f7o 1 87 'peak 444' 87 49 87 59 c34215_6f7o 1 88 'peak 445' 88 49 88 59 c34215_6f7o 1 89 'peak 447' 89 49 89 59 c34215_6f7o 1 90 'peak 12' 90 49 90 59 c34215_6f7o 1 91 'peak 13' 91 49 91 59 c34215_6f7o 1 92 'peak 22' 92 49 92 59 c34215_6f7o 1 93 'peak 49' 93 49 93 59 c34215_6f7o 1 94 'peak 52' 94 49 94 59 c34215_6f7o 1 95 'peak 53' 95 49 95 59 c34215_6f7o 1 96 'peak 54' 96 49 96 59 c34215_6f7o 1 97 'peak 55' 97 49 97 59 c34215_6f7o 1 98 'peak 57' 98 49 98 59 c34215_6f7o 1 99 'peak 58' 99 49 99 59 c34215_6f7o 1 100 'peak 70' 100 49 100 59 c34215_6f7o 1 101 'peak 71' 101 49 101 59 c34215_6f7o 1 102 'peak 99' 102 49 102 59 c34215_6f7o 1 103 'peak 105' 103 49 103 59 c34215_6f7o 1 104 'peak 116' 104 49 104 59 c34215_6f7o 1 105 'peak 117' 105 49 105 59 c34215_6f7o 1 106 'peak 124' 106 49 106 59 c34215_6f7o 1 107 'peak 144' 107 49 107 59 c34215_6f7o 1 108 'peak 146' 108 49 108 59 c34215_6f7o 1 109 'peak 147' 109 49 109 59 c34215_6f7o 1 110 'peak 161' 110 49 110 59 c34215_6f7o 1 111 'peak 164' 111 49 111 59 c34215_6f7o 1 112 'peak 167' 112 49 112 59 c34215_6f7o 1 113 'peak 170' 113 49 113 59 c34215_6f7o 1 114 'peak 172' 114 49 114 59 c34215_6f7o 1 115 'peak 173' 115 49 115 59 c34215_6f7o 1 116 'peak 175' 116 49 116 59 c34215_6f7o 1 117 'peak 205' 117 49 117 59 c34215_6f7o 1 118 'peak 210' 118 49 118 59 c34215_6f7o 1 119 'peak 212' 119 49 119 59 c34215_6f7o 1 120 'peak 217' 120 49 120 59 c34215_6f7o 1 121 'peak 240' 121 49 121 59 c34215_6f7o 1 122 'peak 241' 122 49 122 59 c34215_6f7o 1 123 'peak 246' 123 49 123 59 c34215_6f7o 1 124 'peak 249' 124 49 124 59 c34215_6f7o 1 125 'peak 252' 125 49 125 59 c34215_6f7o 1 126 'peak 253' 126 49 126 59 c34215_6f7o 1 127 'peak 258' 127 49 127 59 c34215_6f7o 1 128 'peak 259' 128 49 128 59 c34215_6f7o 1 129 'peak 281' 129 49 129 59 c34215_6f7o 1 130 'peak 283' 130 49 130 59 c34215_6f7o 1 131 'peak 284' 131 49 131 59 c34215_6f7o 1 132 'peak 305' 132 49 132 59 c34215_6f7o 1 133 'peak 307' 133 49 133 59 c34215_6f7o 1 134 'peak 309' 134 49 134 59 c34215_6f7o 1 135 'peak 310' 135 49 135 59 c34215_6f7o 1 136 'peak 321' 136 49 136 59 c34215_6f7o 1 137 'peak 322' 137 49 137 59 c34215_6f7o 1 138 'peak 323' 138 49 138 59 c34215_6f7o 1 139 'peak 324' 139 49 139 59 c34215_6f7o 1 140 'peak 332' 140 49 140 59 c34215_6f7o 1 141 'peak 333' 141 49 141 59 c34215_6f7o 1 142 'peak 334' 142 49 142 59 c34215_6f7o 1 143 'peak 335' 143 49 143 59 c34215_6f7o 1 144 'peak 336' 144 49 144 59 c34215_6f7o 1 145 'peak 337' 145 49 145 59 c34215_6f7o 1 146 'peak 338' 146 49 146 59 c34215_6f7o 1 147 'peak 339' 147 49 147 59 c34215_6f7o 1 148 'peak 340' 148 49 148 59 c34215_6f7o 1 149 'peak 348' 149 49 149 59 c34215_6f7o 1 150 'peak 349' 150 49 150 59 c34215_6f7o 1 151 'peak 352' 151 49 151 59 c34215_6f7o 1 152 'peak 359' 152 49 152 59 c34215_6f7o 1 153 'peak 361' 153 49 153 59 c34215_6f7o 1 154 'peak 364' 154 49 154 59 c34215_6f7o 1 155 'peak 366' 155 49 155 59 c34215_6f7o 1 156 'peak 367' 156 49 156 59 c34215_6f7o 1 157 'peak 368' 157 49 157 59 c34215_6f7o 1 158 'peak 369' 158 49 158 59 c34215_6f7o 1 159 'peak 371' 159 49 159 59 c34215_6f7o 1 160 'peak 380' 160 49 160 59 c34215_6f7o 1 161 'peak 382' 161 49 161 59 c34215_6f7o 1 162 'peak 383' 162 49 162 59 c34215_6f7o 1 163 'peak 385' 163 49 163 59 c34215_6f7o 1 164 'peak 386' 164 49 164 59 c34215_6f7o 1 165 'peak 387' 165 49 165 59 c34215_6f7o 1 166 'peak 388' 166 49 166 59 c34215_6f7o 1 167 'peak 389' 167 49 167 59 c34215_6f7o 1 168 'peak 414' 168 49 168 59 c34215_6f7o 1 169 'peak 415' 169 49 169 59 c34215_6f7o 1 170 'peak 416' 170 49 170 59 c34215_6f7o 1 171 'peak 417' 171 49 171 59 c34215_6f7o 1 172 'peak 418' 172 49 172 59 c34215_6f7o 1 173 'peak 421' 173 49 173 59 c34215_6f7o 1 174 'peak 422' 174 49 174 59 c34215_6f7o 1 175 'peak 423' 175 49 175 59 c34215_6f7o 1 176 'peak 429' 176 49 176 59 c34215_6f7o 1 177 'peak 430' 177 49 177 59 c34215_6f7o 1 178 'peak 431' 178 49 178 59 c34215_6f7o 1 179 'peak 436' 179 49 179 59 c34215_6f7o 1 180 'peak 442' 180 49 180 59 c34215_6f7o 1 181 'peak 86' 181 49 181 59 c34215_6f7o 1 182 'peak 87' 182 49 182 59 c34215_6f7o 1 183 'peak 89' 183 49 183 59 c34215_6f7o 1 184 'peak 90' 184 49 184 59 c34215_6f7o 1 185 'peak 101' 185 49 185 59 c34215_6f7o 1 186 'peak 223' 186 49 186 59 c34215_6f7o 1 187 'peak 226' 187 49 187 59 c34215_6f7o 1 188 'peak 231' 188 49 188 59 c34215_6f7o 1 189 'peak 232' 189 49 189 59 c34215_6f7o 1 190 'peak 303' 190 49 190 59 c34215_6f7o 1 191 'peak 304' 191 49 191 59 c34215_6f7o 1 192 'peak 313' 192 49 192 59 c34215_6f7o 1 193 'peak 318' 193 49 193 59 c34215_6f7o 1 194 'peak 375' 194 49 194 59 c34215_6f7o 1 195 'peak 381' 195 49 195 59 c34215_6f7o 1 196 'peak 390' 196 49 196 59 c34215_6f7o 1 197 'peak 391' 197 49 197 59 c34215_6f7o 1 198 'peak 408' 198 49 198 59 c34215_6f7o 1 199 'peak 410' 199 49 199 59 c34215_6f7o 1 200 'peak 411' 200 49 200 59 c34215_6f7o 1 201 'peak 412' 201 49 201 59 c34215_6f7o 1 202 'peak 426' 202 49 202 59 c34215_6f7o 1 203 'peak 427' 203 49 203 59 c34215_6f7o 1 204 'peak 428' 204 49 204 59 c34215_6f7o 1 205 'peak 433' 205 49 205 59 c34215_6f7o 1 206 'peak 434' 206 49 206 59 c34215_6f7o 1 207 'peak 438' 207 49 207 59 c34215_6f7o 1 208 'peak 439' 208 49 208 59 c34215_6f7o 1 209 'peak 440' 209 49 209 59 c34215_6f7o 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 45 1 "Not handling restraint 45, item 1, resonance(s) ' .10.H' (nmrStar names) not linked" c34215_6f7o 1 2 2 46 1 "Not handling restraint 46, item 1, resonance(s) ' .10.H' (nmrStar names) not linked" c34215_6f7o 1 3 2 47 1 "Not handling restraint 47, item 1, resonance(s) ' .6.H' (nmrStar names) not linked" c34215_6f7o 1 4 2 48 1 "Not handling restraint 48, item 1, resonance(s) ' .6.H' (nmrStar names) not linked" c34215_6f7o 1 5 2 49 1 "Not handling restraint 49, item 1, resonance(s) ' .6.H' (nmrStar names) not linked" c34215_6f7o 1 6 2 49 1 "Not handling restraint 49, item 1, resonance(s) ' .6.H' (nmrStar names) not linked" c34215_6f7o 1 7 2 50 1 "Not handling restraint 50, item 1, resonance(s) ' .10.H' (nmrStar names) not linked" c34215_6f7o 1 8 2 51 1 "Not handling restraint 51, item 1, resonance(s) ' .10.H' (nmrStar names) not linked" c34215_6f7o 1 9 2 53 1 "Not handling restraint 53, item 1, resonance(s) ' .10.H' (nmrStar names) not linked" c34215_6f7o 1 10 2 54 1 "Not handling restraint 54, item 1, resonance(s) ' .10.H' (nmrStar names) not linked" c34215_6f7o 1 11 2 55 1 "Not handling restraint 55, item 1, resonance(s) ' .10.H' (nmrStar names) not linked" c34215_6f7o 1 12 2 56 1 "Not handling restraint 56, item 1, resonance(s) ' .6.H' (nmrStar names) not linked" c34215_6f7o 1 13 2 61 1 "Not handling restraint 61, item 1, resonance(s) ' .10.H' (nmrStar names) not linked" c34215_6f7o 1 14 2 64 1 "Not handling restraint 64, item 1, resonance(s) ' .10.H' (nmrStar names) not linked" c34215_6f7o 1 15 2 65 1 "Not handling restraint 65, item 1, resonance(s) ' .6.H' (nmrStar names) not linked" c34215_6f7o 1 16 2 66 1 "Not handling restraint 66, item 1, resonance(s) ' .6.H' (nmrStar names),' .6.HB2' (nmrStar names) not linked" c34215_6f7o 1 17 2 67 1 "Not handling restraint 67, item 1, resonance(s) ' .6.H' (nmrStar names),' .6.HB3' (nmrStar names) not linked" c34215_6f7o 1 18 2 70 1 "Not handling restraint 70, item 1, resonance(s) ' .6.HB2' (nmrStar names) not linked" c34215_6f7o 1 19 2 71 1 "Not handling restraint 71, item 1, resonance(s) ' .6.HB3' (nmrStar names) not linked" c34215_6f7o 1 20 2 75 1 "Not handling restraint 75, item 1, resonance(s) ' .10.H' (nmrStar names),' .10.HB2' (nmrStar names) not linked" c34215_6f7o 1 21 2 76 1 "Not handling restraint 76, item 1, resonance(s) ' .10.H' (nmrStar names),' .10.HB3' (nmrStar names) not linked" c34215_6f7o 1 22 2 77 1 "Not handling restraint 77, item 1, resonance(s) ' .10.HB3' (nmrStar names) not linked" c34215_6f7o 1 23 2 80 1 "Not handling restraint 80, item 1, resonance(s) ' .10.HB3' (nmrStar names) not linked" c34215_6f7o 1 24 2 81 1 "Not handling restraint 81, item 1, resonance(s) ' .10.HB2' (nmrStar names) not linked" c34215_6f7o 1 25 2 84 1 "Not handling restraint 84, item 1, resonance(s) ' .10.HB2' (nmrStar names) not linked" c34215_6f7o 1 26 2 85 1 "Not handling restraint 85, item 1, resonance(s) ' .6.H' (nmrStar names) not linked" c34215_6f7o 1 27 2 88 1 "Not handling restraint 88, item 1, resonance(s) ' .10.H' (nmrStar names) not linked" c34215_6f7o 1 28 2 128 1 "Not handling restraint 128, item 1, resonance(s) ' .1.H11' (nmrStar names) not linked" c34215_6f7o 1 29 2 131 1 "Not handling restraint 131, item 1, resonance(s) ' .6.QG' (nmrStar names) not linked" c34215_6f7o 1 30 2 132 1 "Not handling restraint 132, item 1, resonance(s) ' .6.QG' (nmrStar names),' .6.HE' (nmrStar names) not linked" c34215_6f7o 1 31 2 133 1 "Not handling restraint 133, item 1, resonance(s) ' .10.HG2' (nmrStar names),' .10.HE' (nmrStar names) not linked" c34215_6f7o 1 32 2 134 1 "Not handling restraint 134, item 1, resonance(s) ' .10.HE' (nmrStar names),' .10.HG3' (nmrStar names) not linked" c34215_6f7o 1 33 2 135 1 "Not handling restraint 135, item 1, resonance(s) ' .6.HB3' (nmrStar names),' .6.HE' (nmrStar names) not linked" c34215_6f7o 1 34 2 136 1 "Not handling restraint 136, item 1, resonance(s) ' .6.HB2' (nmrStar names),' .6.HE' (nmrStar names) not linked" c34215_6f7o 1 35 2 137 1 "Not handling restraint 137, item 1, resonance(s) ' .6.HE' (nmrStar names),' .6.HD3' (nmrStar names) not linked" c34215_6f7o 1 36 2 138 1 "Not handling restraint 138, item 1, resonance(s) ' .6.HE' (nmrStar names),' .6.HD2' (nmrStar names) not linked" c34215_6f7o 1 37 2 139 1 "Not handling restraint 139, item 1, resonance(s) ' .6.HB2' (nmrStar names),' .6.QG' (nmrStar names) not linked" c34215_6f7o 1 38 2 140 1 "Not handling restraint 140, item 1, resonance(s) ' .6.HB3' (nmrStar names),' .6.QG' (nmrStar names) not linked" c34215_6f7o 1 39 2 141 1 "Not handling restraint 141, item 1, resonance(s) ' .6.HB3' (nmrStar names),' .6.QG' (nmrStar names) not linked" c34215_6f7o 1 40 2 142 1 "Not handling restraint 142, item 1, resonance(s) ' .6.HB2' (nmrStar names),' .6.QG' (nmrStar names) not linked" c34215_6f7o 1 41 2 143 1 "Not handling restraint 143, item 1, resonance(s) ' .6.QG' (nmrStar names),' .6.HD3' (nmrStar names) not linked" c34215_6f7o 1 42 2 144 1 "Not handling restraint 144, item 1, resonance(s) ' .6.QG' (nmrStar names),' .6.HD2' (nmrStar names) not linked" c34215_6f7o 1 43 2 145 1 "Not handling restraint 145, item 1, resonance(s) ' .10.HE' (nmrStar names),' .10.HD2' (nmrStar names) not linked" c34215_6f7o 1 44 2 146 1 "Not handling restraint 146, item 1, resonance(s) ' .10.HE' (nmrStar names),' .10.HD3' (nmrStar names) not linked" c34215_6f7o 1 45 2 147 1 "Not handling restraint 147, item 1, resonance(s) ' .10.HB2' (nmrStar names),' .10.HE' (nmrStar names) not linked" c34215_6f7o 1 46 2 148 1 "Not handling restraint 148, item 1, resonance(s) ' .10.HD2' (nmrStar names),' .10.HD3' (nmrStar names) not linked" c34215_6f7o 1 47 2 149 1 "Not handling restraint 149, item 1, resonance(s) ' .10.HB2' (nmrStar names),' .10.HD2' (nmrStar names) not linked" c34215_6f7o 1 48 2 150 1 "Not handling restraint 150, item 1, resonance(s) ' .10.HG3' (nmrStar names),' .10.HD2' (nmrStar names) not linked" c34215_6f7o 1 49 2 151 1 "Not handling restraint 151, item 1, resonance(s) ' .10.HB2' (nmrStar names),' .10.HD2' (nmrStar names) not linked" c34215_6f7o 1 50 2 152 1 "Not handling restraint 152, item 1, resonance(s) ' .10.HB3' (nmrStar names),' .10.HG2' (nmrStar names) not linked" c34215_6f7o 1 51 2 153 1 "Not handling restraint 153, item 1, resonance(s) ' .10.HB3' (nmrStar names),' .10.HD2' (nmrStar names) not linked" c34215_6f7o 1 52 2 154 1 "Not handling restraint 154, item 1, resonance(s) ' .10.HG2' (nmrStar names),' .10.HD2' (nmrStar names) not linked" c34215_6f7o 1 53 2 155 1 "Not handling restraint 155, item 1, resonance(s) ' .10.HG2' (nmrStar names),' .10.HG3' (nmrStar names) not linked" c34215_6f7o 1 54 2 156 1 "Not handling restraint 156, item 1, resonance(s) ' .10.HB3' (nmrStar names),' .10.HG3' (nmrStar names) not linked" c34215_6f7o 1 55 2 157 1 "Not handling restraint 157, item 1, resonance(s) ' .10.HB2' (nmrStar names),' .10.HG3' (nmrStar names) not linked" c34215_6f7o 1 56 2 158 1 "Not handling restraint 158, item 1, resonance(s) ' .10.HG3' (nmrStar names),' .10.HD2' (nmrStar names) not linked" c34215_6f7o 1 57 2 159 1 "Not handling restraint 159, item 1, resonance(s) ' .10.H' (nmrStar names),' .10.HD2' (nmrStar names) not linked" c34215_6f7o 1 58 2 160 1 "Not handling restraint 160, item 1, resonance(s) ' .10.H' (nmrStar names),' .10.HG3' (nmrStar names) not linked" c34215_6f7o 1 59 2 161 1 "Not handling restraint 161, item 1, resonance(s) ' .10.H' (nmrStar names),' .10.HG2' (nmrStar names) not linked" c34215_6f7o 1 60 2 162 1 "Not handling restraint 162, item 1, resonance(s) ' .6.HE' (nmrStar names),' .10.HE' (nmrStar names) not linked" c34215_6f7o 1 61 2 163 1 "Not handling restraint 163, item 1, resonance(s) ' .6.HE' (nmrStar names),' .10.HE' (nmrStar names) not linked" c34215_6f7o 1 62 2 164 1 "Not handling restraint 164, item 1, resonance(s) ' .6.QG' (nmrStar names),' .10.HE' (nmrStar names) not linked" c34215_6f7o 1 63 2 165 1 "Not handling restraint 165, item 1, resonance(s) ' .6.HE' (nmrStar names),' .10.HG3' (nmrStar names) not linked" c34215_6f7o 1 64 2 166 1 "Not handling restraint 166, item 1, resonance(s) ' .6.HE' (nmrStar names),' .10.HG2' (nmrStar names) not linked" c34215_6f7o 1 65 2 169 1 "Not handling restraint 169, item 1, resonance(s) ' .10.H' (nmrStar names),' .10.HD3' (nmrStar names) not linked" c34215_6f7o 1 66 2 170 1 "Not handling restraint 170, item 1, resonance(s) ' .6.H' (nmrStar names),' .6.HD3' (nmrStar names) not linked" c34215_6f7o 1 67 2 171 1 "Not handling restraint 171, item 1, resonance(s) ' .6.HD3' (nmrStar names) not linked" c34215_6f7o 1 68 2 179 1 "Not handling restraint 179, item 1, resonance(s) ' .10.HD2' (nmrStar names) not linked" c34215_6f7o 1 69 2 189 1 "Not handling restraint 189, item 1, resonance(s) ' .6.H' (nmrStar names),' .6.QB1' (nmrStar names) not linked" c34215_6f7o 1 70 2 190 1 "Not handling restraint 190, item 1, resonance(s) ' .6.QB1' (nmrStar names) not linked" c34215_6f7o 1 71 2 191 1 "Not handling restraint 191, item 1, resonance(s) ' .6.QB1' (nmrStar names) not linked" c34215_6f7o 1 72 2 192 1 "Not handling restraint 192, item 1, resonance(s) ' .10.QB1' (nmrStar names) not linked" c34215_6f7o 1 73 2 194 1 "Not handling restraint 194, item 1, resonance(s) ' .10.H' (nmrStar names),' .10.QB1' (nmrStar names) not linked" c34215_6f7o 1 74 2 195 1 "Not handling restraint 195, item 1, resonance(s) ' .6.QB1' (nmrStar names) not linked" c34215_6f7o 1 75 2 196 1 "Not handling restraint 196, item 1, resonance(s) ' .10.QB1' (nmrStar names) not linked" c34215_6f7o 1 76 2 206 1 "Not handling restraint 206, item 1, resonance(s) ' .6.QG' (nmrStar names),' .6.QB1' (nmrStar names) not linked" c34215_6f7o 1 77 2 207 1 "Not handling restraint 207, item 1, resonance(s) ' .6.HB2' (nmrStar names),' .6.QB1' (nmrStar names) not linked" c34215_6f7o 1 78 2 208 1 "Not handling restraint 208, item 1, resonance(s) ' .6.HB3' (nmrStar names),' .6.QB1' (nmrStar names) not linked" c34215_6f7o 1 79 2 209 1 "Not handling restraint 209, item 1, resonance(s) ' .6.CE' (nmrStar names),' .10.CE' (nmrStar names) not linked" c34215_6f7o 1 stop_ save_ save_DYANA/DIANA_dihedral_3 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Sf_framecode DYANA/DIANA_dihedral_3 _Torsion_angle_constraint_list.Entry_ID c34215_6f7o _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Details 'Generated by Wattos' _Torsion_angle_constraint_list.Constraint_file_ID 1 _Torsion_angle_constraint_list.Block_ID 3 loop_ _Torsion_angle_constraint_software.Software_ID _Torsion_angle_constraint_software.Software_label _Torsion_angle_constraint_software.Method_ID _Torsion_angle_constraint_software.Method_label _Torsion_angle_constraint_software.Entry_ID _Torsion_angle_constraint_software.Torsion_angle_constraint_list_ID . . . . c34215_6f7o 1 stop_ loop_ _Torsion_angle_constraint.ID _Torsion_angle_constraint.Torsion_angle_name _Torsion_angle_constraint.Assembly_atom_ID_1 _Torsion_angle_constraint.Entity_assembly_ID_1 _Torsion_angle_constraint.Entity_ID_1 _Torsion_angle_constraint.Comp_index_ID_1 _Torsion_angle_constraint.Seq_ID_1 _Torsion_angle_constraint.Comp_ID_1 _Torsion_angle_constraint.Atom_ID_1 _Torsion_angle_constraint.Atom_type_1 _Torsion_angle_constraint.Resonance_ID_1 _Torsion_angle_constraint.Assembly_atom_ID_2 _Torsion_angle_constraint.Entity_assembly_ID_2 _Torsion_angle_constraint.Entity_ID_2 _Torsion_angle_constraint.Comp_index_ID_2 _Torsion_angle_constraint.Seq_ID_2 _Torsion_angle_constraint.Comp_ID_2 _Torsion_angle_constraint.Atom_ID_2 _Torsion_angle_constraint.Atom_type_2 _Torsion_angle_constraint.Resonance_ID_2 _Torsion_angle_constraint.Assembly_atom_ID_3 _Torsion_angle_constraint.Entity_assembly_ID_3 _Torsion_angle_constraint.Entity_ID_3 _Torsion_angle_constraint.Comp_index_ID_3 _Torsion_angle_constraint.Seq_ID_3 _Torsion_angle_constraint.Comp_ID_3 _Torsion_angle_constraint.Atom_ID_3 _Torsion_angle_constraint.Atom_type_3 _Torsion_angle_constraint.Resonance_ID_3 _Torsion_angle_constraint.Assembly_atom_ID_4 _Torsion_angle_constraint.Entity_assembly_ID_4 _Torsion_angle_constraint.Entity_ID_4 _Torsion_angle_constraint.Comp_index_ID_4 _Torsion_angle_constraint.Seq_ID_4 _Torsion_angle_constraint.Comp_ID_4 _Torsion_angle_constraint.Atom_ID_4 _Torsion_angle_constraint.Atom_type_4 _Torsion_angle_constraint.Resonance_ID_4 _Torsion_angle_constraint.Angle_lower_bound_val _Torsion_angle_constraint.Angle_upper_bound_val _Torsion_angle_constraint.Source_experiment_ID _Torsion_angle_constraint.PDB_record_ID_1 _Torsion_angle_constraint.PDB_model_num_1 _Torsion_angle_constraint.PDB_strand_ID_1 _Torsion_angle_constraint.PDB_ins_code_1 _Torsion_angle_constraint.PDB_residue_no_1 _Torsion_angle_constraint.PDB_residue_name_1 _Torsion_angle_constraint.PDB_atom_name_1 _Torsion_angle_constraint.PDB_record_ID_2 _Torsion_angle_constraint.PDB_model_num_2 _Torsion_angle_constraint.PDB_strand_ID_2 _Torsion_angle_constraint.PDB_ins_code_2 _Torsion_angle_constraint.PDB_residue_no_2 _Torsion_angle_constraint.PDB_residue_name_2 _Torsion_angle_constraint.PDB_atom_name_2 _Torsion_angle_constraint.PDB_record_ID_3 _Torsion_angle_constraint.PDB_model_num_3 _Torsion_angle_constraint.PDB_strand_ID_3 _Torsion_angle_constraint.PDB_ins_code_3 _Torsion_angle_constraint.PDB_residue_no_3 _Torsion_angle_constraint.PDB_residue_name_3 _Torsion_angle_constraint.PDB_atom_name_3 _Torsion_angle_constraint.PDB_record_ID_4 _Torsion_angle_constraint.PDB_model_num_4 _Torsion_angle_constraint.PDB_strand_ID_4 _Torsion_angle_constraint.PDB_ins_code_4 _Torsion_angle_constraint.PDB_residue_no_4 _Torsion_angle_constraint.PDB_residue_name_4 _Torsion_angle_constraint.PDB_atom_name_4 _Torsion_angle_constraint.Auth_entity_assembly_ID_1 _Torsion_angle_constraint.Auth_asym_ID_1 _Torsion_angle_constraint.Auth_chain_ID_1 _Torsion_angle_constraint.Auth_seq_ID_1 _Torsion_angle_constraint.Auth_comp_ID_1 _Torsion_angle_constraint.Auth_atom_ID_1 _Torsion_angle_constraint.Auth_alt_ID_1 _Torsion_angle_constraint.Auth_atom_name_1 _Torsion_angle_constraint.Auth_entity_assembly_ID_2 _Torsion_angle_constraint.Auth_asym_ID_2 _Torsion_angle_constraint.Auth_chain_ID_2 _Torsion_angle_constraint.Auth_seq_ID_2 _Torsion_angle_constraint.Auth_comp_ID_2 _Torsion_angle_constraint.Auth_atom_ID_2 _Torsion_angle_constraint.Auth_alt_ID_2 _Torsion_angle_constraint.Auth_atom_name_2 _Torsion_angle_constraint.Auth_entity_assembly_ID_3 _Torsion_angle_constraint.Auth_asym_ID_3 _Torsion_angle_constraint.Auth_chain_ID_3 _Torsion_angle_constraint.Auth_seq_ID_3 _Torsion_angle_constraint.Auth_comp_ID_3 _Torsion_angle_constraint.Auth_atom_ID_3 _Torsion_angle_constraint.Auth_alt_ID_3 _Torsion_angle_constraint.Auth_atom_name_3 _Torsion_angle_constraint.Auth_entity_assembly_ID_4 _Torsion_angle_constraint.Auth_asym_ID_4 _Torsion_angle_constraint.Auth_chain_ID_4 _Torsion_angle_constraint.Auth_seq_ID_4 _Torsion_angle_constraint.Auth_comp_ID_4 _Torsion_angle_constraint.Auth_atom_ID_4 _Torsion_angle_constraint.Auth_alt_ID_4 _Torsion_angle_constraint.Auth_atom_name_4 _Torsion_angle_constraint.Entry_ID _Torsion_angle_constraint.Torsion_angle_constraint_list_ID 1 PHI . 1 1 1 1 ACE C C . . 1 1 2 2 ASP N N . . 1 1 2 2 ASP CA C . . 1 1 2 2 ASP C C . -315.0 -45.0 . . . A . 1 ACE C . . A . 2 ASP N . . A . 2 ASP CA . . A . 2 ASP C . . . 2 ASP . . . . . . 2 ASP . . . . . . 2 ASP . . . . . . 2 ASP . . . c34215_6f7o 1 2 PHI . 1 1 1 1 ACE C C . . 1 1 2 2 ASP N N . . 1 1 2 2 ASP CA C . . 1 1 2 2 ASP C C . -185.0 75.0 . . . A . 1 ACE C . . A . 2 ASP N . . A . 2 ASP CA . . A . 2 ASP C . . . 2 ASP . . . . . . 2 ASP . . . . . . 2 ASP . . . . . . 2 ASP . . . c34215_6f7o 1 3 CHI1 . 1 1 2 2 ASP N N . . 1 1 2 2 ASP CA C . . 1 1 2 2 ASP CB C . . 1 1 2 2 ASP CG C . -195.0 115.0 . . . A . 2 ASP N . . A . 2 ASP CA . . A . 2 ASP CB . . A . 2 ASP CG . . . 2 ASP . . . . . . 2 ASP . . . . . . 2 ASP . . . . . . 2 ASP . . . c34215_6f7o 1 4 PSI . 1 1 2 2 ASP N N . . 1 1 2 2 ASP CA C . . 1 1 2 2 ASP C C . . 1 1 3 3 PRO N N . 55.0 165.0 . . . A . 2 ASP N . . A . 2 ASP CA . . A . 2 ASP C . . A . 3 PRO N . . . 2 ASP . . . . . . 2 ASP . . . . . . 2 ASP . . . . . . 2 ASP . . . c34215_6f7o 1 5 PSI . 1 1 2 2 ASP N N . . 1 1 2 2 ASP CA C . . 1 1 2 2 ASP C C . . 1 1 3 3 PRO N N . -215.0 85.0 . . . A . 2 ASP N . . A . 2 ASP CA . . A . 2 ASP C . . A . 3 PRO N . . . 2 ASP . . . . . . 2 ASP . . . . . . 2 ASP . . . . . . 2 ASP . . . c34215_6f7o 1 6 PSI . 1 1 3 3 PRO N N . . 1 1 3 3 PRO CA C . . 1 1 3 3 PRO C C . . 1 1 4 4 GLN N N . -295.0 5.0 . . . A . 3 PRO N . . A . 3 PRO CA . . A . 3 PRO C . . A . 4 GLN N . . . 3 PRO . . . . . . 3 PRO . . . . . . 3 PRO . . . . . . 3 PRO . . . c34215_6f7o 1 7 PSI . 1 1 3 3 PRO N N . . 1 1 3 3 PRO CA C . . 1 1 3 3 PRO C C . . 1 1 4 4 GLN N N . -55.0 195.0 . . . A . 3 PRO N . . A . 3 PRO CA . . A . 3 PRO C . . A . 4 GLN N . . . 3 PRO . . . . . . 3 PRO . . . . . . 3 PRO . . . . . . 3 PRO . . . c34215_6f7o 1 8 PHI . 1 1 3 3 PRO C C . . 1 1 4 4 GLN N N . . 1 1 4 4 GLN CA C . . 1 1 4 4 GLN C C . -315.0 -45.0 . . . A . 3 PRO C . . A . 4 GLN N . . A . 4 GLN CA . . A . 4 GLN C . . . 4 GLN . . . . . . 4 GLN . . . . . . 4 GLN . . . . . . 4 GLN . . . c34215_6f7o 1 9 PHI . 1 1 3 3 PRO C C . . 1 1 4 4 GLN N N . . 1 1 4 4 GLN CA C . . 1 1 4 4 GLN C C . -185.0 75.0 . . . A . 3 PRO C . . A . 4 GLN N . . A . 4 GLN CA . . A . 4 GLN C . . . 4 GLN . . . . . . 4 GLN . . . . . . 4 GLN . . . . . . 4 GLN . . . c34215_6f7o 1 10 CHI1 . 1 1 4 4 GLN N N . . 1 1 4 4 GLN CA C . . 1 1 4 4 GLN CB C . . 1 1 4 4 GLN CG C . -335.0 -25.0 . . . A . 4 GLN N . . A . 4 GLN CA . . A . 4 GLN CB . . A . 4 GLN CG . . . 4 GLN . . . . . . 4 GLN . . . . . . 4 GLN . . . . . . 4 GLN . . . c34215_6f7o 1 11 CHI1 . 1 1 4 4 GLN N N . . 1 1 4 4 GLN CA C . . 1 1 4 4 GLN CB C . . 1 1 4 4 GLN CG C . -205.0 95.0 . . . A . 4 GLN N . . A . 4 GLN CA . . A . 4 GLN CB . . A . 4 GLN CG . . . 4 GLN . . . . . . 4 GLN . . . . . . 4 GLN . . . . . . 4 GLN . . . c34215_6f7o 1 12 CHI2 . 1 1 4 4 GLN CA C . . 1 1 4 4 GLN CB C . . 1 1 4 4 GLN CG C . . 1 1 4 4 GLN CD C . -345.0 -15.0 . . . A . 4 GLN CA . . A . 4 GLN CB . . A . 4 GLN CG . . A . 4 GLN CD . . . 4 GLN . . . . . . 4 GLN . . . . . . 4 GLN . . . . . . 4 GLN . . . c34215_6f7o 1 13 PSI . 1 1 4 4 GLN N N . . 1 1 4 4 GLN CA C . . 1 1 4 4 GLN C C . . 1 1 5 5 HIS N N . -85.0 195.0 . . . A . 4 GLN N . . A . 4 GLN CA . . A . 4 GLN C . . A . 5 HIS N . . . 4 GLN . . . . . . 4 GLN . . . . . . 4 GLN . . . . . . 4 GLN . . . c34215_6f7o 1 14 PHI . 1 1 4 4 GLN C C . . 1 1 5 5 HIS N N . . 1 1 5 5 HIS CA C . . 1 1 5 5 HIS C C . -315.0 -45.0 . . . A . 4 GLN C . . A . 5 HIS N . . A . 5 HIS CA . . A . 5 HIS C . . . 5 HIS . . . . . . 5 HIS . . . . . . 5 HIS . . . . . . 5 HIS . . . c34215_6f7o 1 15 PHI . 1 1 4 4 GLN C C . . 1 1 5 5 HIS N N . . 1 1 5 5 HIS CA C . . 1 1 5 5 HIS C C . -185.0 75.0 . . . A . 4 GLN C . . A . 5 HIS N . . A . 5 HIS CA . . A . 5 HIS C . . . 5 HIS . . . . . . 5 HIS . . . . . . 5 HIS . . . . . . 5 HIS . . . c34215_6f7o 1 16 CHI1 . 1 1 5 5 HIS N N . . 1 1 5 5 HIS CA C . . 1 1 5 5 HIS CB C . . 1 1 5 5 HIS CG C . -335.0 -25.0 . . . A . 5 HIS N . . A . 5 HIS CA . . A . 5 HIS CB . . A . 5 HIS CG . . . 5 HIS . . . . . . 5 HIS . . . . . . 5 HIS . . . . . . 5 HIS . . . c34215_6f7o 1 17 CHI1 . 1 1 5 5 HIS N N . . 1 1 5 5 HIS CA C . . 1 1 5 5 HIS CB C . . 1 1 5 5 HIS CG C . -205.0 95.0 . . . A . 5 HIS N . . A . 5 HIS CA . . A . 5 HIS CB . . A . 5 HIS CG . . . 5 HIS . . . . . . 5 HIS . . . . . . 5 HIS . . . . . . 5 HIS . . . c34215_6f7o 1 18 CHI1 . 1 1 7 7 ARG N N . . 1 1 7 7 ARG CA C . . 1 1 7 7 ARG CB C . . 1 1 7 7 ARG CG C . -315.0 -45.0 . . . A . 7 ARG N . . A . 7 ARG CA . . A . 7 ARG CB . . A . 7 ARG CG . . . 7 ARG . . . . . . 7 ARG . . . . . . 7 ARG . . . . . . 7 ARG . . . c34215_6f7o 1 19 CHI1 . 1 1 7 7 ARG N N . . 1 1 7 7 ARG CA C . . 1 1 7 7 ARG CB C . . 1 1 7 7 ARG CG C . -295.0 55.0 . . . A . 7 ARG N . . A . 7 ARG CA . . A . 7 ARG CB . . A . 7 ARG CG . . . 7 ARG . . . . . . 7 ARG . . . . . . 7 ARG . . . . . . 7 ARG . . . c34215_6f7o 1 20 CHI1 . 1 1 7 7 ARG N N . . 1 1 7 7 ARG CA C . . 1 1 7 7 ARG CB C . . 1 1 7 7 ARG CG C . -205.0 85.0 . . . A . 7 ARG N . . A . 7 ARG CA . . A . 7 ARG CB . . A . 7 ARG CG . . . 7 ARG . . . . . . 7 ARG . . . . . . 7 ARG . . . . . . 7 ARG . . . c34215_6f7o 1 21 CHI1 . 1 1 7 7 ARG N N . . 1 1 7 7 ARG CA C . . 1 1 7 7 ARG CB C . . 1 1 7 7 ARG CG C . -55.0 295.0 . . . A . 7 ARG N . . A . 7 ARG CA . . A . 7 ARG CB . . A . 7 ARG CG . . . 7 ARG . . . . . . 7 ARG . . . . . . 7 ARG . . . . . . 7 ARG . . . c34215_6f7o 1 22 CHI2 . 1 1 7 7 ARG CA C . . 1 1 7 7 ARG CB C . . 1 1 7 7 ARG CG C . . 1 1 7 7 ARG CD C . -325.0 -35.0 . . . A . 7 ARG CA . . A . 7 ARG CB . . A . 7 ARG CG . . A . 7 ARG CD . . . 7 ARG . . . . . . 7 ARG . . . . . . 7 ARG . . . . . . 7 ARG . . . c34215_6f7o 1 23 PSI . 1 1 7 7 ARG N N . . 1 1 7 7 ARG CA C . . 1 1 7 7 ARG C C . . 1 1 8 8 LYS N N . -85.0 85.0 . . . A . 7 ARG N . . A . 7 ARG CA . . A . 7 ARG C . . A . 8 LYS N . . . 7 ARG . . . . . . 7 ARG . . . . . . 7 ARG . . . . . . 7 ARG . . . c34215_6f7o 1 24 PHI . 1 1 7 7 ARG C C . . 1 1 8 8 LYS N N . . 1 1 8 8 LYS CA C . . 1 1 8 8 LYS C C . -315.0 -45.0 . . . A . 7 ARG C . . A . 8 LYS N . . A . 8 LYS CA . . A . 8 LYS C . . . 8 LYS . . . . . . 8 LYS . . . . . . 8 LYS . . . . . . 8 LYS . . . c34215_6f7o 1 25 PHI . 1 1 7 7 ARG C C . . 1 1 8 8 LYS N N . . 1 1 8 8 LYS CA C . . 1 1 8 8 LYS C C . -185.0 75.0 . . . A . 7 ARG C . . A . 8 LYS N . . A . 8 LYS CA . . A . 8 LYS C . . . 8 LYS . . . . . . 8 LYS . . . . . . 8 LYS . . . . . . 8 LYS . . . c34215_6f7o 1 26 CHI1 . 1 1 8 8 LYS N N . . 1 1 8 8 LYS CA C . . 1 1 8 8 LYS CB C . . 1 1 8 8 LYS CG C . -335.0 -25.0 . . . A . 8 LYS N . . A . 8 LYS CA . . A . 8 LYS CB . . A . 8 LYS CG . . . 8 LYS . . . . . . 8 LYS . . . . . . 8 LYS . . . . . . 8 LYS . . . c34215_6f7o 1 27 CHI1 . 1 1 8 8 LYS N N . . 1 1 8 8 LYS CA C . . 1 1 8 8 LYS CB C . . 1 1 8 8 LYS CG C . -205.0 95.0 . . . A . 8 LYS N . . A . 8 LYS CA . . A . 8 LYS CB . . A . 8 LYS CG . . . 8 LYS . . . . . . 8 LYS . . . . . . 8 LYS . . . . . . 8 LYS . . . c34215_6f7o 1 28 CHI2 . 1 1 8 8 LYS CA C . . 1 1 8 8 LYS CB C . . 1 1 8 8 LYS CG C . . 1 1 8 8 LYS CD C . -325.0 -35.0 . . . A . 8 LYS CA . . A . 8 LYS CB . . A . 8 LYS CG . . A . 8 LYS CD . . . 8 LYS . . . . . . 8 LYS . . . . . . 8 LYS . . . . . . 8 LYS . . . c34215_6f7o 1 29 PSI . 1 1 8 8 LYS N N . . 1 1 8 8 LYS CA C . . 1 1 8 8 LYS C C . . 1 1 9 9 LEU N N . -85.0 115.0 . . . A . 8 LYS N . . A . 8 LYS CA . . A . 8 LYS C . . A . 9 LEU N . . . 8 LYS . . . . . . 8 LYS . . . . . . 8 LYS . . . . . . 8 LYS . . . c34215_6f7o 1 30 PHI . 1 1 8 8 LYS C C . . 1 1 9 9 LEU N N . . 1 1 9 9 LEU CA C . . 1 1 9 9 LEU C C . -115.0 -45.0 . . . A . 8 LYS C . . A . 9 LEU N . . A . 9 LEU CA . . A . 9 LEU C . . . 9 LEU . . . . . . 9 LEU . . . . . . 9 LEU . . . . . . 9 LEU . . . c34215_6f7o 1 31 CHI1 . 1 1 9 9 LEU N N . . 1 1 9 9 LEU CA C . . 1 1 9 9 LEU CB C . . 1 1 9 9 LEU CG C . -135.0 -85.0 . . . A . 9 LEU N . . A . 9 LEU CA . . A . 9 LEU CB . . A . 9 LEU CG . . . 9 LEU . . . . . . 9 LEU . . . . . . 9 LEU . . . . . . 9 LEU . . . c34215_6f7o 1 32 CHI2 . 1 1 9 9 LEU CA C . . 1 1 9 9 LEU CB C . . 1 1 9 9 LEU CG C . . 1 1 9 9 LEU CD1 C . 85.0 195.0 . . . A . 9 LEU CA . . A . 9 LEU CB . . A . 9 LEU CG . . A . 9 LEU CD1 . . . 9 LEU . . . . . . 9 LEU . . . . . . 9 LEU . . . . . . 9 LEU . . . c34215_6f7o 1 33 CHI1 . 1 1 11 11 GLN N N . . 1 1 11 11 GLN CA C . . 1 1 11 11 GLN CB C . . 1 1 11 11 GLN CG C . -205.0 -105.0 . . . A . 11 GLN N . . A . 11 GLN CA . . A . 11 GLN CB . . A . 11 GLN CG . . . 11 GLN . . . . . . 11 GLN . . . . . . 11 GLN . . . . . . 11 GLN . . . c34215_6f7o 1 34 CHI2 . 1 1 11 11 GLN CA C . . 1 1 11 11 GLN CB C . . 1 1 11 11 GLN CG C . . 1 1 11 11 GLN CD C . -335.0 -25.0 . . . A . 11 GLN CA . . A . 11 GLN CB . . A . 11 GLN CG . . A . 11 GLN CD . . . 11 GLN . . . . . . 11 GLN . . . . . . 11 GLN . . . . . . 11 GLN . . . c34215_6f7o 1 35 PSI . 1 1 11 11 GLN N N . . 1 1 11 11 GLN CA C . . 1 1 11 11 GLN C C . . 1 1 12 12 ALA N N . -85.0 5.0 . . . A . 11 GLN N . . A . 11 GLN CA . . A . 11 GLN C . . A . 12 ALA N . . . 11 GLN . . . . . . 11 GLN . . . . . . 11 GLN . . . . . . 11 GLN . . . c34215_6f7o 1 36 PHI . 1 1 11 11 GLN C C . . 1 1 12 12 ALA N N . . 1 1 12 12 ALA CA C . . 1 1 12 12 ALA C C . -315.0 -45.0 . . . A . 11 GLN C . . A . 12 ALA N . . A . 12 ALA CA . . A . 12 ALA C . . . 12 ALA . . . . . . 12 ALA . . . . . . 12 ALA . . . . . . 12 ALA . . . c34215_6f7o 1 37 PHI . 1 1 11 11 GLN C C . . 1 1 12 12 ALA N N . . 1 1 12 12 ALA CA C . . 1 1 12 12 ALA C C . -185.0 75.0 . . . A . 11 GLN C . . A . 12 ALA N . . A . 12 ALA CA . . A . 12 ALA C . . . 12 ALA . . . . . . 12 ALA . . . . . . 12 ALA . . . . . . 12 ALA . . . c34215_6f7o 1 38 PSI . 1 1 12 12 ALA N N . . 1 1 12 12 ALA CA C . . 1 1 12 12 ALA C C . . 1 1 13 13 ALA N N . -85.0 205.0 . . . A . 12 ALA N . . A . 12 ALA CA . . A . 12 ALA C . . A . 13 ALA N . . . 12 ALA . . . . . . 12 ALA . . . . . . 12 ALA . . . . . . 12 ALA . . . c34215_6f7o 1 39 PHI . 1 1 12 12 ALA C C . . 1 1 13 13 ALA N N . . 1 1 13 13 ALA CA C . . 1 1 13 13 ALA C C . -315.0 -45.0 . . . A . 12 ALA C . . A . 13 ALA N . . A . 13 ALA CA . . A . 13 ALA C . . . 13 ALA . . . . . . 13 ALA . . . . . . 13 ALA . . . . . . 13 ALA . . . c34215_6f7o 1 40 PHI . 1 1 12 12 ALA C C . . 1 1 13 13 ALA N N . . 1 1 13 13 ALA CA C . . 1 1 13 13 ALA C C . -185.0 75.0 . . . A . 12 ALA C . . A . 13 ALA N . . A . 13 ALA CA . . A . 13 ALA C . . . 13 ALA . . . . . . 13 ALA . . . . . . 13 ALA . . . . . . 13 ALA . . . c34215_6f7o 1 41 PSI . 1 1 13 13 ALA N N . . 1 1 13 13 ALA CA C . . 1 1 13 13 ALA C C . . 1 1 14 14 ARG N N . -85.0 205.0 . . . A . 13 ALA N . . A . 13 ALA CA . . A . 13 ALA C . . A . 14 ARG N . . . 13 ALA . . . . . . 13 ALA . . . . . . 13 ALA . . . . . . 13 ALA . . . c34215_6f7o 1 42 PHI . 1 1 13 13 ALA C C . . 1 1 14 14 ARG N N . . 1 1 14 14 ARG CA C . . 1 1 14 14 ARG C C . -315.0 -45.0 . . . A . 13 ALA C . . A . 14 ARG N . . A . 14 ARG CA . . A . 14 ARG C . . . 14 ARG . . . . . . 14 ARG . . . . . . 14 ARG . . . . . . 14 ARG . . . c34215_6f7o 1 43 PHI . 1 1 13 13 ALA C C . . 1 1 14 14 ARG N N . . 1 1 14 14 ARG CA C . . 1 1 14 14 ARG C C . -185.0 75.0 . . . A . 13 ALA C . . A . 14 ARG N . . A . 14 ARG CA . . A . 14 ARG C . . . 14 ARG . . . . . . 14 ARG . . . . . . 14 ARG . . . . . . 14 ARG . . . c34215_6f7o 1 44 CHI1 . 1 1 14 14 ARG N N . . 1 1 14 14 ARG CA C . . 1 1 14 14 ARG CB C . . 1 1 14 14 ARG CG C . -335.0 -25.0 . . . A . 14 ARG N . . A . 14 ARG CA . . A . 14 ARG CB . . A . 14 ARG CG . . . 14 ARG . . . . . . 14 ARG . . . . . . 14 ARG . . . . . . 14 ARG . . . c34215_6f7o 1 45 CHI1 . 1 1 14 14 ARG N N . . 1 1 14 14 ARG CA C . . 1 1 14 14 ARG CB C . . 1 1 14 14 ARG CG C . -205.0 95.0 . . . A . 14 ARG N . . A . 14 ARG CA . . A . 14 ARG CB . . A . 14 ARG CG . . . 14 ARG . . . . . . 14 ARG . . . . . . 14 ARG . . . . . . 14 ARG . . . c34215_6f7o 1 46 CHI2 . 1 1 14 14 ARG CA C . . 1 1 14 14 ARG CB C . . 1 1 14 14 ARG CG C . . 1 1 14 14 ARG CD C . -325.0 -35.0 . . . A . 14 ARG CA . . A . 14 ARG CB . . A . 14 ARG CG . . A . 14 ARG CD . . . 14 ARG . . . . . . 14 ARG . . . . . . 14 ARG . . . . . . 14 ARG . . . c34215_6f7o 1 47 PSI . 1 1 14 14 ARG N N . . 1 1 14 14 ARG CA C . . 1 1 14 14 ARG C C . . 1 1 15 15 NH2 N N . -85.0 205.0 . . . A . 14 ARG N . . A . 14 ARG CA . . A . 14 ARG C . . A . 15 NH2 N . . . 14 ARG . . . . . . 14 ARG . . . . . . 14 ARG . . . . . . 14 ARG . . . c34215_6f7o 1 stop_ loop_ _TA_constraint_comment_org.ID _TA_constraint_comment_org.Comment_text _TA_constraint_comment_org.Comment_begin_line _TA_constraint_comment_org.Comment_begin_column _TA_constraint_comment_org.Comment_end_line _TA_constraint_comment_org.Comment_end_column _TA_constraint_comment_org.Entry_ID _TA_constraint_comment_org.Torsion_angle_constraint_list_ID 1 'Restraints file 2: A5ST.aco' 1 1 1 29 c34215_6f7o 1 stop_ loop_ _TA_constraint_conv_err.ID _TA_constraint_conv_err.Parse_file_ID _TA_constraint_conv_err.Parse_file_constraint_ID _TA_constraint_conv_err.Conv_error_type _TA_constraint_conv_err.Conv_error_note _TA_constraint_conv_err.Entry_ID _TA_constraint_conv_err.Torsion_angle_constraint_list_ID 1 3 18 1 "Not handling restraint 18, resonance(s) ' .6.N' (nmrStar names) not linked" c34215_6f7o 1 2 3 19 1 "Not handling restraint 19, resonance(s) ' .6.C' (nmrStar names) not linked" c34215_6f7o 1 3 3 36 1 "Not handling restraint 36, resonance(s) ' .10.N' (nmrStar names) not linked" c34215_6f7o 1 4 3 37 1 "Not handling restraint 37, resonance(s) ' .10.C' (nmrStar names) not linked" c34215_6f7o 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 c34215_6f7o _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 SIGNALING PROTEIN 11-DEC-17 6F7O *TITLE NMR STRUCTURE OF AN ODIN-SAM1 STAPLED PEPTIDE *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: ANKYRIN REPEAT AND SAM DOMAIN-CONTAINING PROTEIN 1A; *COMPND 3 CHAIN: A; *COMPND 4 SYNONYM: ODIN; *COMPND 5 ENGINEERED: YES; *COMPND 6 OTHER_DETAILS: FRAGMENT 745-757 OF ANKS1A PROTEIN (UNIPROT ENTRY *COMPND 7 Q92625) WITH R749 AND L753 MUTATED IN MK8 (=(S)-2-(4'-PENTENYL) *COMPND 8 ALANINE ) *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 ORGANISM_SCIENTIFIC: HOMO SAPIENS; *SOURCE 4 ORGANISM_COMMON: HUMAN; *SOURCE 5 ORGANISM_TAXID: 9606 *KEYWDS SAM DOMAIN, STAPLED PEPTIDE, SIGNALING PROTEIN *EXPDTA SOLUTION NMR *NUMMDL 20 *AUTHOR M.LEONE,F.A.MERCURIO *REVDAT 1 01-AUG-18 6F7O 0" save_